data_27194 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27194 _Entry.Title ; Dynamics of Dehaloperoxidase-Hemoglobin A Derived from NMR Relaxation Spectroscopy and Molecular Dynamics Simulation ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-07-28 _Entry.Accession_date 2017-07-28 _Entry.Last_release_date 2017-07-31 _Entry.Original_release_date 2017-07-31 _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 'NMR relaxation experiment for studying protein dynamics of Dehaloperoxidase-hemoglobin' _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 Jing Zhao . . . . 27194 2 Stefan Franzen . . . . 27194 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'North Carolina State University' . 27194 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID heteronucl_NOEs 2 27194 heteronucl_T1_relaxation 2 27194 heteronucl_T2_relaxation 2 27194 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'T1 relaxation values' 240 27194 'T2 relaxation values' 240 27194 'heteronuclear NOE values' 240 27194 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 . . 2023-03-10 2017-07-28 update BMRB 'update entry citation' 27194 1 . . 2017-08-02 2017-07-28 original author 'original release' 27194 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16401 'Separation of Inhibitor and Substrate Binding Locations in the Globin Dehaloperoxidase' 27194 PDB 2QFK . 27194 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27194 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 29407909 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Dynamics of dehaloperoxidase-hemoglobin A derived from NMR relaxation spectroscopy and molecular dynamics simulation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Inorg. Chem.' _Citation.Journal_name_full 'Journal of inorganic biochemistry' _Citation.Journal_volume 181 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1873-3344 _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 65 _Citation.Page_last 73 _Citation.Year 2018 _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 Jing Zhao J. . . . 27194 1 2 Mengjun Xue M. . . . 27194 1 3 Dorota Gudanis D. . . . 27194 1 4 Hanna Gracz H. . . . 27194 1 5 Gerhard Findenegg G. H. . . 27194 1 6 Zofia Gdaniec Z. . . . 27194 1 7 Stefan Franzen S. . . . 27194 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27194 _Assembly.ID 1 _Assembly.Name Dehaloperoxidase-hemoglobin _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Dehaloperoxidase-hemoglobin 1 $Dehaloperoxidase-hemoglobin A . yes native no yes . . . 27194 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Dehaloperoxidase-hemoglobin _Entity.Sf_category entity _Entity.Sf_framecode Dehaloperoxidase-hemoglobin _Entity.Entry_ID 27194 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Dehaloperoxidase-hemoglobin _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 ; GFKQDIATIRGDLRTYAQDI FLAFLNKYPDERRYFKNYVG KSDQELKSMAKFGDHTEKVF NLMMEVADRATDCVPLASDA NTLVQMKQHSSLTTGNFEKL FVALVEYMRASGQSFDSQSW DRFGKNLVSALSSAGMK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 137 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _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 . GLY . 27194 1 2 . PHE . 27194 1 3 . LYS . 27194 1 4 . GLN . 27194 1 5 . ASP . 27194 1 6 . ILE . 27194 1 7 . ALA . 27194 1 8 . THR . 27194 1 9 . ILE . 27194 1 10 . ARG . 27194 1 11 . GLY . 27194 1 12 . ASP . 27194 1 13 . LEU . 27194 1 14 . ARG . 27194 1 15 . THR . 27194 1 16 . TYR . 27194 1 17 . ALA . 27194 1 18 . GLN . 27194 1 19 . ASP . 27194 1 20 . ILE . 27194 1 21 . PHE . 27194 1 22 . LEU . 27194 1 23 . ALA . 27194 1 24 . PHE . 27194 1 25 . LEU . 27194 1 26 . ASN . 27194 1 27 . LYS . 27194 1 28 . TYR . 27194 1 29 . PRO . 27194 1 30 . ASP . 27194 1 31 . GLU . 27194 1 32 . ARG . 27194 1 33 . ARG . 27194 1 34 . TYR . 27194 1 35 . PHE . 27194 1 36 . LYS . 27194 1 37 . ASN . 27194 1 38 . TYR . 27194 1 39 . VAL . 27194 1 40 . GLY . 27194 1 41 . LYS . 27194 1 42 . SER . 27194 1 43 . ASP . 27194 1 44 . GLN . 27194 1 45 . GLU . 27194 1 46 . LEU . 27194 1 47 . LYS . 27194 1 48 . SER . 27194 1 49 . MET . 27194 1 50 . ALA . 27194 1 51 . LYS . 27194 1 52 . PHE . 27194 1 53 . GLY . 27194 1 54 . ASP . 27194 1 55 . HIS . 27194 1 56 . THR . 27194 1 57 . GLU . 27194 1 58 . LYS . 27194 1 59 . VAL . 27194 1 60 . PHE . 27194 1 61 . ASN . 27194 1 62 . LEU . 27194 1 63 . MET . 27194 1 64 . MET . 27194 1 65 . GLU . 27194 1 66 . VAL . 27194 1 67 . ALA . 27194 1 68 . ASP . 27194 1 69 . ARG . 27194 1 70 . ALA . 27194 1 71 . THR . 27194 1 72 . ASP . 27194 1 73 . CYS . 27194 1 74 . VAL . 27194 1 75 . PRO . 27194 1 76 . LEU . 27194 1 77 . ALA . 27194 1 78 . SER . 27194 1 79 . ASP . 27194 1 80 . ALA . 27194 1 81 . ASN . 27194 1 82 . THR . 27194 1 83 . LEU . 27194 1 84 . VAL . 27194 1 85 . GLN . 27194 1 86 . MET . 27194 1 87 . LYS . 27194 1 88 . GLN . 27194 1 89 . HIS . 27194 1 90 . SER . 27194 1 91 . SER . 27194 1 92 . LEU . 27194 1 93 . THR . 27194 1 94 . THR . 27194 1 95 . GLY . 27194 1 96 . ASN . 27194 1 97 . PHE . 27194 1 98 . GLU . 27194 1 99 . LYS . 27194 1 100 . LEU . 27194 1 101 . PHE . 27194 1 102 . VAL . 27194 1 103 . ALA . 27194 1 104 . LEU . 27194 1 105 . VAL . 27194 1 106 . GLU . 27194 1 107 . TYR . 27194 1 108 . MET . 27194 1 109 . ARG . 27194 1 110 . ALA . 27194 1 111 . SER . 27194 1 112 . GLY . 27194 1 113 . GLN . 27194 1 114 . SER . 27194 1 115 . PHE . 27194 1 116 . ASP . 27194 1 117 . SER . 27194 1 118 . GLN . 27194 1 119 . SER . 27194 1 120 . TRP . 27194 1 121 . ASP . 27194 1 122 . ARG . 27194 1 123 . PHE . 27194 1 124 . GLY . 27194 1 125 . LYS . 27194 1 126 . ASN . 27194 1 127 . LEU . 27194 1 128 . VAL . 27194 1 129 . SER . 27194 1 130 . ALA . 27194 1 131 . LEU . 27194 1 132 . SER . 27194 1 133 . SER . 27194 1 134 . ALA . 27194 1 135 . GLY . 27194 1 136 . MET . 27194 1 137 . LYS . 27194 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27194 1 . PHE 2 2 27194 1 . LYS 3 3 27194 1 . GLN 4 4 27194 1 . ASP 5 5 27194 1 . ILE 6 6 27194 1 . ALA 7 7 27194 1 . THR 8 8 27194 1 . ILE 9 9 27194 1 . ARG 10 10 27194 1 . GLY 11 11 27194 1 . ASP 12 12 27194 1 . LEU 13 13 27194 1 . ARG 14 14 27194 1 . THR 15 15 27194 1 . TYR 16 16 27194 1 . ALA 17 17 27194 1 . GLN 18 18 27194 1 . ASP 19 19 27194 1 . ILE 20 20 27194 1 . PHE 21 21 27194 1 . LEU 22 22 27194 1 . ALA 23 23 27194 1 . PHE 24 24 27194 1 . LEU 25 25 27194 1 . ASN 26 26 27194 1 . LYS 27 27 27194 1 . TYR 28 28 27194 1 . PRO 29 29 27194 1 . ASP 30 30 27194 1 . GLU 31 31 27194 1 . ARG 32 32 27194 1 . ARG 33 33 27194 1 . TYR 34 34 27194 1 . PHE 35 35 27194 1 . LYS 36 36 27194 1 . ASN 37 37 27194 1 . TYR 38 38 27194 1 . VAL 39 39 27194 1 . GLY 40 40 27194 1 . LYS 41 41 27194 1 . SER 42 42 27194 1 . ASP 43 43 27194 1 . GLN 44 44 27194 1 . GLU 45 45 27194 1 . LEU 46 46 27194 1 . LYS 47 47 27194 1 . SER 48 48 27194 1 . MET 49 49 27194 1 . ALA 50 50 27194 1 . LYS 51 51 27194 1 . PHE 52 52 27194 1 . GLY 53 53 27194 1 . ASP 54 54 27194 1 . HIS 55 55 27194 1 . THR 56 56 27194 1 . GLU 57 57 27194 1 . LYS 58 58 27194 1 . VAL 59 59 27194 1 . PHE 60 60 27194 1 . ASN 61 61 27194 1 . LEU 62 62 27194 1 . MET 63 63 27194 1 . MET 64 64 27194 1 . GLU 65 65 27194 1 . VAL 66 66 27194 1 . ALA 67 67 27194 1 . ASP 68 68 27194 1 . ARG 69 69 27194 1 . ALA 70 70 27194 1 . THR 71 71 27194 1 . ASP 72 72 27194 1 . CYS 73 73 27194 1 . VAL 74 74 27194 1 . PRO 75 75 27194 1 . LEU 76 76 27194 1 . ALA 77 77 27194 1 . SER 78 78 27194 1 . ASP 79 79 27194 1 . ALA 80 80 27194 1 . ASN 81 81 27194 1 . THR 82 82 27194 1 . LEU 83 83 27194 1 . VAL 84 84 27194 1 . GLN 85 85 27194 1 . MET 86 86 27194 1 . LYS 87 87 27194 1 . GLN 88 88 27194 1 . HIS 89 89 27194 1 . SER 90 90 27194 1 . SER 91 91 27194 1 . LEU 92 92 27194 1 . THR 93 93 27194 1 . THR 94 94 27194 1 . GLY 95 95 27194 1 . ASN 96 96 27194 1 . PHE 97 97 27194 1 . GLU 98 98 27194 1 . LYS 99 99 27194 1 . LEU 100 100 27194 1 . PHE 101 101 27194 1 . VAL 102 102 27194 1 . ALA 103 103 27194 1 . LEU 104 104 27194 1 . VAL 105 105 27194 1 . GLU 106 106 27194 1 . TYR 107 107 27194 1 . MET 108 108 27194 1 . ARG 109 109 27194 1 . ALA 110 110 27194 1 . SER 111 111 27194 1 . GLY 112 112 27194 1 . GLN 113 113 27194 1 . SER 114 114 27194 1 . PHE 115 115 27194 1 . ASP 116 116 27194 1 . SER 117 117 27194 1 . GLN 118 118 27194 1 . SER 119 119 27194 1 . TRP 120 120 27194 1 . ASP 121 121 27194 1 . ARG 122 122 27194 1 . PHE 123 123 27194 1 . GLY 124 124 27194 1 . LYS 125 125 27194 1 . ASN 126 126 27194 1 . LEU 127 127 27194 1 . VAL 128 128 27194 1 . SER 129 129 27194 1 . ALA 130 130 27194 1 . LEU 131 131 27194 1 . SER 132 132 27194 1 . SER 133 133 27194 1 . ALA 134 134 27194 1 . GLY 135 135 27194 1 . MET 136 136 27194 1 . LYS 137 137 27194 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27194 _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 $Dehaloperoxidase-hemoglobin . 