data_27129 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27129 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for T94T variant of human liver FABP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-06-09 _Entry.Accession_date 2017-06-09 _Entry.Last_release_date 2017-06-09 _Entry.Original_release_date 2017-06-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Mariapina D'Onofrio . . . . 27129 2 'Carlo Giorgio' Barracchia . . . . 27129 3 Andrea Bortot . . . . 27129 4 Francesca Munari . . . . 27129 5 Serena Zanzoni . . . . 27129 6 Michael Assfalg . . . . 27129 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27129 heteronucl_T1_relaxation 1 27129 heteronucl_T2_relaxation 1 27129 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 239 27129 '15N chemical shifts' 126 27129 '1H chemical shifts' 126 27129 'T1 relaxation values' 109 27129 'T2 relaxation values' 104 27129 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 . . 2017-10-05 2017-06-09 update BMRB 'update entry citation' 27129 1 . . 2017-07-06 2017-06-09 original author 'original release' 27129 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27136 'T94T variant of human liver FABP, in complex with glycocholic acid' 27129 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27129 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.bbapap.2017.06.025 _Citation.PubMed_ID 28668637 _Citation.Full_citation . _Citation.Title ; Molecular differences between human liver fatty acid binding protein and its T94A variant in their unbound and lipid-bound states ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full 'Biochimica et biophysica acta' _Citation.Journal_volume 1865 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0006-3002 _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 1152 _Citation.Page_last 1159 _Citation.Year 2017 _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 Mariapina D'Onofrio . . . . 27129 1 2 'Carlo Giorgio' Barracchia . . . . 27129 1 3 Andrea Bortot . . . . 27129 1 4 Francesca Munari . . . . 27129 1 5 Serena Zanzoni . . . . 27129 1 6 Michael Assfalg . . . . 27129 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27129 _Assembly.ID 1 _Assembly.Name 'hL-FABP apo' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 hL-FABP 1 $hL-FABP A . yes native no no . . . 27129 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hL-FABP _Entity.Sf_category entity _Entity.Sf_framecode hL-FABP _Entity.Entry_ID 27129 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hL-FABP _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 ; MRGSMSFSGKYQLQSQENFE AFMKAIGLPEELIQKGKDIK GVSEIVQNGKHFKFTITAGS KVIQNEFTVGEECELETMTG EKVKTVVQLEGDNKLVTTFK NIKSVTELNGDIITNTMTLG DIVFKRISKRILVPR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '-3M, -2R, -1G, 0S, 1M,' _Entity.Polymer_author_seq_details 'First and last four residues are added for cloning and tag purposes' _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 135 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'T94T variant' _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 -3 MET . 27129 1 2 -2 ARG . 27129 1 3 -1 GLY . 27129 1 4 0 SER . 27129 1 5 1 MET . 27129 1 6 2 SER . 27129 1 7 3 PHE . 27129 1 8 4 SER . 27129 1 9 5 GLY . 27129 1 10 6 LYS . 27129 1 11 7 TYR . 27129 1 12 8 GLN . 27129 1 13 9 LEU . 27129 1 14 10 GLN . 27129 1 15 11 SER . 27129 1 16 12 GLN . 27129 1 17 13 GLU . 27129 1 18 14 ASN . 27129 1 19 15 PHE . 27129 1 20 16 GLU . 27129 1 21 17 ALA . 27129 1 22 18 PHE . 27129 1 23 19 MET . 27129 1 24 20 LYS . 27129 1 25 21 ALA . 27129 1 26 22 ILE . 27129 1 27 23 GLY . 27129 1 28 24 LEU . 27129 1 29 25 PRO . 27129 1 30 26 GLU . 27129 1 31 27 GLU . 27129 1 32 28 LEU . 27129 1 33 29 ILE . 27129 1 34 30 GLN . 27129 1 35 31 LYS . 27129 1 36 32 GLY . 27129 1 37 33 LYS . 27129 1 38 34 ASP . 27129 1 39 35 ILE . 27129 1 40 36 LYS . 27129 1 41 37 GLY . 27129 1 42 38 VAL . 27129 1 43 39 SER . 27129 1 44 40 GLU . 27129 1 45 41 ILE . 27129 1 46 42 VAL . 27129 1 47 43 GLN . 27129 1 48 44 ASN . 27129 1 49 45 GLY . 27129 1 50 46 LYS . 27129 1 51 47 HIS . 27129 1 52 48 PHE . 27129 1 53 49 LYS . 27129 1 54 50 PHE . 27129 1 55 51 THR . 27129 1 56 52 ILE . 27129 1 57 53 THR . 27129 1 58 54 ALA . 27129 1 59 55 GLY . 27129 1 60 56 SER . 27129 1 61 57 LYS . 27129 1 62 58 VAL . 27129 1 63 59 ILE . 27129 1 64 60 GLN . 27129 1 65 61 ASN . 27129 1 66 62 GLU . 27129 1 67 63 PHE . 27129 1 68 64 THR . 27129 1 69 65 VAL . 27129 1 70 66 GLY . 27129 1 71 67 GLU . 27129 1 72 68 GLU . 27129 1 73 69 CYS . 27129 1 74 70 GLU . 27129 1 75 71 LEU . 27129 1 76 72 GLU . 27129 1 77 73 THR . 27129 1 78 74 MET . 27129 1 79 75 THR . 27129 1 80 76 GLY . 27129 1 81 77 GLU . 27129 1 82 78 LYS . 27129 1 83 79 VAL . 27129 1 84 80 LYS . 27129 1 85 81 THR . 27129 1 86 82 VAL . 27129 1 87 83 VAL . 27129 1 88 84 GLN . 27129 1 89 85 LEU . 27129 1 90 86 GLU . 27129 1 91 87 GLY . 27129 1 92 88 ASP . 27129 1 93 89 ASN . 27129 1 94 90 LYS . 27129 1 95 91 LEU . 27129 1 96 92 VAL . 27129 1 97 93 THR . 27129 1 98 94 THR . 27129 1 99 95 PHE . 27129 1 100 96 LYS . 27129 1 101 97 ASN . 27129 1 102 98 ILE . 27129 1 103 99 LYS . 27129 1 104 100 SER . 27129 1 105 101 VAL . 27129 1 106 102 THR . 27129 1 107 103 GLU . 27129 1 108 104 LEU . 27129 1 109 105 ASN . 27129 1 110 106 GLY . 27129 1 111 107 ASP . 27129 1 112 108 ILE . 27129 1 113 109 ILE . 27129 1 114 110 THR . 27129 1 115 111 ASN . 27129 1 116 112 THR . 27129 1 117 113 MET . 27129 1 118 114 THR . 27129 1 119 115 LEU . 27129 1 120 116 GLY . 27129 1 121 117 ASP . 27129 1 122 118 ILE . 27129 1 123 119 VAL . 27129 1 124 120 PHE . 27129 1 125 121 LYS . 27129 1 126 122 ARG . 27129 1 127 123 ILE . 27129 1 128 124 SER . 27129 1 129 125 LYS . 27129 1 130 126 ARG . 27129 1 131 127 ILE . 27129 1 132 128 LEU . 27129 1 133 129 VAL . 27129 1 134 130 PRO . 27129 1 135 131 ARG . 27129 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27129 1 . ARG 2 2 27129 1 . GLY 3 3 27129 1 . SER 4 4 27129 1 . MET 5 5 27129 1 . SER 6 6 27129 1 . PHE 7 7 27129 1 . SER 8 8 27129 1 . GLY 9 9 27129 1 . LYS 10 10 27129 1 . TYR 11 11 27129 1 . GLN 12 12 27129 1 . LEU 13 13 27129 1 . GLN 14 14 27129 1 . SER 15 15 27129 1 . GLN 16 16 27129 1 . GLU 17 17 27129 1 . ASN 18 18 27129 1 . PHE 19 19 27129 1 . GLU 20 20 27129 1 . ALA 21 21 27129 1 . PHE 22 22 27129 1 . MET 23 23 27129 1 . LYS 24 24 27129 1 . ALA 25 25 27129 1 . ILE 26 26 27129 1 . GLY 27 27 27129 1 . LEU 28 28 27129 1 . PRO 29 29 27129 1 . GLU 30 30 27129 1 . GLU 31 31 27129 1 . LEU 32 32 27129 1 . ILE 33 33 27129 1 . GLN 34 34 27129 1 . LYS 35 35 27129 1 . GLY 36 36 27129 1 . LYS 37 37 27129 1 . ASP 38 38 27129 1 . ILE 39 39 27129 1 . LYS 40 40 27129 1 . GLY 41 41 27129 1 . VAL 42 42 27129 1 . SER 43 43 27129 1 . GLU 44 44 27129 1 . ILE 45 45 27129 1 . VAL 46 46 27129 1 . GLN 47 47 27129 1 . ASN 48 48 27129 1 . GLY 49 49 27129 1 . LYS 50 50 27129 1 . HIS 51 51 27129 1 . PHE 52 52 27129 1 . LYS 53 53 27129 1 . PHE 54 54 27129 1 . THR 55 