129555 organism . 'Amphitrite ornata' 'segmented worms' . . Eukaryota Metazoa Amphitrite ornata . . . . . . . . . . . . . 27194 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27194 _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 $Dehaloperoxidase-hemoglobin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-16b . . . 27194 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27194 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Dehaloperoxidase-hemoglobin '[U-100% 15N]' . . 1 $Dehaloperoxidase-hemoglobin . . 1 . . mM . . . . 27194 1 2 'potassium phosphate buffer' 'natural abundance' . . . . . . 100 . . mM . . . . 27194 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 27194 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 0.1 . M 27194 1 pH 7.0 . pH 27194 1 pressure 1 . atm 27194 1 temperature 273 . K 27194 1 stop_ save_ ############################ # Computer software used # ############################ save_Relax _Software.Sf_category software _Software.Sf_framecode Relax _Software.Entry_ID 27194 _Software.ID 1 _Software.Type . _Software.Name Relax _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'E. d Auvergne' . . 27194 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 27194 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27194 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27194 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 27194 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27194 _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 '2D 1H-15N HSQC' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27194 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 27194 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name . _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral' _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 1 '2D 1H-15N HSQC' . . . 27194 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 GLY N N 15 . 1 1 1 1 GLY H H 1 0.628 0.02072 . . . . . . . . . . 27194 1 2 . 1 1 2 2 PHE N N 15 . 1 1 2 2 PHE H H 1 0.739 0.01644 . . . . . . . . . . 27194 1 3 . 1 1 3 3 LYS N N 15 . 1 1 3 3 LYS H H 1 0.815 0.02061 . . . . . . . . . . 27194 1 4 . 1 1 4 4 GLN N N 15 . 1 1 4 4 GLN H H 1 0.715 0.01347 . . . . . . . . . . 27194 1 5 . 1 1 5 5 ASP N N 15 . 1 1 5 5 ASP H H 1 0.716 0.01596 . . . . . . . . . . 27194 1 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.787 0.02238 . . . . . . . . . . 27194 1 7 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.779 0.01802 . . . . . . . . . . 27194 1 8 . 1 1 8 8 THR N N 15 . 1 1 8 8 THR H H 1 0.801 0.01307 . . . . . . . . . . 27194 1 9 . 1 1 9 9 ILE N N 15 . 1 1 9 9 ILE H H 1 0.767 0.01653 . . . . . . . . . . 27194 1 10 . 1 1 10 10 ARG N N 15 . 1 1 10 10 ARG H H 1 0.727 0.02741 . . . . . . . . . . 27194 1 11 . 1 1 11 11 GLY N N 15 . 1 1 11 11 GLY H H 1 0.721 0.01187 . . . . . . . . . . 27194 1 12 . 1 1 12 12 ASP N N 15 . 1 1 12 12 ASP H H 1 0.749 0.01099 . . . . . . . . . . 27194 1 13 . 1 1 13 13 LEU N N 15 . 1 1 13 13 LEU H H 1 0.775 0.0118 . . . . . . . . . . 27194 1 14 . 1 1 14 14 ARG N N 15 . 1 1 14 14 ARG H H 1 0.855 0.0147 . . . . . . . . . . 27194 1 15 . 1 1 15 15 THR N N 15 . 1 1 15 15 THR H H 1 0.781 0.01389 . . . . . . . . . . 27194 1 16 . 1 1 16 16 TYR N N 15 . 1 1 16 16 TYR H H 1 0.785 0.01278 . . . . . . . . . . 27194 1 17 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 0.801 0.009211 . . . . . . . . . . 27194 1 18 . 1 1 18 18 GLN N N 15 . 1 1 18 18 GLN H H 1 0.779 0.01347 . . . . . . . . . . 27194 1 19 . 1 1 19 19 ASP N N 15 . 1 1 19 19 ASP H H 1 0.766 0.01281 . . . . . . . . . . 27194 1 20 . 1 1 20 20 ILE N N 15 . 1 1 20 20 ILE H H 1 0.787 0.01499 . . . . . . . . . . 27194 1 21 . 1 1 21 21 PHE N N 15 . 1 1 21 21 PHE H H 1 0.827 0.0142 . . . . . . . . . . 27194 1 22 . 1 1 22 22 LEU N N 15 . 1 1 22 22 LEU H H 1 0.766 0.01504 . . . . . . . . . . 27194 1 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.688 0.01226 . . . . . . . . . . 27194 1 24 . 1 1 24 24 PHE N N 15 . 1 1 24 24 PHE H H 1 0.745 0.01266 . . . . . . . . . . 27194 1 25 . 1 1 25 25 LEU N N 15 . 1 1 25 25 LEU H H 1 0.847 0.01706 . . . . . . . . . . 27194 1 26 . 1 1 26 26 ASN N N 15 . 1 1 26 26 ASN H H 1 0.739 0.01268 . . . . . . . . . . 27194 1 27 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.752 0.01246 . . . . . . . . . . 27194 1 28 . 1 1 28 28 TYR N N 15 . 1 1 28 28 TYR H H 1 0.747 0.01273 . . . . . . . . . . 27194 1 29 . 1 1 30 30 ASP N N 15 . 1 1 30 30 ASP H H 1 0.791 0.01348 . . . . . . . . . . 27194 1 30 . 1 1 32 32 ARG N N 15 . 1 1 32 32 ARG H H 1 0.812 0.01512 . . . . . . . . . . 27194 1 31 . 1 1 33 33 ARG N N 15 . 1 1 33 33 ARG H H 1 0.82 0.01514 . . . . . . . . . . 27194 1 32 . 1 1 34 34 TYR N N 15 . 1 1 34 34 TYR H H 1 0.763 0.01589 . . . . . . . . . . 27194 1 33 . 1 1 38 38 TYR N N 15 . 1 1 38 38 TYR H H 1 0.77 0.01905 . . . . . . . . . . 27194 1 34 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.739 0.01221 . . . . . . . . . . 27194 1 35 . 1 1 41 41 LYS N N 15 . 1 1 41 41 LYS H H 1 0.785 0.01249 . . . . . . . . . . 27194 1 36 . 1 1 42 42 SER N N 15 . 1 1 42 42 SER H H 1 0.85 0.0185 . . . . . . . . . . 27194 1 37 . 1 1 43 43 ASP N N 15 . 1 1 43 43 ASP H H 1 0.79 0.01464 . . . . . . . . . . 27194 1 38 . 1 1 44 44 GLN N N 15 . 1 1 44 44 GLN H H 1 0.776 0.01094 . . . . . . . . . . 27194 1 39 . 1 1 45 45 GLU N N 15 . 1 1 45 45 GLU H H 1 0.773 0.01212 . . . . . . . . . . 27194 1 40 . 1 1 47 47 LYS N N 15 . 1 1 47 47 LYS H H 1 0.729 0.01227 . . . . . . . . . . 27194 1 41 . 1 1 48 48 SER N N 15 . 1 1 48 48 SER H H 1 0.699 0.01352 . . . . . . . . . . 27194 1 42 . 1 1 49 49 MET N N 15 . 1 1 49 49 MET H H 1 0.798 0.01533 . . . . . . . . . . 27194 1 43 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.797 0.01531 . . . . . . . . . . 27194 1 44 . 1 1 53 53 GLY N N 15 . 1 1 53 53 GLY H H 1 0.762 0.01441 . . . . . . . . . . 27194 1 45 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.718 0.01148 . . . . . . . . . . 27194 1 46 . 1 1 55 55 HIS N N 15 . 1 1 55 55 HIS H H 1 0.754 0.01474 . . . . . . . . . . 27194 1 47 . 1 1 56 56 THR N N 15 . 1 1 56 56 THR H H 1 0.823 0.01841 . . . . . . . . . . 27194 1 48 . 1 1 57 57 GLU N N 15 . 1 1 57 57 GLU H H 1 0.788 0.01362 . . . . . . . . . . 27194 1 49 . 1 1 58 58 LYS N N 15 . 1 1 58 58 LYS H H 1 0.828 0.0148 . . . . . . . . . . 27194 1 50 . 1 1 59 59 VAL N N 15 . 1 1 59 59 VAL H H 1 0.767 0.01729 . . . . . . . . . . 27194 1 51 . 1 1 60 60 PHE N N 15 . 1 1 60 60 PHE H H 1 0.762 0.01429 . . . . . . . . . . 27194 1 52 . 1 1 61 61 ASN N N 15 . 1 1 61 61 ASN H H 1 0.718 0.006284 . . . . . . . . . . 27194 1 53 . 1 1 62 62 LEU N N 15 . 1 1 62 62 LEU H H 1 0.785 0.0152 . . . . . . . . . . 27194 1 54 . 1 1 63 63 MET N N 15 . 1 1 63 63 MET H H 1 0.839 0.01581 . . . . . . . . . . 27194 1 55 . 1 1 64 64 MET N N 15 . 1 1 64 64 MET H H 1 0.798 0.01533 . . . . . . . . . . 27194 1 56 . 1 1 65 65 GLU N N 15 . 1 1 65 65 GLU H H 1 0.79 0.01437 . . . . . . . . . . 27194 1 57 . 1 1 66 66 VAL N N 15 . 1 1 66 66 VAL H H 1 0.818 0.01257 . . . . . . . . . . 27194 1 58 . 1 1 67 67 ALA N N 15 . 1 1 67 67 ALA H H 1 0.779 0.01341 . . . . . . . . . . 27194 1 59 . 1 1 68 68 ASP N N 15 . 1 1 68 68 ASP H H 1 0.759 0.01875 . . . . . . . . . . 27194 1 60 . 1 1 69 69 ARG N N 15 . 1 1 69 69 ARG H H 1 0.751 0.01554 . . . . . . . . . . 27194 1 61 . 1 1 70 70 ALA N N 15 . 1 1 70 70 ALA H H 1 0.76 0.01584 . . . . . . . . . . 27194 1 62 . 1 1 71 71 THR N N 15 . 1 1 71 71 THR H H 1 0.358 0.01203 . . . . . . . . . . 27194 1 63 . 1 1 73 73 CYS N N 15 . 1 1 73 73 CYS H H 1 0.748 0.02227 . . . . . . . . . . 27194 1 64 . 1 1 74 74 VAL N N 15 . 1 1 74 74 VAL H H 1 0.781 0.01631 . . . . . . . . . . 27194 1 65 . 1 1 76 76 LEU N N 15 . 1 1 76 76 LEU H H 1 0.796 0.02388 . . . . . . . . . . 27194 1 66 . 1 1 77 77 ALA N N 15 . 1 1 77 77 ALA H H 1 0.845 0.02426 . . . . . . . . . . 27194 1 67 . 1 1 79 79 ASP N N 15 . 1 1 79 79 ASP H H 1 0.786 0.01483 . . . . . . . . . . 27194 1 68 . 1 1 80 80 ALA N N 15 . 1 1 80 80 ALA H H 1 0.781 0.01664 . . . . . . . . . . 27194 1 69 . 1 1 81 81 ASN N N 15 . 1 1 81 81 ASN H H 1 0.793 0.01481 . . . . . . . . . . 27194 1 70 . 1 1 82 82 THR N N 15 . 1 1 82 82 THR H H 1 0.76 0.01494 . . . . . . . . . . 27194 1 71 . 1 1 83 83 LEU N N 15 . 1 1 83 83 LEU H H 1 0.774 0.01672 . . . . . . . . . . 