55 27129 1 . ILE 56 56 27129 1 . THR 57 57 27129 1 . ALA 58 58 27129 1 . GLY 59 59 27129 1 . SER 60 60 27129 1 . LYS 61 61 27129 1 . VAL 62 62 27129 1 . ILE 63 63 27129 1 . GLN 64 64 27129 1 . ASN 65 65 27129 1 . GLU 66 66 27129 1 . PHE 67 67 27129 1 . THR 68 68 27129 1 . VAL 69 69 27129 1 . GLY 70 70 27129 1 . GLU 71 71 27129 1 . GLU 72 72 27129 1 . CYS 73 73 27129 1 . GLU 74 74 27129 1 . LEU 75 75 27129 1 . GLU 76 76 27129 1 . THR 77 77 27129 1 . MET 78 78 27129 1 . THR 79 79 27129 1 . GLY 80 80 27129 1 . GLU 81 81 27129 1 . LYS 82 82 27129 1 . VAL 83 83 27129 1 . LYS 84 84 27129 1 . THR 85 85 27129 1 . VAL 86 86 27129 1 . VAL 87 87 27129 1 . GLN 88 88 27129 1 . LEU 89 89 27129 1 . GLU 90 90 27129 1 . GLY 91 91 27129 1 . ASP 92 92 27129 1 . ASN 93 93 27129 1 . LYS 94 94 27129 1 . LEU 95 95 27129 1 . VAL 96 96 27129 1 . THR 97 97 27129 1 . THR 98 98 27129 1 . PHE 99 99 27129 1 . LYS 100 100 27129 1 . ASN 101 101 27129 1 . ILE 102 102 27129 1 . LYS 103 103 27129 1 . SER 104 104 27129 1 . VAL 105 105 27129 1 . THR 106 106 27129 1 . GLU 107 107 27129 1 . LEU 108 108 27129 1 . ASN 109 109 27129 1 . GLY 110 110 27129 1 . ASP 111 111 27129 1 . ILE 112 112 27129 1 . ILE 113 113 27129 1 . THR 114 114 27129 1 . ASN 115 115 27129 1 . THR 116 116 27129 1 . MET 117 117 27129 1 . THR 118 118 27129 1 . LEU 119 119 27129 1 . GLY 120 120 27129 1 . ASP 121 121 27129 1 . ILE 122 122 27129 1 . VAL 123 123 27129 1 . PHE 124 124 27129 1 . LYS 125 125 27129 1 . ARG 126 126 27129 1 . ILE 127 127 27129 1 . SER 128 128 27129 1 . LYS 129 129 27129 1 . ARG 130 130 27129 1 . ILE 131 131 27129 1 . LEU 132 132 27129 1 . VAL 133 133 27129 1 . PRO 134 134 27129 1 . ARG 135 135 27129 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 27129 _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 $hL-FABP . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27129 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 27129 _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 $hL-FABP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pQE50 . . . 27129 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27129 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'human liver fatty acid binding protein' '[U-100% 13C; U-100% 15N]' . . 1 $hL-FABP . . 0.5 . . mM . . . . 27129 1 2 'phosphate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 27129 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27129 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'human liver fatty acid binding protein' '[U-100% 15N]' . . 1 $hL-FABP . . 0.5 . . mM . . . . 27129 2 2 'phosphate buffer' 'natural abundance' . . . . . . 10 . . mM . . . . 27129 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27129 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 . mM 27129 1 pH 6.5 . pH 27129 1 pressure 1 . atm 27129 1 temperature 298 . K 27129 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 27129 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 27129 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27129 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 27129 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryo probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 27129 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 'with cryo probe' . . 