27194 1 72 . 1 1 84 84 VAL N N 15 . 1 1 84 84 VAL H H 1 0.812 0.01704 . . . . . . . . . . 27194 1 73 . 1 1 85 85 GLN N N 15 . 1 1 85 85 GLN H H 1 0.803 0.0172 . . . . . . . . . . 27194 1 74 . 1 1 86 86 MET N N 15 . 1 1 86 86 MET H H 1 0.781 0.01372 . . . . . . . . . . 27194 1 75 . 1 1 88 88 GLN N N 15 . 1 1 88 88 GLN H H 1 0.759 0.02114 . . . . . . . . . . 27194 1 76 . 1 1 89 89 HIS N N 15 . 1 1 89 89 HIS H H 1 0.766 0.0278 . . . . . . . . . . 27194 1 77 . 1 1 90 90 SER N N 15 . 1 1 90 90 SER H H 1 0.754 0.01147 . . . . . . . . . . 27194 1 78 . 1 1 92 92 LEU N N 15 . 1 1 92 92 LEU H H 1 0.806 0.0165 . . . . . . . . . . 27194 1 79 . 1 1 93 93 THR N N 15 . 1 1 93 93 THR H H 1 0.783 0.01724 . . . . . . . . . . 27194 1 80 . 1 1 94 94 THR N N 15 . 1 1 94 94 THR H H 1 0.803 0.01871 . . . . . . . . . . 27194 1 81 . 1 1 95 95 GLY N N 15 . 1 1 95 95 GLY H H 1 0.828 0.01666 . . . . . . . . . . 27194 1 82 . 1 1 96 96 ASN N N 15 . 1 1 96 96 ASN H H 1 0.769 0.01257 . . . . . . . . . . 27194 1 83 . 1 1 97 97 PHE N N 15 . 1 1 97 97 PHE H H 1 0.808 0.0204 . . . . . . . . . . 27194 1 84 . 1 1 98 98 GLU N N 15 . 1 1 98 98 GLU H H 1 0.738 0.01176 . . . . . . . . . . 27194 1 85 . 1 1 99 99 LYS N N 15 . 1 1 99 99 LYS H H 1 0.788 0.01909 . . . . . . . . . . 27194 1 86 . 1 1 100 100 LEU N N 15 . 1 1 100 100 LEU H H 1 0.824 0.01557 . . . . . . . . . . 27194 1 87 . 1 1 101 101 PHE N N 15 . 1 1 101 101 PHE H H 1 0.768 0.01409 . . . . . . . . . . 27194 1 88 . 1 1 102 102 VAL N N 15 . 1 1 102 102 VAL H H 1 0.729 0.01623 . . . . . . . . . . 27194 1 89 . 1 1 103 103 ALA N N 15 . 1 1 103 103 ALA H H 1 0.707 0.01458 . . . . . . . . . . 27194 1 90 . 1 1 104 104 LEU N N 15 . 1 1 104 104 LEU H H 1 0.748 0.009462 . . . . . . . . . . 27194 1 91 . 1 1 105 105 VAL N N 15 . 1 1 105 105 VAL H H 1 0.603 0.01336 . . . . . . . . . . 27194 1 92 . 1 1 106 106 GLU N N 15 . 1 1 106 106 GLU H H 1 0.719 0.01304 . . . . . . . . . . 27194 1 93 . 1 1 107 107 TYR N N 15 . 1 1 107 107 TYR H H 1 0.69 0.0159 . . . . . . . . . . 27194 1 94 . 1 1 108 108 MET N N 15 . 1 1 108 108 MET H H 1 0.723 0.01751 . . . . . . . . . . 27194 1 95 . 1 1 109 109 ARG N N 15 . 1 1 109 109 ARG H H 1 0.778 0.01017 . . . . . . . . . . 27194 1 96 . 1 1 110 110 ALA N N 15 . 1 1 110 110 ALA H H 1 0.776 0.01169 . . . . . . . . . . 27194 1 97 . 1 1 112 112 GLY N N 15 . 1 1 112 112 GLY H H 1 0.671 0.02546 . . . . . . . . . . 27194 1 98 . 1 1 113 113 GLN N N 15 . 1 1 113 113 GLN H H 1 0.692 0.02035 . . . . . . . . . . 27194 1 99 . 1 1 115 115 PHE N N 15 . 1 1 115 115 PHE H H 1 0.424 0.009007 . . . . . . . . . . 27194 1 100 . 1 1 116 116 ASP N N 15 . 1 1 116 116 ASP H H 1 0.783 0.02075 . . . . . . . . . . 27194 1 101 . 1 1 117 117 SER N N 15 . 1 1 117 117 SER H H 1 0.761 0.01266 . . . . . . . . . . 27194 1 102 . 1 1 118 118 GLN N N 15 . 1 1 118 118 GLN H H 1 0.804 0.01327 . . . . . . . . . . 27194 1 103 . 1 1 119 119 SER N N 15 . 1 1 119 119 SER H H 1 0.826 0.0157 . . . . . . . . . . 27194 1 104 . 1 1 120 120 TRP N N 15 . 1 1 120 120 TRP H H 1 0.756 0.02187 . . . . . . . . . . 27194 1 105 . 1 1 121 121 ASP N N 15 . 1 1 121 121 ASP H H 1 0.75 0.01665 . . . . . . . . . . 27194 1 106 . 1 1 122 122 ARG N N 15 . 1 1 122 122 ARG H H 1 0.77 0.01693 . . . . . . . . . . 27194 1 107 . 1 1 124 124 GLY N N 15 . 1 1 124 124 GLY H H 1 0.765 0.01689 . . . . . . . . . . 27194 1 108 . 1 1 125 125 LYS N N 15 . 1 1 125 125 LYS H H 1 0.709 0.01885 . . . . . . . . . . 27194 1 109 . 1 1 126 126 ASN N N 15 . 1 1 126 126 ASN H H 1 0.794 0.01439 . . . . . . . . . . 27194 1 110 . 1 1 127 127 LEU N N 15 . 1 1 127 127 LEU H H 1 0.766 0.01495 . . . . . . . . . . 27194 1 111 . 1 1 128 128 VAL N N 15 . 1 1 128 128 VAL H H 1 0.714 0.01542 . . . . . . . . . . 27194 1 112 . 1 1 129 129 SER N N 15 . 1 1 129 129 SER H H 1 0.739 0.01205 . . . . . . . . . . 27194 1 113 . 1 1 130 130 ALA N N 15 . 1 1 130 130 ALA H H 1 0.771 0.01022 . . . . . . . . . . 27194 1 114 . 1 1 131 131 LEU N N 15 . 1 1 131 131 LEU H H 1 0.737 0.01709 . . . . . . . . . . 27194 1 115 . 1 1 132 132 SER N N 15 . 1 1 132 132 SER H H 1 0.77 0.01234 . . . . . . . . . . 27194 1 116 . 1 1 133 133 SER N N 15 . 1 1 133 133 SER H H 1 0.667 0.01818 . . . . . . . . . . 27194 1 117 . 1 1 134 134 ALA N N 15 . 1 1 134 134 ALA H H 1 0.745 0.0126 . . . . . . . . . . 27194 1 118 . 1 1 135 135 GLY N N 15 . 1 1 135 135 GLY H H 1 0.798 0.01246 . . . . . . . . . . 27194 1 119 . 1 1 136 136 MET N N 15 . 1 1 136 136 MET H H 1 0.752 0.01687 . . . . . . . . . . 27194 1 120 . 1 1 137 137 LYS N N 15 . 1 1 137 137 LYS H H 1 0.68 0.01547 . . . . . . . . . . 27194 1 stop_ save_ save_heteronuclear_noe_list_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_2 _Heteronucl_NOE_list.Entry_ID 27194 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name . _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 700 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral' _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 1 '2D 1H-15N HSQC' . . . 27194 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 GLY N N 15 . 1 1 1 1 GLY H H 1 0.703 0.01319 . . . . . . . . . . 27194 2 2 . 1 1 2 2 PHE N N 15 . 1 1 2 2 PHE H H 1 0.72 0.01167 . . . . . . . . . . 27194 2 3 . 1 1 3 3 LYS N N 15 . 1 1 3 3 LYS H H 1 0.775 0.01592 . . . . . . . . . . 27194 2 4 . 1 1 4 4 GLN N N 15 . 1 1 4 4 GLN H H 1 0.76 0.009443 . . . . . . . . . . 27194 2 5 . 1 1 5 5 ASP N N 15 . 1 1 5 5 ASP H H 1 0.789 0.0122 . . . . . . . . . . 27194 2 6 . 1 1 6 6 ILE N N 15 . 1 1 6 6 ILE H H 1 0.811 0.01971 . . . . . . . . . . 27194 2 7 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.818 0.012 . . . . . . . . . . 27194 2 8 . 1 1 8 8 THR N N 15 . 1 1 8 8 THR H H 1 0.951 0.009487 . . . . . . . . . . 27194 2 9 . 1 1 9 9 ILE N N 15 . 1 1 9 9 ILE H H 1 0.761 0.01143 . . . . . . . . . . 27194 2 10 . 1 1 10 10 ARG N N 15 . 1 1 10 10 ARG H H 1 0.883 0.01217 . . . . . . . . . . 27194 2 11 . 1 1 11 11 GLY N N 15 . 1 1 11 11 GLY H H 1 0.773 0.009034 . . . . . . . . . . 27194 2 12 . 1 1 12 12 ASP N N 15 . 1 1 12 12 ASP H H 1 0.787 0.008527 . . . . . . . . . . 27194 2 13 . 1 1 13 13 LEU N N 15 . 1 1 13 13 LEU H H 1 0.832 0.005214 . . . . . . . . . . 27194 2 14 . 1 1 14 14 ARG N N 15 . 1 1 14 14 ARG H H 1 0.795 0.005559 . . . . . . . . . . 27194 2 15 . 1 1 15 15 THR N N 15 . 1 1 15 15 THR H H 1 0.809 0.006724 . . . . . . . . . . 27194 2 16 . 1 1 16 16 TYR N N 15 . 1 1 16 16 TYR H H 1 0.797 0.01083 . . . . . . . . . . 27194 2 17 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 0.819 0.005239 . . . . . . . . . . 27194 2 18 . 1 1 18 18 GLN N N 15 . 1 1 18 18 GLN H H 1 0.808 0.00579 . . . . . . . . . . 27194 2 19 . 1 1 19 19 ASP N N 15 . 1 1 19 19 ASP H H 1 0.801 0.05339 . . . . . . . . . . 27194 2 20 . 1 1 20 20 ILE N N 15 . 1 1 20 20 ILE H H 1 0.77 0.009493 . . . . . . . . . . 27194 2 21 . 1 1 21 21 PHE N N 15 . 1 1 21 21 PHE H H 1 0.845 0.00865 . . . . . . . . . . 27194 2 22 . 1 1 22 22 LEU N N 15 . 1 1 22 22 LEU H H 1 0.895 0.006867 . . . . . . . . . . 27194 2 23 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.839 0.005174 . . . . . . . . . . 27194 2 24 . 1 1 24 24 PHE N N 15 . 1 1 24 24 PHE H H 1 0.887 0.006339 . . . . . . . . . . 27194 2 25 . 1 1 25 25 LEU N N 15 . 1 1 25 25 LEU H H 1 0.786 0.01058 . . . . . . . . . . 27194 2 26 . 1 1 26 26 ASN N N 15 . 1 1 26 26 ASN H H 1 0.811 0.005855 . . . . . . . . . . 27194 2 27 . 1 1 27 27 LYS N N 15 . 1 1 27 27 LYS H H 1 0.853 0.007297 . . . . . . . . . . 27194 2 28 . 1 1 28 28 TYR N N 15 . 1 1 28 28 TYR H H 1 0.808 0.008773 . . . . . . . . . . 27194 2 29 . 1 1 30 30 ASP N N 15 . 1 1 30 30 ASP H H 1 0.875 0.006394 . . . . . . . . . . 27194 2 30 . 1 1 32 32 ARG N N 15 . 1 1 32 32 ARG H H 1 0.798 0.007782 . . . . . . . . . . 27194 2 31 . 1 1 33 33 ARG N N 15 . 1 1 33 33 ARG H H 1 0.84 0.008927 . . . . . . . . . . 27194 2 32 . 1 1 34 34 TYR N N 15 . 1 1 34 34 TYR H H 1 0.849 0.006739 . . . . . . . . . . 27194 2 33 . 1 1 38 38 TYR N N 15 . 1 1 38 38 TYR H H 1 0.846 0.009779 . . . . . . . . . . 27194 2 34 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.8 0.01067 . . . . . . . . . . 27194 2 35 . 1 1 41 41 LYS N N 15 . 1 1 41 41 LYS H H 1 0.814 0.006204 . . . . . . . . . . 27194 2 36 . 1 1 42 42 SER N N 15 . 1 1 42 42 SER H H 1 0.802 0.00914 . . . . . . . . . . 27194 2 37 . 1 1 43 43 ASP N N 15 . 1 1 43 43 ASP H H 1 0.845 0.005167 . . . . . . . . . . 27194 2 38 . 1 1 44 44 GLN N N 15 . 1 1 44 44 GLN H H 1 0.841 0.00549 . . . . . . . . . . 27194 2 39 . 1 1 45 45 GLU N N 15 . 1 1 45 45 GLU H H 1 0.812 0.005867 . . . . . . . . . . 