27129 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 27129 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27129 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27129 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27129 1 4 'standard Heteronuclear 15N T1' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27129 1 5 'standard Heteronuclear 15N T2' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27129 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27129 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP protons . . . . ppm 0.00 external indirect 0.251449530 . . . . . 27129 1 H 1 TSP protons . . . . ppm 0.00 external direct 1.00 . . . . . 27129 1 N 15 TSP protons . . . . ppm 0.00 external indirect 0.101329118 . . . . . 27129 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27129 _Assigned_chem_shift_list.ID 1 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 '2D 1H-15N HSQC' . . . 27129 1 2 '3D CBCA(CO)NH' . . . 27129 1 3 '3D HNCACB' . . . 27129 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 SER H H 1 8.183 0.02 . 1 . . . . 0 SER H . 27129 1 2 . 1 1 4 4 SER CA C 13 58.427 0.3 . 1 . . . . 0 SER CA . 27129 1 3 . 1 1 4 4 SER CB C 13 64 0.3 . 1 . . . . 0 SER CB . 27129 1 4 . 1 1 4 4 SER N N 15 115.366 0.2 . 1 . . . . 0 SER N . 27129 1 5 . 1 1 5 5 MET H H 1 8.432 0.02 . 1 . . . . 1 MET H . 27129 1 6 . 1 1 5 5 MET CA C 13 55.273 0.3 . 1 . . . . 1 MET CA . 27129 1 7 . 1 1 5 5 MET CB C 13 32.913 0.3 . 1 . . . . 1 MET CB . 27129 1 8 . 1 1 5 5 MET N N 15 122.181 0.2 . 1 . . . . 1 MET N . 27129 1 9 . 1 1 6 6 SER H H 1 8.145 0.02 . 1 . . . . 2 SER H . 27129 1 10 . 1 1 6 6 SER CA C 13 57.358 0.3 . 1 . . . . 2 SER CA . 27129 1 11 . 1 1 6 6 SER CB C 13 64.229 0.3 . 1 . . . . 2 SER CB . 27129 1 12 . 1 1 6 6 SER N N 15 116.625 0.2 . 1 . . . . 2 SER N . 27129 1 13 . 1 1 7 7 PHE H H 1 9.566 0.02 . 1 . . . . 3 PHE H . 27129 1 14 . 1 1 7 7 PHE CA C 13 59.76 0.3 . 1 . . . . 3 PHE CA . 27129 1 15 . 1 1 7 7 PHE CB C 13 40.882 0.3 . 1 . . . . 3 PHE CB . 27129 1 16 . 1 1 7 7 PHE N N 15 122.533 0.2 . 1 . . . . 3 PHE N . 27129 1 17 . 1 1 8 8 SER H H 1 8.332 0.02 . 1 . . . . 4 SER H . 27129 1 18 . 1 1 8 8 SER CA C 13 59.993 0.3 . 1 . . . . 4 SER CA . 27129 1 19 . 1 1 8 8 SER CB C 13 63.781 0.3 . 1 . . . . 4 SER CB . 27129 1 20 . 1 1 8 8 SER N N 15 116.323 0.2 . 1 . . . . 4 SER N . 27129 1 21 . 1 1 9 9 GLY H H 1 8.949 0.02 . 1 . . . . 5 GLY H . 27129 1 22 . 1 1 9 9 GLY CA C 13 44.914 0.3 . 1 . . . . 5 GLY CA . 27129 1 23 . 1 1 9 9 GLY N N 15 110.766 0.2 . 1 . . . . 5 GLY N . 27129 1 24 . 1 1 10 10 LYS H H 1 8.034 0.02 . 1 . . . . 6 LYS H . 27129 1 25 . 1 1 10 10 LYS CA C 13 55.273 0.3 . 1 . . . . 6 LYS CA . 27129 1 26 . 1 1 10 10 LYS CB C 13 35.002 0.3 . 1 . . . . 6 LYS CB . 27129 1 27 . 1 1 10 10 LYS N N 15 119.144 0.2 . 1 . . . . 6 LYS N . 27129 1 28 . 1 1 11 11 TYR H H 1 9.243 0.02 . 1 . . . . 7 TYR H . 27129 1 29 . 1 1 11 11 TYR CA C 13 56.046 0.3 . 1 . . . . 7 TYR CA . 27129 1 30 . 1 1 11 11 TYR CB C 13 41.578 0.3 . 1 . . . . 7 TYR CB . 27129 1 31 . 1 1 11 11 TYR N N 15 120.055 0.2 . 1 . . . . 7 TYR N . 27129 1 32 . 1 1 12 12 GLN H H 1 9.057 0.02 . 1 . . . . 8 GLN H . 27129 1 33 . 1 1 12 12 GLN CA C 13 54.267 0.3 . 1 . . . . 8 GLN CA . 27129 1 34 . 1 1 12 12 GLN CB C 13 31.21 0.3 . 1 . . . . 8 GLN CB . 27129 1 35 . 1 1 12 12 GLN N N 15 124.22 0.2 . 1 . . . . 8 GLN N . 27129 1 36 . 1 1 13 13 LEU H H 1 8.575 0.02 . 1 . . . . 9 LEU H . 27129 1 37 . 1 1 13 13 LEU CA C 13 57.516 0.3 . 1 . . . . 9 LEU CA . 27129 1 38 . 1 1 13 13 LEU CB C 13 42.584 0.3 . 1 . . . . 9 LEU CB . 27129 1 39 . 1 1 13 13 LEU N N 15 132.089 0.2 . 1 . . . . 9 LEU N . 27129 1 40 . 1 1 14 14 GLN H H 1 10.041 0.02 . 