27194 2 40 . 1 1 47 47 LYS N N 15 . 1 1 47 47 LYS H H 1 0.816 0.00586 . . . . . . . . . . 27194 2 41 . 1 1 48 48 SER N N 15 . 1 1 48 48 SER H H 1 0.785 0.004259 . . . . . . . . . . 27194 2 42 . 1 1 49 49 MET N N 15 . 1 1 49 49 MET H H 1 0.808 0.004356 . . . . . . . . . . 27194 2 43 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.878 0.007219 . . . . . . . . . . 27194 2 44 . 1 1 53 53 GLY N N 15 . 1 1 53 53 GLY H H 1 0.84 0.008744 . . . . . . . . . . 27194 2 45 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.821 0.006686 . . . . . . . . . . 27194 2 46 . 1 1 55 55 HIS N N 15 . 1 1 55 55 HIS H H 1 0.802 0.008528 . . . . . . . . . . 27194 2 47 . 1 1 56 56 THR N N 15 . 1 1 56 56 THR H H 1 0.856 0.008769 . . . . . . . . . . 27194 2 48 . 1 1 57 57 GLU N N 15 . 1 1 57 57 GLU H H 1 0.877 0.006843 . . . . . . . . . . 27194 2 49 . 1 1 58 58 LYS N N 15 . 1 1 58 58 LYS H H 1 0.792 0.009733 . . . . . . . . . . 27194 2 50 . 1 1 59 59 VAL N N 15 . 1 1 59 59 VAL H H 1 0.832 0.01484 . . . . . . . . . . 27194 2 51 . 1 1 60 60 PHE N N 15 . 1 1 60 60 PHE H H 1 0.798 0.01299 . . . . . . . . . . 27194 2 52 . 1 1 61 61 ASN N N 15 . 1 1 61 61 ASN H H 1 0.862 0.004931 . . . . . . . . . . 27194 2 53 . 1 1 62 62 LEU N N 15 . 1 1 62 62 LEU H H 1 0.846 0.0092 . . . . . . . . . . 27194 2 54 . 1 1 63 63 MET N N 15 . 1 1 63 63 MET H H 1 0.839 0.01181 . . . . . . . . . . 27194 2 55 . 1 1 64 64 MET N N 15 . 1 1 64 64 MET H H 1 0.849 0.00972 . . . . . . . . . . 27194 2 56 . 1 1 65 65 GLU N N 15 . 1 1 65 65 GLU H H 1 0.908 0.01015 . . . . . . . . . . 27194 2 57 . 1 1 66 66 VAL N N 15 . 1 1 66 66 VAL H H 1 0.854 0.008395 . . . . . . . . . . 27194 2 58 . 1 1 67 67 ALA N N 15 . 1 1 67 67 ALA H H 1 0.823 0.009948 . . . . . . . . . . 27194 2 59 . 1 1 68 68 ASP N N 15 . 1 1 68 68 ASP H H 1 0.851 0.007584 . . . . . . . . . . 27194 2 60 . 1 1 69 69 ARG N N 15 . 1 1 69 69 ARG H H 1 0.932 0.01497 . . . . . . . . . . 27194 2 61 . 1 1 70 70 ALA N N 15 . 1 1 70 70 ALA H H 1 0.845 0.008613 . . . . . . . . . . 27194 2 62 . 1 1 71 71 THR N N 15 . 1 1 71 71 THR H H 1 0.39 0.04248 . . . . . . . . . . 27194 2 63 . 1 1 73 73 CYS N N 15 . 1 1 73 73 CYS H H 1 0.696 0.01324 . . . . . . . . . . 27194 2 64 . 1 1 74 74 VAL N N 15 . 1 1 74 74 VAL H H 1 0.793 0.009918 . . . . . . . . . . 27194 2 65 . 1 1 76 76 LEU N N 15 . 1 1 76 76 LEU H H 1 0.897 0.02576 . . . . . . . . . . 27194 2 66 . 1 1 77 77 ALA N N 15 . 1 1 77 77 ALA H H 1 0.833 0.01362 . . . . . . . . . . 27194 2 67 . 1 1 79 79 ASP N N 15 . 1 1 79 79 ASP H H 1 0.904 0.01625 . . . . . . . . . . 27194 2 68 . 1 1 80 80 ALA N N 15 . 1 1 80 80 ALA H H 1 0.85 0.008793 . . . . . . . . . . 27194 2 69 . 1 1 81 81 ASN N N 15 . 1 1 81 81 ASN H H 1 0.847 0.007496 . . . . . . . . . . 27194 2 70 . 1 1 82 82 THR N N 15 . 1 1 82 82 THR H H 1 0.882 0.008056 . . . . . . . . . . 27194 2 71 . 1 1 83 83 LEU N N 15 . 1 1 83 83 LEU H H 1 0.815 0.01461 . . . . . . . . . . 27194 2 72 . 1 1 84 84 VAL N N 15 . 1 1 84 84 VAL H H 1 0.896 0.009546 . . . . . . . . . . 27194 2 73 . 1 1 85 85 GLN N N 15 . 1 1 85 85 GLN H H 1 0.808 0.01315 . . . . . . . . . . 27194 2 74 . 1 1 86 86 MET N N 15 . 1 1 86 86 MET H H 1 0.821 0.007542 . . . . . . . . . . 27194 2 75 . 1 1 88 88 GLN N N 15 . 1 1 88 88 GLN H H 1 0.822 0.01066 . . . . . . . . . . 27194 2 76 . 1 1 89 89 HIS N N 15 . 1 1 89 89 HIS H H 1 0.775 0.0248 . . . . . . . . . . 27194 2 77 . 1 1 90 90 SER N N 15 . 1 1 90 90 SER H H 1 0.802 0.007433 . . . . . . . . . . 27194 2 78 . 1 1 92 92 LEU N N 15 . 1 1 92 92 LEU H H 1 0.874 0.009169 . . . . . . . . . . 27194 2 79 . 1 1 93 93 THR N N 15 . 1 1 93 93 THR H H 1 0.795 0.01316 . . . . . . . . . . 27194 2 80 . 1 1 94 94 THR N N 15 . 1 1 94 94 THR H H 1 0.892 0.009819 . . . . . . . . . . 27194 2 81 . 1 1 95 95 GLY N N 15 . 1 1 95 95 GLY H H 1 0.832 0.007406 . . . . . . . . . . 27194 2 82 . 1 1 96 96 ASN N N 15 . 1 1 96 96 ASN H H 1 0.728 0.008022 . . . . . . . . . . 27194 2 83 . 1 1 97 97 PHE N N 15 . 1 1 97 97 PHE H H 1 0.806 0.009749 . . . . . . . . . . 27194 2 84 . 1 1 98 98 GLU N N 15 . 1 1 98 98 GLU H H 1 0.88 0.008856 . . . . . . . . . . 27194 2 85 . 1 1 99 99 LYS N N 15 . 1 1 99 99 LYS H H 1 0.874 0.00813 . . . . . . . . . . 27194 2 86 . 1 1 100 100 LEU N N 15 . 1 1 100 100 LEU H H 1 0.881 0.007447 . . . . . . . . . . 27194 2 87 . 1 1 101 101 PHE N N 15 . 1 1 101 101 PHE H H 1 0.791 0.01003 . . . . . . . . . . 27194 2 88 . 1 1 102 102 VAL N N 15 . 1 1 102 102 VAL H H 1 0.773 0.007405 . . . . . . . . . . 27194 2 89 . 1 1 103 103 ALA N N 15 . 1 1 103 103 ALA H H 1 0.815 0.005837 . . . . . . . . . . 27194 2 90 . 1 1 104 104 LEU N N 15 . 1 1 104 104 LEU H H 1 0.786 0.006517 . . . . . . . . . . 27194 2 91 . 1 1 105 105 VAL N N 15 . 1 1 105 105 VAL H H 1 0.711 0.008131 . . . . . . . . . . 27194 2 92 . 1 1 106 106 GLU N N 15 . 1 1 106 106 GLU H H 1 0.589 0.05258 . . . . . . . . . . 27194 2 93 . 1 1 107 107 TYR N N 15 . 1 1 107 107 TYR H H 1 0.879 0.007243 . . . . . . . . . . 27194 2 94 . 1 1 108 108 MET N N 15 . 1 1 108 108 MET H H 1 0.893 0.009059 . . . . . . . . . . 27194 2 95 . 1 1 109 109 ARG N N 15 . 1 1 109 109 ARG H H 1 0.877 0.006145 . . . . . . . . . . 27194 2 96 . 1 1 110 110 ALA N N 15 . 1 1 110 110 ALA H H 1 0.896 0.007099 . . . . . . . . . . 27194 2 97 . 1 1 112 112 GLY N N 15 . 1 1 112 112 GLY H H 1 0.77 0.01066 . . . . . . . . . . 27194 2 98 . 1 1 113 113 GLN N N 15 . 1 1 113 113 GLN H H 1 0.722 0.007997 . . . . . . . . . . 27194 2 99 . 1 1 115 115 PHE N N 15 . 1 1 115 115 PHE H H 1 0.469 0.007845 . . . . . . . . . . 27194 2 100 . 1 1 116 116 ASP N N 15 . 1 1 116 116 ASP H H 1 0.874 0.01698 . . . . . . . . . . 27194 2 101 . 1 1 117 117 SER N N 15 . 1 1 117 117 SER H H 1 0.884 0.00958 . . . . . . . . . . 27194 2 102 . 1 1 118 118 GLN N N 15 . 1 1 118 118 GLN H H 1 0.885 0.009301 . . . . . . . . . . 27194 2 103 . 1 1 119 119 SER N N 15 . 1 1 119 119 SER H H 1 0.848 0.008662 . . . . . . . . . . 27194 2 104 . 1 1 120 120 TRP N N 15 . 1 1 120 120 TRP H H 1 0.881 0.01155 . . . . . . . . . . 27194 2 105 . 1 1 121 121 ASP N N 15 . 1 1 121 121 ASP H H 1 0.826 0.0129 . . . . . . . . . . 27194 2 106 . 1 1 122 122 ARG N N 15 . 1 1 122 122 ARG H H 1 0.911 0.01159 . . . . . . . . . . 27194 2 107 . 1 1 124 124 GLY N N 15 . 1 1 124 124 GLY H H 1 0.808 0.011 . . . . . . . . . . 27194 2 108 . 1 1 125 125 LYS N N 15 . 1 1 125 125 LYS H H 1 0.87 0.009587 . . . . . . . . . . 27194 2 109 . 1 1 126 126 ASN N N 15 . 1 1 126 126 ASN H H 1 0.87 0.01282 . . . . . . . . . . 27194 2 110 . 1 1 127 127 LEU N N 15 . 1 1 127 127 LEU H H 1 0.866 0.01245 . . . . . . . . . . 27194 2 111 . 1 1 128 128 VAL N N 15 . 1 1 128 128 VAL H H 1 0.972 0.01122 . . . . . . . . . . 27194 2 112 . 1 1 129 129 SER N N 15 . 1 1 129 129 SER H H 1 0.845 0.006474 . . . . . . . . . . 27194 2 113 . 1 1 130 130 ALA N N 15 . 1 1 130 130 ALA H H 1 0.814 0.01051 . . . . . . . . . . 27194 2 114 . 1 1 131 131 LEU N N 15 . 1 1 131 131 LEU H H 1 0.867 0.01162 . . . . . . . . . . 27194 2 115 . 1 1 132 132 SER N N 15 . 1 1 132 132 SER H H 1 0.852 0.008745 . . . . . . . . . . 27194 2 116 . 1 1 133 133 SER N N 15 . 1 1 133 133 SER H H 1 0.842 0.006099 . . . . . . . . . . 27194 2 117 . 1 1 134 134 ALA N N 15 . 1 1 134 134 ALA H H 1 0.768 0.006077 . . . . . . . . . . 27194 2 118 . 1 1 135 135 GLY N N 15 . 1 1 135 135 GLY H H 1 0.804 0.01014 . . . . . . . . . . 27194 2 119 . 1 1 136 136 MET N N 15 . 1 1 136 136 MET H H 1 0.811 0.008017 . . . . . . . . . . 27194 2 120 . 1 1 137 137 LYS N N 15 . 1 1 137 137 LYS H H 1 0.712 0.005953 . . . . . . . . . . 27194 2 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 27194 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name . _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Iz _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 1 '2D 1H-15N HSQC' . . . 27194 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 GLY N N 15 1.736111111 0.141996528 . . . . . 27194 1 2 . 1 1 2 2 PHE N N 15 1.582278481 0.105537975 . . . . . 27194 1 3 . 1 1 3 3 LYS N N 15 1.538461538 0.094969231 . . . . . 27194 1 4 . 1 1 4 4 GLN N N 15 1.602564103 0.05375 . . . . . 27194 1 5 . 1 1 5 5 ASP N N 15 1.592356688 0.104171975 . . . . . 27194 1 6 . 1 1 6 6 ILE N N 15 1.524390244 0.111890244 . . . . . 27194 1 7 . 1 1 7 7 ALA N N 15 1.564945227 0.062769953 . . . . . 27194 1 8 . 1 1 8 8 THR N N 15 1.552795031 0.104518634 . . . . . 27194 1 9 . 1 1 9 9 ILE N N 15 1.642036125 0.10816092 . . . . . 27194 1 10 . 1 1 10 10 ARG N N 15 1.545595054 0.039891808 . . . . . 27194 1 11 . 1 1 11 11 GLY N N 15 1.620745543 0.059529984 . . . . . 27194 1 12 . 