1 . . . . 10 GLN H . 27129 1 41 . 1 1 14 14 GLN CA C 13 56.201 0.3 . 1 . . . . 10 GLN CA . 27129 1 42 . 1 1 14 14 GLN CB C 13 31.675 0.3 . 1 . . . . 10 GLN CB . 27129 1 43 . 1 1 14 14 GLN N N 15 125.999 0.2 . 1 . . . . 10 GLN N . 27129 1 44 . 1 1 15 15 SER H H 1 7.945 0.02 . 1 . . . . 11 SER H . 27129 1 45 . 1 1 15 15 SER CA C 13 57.587 0.3 . 1 . . . . 11 SER CA . 27129 1 46 . 1 1 15 15 SER CB C 13 64.916 0.3 . 1 . . . . 11 SER CB . 27129 1 47 . 1 1 15 15 SER N N 15 110.823 0.2 . 1 . . . . 11 SER N . 27129 1 48 . 1 1 16 16 GLN H H 1 8.579 0.02 . 1 . . . . 12 GLN H . 27129 1 49 . 1 1 16 16 GLN CA C 13 54.152 0.3 . 1 . . . . 12 GLN CA . 27129 1 50 . 1 1 16 16 GLN CB C 13 32.699 0.3 . 1 . . . . 12 GLN CB . 27129 1 51 . 1 1 16 16 GLN N N 15 116.452 0.2 . 1 . . . . 12 GLN N . 27129 1 52 . 1 1 17 17 GLU H H 1 9.059 0.02 . 1 . . . . 13 GLU H . 27129 1 53 . 1 1 17 17 GLU CA C 13 55.195 0.3 . 1 . . . . 13 GLU CA . 27129 1 54 . 1 1 17 17 GLU CB C 13 33.841 0.3 . 1 . . . . 13 GLU CB . 27129 1 55 . 1 1 17 17 GLU N N 15 120.79 0.2 . 1 . . . . 13 GLU N . 27129 1 56 . 1 1 18 18 ASN H H 1 9.237 0.02 . 1 . . . . 14 ASN H . 27129 1 57 . 1 1 18 18 ASN CA C 13 54.499 0.3 . 1 . . . . 14 ASN CA . 27129 1 58 . 1 1 18 18 ASN CB C 13 36.162 0.3 . 1 . . . . 14 ASN CB . 27129 1 59 . 1 1 18 18 ASN N N 15 116.771 0.2 . 1 . . . . 14 ASN N . 27129 1 60 . 1 1 19 19 PHE H H 1 8.428 0.02 . 1 . . . . 15 PHE H . 27129 1 61 . 1 1 19 19 PHE CA C 13 62.236 0.3 . 1 . . . . 15 PHE CA . 27129 1 62 . 1 1 19 19 PHE CB C 13 40.031 0.3 . 1 . . . . 15 PHE CB . 27129 1 63 . 1 1 19 19 PHE N N 15 117.957 0.2 . 1 . . . . 15 PHE N . 27129 1 64 . 1 1 20 20 GLU H H 1 9.477 0.02 . 1 . . . . 16 GLU H . 27129 1 65 . 1 1 20 20 GLU CA C 13 61.308 0.3 . 1 . . . . 16 GLU CA . 27129 1 66 . 1 1 20 20 GLU CB C 13 28.58 0.3 . 1 . . . . 16 GLU CB . 27129 1 67 . 1 1 20 20 GLU N N 15 118.347 0.2 . 1 . . . . 16 GLU N . 27129 1 68 . 1 1 21 21 ALA H H 1 8.27 0.02 . 1 . . . . 17 ALA H . 27129 1 69 . 1 1 21 21 ALA CA C 13 54.731 0.3 . 1 . . . . 17 ALA CA . 27129 1 70 . 1 1 21 21 ALA CB C 13 18.367 0.3 . 1 . . . . 17 ALA CB . 27129 1 71 . 1 1 21 21 ALA N N 15 119.561 0.2 . 1 . . . . 17 ALA N . 27129 1 72 . 1 1 22 22 PHE H H 1 7.803 0.02 . 1 . . . . 18 PHE H . 27129 1 73 . 1 1 22 22 PHE CA C 13 62.081 0.3 . 1 . . . . 18 PHE CA . 27129 1 74 . 1 1 22 22 PHE CB C 13 40.031 0.3 . 1 . . . . 18 PHE CB . 27129 1 75 . 1 1 22 22 PHE N N 15 118.384 0.2 . 1 . . . . 18 PHE N . 27129 1 76 . 1 1 23 23 MET H H 1 8.116 0.02 . 1 . . . . 19 MET H . 27129 1 77 . 1 1 23 23 MET CA C 13 55.892 0.3 . 1 . . . . 19 MET CA . 27129 1 78 . 1 1 23 23 MET CB C 13 31.288 0.3 . 1 . . . . 19 MET CB . 27129 1 79 . 1 1 23 23 MET N N 15 114.433 0.2 . 1 . . . . 19 MET N . 27129 1 80 . 1 1 24 24 LYS H H 1 8.025 0.02 . 1 . . . . 20 LYS H . 27129 1 81 . 1 1 24 24 LYS CA C 13 59.141 0.3 . 1 . . . . 20 LYS CA . 27129 1 82 . 1 1 24 24 LYS CB C 13 32.216 0.3 . 1 . . . . 20 LYS CB . 27129 1 83 . 1 1 24 24 LYS N N 15 118.81 0.2 . 1 . . . . 20 LYS N . 27129 1 84 . 1 1 25 25 ALA H H 1 7.43 0.02 . 1 . . . . 21 ALA H . 27129 1 85 . 1 1 25 25 ALA CA C 13 54.731 0.3 . 1 . . . . 21 ALA CA . 27129 1 86 . 1 1 25 25 ALA CB C 13 18.212 0.3 . 1 . . . . 21 ALA CB . 27129 1 87 . 1 1 25 25 ALA N N 15 122.889 0.2 . 1 . . . . 21 ALA N . 27129 1 88 . 1 1 26 26 ILE H H 1 7.299 0.02 . 1 . . . . 22 ILE H . 27129 1 89 . 1 1 26 26 ILE CA C 13 61.54 0.3 . 1 . . . . 22 ILE CA . 27129 1 90 . 1 1 26 26 ILE CB C 13 37.632 0.3 . 1 . . . . 22 ILE CB . 27129 1 91 . 1 1 26 26 ILE N N 15 109.514 0.2 . 1 . . . . 22 ILE N . 27129 1 92 . 1 1 27 27 GLY H H 1 7.354 0.02 . 1 . . . . 23 GLY H . 27129 1 93 . 1 1 27 27 GLY CA C 13 45.525 0.3 . 1 . . . . 23 GLY CA . 27129 1 94 . 1 1 27 27 GLY N N 15 108.226 0.2 . 1 . . . . 23 GLY N . 27129 1 95 . 1 1 28 28 LEU H H 1 7.796 0.02 . 1 . . . . 24 LEU H . 27129 1 96 . 1 1 28 28 LEU CA C 13 53.648 0.3 . 1 . . . . 24 LEU CA . 27129 1 97 . 1 1 28 28 LEU CB C 13 42.042 0.3 . 1 . . . . 24 LEU CB . 27129 1 98 . 1 1 28 28 LEU N N 15 124.274 0.2 . 1 . . . . 24 LEU N . 27129 1 99 . 1 1 30 30 GLU H H 1 8.717 0.02 . 1 . . . . 26 GLU H . 27129 1 100 . 1 1 30 30 GLU CA C 13 59.915 0.3 . 1 . . . . 26 GLU CA . 27129 1 101 . 1 1 30 30 GLU CB C 13 29.586 0.3 . 1 . . . . 26 GLU CB . 27129 1 102 . 1 1 30 30 GLU N N 15 123.997 0.2 . 1 . . . . 26 GLU N . 27129 1 103 . 1 1 31 31 GLU H H 1 9.244 0.02 . 1 . . . . 27 GLU H . 27129 1 104 . 1 1 31 31 GLU CA C 13 59.528 0.3 . 1 . . . . 27 GLU CA . 27129 1 105 . 1 1 31 31 GLU CB C 13 29.044 0.3 . 1 . . . . 27 GLU CB . 27129 1 106 . 1 1 31 31 GLU N N 15 117.364 0.2 . 1 . . . . 27 GLU N . 27129 1 107 . 1 1 32 32 LEU H H 1 7.115 0.02 . 1 . . . . 28 LEU H . 27129 1 108 . 1 1 32 32 LEU CA C 13 56.747 0.3 . 1 . . . . 28 LEU CA . 27129 1 109 . 1 1 32 32 LEU CB C 13 41.478 0.3 . 1 . . . . 28 LEU CB . 27129 1 110 . 1 1 32 32 LEU N N 15 117.445 0.2 . 1 . . . . 28 LEU N . 27129 1 111 . 1 1 33 33 ILE H H 1 7.761 0.02 . 1 . . . . 29 ILE H . 27129 1 112 . 1 1 33 33 ILE CA C 13 66.105 0.3 . 1 . . . . 29 ILE CA . 27129 1 113 . 1 1 33 33 ILE CB C 13 37.632 0.3 . 1 . . . . 29 ILE CB . 27129 1 114 . 1 1 33 33 ILE N N 15 123.186 0.2 . 1 . . . . 29 ILE N . 27129 1 115 . 1 1 34 34 GLN H H 1 8.163 0.02 . 1 . . . . 30 GLN H . 27129 1 116 . 1 1 34 34 GLN CA C 13 58.49 0.3 . 1 . . . . 30 GLN CA . 27129 1 117 . 1 1 34 34 GLN CB C 13 27.918 0.3 . 1 . . . . 30 GLN CB . 27129 1 118 . 1 1 34 34 GLN N N 15 116.625 0.2 . 1 . . . . 30 GLN N . 27129 1 119 . 1 1 35 35 LYS H H 1 7.5 0.02 . 1 . . . . 31 LYS H . 27129 1 120 . 1 1 35 35 LYS CA C 13 57.969 0.3 . 1 . . . . 31 LYS CA . 27129 1 121 . 1 1 35 35 LYS CB C 13 33.004 0.3 . 1 . . . . 31 LYS CB . 27129 1 122 . 1 1 35 35 LYS N N 15 115.805 0.2 . 1 . . . . 31 LYS N . 27129 1 123 . 1 1 36 36 GLY H H 1 7.791 0.02 . 1 . . . . 32 GLY H . 27129 1 124 . 1 1 36 36 GLY CA C 13 45.83 0.3 . 1 . . . . 32 GLY CA . 27129 1 125 . 1 1 36 36 GLY N N 15 105.355 0.2 . 1 . . . . 32 GLY N . 27129 1 126 . 1 1 37 37 LYS H H 1 7.411 0.02 . 1 . . . . 33 LYS H . 27129 1 127 . 1 1 37 37 LYS CA C 13 58.832 0.3 . 1 . . . . 33 LYS CA . 27129 1 128 . 1 1 37 37 LYS CB C 13 32.062 0.3 . 1 . . . . 33 LYS CB . 27129 1 129 . 1 1 37 37 LYS N N 15 119.654 0.2 . 1 . . . . 33 LYS N . 27129 1 130 . 1 1 38 38 ASP H H 1 7.77 0.02 . 1 . . . . 34 ASP H . 27129 1 131 . 1 1 38 38 ASP CA C 13 53.999 0.3 . 1 . . . . 34 ASP CA . 27129 1 132 . 1 1 38 38 ASP CB C 13 41.478 0.3 . 1 . . . . 34 ASP CB . 27129 1 133 . 1 1 38 38 ASP N N 15 117.143 0.2 . 1 . . . . 34 ASP N . 27129 1 134 . 1 1 39 39 ILE H H 1 7.086 0.02 . 1 . . . . 35 ILE H . 27129 1 135 . 1 1 39 39 ILE CA C 13 61.153 0.3 . 1 . . . . 35 ILE CA . 27129 1 136 . 1 1 39 39 ILE CB C 13 37.632 0.3 . 1 . . . . 35 ILE CB . 27129 1 137 . 1 1 39 39 ILE N N 15 120.247 0.2 . 1 . . . . 35 ILE N . 27129 1 138 . 1 1 40 40 LYS H H 1 8.628 0.02 . 1 . . . . 36 LYS H . 27129 1 139 . 1 1 40 40 LYS CA C 13 54.963 0.3 . 1 . . . . 36 LYS CA . 27129 1 140 . 1 1 40 40 LYS CB C 13 31.597 0.3 . 1 . . . . 