1 1 12 12 ASP N N 15 1.615508885 0.056268174 . . . . . 27194 1 13 . 1 1 13 13 LEU N N 15 1.569858713 0.053956044 . . . . . 27194 1 14 . 1 1 14 14 ARG N N 15 1.560062402 0.037410296 . . . . . 27194 1 15 . 1 1 15 15 THR N N 15 1.488095238 0.084360119 . . . . . 27194 1 16 . 1 1 16 16 TYR N N 15 1.647446458 0.071235585 . . . . . 27194 1 17 . 1 1 17 17 ALA N N 15 1.666666667 0.059133333 . . . . . 27194 1 18 . 1 1 18 18 GLN N N 15 1.700680272 0.048809524 . . . . . 27194 1 19 . 1 1 19 19 ASP N N 15 1.53609831 0.039247312 . . . . . 27194 1 20 . 1 1 20 20 ILE N N 15 1.748251748 0.086416084 . . . . . 27194 1 21 . 1 1 21 21 PHE N N 15 1.748251748 0.059912587 . . . . . 27194 1 22 . 1 1 22 22 LEU N N 15 1.605136437 0.037817014 . . . . . 27194 1 23 . 1 1 23 23 ALA N N 15 1.669449082 0.042971619 . . . . . 27194 1 24 . 1 1 24 24 PHE N N 15 1.689189189 0.020456081 . . . . . 27194 1 25 . 1 1 25 25 LEU N N 15 1.607717042 0.053874598 . . . . . 27194 1 26 . 1 1 26 26 ASN N N 15 1.589825119 0.040349762 . . . . . 27194 1 27 . 1 1 27 27 LYS N N 15 1.612903226 0.097951613 . . . . . 27194 1 28 . 1 1 28 28 TYR N N 15 1.658374793 0.04708126 . . . . . 27194 1 29 . 1 1 30 30 ASP N N 15 1.633986928 0.108202614 . . . . . 27194 1 30 . 1 1 32 32 ARG N N 15 1.736111111 0.036128472 . . . . . 27194 1 31 . 1 1 33 33 ARG N N 15 1.490312966 0.091758569 . . . . . 27194 1 32 . 1 1 34 34 TYR N N 15 1.592356688 0.036003185 . . . . . 27194 1 33 . 1 1 38 38 TYR N N 15 1.712328767 0.088510274 . . . . . 27194 1 34 . 1 1 39 39 VAL N N 15 1.639344262 0.061918033 . . . . . 27194 1 35 . 1 1 41 41 LYS N N 15 1.44092219 0.115446686 . . . . . 27194 1 36 . 1 1 42 42 SER N N 15 1.517450683 0.100940819 . . . . . 27194 1 37 . 1 1 43 43 ASP N N 15 1.692047377 0.093367174 . . . . . 27194 1 38 . 1 1 44 44 GLN N N 15 1.776198934 0.024849023 . . . . . 27194 1 39 . 1 1 45 45 GLU N N 15 1.703577513 0.058279387 . . . . . 27194 1 40 . 1 1 47 47 LYS N N 15 1.6 0.066576 . . . . . 27194 1 41 . 1 1 48 48 SER N N 15 1.497005988 0.086002994 . . . . . 27194 1 42 . 1 1 49 49 MET N N 15 1.543209877 0.064506173 . . . . . 27194 1 43 . 1 1 52 52 PHE N N 15 1.584786054 0.083882726 . . . . . 27194 1 44 . 1 1 53 53 GLY N N 15 1.481481481 0.108518519 . . . . . 27194 1 45 . 1 1 54 54 ASP N N 15 1.560062402 0.07549142 . . . . . 27194 1 46 . 1 1 55 55 HIS N N 15 1.639344262 0.072704918 . . . . . 27194 1 47 . 1 1 56 56 THR N N 15 1.658374793 0.044610282 . . . . . 27194 1 48 . 1 1 57 57 GLU N N 15 1.623376623 0.041558442 . . . . . 27194 1 49 . 1 1 58 58 LYS N N 15 1.540832049 0.034468413 . . . . . 27194 1 50 . 1 1 59 59 VAL N N 15 1.547987616 0.053606811 . . . . . 27194 1 51 . 1 1 60 60 PHE N N 15 1.529051988 0.126253823 . . . . . 27194 1 52 . 1 1 61 61 ASN N N 15 1.560062402 0.040826833 . . . . . 27194 1 53 . 1 1 62 62 LEU N N 15 1.477104874 0.07225997 . . . . . 27194 1 54 . 1 1 63 63 MET N N 15 1.577287066 0.13 . . . . . 27194 1 55 . 1 1 64 64 MET N N 15 1.499250375 0.083088456 . . . . . 27194 1 56 . 1 1 65 65 GLU N N 15 1.533742331 0.058696319 . . . . . 27194 1 57 . 1 1 66 66 VAL N N 15 1.597444089 0.034376997 . . . . . 27194 1 58 . 1 1 67 67 ALA N N 15 1.497005988 0.087739521 . . . . . 27194 1 59 . 1 1 68 68 ASP N N 15 1.499250375 0.085157421 . . . . . 27194 1 60 . 1 1 69 69 ARG N N 15 1.410437236 0.040437236 . . . . . 27194 1 61 . 1 1 70 70 ALA N N 15 1.623376623 0.072451299 . . . . . 27194 1 62 . 1 1 71 71 THR N N 15 1.331557923 0.063821571 . . . . . 27194 1 63 . 1 1 73 73 CYS N N 15 1.589825119 0.066041335 . . . . . 27194 1 64 . 1 1 74 74 VAL N N 15 1.519756839 0.078404255 . . . . . 27194 1 65 . 1 1 76 76 LEU N N 15 1.6 0.103136 . . . . . 27194 1 66 . 1 1 77 77 ALA N N 15 1.461988304 0.118654971 . . . . . 27194 1 67 . 1 1 79 79 ASP N N 15 1.552795031 0.065372671 . . . . . 27194 1 68 . 1 1 80 80 ALA N N 15 1.602564103 0.037083333 . . . . . 27194 1 69 . 1 1 81 81 ASN N N 15 1.461988304 0.076125731 . . . . . 27194 1 70 . 1 1 82 82 THR N N 15 1.453488372 0.032427326 . . . . . 27194 1 71 . 1 1 83 83 LEU N N 15 1.481481481 0.03642963 . . . . . 27194 1 72 . 1 1 84 84 VAL N N 15 1.522070015 0.029619482 . . . . . 27194 1 73 . 1 1 85 85 GLN N N 15 1.506024096 0.078584337 . . . . . 27194 1 74 . 1 1 86 86 MET N N 15 1.35501355 0.086761518 . . . . . 27194 1 75 . 1 1 88 88 GLN N N 15 1.623376623 0.099431818 . . . . . 27194 1 76 . 1 1 89 89 HIS N N 15 1.672240803 0.07638796 . . . . . 27194 1 77 . 1 1 90 90 SER N N 15 1.620745543 0.098670989 . . . . . 27194 1 78 . 1 1 92 92 LEU N N 15 1.650165017 0.064026403 . . . . . 27194 1 79 . 1 1 93 93 THR N N 15 1.557632399 0.079844237 . . . . . 27194 1 80 . 1 1 94 94 THR N N 15 1.5625 0.075453125 . . . . . 27194 1 81 . 1 1 95 95 GLY N N 15 1.533742331 0.128435583 . . . . . 27194 1 82 . 1 1 96 96 ASN N N 15 1.618122977 0.10012945 . . . . . 27194 1 83 . 1 1 97 97 PHE N N 15 1.633986928 0.111764706 . . . . . 27194 1 84 . 1 1 98 98 GLU N N 15 1.494768311 0.08367713 . . . . . 27194 1 85 . 1 1 99 99 LYS N N 15 1.567398119 0.076394984 . . . . . 27194 1 86 . 1 1 100 100 LEU N N 15 1.612903226 0.057854839 . . . . . 27194 1 87 . 1 1 101 101 PHE N N 15 1.661129568 0.080365449 . . . . . 27194 1 88 . 1 1 102 102 VAL N N 15 1.672240803 0.067023411 . . . . . 27194 1 89 . 1 1 103 103 ALA N N 15 1.57480315 0.03719685 . . . . . 27194 1 90 . 1 1 104 104 LEU N N 15 1.547987616 0.045665635 . . . . . 27194 1 91 . 1 1 105 105 VAL N N 15 1.582278481 0.106598101 . . . . . 27194 1 92 . 1 1 106 106 GLU N N 15 1.5625 0.07578125 . . . . . 27194 1 93 . 1 1 107 107 TYR N N 15 1.639344262 0.057114754 . . . . . 27194 1 94 . 1 1 108 108 MET N N 15 1.607717042 0.093456592 . . . . . 27194 1 95 . 1 1 109 109 ARG N N 15 1.589825119 0.038203498 . . . . . 27194 1 96 . 1 1 110 110 ALA N N 15 1.529051988 0.05793578 . . . . . 27194 1 97 . 1 1 112 112 GLY N N 15 1.383125864 0.184785615 . . . . . 27194 1 98 . 1 1 113 113 GLN N N 15 1.408450704 0.181267606 . . . . . 27194 1 99 . 1 1 115 115 PHE N N 15 1.297016861 0.115940337 . . . . . 27194 1 100 . 1 1 116 116 ASP N N 15 1.488095238 0.102142857 . . . . . 27194 1 101 . 1 1 117 117 SER N N 15 1.5625 0.0805 . . . . . 27194 1 102 . 1 1 118 118 GLN N N 15 1.572327044 0.144544025 . . . . . 27194 1 103 . 1 1 119 119 SER N N 15 1.560062402 0.159906396 . . . . . 27194 1 104 . 1 1 120 120 TRP N N 15 1.663893511 0.101930116 . . . . . 27194 1 105 . 1 1 121 121 ASP N N 15 1.63132137 0.079836868 . . . . . 27194 1 106 . 1 1 122 122 ARG N N 15 1.547987616 0.055758514 . . . . . 27194 1 107 . 1 1 124 124 GLY N N 15 1.607717042 0.068762058 . . . . . 27194 1 108 . 1 1 125 125 LYS N N 15 1.633986928 0.043218954 . . . . . 27194 1 109 . 1 1 126 126 ASN N N 15 1.6 0.03744 . . . . . 27194 1 110 . 1 1 127 127 LEU N N 15 1.661129568 0.03755814 . . . . . 27194 1 111 . 1 1 128 128 VAL N N 15 1.644736842 0.042582237 . . . . . 27194 1 112 . 1 1 129 129 SER N N 15 1.526717557 0.080992366 . . . . . 27194 1 113 . 1 1 130 130 ALA N N 15 1.620745543 0.048638574 . . . . . 27194 1 114 . 1 1 131 131 LEU N N 15 1.607717042 0.065032154 . . . . . 27194 1 115 . 1 1 132 132 SER N N 15 1.620745543 0.039270665 . . . . . 27194 1 116 . 1 1 133 133 SER N N 15 1.63132137 0.037047308 . . . . . 27194 1 117 . 1 1 134 134 ALA N N 15 1.677852349 0.047416107 . . . . . 27194 1 118 . 1 1 135 135 GLY N N 15 1.522070015 0.067092846 . . . . . 27194 1 119 . 1 1 136 136 MET N N 15 1.47275405 0.059278351 . . . . . 27194 1 120 . 1 1 137 137 LYS N N 15 1.46627566 0.038636364 . . . . . 27194 1 stop_ save_ save_heteronuclear_T1_list_2 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_2 _Heteronucl_T1_list.Entry_ID 27194 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Name . _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 700 _Heteronucl_T1_list.T1_coherence_type Iz _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 1 '2D 1H-15N HSQC' . . . 27194 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 GLY N N 15 1.322751323 0.073955026 . . . . . 27194 2 2 . 1 1 2 2 PHE N N 15 1.121076233 0.048071749 . . . . . 27194 2 3 . 1 1 3 3 LYS N N 15 1.066098081 0.054797441 . . . . . 27194 2 4 . 1 1 4 4 GLN N N 15 1.119820829 0.020515118 . . . . . 27194 2 5 . 1 1 5 5 ASP N N 15 1.127395716 0.046832018 . . . . . 27194 2 6 . 1 1 6 6 ILE N N 15 1.005025126 0.048572864 . . . . . 27194 2 7 . 1 1 7 7 ALA N N 15 1.060445387 0.03300106 . . . . . 27194 2 8 . 1 1 8 8 THR N N 15 1.083423619 0.023499458 . . . . . 27194 2 9 . 1 1 9 9 ILE N N 15 1.082251082 0.039718615 . . . . . 27194 2 10 . 1 1 10 10 ARG N N 15 1.069518717 0.075165775 . . . . . 27194 2 11 . 1 1 11 11 GLY N N 15 1.071811361 0.034244373 . . . . . 