36 LYS CB . 27129 1 141 . 1 1 40 40 LYS N N 15 128.655 0.2 . 1 . . . . 36 LYS N . 27129 1 142 . 1 1 41 41 GLY H H 1 7.848 0.02 . 1 . . . . 37 GLY H . 27129 1 143 . 1 1 41 41 GLY CA C 13 45.219 0.3 . 1 . . . . 37 GLY CA . 27129 1 144 . 1 1 41 41 GLY N N 15 110.996 0.2 . 1 . . . . 37 GLY N . 27129 1 145 . 1 1 42 42 VAL H H 1 8.29 0.02 . 1 . . . . 38 VAL H . 27129 1 146 . 1 1 42 42 VAL CA C 13 60.998 0.3 . 1 . . . . 38 VAL CA . 27129 1 147 . 1 1 42 42 VAL CB C 13 35.002 0.3 . 1 . . . . 38 VAL CB . 27129 1 148 . 1 1 42 42 VAL N N 15 120.34 0.2 . 1 . . . . 38 VAL N . 27129 1 149 . 1 1 43 43 SER H H 1 9.144 0.02 . 1 . . . . 39 SER H . 27129 1 150 . 1 1 43 43 SER CA C 13 57.284 0.3 . 1 . . . . 39 SER CA . 27129 1 151 . 1 1 43 43 SER CB C 13 65.408 0.3 . 1 . . . . 39 SER CB . 27129 1 152 . 1 1 43 43 SER N N 15 121.402 0.2 . 1 . . . . 39 SER N . 27129 1 153 . 1 1 44 44 GLU H H 1 9.377 0.02 . 1 . . . . 40 GLU H . 27129 1 154 . 1 1 44 44 GLU CA C 13 55.041 0.3 . 1 . . . . 40 GLU CA . 27129 1 155 . 1 1 44 44 GLU CB C 13 32.448 0.3 . 1 . . . . 40 GLU CB . 27129 1 156 . 1 1 44 44 GLU N N 15 125.461 0.2 . 1 . . . . 40 GLU N . 27129 1 157 . 1 1 45 45 ILE H H 1 9.308 0.02 . 1 . . . . 41 ILE H . 27129 1 158 . 1 1 45 45 ILE CA C 13 59.992 0.3 . 1 . . . . 41 ILE CA . 27129 1 159 . 1 1 45 45 ILE CB C 13 40.185 0.3 . 1 . . . . 41 ILE CB . 27129 1 160 . 1 1 45 45 ILE N N 15 125.777 0.2 . 1 . . . . 41 ILE N . 27129 1 161 . 1 1 46 46 VAL H H 1 8.999 0.02 . 1 . . . . 42 VAL H . 27129 1 162 . 1 1 46 46 VAL CA C 13 62.236 0.3 . 1 . . . . 42 VAL CA . 27129 1 163 . 1 1 46 46 VAL CB C 13 33.996 0.3 . 1 . . . . 42 VAL CB . 27129 1 164 . 1 1 46 46 VAL N N 15 128.499 0.2 . 1 . . . . 42 VAL N . 27129 1 165 . 1 1 47 47 GLN H H 1 8.515 0.02 . 1 . . . . 43 GLN H . 27129 1 166 . 1 1 47 47 GLN CA C 13 53.648 0.3 . 1 . . . . 43 GLN CA . 27129 1 167 . 1 1 47 47 GLN CB C 13 29.818 0.3 . 1 . . . . 43 GLN CB . 27129 1 168 . 1 1 47 47 GLN N N 15 131.001 0.2 . 1 . . . . 43 GLN N . 27129 1 169 . 1 1 48 48 ASN H H 1 8.965 0.02 . 1 . . . . 44 ASN H . 27129 1 170 . 1 1 48 48 ASN CA C 13 52.101 0.3 . 1 . . . . 44 ASN CA . 27129 1 171 . 1 1 48 48 ASN CB C 13 39.566 0.3 . 1 . . . . 44 ASN CB . 27129 1 172 . 1 1 48 48 ASN N N 15 127.037 0.2 . 1 . . . . 44 ASN N . 27129 1 173 . 1 1 50 50 LYS H H 1 8.725 0.02 . 1 . . . . 46 LYS H . 27129 1 174 . 1 1 50 50 LYS CA C 13 56.588 0.3 . 1 . . . . 46 LYS CA . 27129 1 175 . 1 1 50 50 LYS CB C 13 33.377 0.3 . 1 . . . . 46 LYS CB . 27129 1 176 . 1 1 50 50 LYS N N 15 126.09 0.2 . 1 . . . . 46 LYS N . 27129 1 177 . 1 1 51 51 HIS H H 1 7.976 0.02 . 1 . . . . 47 HIS H . 27129 1 178 . 1 1 51 51 HIS CA C 13 56.046 0.3 . 1 . . . . 47 HIS CA . 27129 1 179 . 1 1 51 51 HIS CB C 13 31.443 0.3 . 1 . . . . 47 HIS CB . 27129 1 180 . 1 1 51 51 HIS N N 15 120.34 0.2 . 1 . . . . 47 HIS N . 27129 1 181 . 1 1 52 52 PHE H H 1 8.775 0.02 . 1 . . . . 48 PHE H . 27129 1 182 . 1 1 52 52 PHE CA C 13 56.588 0.3 . 1 . . . . 48 PHE CA . 27129 1 183 . 1 1 52 52 PHE CB C 13 43.899 0.3 . 1 . . . . 48 PHE CB . 27129 1 184 . 1 1 52 52 PHE N N 15 124.498 0.2 . 1 . . . . 48 PHE N . 27129 1 185 . 1 1 53 53 LYS H H 1 8.247 0.02 . 1 . . . . 49 LYS H . 27129 1 186 . 1 1 53 53 LYS CA C 13 55.814 0.3 . 1 . . . . 49 LYS CA . 27129 1 187 . 1 1 53 53 LYS CB C 13 35.388 0.3 . 1 . . . . 49 LYS CB . 27129 1 188 . 1 1 53 53 LYS N N 15 118.699 0.2 . 1 . . . . 49 LYS N . 27129 1 189 . 1 1 54 54 PHE H H 1 9.46 0.02 . 1 . . . . 50 PHE H . 27129 1 190 . 1 1 54 54 PHE CA C 13 56.046 0.3 . 