27194 2 12 . 1 1 12 12 ASP N N 15 1.067235859 0.028826041 . . . . . 27194 2 13 . 1 1 13 13 LEU N N 15 1.068376068 0.027564103 . . . . . 27194 2 14 . 1 1 14 14 ARG N N 15 1.092896175 0.042284153 . . . . . 27194 2 15 . 1 1 15 15 THR N N 15 1.03626943 0.02961658 . . . . . 27194 2 16 . 1 1 16 16 TYR N N 15 1.122334456 0.044949495 . . . . . 27194 2 17 . 1 1 17 17 ALA N N 15 1.117318436 0.043284916 . . . . . 27194 2 18 . 1 1 18 18 GLN N N 15 1.111111111 0.023066667 . . . . . 27194 2 19 . 1 1 19 19 ASP N N 15 1.046025105 0.041433054 . . . . . 27194 2 20 . 1 1 20 20 ILE N N 15 1.119820829 0.057603583 . . . . . 27194 2 21 . 1 1 21 21 PHE N N 15 1.149425287 0.050425287 . . . . . 27194 2 22 . 1 1 22 22 LEU N N 15 1.040582726 0.067700312 . . . . . 27194 2 23 . 1 1 23 23 ALA N N 15 1.082251082 0.049621212 . . . . . 27194 2 24 . 1 1 24 24 PHE N N 15 1.076426265 0.034058127 . . . . . 27194 2 25 . 1 1 25 25 LEU N N 15 1.109877913 0.047880133 . . . . . 27194 2 26 . 1 1 26 26 ASN N N 15 1.051524711 0.038980021 . . . . . 27194 2 27 . 1 1 27 27 LYS N N 15 1.089324619 0.040566449 . . . . . 27194 2 28 . 1 1 28 28 TYR N N 15 1.083423619 0.033347779 . . . . . 27194 2 29 . 1 1 30 30 ASP N N 15 1.146788991 0.064392202 . . . . . 27194 2 30 . 1 1 32 32 ARG N N 15 1.165501166 0.022599068 . . . . . 27194 2 31 . 1 1 33 33 ARG N N 15 1.078748652 0.027594391 . . . . . 27194 2 32 . 1 1 34 34 TYR N N 15 1.057082452 0.0347463 . . . . . 27194 2 33 . 1 1 38 38 TYR N N 15 1.121076233 0.026020179 . . . . . 27194 2 34 . 1 1 39 39 VAL N N 15 1.168224299 0.02853972 . . . . . 27194 2 35 . 1 1 41 41 LYS N N 15 1.019367992 0.054383282 . . . . . 27194 2 36 . 1 1 42 42 SER N N 15 1.079913607 0.076069114 . . . . . 27194 2 37 . 1 1 43 43 ASP N N 15 1.256281407 0.048417085 . . . . . 27194 2 38 . 1 1 44 44 GLN N N 15 1.193317422 0.05928401 . . . . . 27194 2 39 . 1 1 45 45 GLU N N 15 1.156069364 0.033745665 . . . . . 27194 2 40 . 1 1 47 47 LYS N N 15 1.112347052 0.032647386 . . . . . 27194 2 41 . 1 1 48 48 SER N N 15 1.077586207 0.031982759 . . . . . 27194 2 42 . 1 1 49 49 MET N N 15 1.070663812 0.029860814 . . . . . 27194 2 43 . 1 1 52 52 PHE N N 15 1.13507378 0.041555051 . . . . . 27194 2 44 . 1 1 53 53 GLY N N 15 1.066098081 0.03771855 . . . . . 27194 2 45 . 1 1 54 54 ASP N N 15 1.029866117 0.052502575 . . . . . 27194 2 46 . 1 1 55 55 HIS N N 15 1.091703057 0.026048035 . . . . . 27194 2 47 . 1 1 56 56 THR N N 15 1.070663812 0.033747323 . . . . . 27194 2 48 . 1 1 57 57 GLU N N 15 1.042752868 0.031407716 . . . . . 27194 2 49 . 1 1 58 58 LYS N N 15 1.001001001 0.037637638 . . . . . 27194 2 50 . 1 1 59 59 VAL N N 15 1.041666667 0.021208333 . . . . . 27194 2 51 . 1 1 60 60 PHE N N 15 1.026694045 0.029599589 . . . . . 27194 2 52 . 1 1 61 61 ASN N N 15 1.094091904 0.042177243 . . . . . 27194 2 53 . 1 1 62 62 LEU N N 15 0.970873786 0.027796117 . . . . . 27194 2 54 . 1 1 63 63 MET N N 15 1.033057851 0.054566116 . . . . . 27194 2 55 . 1 1 64 64 MET N N 15 1.061571125 0.069872611 . . . . . 27194 2 56 . 1 1 65 65 GLU N N 15 1.023541453 0.023418628 . . . . . 27194 2 57 . 1 1 66 66 VAL N N 15 1.077586207 0.020721983 . . . . . 27194 2 58 . 1 1 67 67 ALA N N 15 1.084598698 0.02862256 . . . . . 27194 2 59 . 1 1 68 68 ASP N N 15 1.068376068 0.059348291 . . . . . 27194 2 60 . 1 1 69 69 ARG N N 15 1 0.03838 . . . . . 27194 2 61 . 1 1 70 70 ALA N N 15 1.132502831 0.025084938 . . . . . 27194 2 62 . 1 1 71 71 THR N N 15 1.061571125 0.122080679 . . . . . 27194 2 63 . 1 1 73 73 CYS N N 15 1.187648456 0.06871734 . . . . . 27194 2 64 . 1 1 74 74 VAL N N 15 1.051524711 0.02617245 . . . . . 27194 2 65 . 1 1 76 76 LEU N N 15 1.161440186 0.049094077 . . . . . 27194 2 66 . 1 1 77 77 ALA N N 15 1.055966209 0.065733897 . . . . . 27194 2 67 . 1 1 79 79 ASP N N 15 1.020408163 0.048408163 . . . . . 27194 2 68 . 1 1 80 80 ALA N N 15 1.084598698 0.039154013 . . . . . 27194 2 69 . 1 1 81 81 ASN N N 15 1.002004008 0.078186373 . . . . . 27194 2 70 . 1 1 82 82 THR N N 15 0.943396226 0.088320755 . . . . . 27194 2 71 . 1 1 83 83 LEU N N 15 1.027749229 0.045519013 . . . . . 27194 2 72 . 1 1 84 84 VAL N N 15 0.99009901 0.072950495 . . . . . 27194 2 73 . 1 1 85 85 GLN N N 15 0.970873786 0.061252427 . . . . . 27194 2 74 . 1 1 86 86 MET N N 15 0.943396226 0.066377358 . . . . . 27194 2 75 . 1 1 88 88 GLN N N 15 1.158748552 0.05801854 . . . . . 27194 2 76 . 1 1 89 89 HIS N N 15 1.096491228 0.046162281 . . . . . 27194 2 77 . 1 1 90 90 SER N N 15 1.146788991 0.028061927 . . . . . 27194 2 78 . 1 1 92 92 LEU N N 15 1.101321586 0.015143172 . . . . . 27194 2 79 . 1 1 93 93 THR N N 15 1.051524711 0.047287066 . . . . . 27194 2 80 . 1 1 94 94 THR N N 15 1.126126126 0.080168919 . . . . . 27194 2 81 . 1 1 95 95 GLY N N 15 1.131221719 0.047070136 . . . . . 27194 2 82 . 1 1 96 96 ASN N N 15 1.121076233 0.031502242 . . . . . 27194 2 83 . 1 1 97 97 PHE N N 15 1.025641026 0.014666667 . . . . . 27194 2 84 . 1 1 98 98 GLU N N 15 1.042752868 0.012075078 . . . . . 27194 2 85 . 1 1 99 99 LYS N N 15 1.015228426 0.029746193 . . . . . 27194 2 86 . 1 1 100 100 LEU N N 15 1.076426265 0.01846071 . . . . . 27194 2 87 . 1 1 101 101 PHE N N 15 1.064962726 0.039552716 . . . . . 27194 2 88 . 1 1 102 102 VAL N N 15 1.057082452 0.030940803 . . . . . 27194 2 89 . 1 1 103 103 ALA N N 15 1.052631579 0.048915789 . . . . . 27194 2 90 . 1 1 104 104 LEU N N 15 1.082251082 0.034686147 . . . . . 27194 2 91 . 1 1 105 105 VAL N N 15 1.203369434 0.058604091 . . . . . 27194 2 92 . 1 1 106 106 GLU N N 15 1.298701299 0.235584416 . . . . . 27194 2 93 . 1 1 107 107 TYR N N 15 1.071811361 0.027588424 . . . . . 27194 2 94 . 1 1 108 108 MET N N 15 1.112347052 0.027630701 . . . . . 27194 2 95 . 1 1 109 109 ARG N N 15 1.063829787 0.035414894 . . . . . 27194 2 96 . 1 1 110 110 ALA N N 15 1.067235859 0.023489861 . . . . . 27194 2 97 . 1 1 112 112 GLY N N 15 1.10619469 0.047123894 . . . . . 27194 2 98 . 1 1 113 113 GLN N N 15 1.069518717 0.029871658 . . . . . 27194 2 99 . 1 1 115 115 PHE N N 15 1.048218029 0.043794549 . . . . . 27194 2 100 . 1 1 116 116 ASP N N 15 1.047120419 0.029162304 . . . . . 27194 2 101 . 1 1 117 117 SER N N 15 1.164144354 0.042759022 . . . . . 27194 2 102 . 1 1 118 118 GLN N N 15 1.180637544 0.044710744 . . . . . 27194 2 103 . 1 1 119 119 SER N N 15 1.094091904 0.062560175 . . . . . 27194 2 104 . 1 1 120 120 TRP N N 15 1.08577633 0.021270358 . . . . . 27194 2 105 . 1 1 121 121 ASP N N 15 1.084598698 0.033416486 . . . . . 27194 2 106 . 1 1 122 122 ARG N N 15 1.048218029 0.034213836 . . . . . 27194 2 107 . 1 1 124 124 GLY N N 15 1.095290252 0.0450931 . . . . . 27194 2 108 . 1 1 125 125 LYS N N 15 1.061571125 0.022208068 . . . . . 27194 2 109 . 1 1 126 126 ASN N N 15 1.127395716 0.03005637 . . . . . 27194 2 110 . 1 1 127 127 LEU N N 15 1.131221719 0.03361991 . . . . . 27194 2 111 . 1 1 128 128 VAL N N 15 1.026694045 0.016776181 . . . . . 27194 2 112 . 1 1 129 129 SER N N 15 1.034126163 0.029296794 . . . . . 27194 2 113 . 1 1 130 130 ALA N N 15 1.090512541 0.032497274 . . . . . 27194 2 114 . 1 1 131 131 LEU N N 15 1.096491228 0.060964912 . . . . . 27194 2 115 . 1 1 132 132 SER N N 15 1.042752868 0.037069864 . . . . . 27194 2 116 . 1 1 133 133 SER N N 15 1.070663812 0.05391863 . . . . . 27194 2 117 . 1 1 134 134 ALA N N 15 1.088139282 0.030174102 . . . . . 27194 2 118 . 1 1 135 135 GLY N N 15 0.99009901 0.047356436 . . . . . 27194 2 119 . 1 1 136 136 MET N N 15 1 0.02808 . . . . . 27194 2 120 . 1 1 137 137 LYS N N 15 0.980392157 0.056764706 . . . . . 27194 2 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 27194 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name . _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 500 _Heteronucl_T2_list.T2_coherence_type I(+,-) _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 1 '2D 1H-15N HSQC' . . . 27194 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 GLY N N 15 8.620689655 0.029956897 . . . . . . . 27194 1 2 . 1 1 2 2 PHE N N 15 10.74113856 0.068560687 . . . . . . . 27194 1 3 . 1 1 3 3 LYS N N 15 10.83423619 0.094257855 . . . . . . . 27194 1 4 . 1 1 4 4 GLN N N 15 11.07419712 0.015802879 . . . . . . . 27194 1 5 . 1 1 5 5 ASP N N 15 11.19820829 0.107323628 . . . . . . . 27194 1 6 . 1 1 6 6 ILE N N 15 12.62626263 0.02989899 . . . . . . . 27194 1 7 . 1 1 7 7 ALA N N 15 12.62626263 0.040315657 . . . . . . . 27194 1 8 . 1 1 8 8 THR N N 15 11.99040767 0.044184652 . . . . . . . 27194 1 9 . 1 1 9 9 ILE N N 15 11.7370892 0.077734742 . . . . . . . 27194 1 10 . 1 1 10 10 ARG N N 15 12.88659794 0.044600515 . . . . . . . 27194 1 11 . 1 1 11 11 GLY N N 15 12.48439451 0.045480649 . . . . . . . 27194 1 12 . 1 1 12 12 ASP N N 15 11.02535832 0.028787211 . . . . . . . 27194 1 13 . 1 1 13 13 LEU N N 15 10.79913607 0.087526998 . . . . . . . 27194 1 14 . 1 1 14 14 ARG N N 15 11.41552511 0.042009132 . . . . . . . 27194 1 15 . 1 1 15 15 THR N N 15 11.28668172 0.03224605 . . . . . . . 27194 1 16 . 1 1 16 16 TYR N N 15 11.93317422 0.011612172 . . . . . . . 27194 1 17 . 1 1 17 17 ALA N N 15 12.18026797 0.03088916 . . . . . . . 27194 1 18 . 1 1 18 18 GLN N N 15 10.52631579 0.0436 . . . . . . . 27194 1 19 . 1 1 19 19 ASP N N 15 12.91989664 0.039896641 . . . . . . . 27194 1 20 . 1 1 20 20 ILE N N 15 12.06272618 0.072496984 . . . . . . . 27194 1 21 . 1 1 21 21 PHE N N 15 11.4416476 0.0248627 . . . . . . . 27194 1 22 . 1 1 22 22 LEU N N 15 11.68224299 0.038049065 . . . . . . . 27194 1 23 . 1 1 23 23 ALA N N 15 13.07189542 0.105437908 . . . . . . . 27194 1 24 . 1 1 24 24 PHE N N 15 11.70960187 0.021159251 . . . . . . . 27194 1 25 . 1 1 25 25 LEU N N 15 12.04819277 0.034012048 . . . . . . . 27194 1 26 . 1 1 26 26 ASN N N 15 11.93317422 0.027243437 . . . . . . . 27194 1 27 . 1 1 27 27 LYS N N 15 10.96491228 0.02808114 . . . . . . . 27194 1 28 . 1 1 28 28 TYR N N 15 10.95290252 0.011106243 . . . . . . . 27194 1 29 . 1 1 30 30 ASP N N 15 12.51564456 0.05893617 . . . . . . . 27194 1 30 . 1 1 32 32 ARG N N 15 11.09877913 0.027746948 . . . . . . . 27194 1 31 . 1 1 33 33 ARG N N 15 10.75268817 0.033903226 . . . . . . . 27194 1 32 . 1 1 34 34 TYR N N 15 12.21001221 0.065189255 . . . . . . . 27194 1 33 . 1 1 38 38 TYR N N 15 11.8623962 0.060925267 . . . . . . . 27194 1 34 . 1 1 39 39 VAL N N 15 10.91703057 0.034868996 . . . . . . . 27194 1 35 . 1 1 41 41 LYS N N 15 10.71811361 0.036162915 . . . . . . . 27194 1 36 . 1 1 42 42 SER N N 15 10.92896175 0.059224044 . . . . . . . 27194 1 37 . 1 1 43 43 ASP N N 15 11.01321586 0.0625 . . . . . . . 27194 1 38 . 1 1 44 44 GLN N N 15 11.00110011 0.02239824 . . . . . . . 27194 1 39 . 1 1 45 45 GLU N N 15 10.89324619 0.015108932 . . . . . . . 27194 1 40 . 1 1 47 47 LYS N N 15 11.37656428 0.032036405 . . . . . . . 27194 1 41 . 1 1 48 48 SER N N 15 8.695652174 0.047904348 . . . . . . . 27194 1 42 . 1 1 49 49 MET N N 15 9.900990099 0.071138614 . . . . . . . 27194 1 43 . 1 1 52 52 PHE N N 15 12.04819277 0.04339759 . . . . . . . 27194 1 44 . 1 1 53 53 GLY N N 15 11.00110011 0.023025303 . . . . . . . 27194 1 45 . 1 1 54 54 ASP N N 15 12.09189843 0.015695284 . . . . . . . 27194 1 46 . 1 1 55 55 HIS N N 15 12.42236025 0.04173913 . . . . . . . 27194 1 47 . 1 1 56 56 THR N N 15 11.38952164 0.03953303 . . . . . . . 27194 1 48 . 1 1 57 57 GLU N N 15 11.82033097 0.035141844 . . . . . . . 27194 1 49 . 1 1 58 58 LYS N N 15 12.88659794 0.027603093 . . . . . . . 27194 1 50 . 1 1 59 59 VAL N N 15 12.65822785 0.023924051 . . . . . . . 27194 1 51 . 1 1 60 60 PHE N N 15 11.17318436 0.067340782 . . . . . . . 27194 1 52 . 1 1 61 61 ASN N N 15 11.64144354 0.025634459 . . . . . . . 27194 1 53 . 1 1 62 62 LEU N N 15 13.03780965 0.036701434 . . . . . . . 27194 1 54 . 1 1 63 63 MET N N 15 12.98701299 0.05312987 . . . . . . . 27194 1 55 . 1 1 64 64 MET N N 15 12.09189843 0.028488513 . . . . . . . 27194 1 56 . 1 1 65 65 GLU N N 15 12.77139208 0.031251596 . . . . . . . 27194 1 57 . 1 1 66 66 VAL N N 15 11.89060642 0.027598098 . . . . . . . 27194 1 58 . 1 1 67 67 ALA N N 15 12.36093943 0.073831891 . . . . . . . 27194 1 59 . 1 1 68 68 ASP N N 15 12.93661061 0.042238034 . . . . . . . 27194 1 60 . 1 1 69 69 ARG N N 15 11.9047619 0.038119048 . . . . . . . 27194 1 61 . 1 1 70 70 ALA N N 15 11.49425287 0.025206897 . . . . . . . 27194 1 62 . 1 1 71 71 THR N N 15 9.345794393 0.031214953 . . . . . . . 27194 1 63 . 1 1 73 73 CYS N N 15 11.40250855 0.075963512 . . . . . . . 27194 1 64 . 1 1 74 74 VAL N N 15 12.06272618 0.043860072 . . . . . . . 27194 1 65 . 1 1 76 76 LEU N N 15 11.76470588 0.038847059 . . . . . . . 27194 1 66 . 1 1 77 77 ALA N N 15 12.10653753 0.030133172 . . . . . . . 27194 1 67 . 1 1 79 79 ASP N N 15 11.9474313 0.048817204 . . . . . . . 27194 1 68 . 1 1 80 80 ALA N N 15 11.68224299 0.032780374 . . . . . . . 27194 1 69 . 1 1 81 81 ASN N N 15 12.5 0.0234375 . . . . . . . 27194 1 70 . 1 1 82 82 THR N N 15 12.90322581 0.0256 . . . . . . . 27194 1 71 . 1 1 83 83 LEU N N 15 13.38688086 0.019598394 . . . . . . . 27194 1 72 . 1 1 84 84 VAL N N 15 13.12335958 0.016784777 . . . . . . . 27194 1 73 . 1 1 85 85 GLN N N 15 12.65822785 0.023936709 . . . . . . . 27194 1 74 . 1 1 86 86 MET N N 15 10.48218029 0.051740042 . . . . . . . 27194 1 75 . 1 1 88 88 GLN N N 15 11.36363636 0.023545455 . . . . . . . 27194 1 76 . 1 1 89 89 HIS N N 15 10.98901099 0.075835165 . . . . . . . 27194 1 77 . 1 1 90 90 SER N N 15 11.65501166 0.027331002 . . . . . . . 27194 1 78 . 1 1 92 92 LEU N N 15 11.0864745 0.018314856 . . . . . . . 27194 1 79 . 1 1 93 93 THR N N 15 10.38421599 0.037268951 . . . . . . . 27194 1 80 . 1 1 94 94 THR N N 15 11.26126126 0.043558559 . . . . . . . 27194 1 81 . 1 1 95 95 GLY N N 15 10.8577633 0.047741585 . . . . . . . 27194 1 82 . 1 1 96 96 ASN N N 15 12.18026797 0.017381242 . . . . . . . 27194 1 83 . 1 1 97 97 PHE N N 15 11.17318436 0.028223464 . . . . . . . 27194 1 84 . 1 1 98 98 GLU N N 15 12.03369434 0.025354994 . . . . . . . 27194 1 85 . 1 1 99 99 LYS N N 15 12.19512195 0.045134146 . . . . . . . 27194 1 86 . 1 1 100 100 LEU N N 15 12.7064803 0.070127065 . . . . . . . 27194 1 87 . 1 1 101 101 PHE N N 15 12.43781095 0.04409204 . . . . . . . 27194 1 88 . 1 1 102 102 VAL N N 15 12.97016861 0.109792477 . . . . . . . 27194 1 89 . 1 1 103 103 ALA N N 15 11.99040767 0.02647482 . . . . . . . 27194 1 90 . 1 1 104 104 LEU N N 15 11.52073733 0.0259447 . . . . . . . 27194 1 91 . 1 1 105 105 VAL N N 15 9.900990099 0.031445545 . . . . . . . 27194 1 92 . 1 1 106 106 GLU N N 15 11.83431953 0.032544379 . . . . . . . 27194 1 93 . 1 1 107 107 TYR N N 15 11.37656428 0.043208191 . . . . . . . 27194 1 94 . 1 1 108 108 MET N N 15 11.91895113 0.036877235 . . . . . . . 27194 1 95 . 1 1 109 109 ARG N N 15 12.28501229 0.017039312 . . . . . . . 27194 1 96 . 1 1 110 110 ALA N N 15 12.23990208 0.043818849 . . . . . . . 27194 1 97 . 1 1 112 112 GLY N N 15 10.88139282 0.053351469 . . . . . . . 27194 1 98 . 1 1 113 113 GLN N N 15 11.31221719 0.047183258 . . . . . . . 27194 1 99 . 1 1 115 115 PHE N N 15 7.874015748 0.020259843 . . . . . . . 27194 1 100 . 1 1 116 116 ASP N N 15 9.803921569 0.074617647 . . . . . . . 27194 1 101 . 1 1 117 117 SER N N 15 11.36363636 0.008775 . . . . . . . 27194 1 102 . 1 1 118 118 GLN N N 15 12.19512195 0.01902439 . . . . . . . 27194 1 103 . 1 1 119 119 SER N N 15 11.99040767 0.024088729 . . . . . . . 27194 1 104 . 1 1 120 120 TRP N N 15 12.69035533 0.057829949 . . . . . . . 27194 1 105 . 1 1 121 121 ASP N N 15 12.28501229 0.016326781 . . . . . . . 27194 1 106 . 1 1 122 122 ARG N N 15 12.53132832 0.016779449 . . . . . . . 27194 1 107 . 1 1 124 124 GLY N N 15 13.8121547 0.036878453 . . . . . . . 27194 1 108 . 1 1 125 125 LYS N N 15 12.28501229 0.036904177 . . . . . . . 27194 1 109 . 1 1 126 126 ASN N N 15 12.23990208 0.050195838 . . . . . . . 27194 1 110 . 1 1 127 127 LEU N N 15 11.62790698 0.048418605 . . . . . . . 27194 1 111 . 1 1 128 128 VAL N N 15 12.26993865 0.017386503 . . . . . . . 27194 1 112 . 1 1 129 129 SER N N 15 11.54734411 0.060727483 . . . . . . . 27194 1 113 . 1 1 130 130 ALA N N 15 11.62790698 0.056848837 . . . . . . . 27194 1 114 . 1 1 131 131 LEU N N 15 11.84834123 0.027831754 . . . . . . . 27194 1 115 . 1 1 132 132 SER N N 15 11.66861144 0.036021004 . . . . . . . 27194 1 116 . 1 1 133 133 SER N N 15 12.39157373 0.010872367 . . . . . . . 27194 1 117 . 1 1 134 134 ALA N N 15 10.61571125 0.043301486 . . . . . . . 27194 1 118 . 1 1 135 135 GLY N N 15 11.01321586 0.049427313 . . . . . . . 27194 1 119 . 1 1 136 136 MET N N 15 11.75088132 0.038648649 . . . . . . . 27194 1 120 . 1 1 137 137 LYS N N 15 11.70960187 0.157377049 . . . . . . . 27194 1 stop_ save_ save_heteronuclear_T2_list_2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_2 _Heteronucl_T2_list.Entry_ID 27194 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Name . _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 700 _Heteronucl_T2_list.T2_coherence_type I(+,-) _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 1 '2D 1H-15N HSQC' . . . 27194 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 GLY N N 15 10.03009027 0.114543631 . . . . . . . 27194 2 2 . 1 1 2 2 PHE N N 15 12.28501229 0.028292383 . . . . . . . 27194 2 3 . 1 1 3 3 LYS N N 15 13.83125864 0.0493361 . . . . . . . 27194 2 4 . 1 1 4 4 GLN N N 15 12.62626263 0.054482323 . . . . . . . 27194 2 5 . 1 1 5 5 ASP N N 15 12.45330012 0.026537983 . . . . . . . 27194 2 6 . 1 1 6 6 ILE N N 15 15.50387597 0.040062016 . . . . . . . 27194 2 7 . 1 1 7 7 ALA N N 15 14.26533524 0.039885877 . . . . . . . 27194 2 8 . 1 1 8 8 THR N N 15 12.85347044 0.037030848 . . . . . . . 27194 2 9 . 1 1 9 9 ILE N N 15 13.02083333 0.024869792 . . . . . . . 27194 2 10 . 1 1 10 10 ARG N N 15 14.7275405 0.121723122 . . . . . . . 27194 2 11 . 1 1 11 11 GLY N N 15 12.67427123 0.080481622 . . . . . . . 27194 2 12 . 1 1 12 12 ASP N N 15 11.80637544 0.046517119 . . . . . . . 27194 2 13 . 1 1 13 13 LEU N N 15 13.58695652 0.044891304 . . . . . . . 27194 2 14 . 1 1 14 14 ARG N N 15 13.47708895 0.040390836 . . . . . . . 27194 2 15 . 1 1 15 15 THR N N 15 13.21003963 0.03678996 . . . . . . . 27194 2 16 . 1 1 16 16 TYR N N 15 14.04494382 0.050407303 . . . . . . . 27194 2 17 . 1 1 17 17 ALA N N 15 12.23990208 0.094651163 . . . . . . . 27194 2 18 . 1 1 18 18 GLN N N 15 13.28021248 0.022709163 . . . . . . . 27194 2 19 . 1 1 19 19 ASP N N 15 15.08295626 0.054012066 . . . . . . . 27194 2 20 . 1 1 20 20 ILE N N 15 12.48439451 0.038139825 . . . . . . . 27194 2 21 . 1 1 21 21 PHE N N 15 12.72264631 0.058307888 . . . . . . . 27194 2 22 . 1 1 22 22 LEU N N 15 13.88888889 0.050791667 . . . . . . . 27194 2 23 . 1 1 23 23 ALA N N 15 12.53132832 0.037393484 . . . . . . . 27194 2 24 . 1 1 24 24 PHE N N 15 10.91703057 0.111244541 . . . . . . . 27194 2 25 . 1 1 25 25 LEU N N 15 13.88888889 0.013472222 . . . . . . . 27194 2 26 . 1 1 26 26 ASN N N 15 14.22475107 0.024708393 . . . . . . . 27194 2 27 . 1 1 27 27 LYS N N 15 12.36093943 0.034919654 . . . . . . . 27194 2 28 . 1 1 28 28 TYR N N 15 12.61034048 0.020302648 . . . . . . . 27194 2 29 . 1 1 30 30 ASP N N 15 13.96648045 0.058589385 . . . . . . . 27194 2 30 . 1 1 32 32 ARG N N 15 13.67989056 0.01997264 . . . . . . . 27194 2 31 . 1 1 33 33 ARG N N 15 13.00390117 0.042015605 . . . . . . . 27194 2 32 . 1 1 34 34 TYR N N 15 14.57725948 0.032930029 . . . . . . . 27194 2 33 . 1 1 38 38 TYR N N 15 13.67989056 0.044924761 . . . . . . . 27194 2 34 . 1 1 39 39 VAL N N 15 13.28021248 0.037782205 . . . . . . . 27194 2 35 . 1 1 41 41 LYS N N 15 12.37623762 0.054393564 . . . . . . . 27194 2 36 . 1 1 42 42 SER N N 15 12.43781095 0.063830846 . . . . . . . 27194 2 37 . 1 1 43 43 ASP N N 15 11.61440186 0.077793264 . . . . . . . 27194 2 38 . 1 1 44 44 GLN N N 15 12.40694789 0.042692308 . . . . . . . 27194 2 39 . 1 1 45 45 GLU N N 15 11.28668172 0.094480813 . . . . . . . 27194 2 40 . 1 1 47 47 LYS N N 15 13.08900524 0.037120419 . . . . . . . 27194 2 41 . 1 1 48 48 SER N N 15 11.00110011 0.05709571 . . . . . . . 27194 2 42 . 1 1 49 49 MET N N 15 13.28021248 0.035338645 . . . . . . . 27194 2 43 . 1 1 52 52 PHE N N 15 12.62626263 0.051426768 . . . . . . . 27194 2 44 . 1 1 53 53 GLY N N 15 12.77139208 0.064342273 . . . . . . . 27194 2 45 . 1 1 54 54 ASP N N 15 12.67427123 0.081901141 . . . . . . . 27194 2 46 . 1 1 55 55 HIS N N 15 13.49527665 0.060688259 . . . . . . . 27194 2 47 . 1 1 56 56 THR N N 15 14.99250375 0.098410795 . . . . . . . 27194 2 48 . 1 1 57 57 GLU N N 15 13.42281879 0.059194631 . . . . . . . 27194 2 49 . 1 1 58 58 LYS N N 15 14.61988304 0.031871345 . . . . . . . 27194 2 50 . 1 1 59 59 VAL N N 15 13.38688086 0.05270415 . . . . . . . 27194 2 51 . 1 1 60 60 PHE N N 15 15.06024096 0.047243976 . . . . . . . 27194 2 52 . 1 1 61 61 ASN N N 15 13.49527665 0.027165992 . . . . . . . 27194 2 53 . 1 1 62 62 LEU N N 15 14.53488372 0.058880814 . . . . . . . 27194 2 54 . 1 1 63 63 MET N N 15 14.70588235 0.029661765 . . . . . . . 27194 2 55 . 1 1 64 64 MET N N 15 14.81327862 0.022071785 . . . . . . . 27194 2 56 . 1 1 65 65 GLU N N 15 14.47178003 0.050028944 . . . . . . . 27194 2 57 . 1 1 66 66 VAL N N 15 13.75515818 0.023576341 . . . . . . . 27194 2 58 . 1 1 67 67 ALA N N 15 13.44086022 0.057231183 . . . . . . . 27194 2 59 . 1 1 68 68 ASP N N 15 13.6239782 0.046076294 . . . . . . . 27194 2 60 . 1 1 69 69 ARG N N 15 14.92537313 0.029373134 . . . . . . . 27194 2 61 . 1 1 70 70 ALA N N 15 12.39157373 0.051201983 . . . . . . . 27194 2 62 . 1 1 71 71 THR N N 15 12.5 0.1127125 . . . . . . . 27194 2 63 . 1 1 73 73 CYS N N 15 15.79778831 0.139510269 . . . . . . . 27194 2 64 . 1 1 74 74 VAL N N 15 12.7064803 0.052299873 . . . . . . . 27194 2 65 . 1 1 76 76 LEU N N 15 12.59445844 0.089962217 . . . . . . . 27194 2 66 . 1 1 77 77 ALA N N 15 14.92537313 0.05419403 . . . . . . . 27194 2 67 . 1 1 79 79 ASP N N 15 13.24503311 0.031258278 . . . . . . . 27194 2 68 . 1 1 80 80 ALA N N 15 12.87001287 0.047631918 . . . . . . . 27194 2 69 . 1 1 81 81 ASN N N 15 15.69858713 0.055588697 . . . . . . . 27194 2 70 . 1 1 82 82 THR N N 15 15.17450683 0.028710167 . . . . . . . 27194 2 71 . 1 1 83 83 LEU N N 15 15.87301587 0.03847619 . . . . . . . 27194 2 72 . 1 1 84 84 VAL N N 15 14.83679525 0.021409496 . . . . . . . 27194 2 73 . 1 1 85 85 GLN N N 15 15.40832049 0.043775039 . . . . . . . 27194 2 74 . 1 1 86 86 MET N N 15 12.09189843 0.048972189 . . . . . . . 27194 2 75 . 1 1 88 88 GLN N N 15 13.4589502 0.040619112 . . . . . . . 27194 2 76 . 1 1 89 89 HIS N N 15 12.39157373 0.039144981 . . . . . . . 27194 2 77 . 1 1 90 90 SER N N 15 14.12429379 0.029590395 . . . . . . . 27194 2 78 . 1 1 92 92 LEU N N 15 11.62790698 0.08844186 . . . . . . . 27194 2 79 . 1 1 93 93 THR N N 15 11.37656428 0.084755404 . . . . . . . 27194 2 80 . 1 1 94 94 THR N N 15 13.22751323 0.037460317 . . . . . . . 27194 2 81 . 1 1 95 95 GLY N N 15 15.43209877 0.076388889 . . . . . . . 27194 2 82 . 1 1 96 96 ASN N N 15 13.40949929 0.037010218 . . . . . . . 27194 2 83 . 1 1 97 97 PHE N N 15 12.87001287 0.052535393 . . . . . . . 27194 2 84 . 1 1 98 98 GLU N N 15 13.85041551 0.110858726 . . . . . . . 27194 2 85 . 1 1 99 99 LYS N N 15 14.74926254 0.023053097 . . . . . . . 27194 2 86 . 1 1 100 100 LEU N N 15 12.87001287 0.027593308 . . . . . . . 27194 2 87 . 1 1 101 101 PHE N N 15 14.18439716 0.048382979 . . . . . . . 27194 2 88 . 1 1 102 102 VAL N N 15 13.24503311 0.034635762 . . . . . . . 27194 2 89 . 1 1 103 103 ALA N N 15 13.4589502 0.033580081 . . . . . . . 27194 2 90 . 1 1 104 104 LEU N N 15 12.85347044 0.112287918 . . . . . . . 27194 2 91 . 1 1 105 105 VAL N N 15 11.27395716 0.085253664 . . . . . . . 27194 2 92 . 1 1 106 106 GLU N N 15 12.62626263 0.069924242 . . . . . . . 27194 2 93 . 1 1 107 107 TYR N N 15 12.7064803 0.028500635 . . . . . . . 27194 2 94 . 1 1 108 108 MET N N 15 14.30615165 0.049971388 . . . . . . . 27194 2 95 . 1 1 109 109 ARG N N 15 15.38461538 0.113615385 . . . . . . . 27194 2 96 . 1 1 110 110 ALA N N 15 13.71742112 0.0318107 . . . . . . . 27194 2 97 . 1 1 112 112 GLY N N 15 12.7388535 0.057044586 . . . . . . . 27194 2 98 . 1 1 113 113 GLN N N 15 12.31527094 0.056490148 . . . . . . . 27194 2 99 . 1 1 115 115 PHE N N 15 10.29866117 0.127394439 . . . . . . . 27194 2 100 . 1 1 116 116 ASP N N 15 12.16545012 0.066253041 . . . . . . . 27194 2 101 . 1 1 117 117 SER N N 15 12.82051282 0.076653846 . . . . . . . 27194 2 102 . 1 1 118 118 GLN N N 15 13.51351351 0.114121622 . . . . . . . 27194 2 103 . 1 1 119 119 SER N N 15 12.87001287 0.070604891 . . . . . . . 27194 2 104 . 1 1 120 120 TRP N N 15 13.83125864 0.041618257 . . . . . . . 27194 2 105 . 1 1 121 121 ASP N N 15 12.97016861 0.061297017 . . . . . . . 27194 2 106 . 1 1 122 122 ARG N N 15 12.62626263 0.114065657 . . . . . . . 27194 2 107 . 1 1 124 124 GLY N N 15 13.83125864 0.053596127 . . . . . . . 27194 2 108 . 1 1 125 125 LYS N N 15 12.83697047 0.045147625 . . . . . . . 27194 2 109 . 1 1 126 126 ASN N N 15 14.32664756 0.044484241 . . . . . . . 27194 2 110 . 1 1 127 127 LEU N N 15 15.12859304 0.083782148 . . . . . . . 27194 2 111 . 1 1 128 128 VAL N N 15 12.85347044 0.059138817 . . . . . . . 27194 2 112 . 1 1 129 129 SER N N 15 13.29787234 0.050478723 . . . . . . . 27194 2 113 . 1 1 130 130 ALA N N 15 13.28021248 0.093386454 . . . . . . . 27194 2 114 . 1 1 131 131 LEU N N 15 12.62626263 0.037335859 . . . . . . . 27194 2 115 . 1 1 132 132 SER N N 15 14.02524544 0.044684432 . . . . . . . 27194 2 116 . 1 1 133 133 SER N N 15 14.43001443 0.042842713 . . . . . . . 27194 2 117 . 1 1 134 134 ALA N N 15 12.00480192 0.041980792 . . . . . . . 27194 2 118 . 1 1 135 135 GLY N N 15 12.97016861 0.100843061 . . . . . . . 27194 2 119 . 1 1 136 136 MET N N 15 15.7480315 0.055732283 . . . . . . . 27194 2 120 . 1 1 137 137 LYS N N 15 9.090909091 0.452272727 . . . . . . . 27194 2 stop_ save_