1 . . . . 50 PHE CA . 27129 1 191 . 1 1 54 54 PHE CB C 13 42.893 0.3 . 1 . . . . 50 PHE CB . 27129 1 192 . 1 1 54 54 PHE N N 15 127.445 0.2 . 1 . . . . 50 PHE N . 27129 1 193 . 1 1 55 55 THR H H 1 9.317 0.02 . 1 . . . . 51 THR H . 27129 1 194 . 1 1 55 55 THR CA C 13 62.623 0.3 . 1 . . . . 51 THR CA . 27129 1 195 . 1 1 55 55 THR CB C 13 70.128 0.3 . 1 . . . . 51 THR CB . 27129 1 196 . 1 1 55 55 THR N N 15 121.328 0.2 . 1 . . . . 51 THR N . 27129 1 197 . 1 1 56 56 ILE H H 1 9.299 0.02 . 1 . . . . 52 ILE H . 27129 1 198 . 1 1 56 56 ILE CA C 13 59.915 0.3 . 1 . . . . 52 ILE CA . 27129 1 199 . 1 1 56 56 ILE CB C 13 41.191 0.3 . 1 . . . . 52 ILE CB . 27129 1 200 . 1 1 56 56 ILE N N 15 127.704 0.2 . 1 . . . . 52 ILE N . 27129 1 201 . 1 1 57 57 THR H H 1 8.544 0.02 . 1 . . . . 53 THR H . 27129 1 202 . 1 1 57 57 THR CA C 13 61.849 0.3 . 1 . . . . 53 THR CA . 27129 1 203 . 1 1 57 57 THR CB C 13 69.431 0.3 . 1 . . . . 53 THR CB . 27129 1 204 . 1 1 57 57 THR N N 15 122.032 0.2 . 1 . . . . 53 THR N . 27129 1 205 . 1 1 58 58 ALA H H 1 8.806 0.02 . 1 . . . . 54 ALA H . 27129 1 206 . 1 1 58 58 ALA CA C 13 50.708 0.3 . 1 . . . . 54 ALA CA . 27129 1 207 . 1 1 58 58 ALA CB C 13 19.295 0.3 . 1 . . . . 54 ALA CB . 27129 1 208 . 1 1 58 58 ALA N N 15 131.224 0.2 . 1 . . . . 54 ALA N . 27129 1 209 . 1 1 59 59 GLY H H 1 8.903 0.02 . 1 . . . . 55 GLY H . 27129 1 210 . 1 1 59 59 GLY CA C 13 46.975 0.3 . 1 . . . . 55 GLY CA . 27129 1 211 . 1 1 59 59 GLY N N 15 114.809 0.2 . 1 . . . . 55 GLY N . 27129 1 212 . 1 1 61 61 LYS H H 1 7.681 0.02 . 1 . . . . 57 LYS H . 27129 1 213 . 1 1 61 61 LYS CA C 13 55.35 0.3 . 1 . . . . 57 LYS CA . 27129 1 214 . 1 1 61 61 LYS CB C 13 34.073 0.3 . 1 . . . . 57 LYS CB . 27129 1 215 . 1 1 61 61 LYS N N 15 122.926 0.2 . 1 . . . . 57 LYS N . 27129 1 216 . 1 1 62 62 VAL H H 1 8.441 0.02 . 1 . . . . 58 VAL H . 27129 1 217 . 1 1 62 62 VAL CA C 13 61.54 0.3 . 1 . . . . 58 VAL CA . 27129 1 218 . 1 1 62 62 VAL CB C 13 33.686 0.3 . 1 . . . . 58 VAL CB . 27129 1 219 . 1 1 62 62 VAL N N 15 125.793 0.2 . 1 . . . . 58 VAL N . 27129 1 220 . 1 1 63 63 ILE H H 1 8.994 0.02 . 1 . . . . 59 ILE H . 27129 1 221 . 1 1 63 63 ILE CA C 13 60.379 0.3 . 1 . . . . 59 ILE CA . 27129 1 222 . 1 1 63 63 ILE CB C 13 40.572 0.3 . 1 . . . . 59 ILE CB . 27129 1 223 . 1 1 63 63 ILE N N 15 128.24 0.2 . 1 . . . . 59 ILE N . 27129 1 224 . 1 1 64 64 GLN H H 1 8.86 0.02 . 1 . . . . 60 GLN H . 27129 1 225 . 1 1 64 64 GLN CA C 13 54.19 0.3 . 1 . . . . 60 GLN CA . 27129 1 226 . 1 1 64 64 GLN CB C 13 31.365 0.3 . 1 . . . . 60 GLN CB . 27129 1 227 . 1 1 64 64 GLN N N 15 127.333 0.2 . 1 . . . . 60 GLN N . 27129 1 228 . 1 1 65 65 ASN H H 1 8.873 0.02 . 1 . . . . 61 ASN H . 27129 1 229 . 1 1 65 65 ASN CA C 13 52.178 0.3 . 1 . . . . 61 ASN CA . 27129 1 230 . 1 1 65 65 ASN CB C 13 43.744 0.3 . 1 . . . . 61 ASN CB . 27129 1 231 . 1 1 65 65 ASN N N 15 121.977 0.2 . 1 . . . . 61 ASN N . 27129 1 232 . 1 1 66 66 GLU H H 1 8.983 0.02 . 1 . . . . 62 GLU H . 27129 1 233 . 1 1 66 66 GLU CA C 13 54.886 0.3 . 1 . . . . 62 GLU CA . 27129 1 234 . 1 1 66 66 GLU CB C 13 32.99 0.3 . 1 . . . . 62 GLU CB . 27129 1 235 . 1 1 66 66 GLU N N 15 122.607 0.2 . 1 . . . . 62 GLU N . 27129 1 236 . 1 1 67 67 PHE H H 1 8.204 0.02 . 1 . . . . 63 PHE H . 27129 1 237 . 1 1 67 67 PHE CA C 13 56.356 0.3 . 1 . . . . 63 PHE CA . 27129 1 238 . 1 1 67 67 PHE CB C 13 41.037 0.3 . 1 . . . . 63 PHE CB . 27129 1 239 . 1 1 67 67 PHE N N 15 117.364 0.2 . 1 . . . . 63 PHE N . 27129 1 240 . 1 1 68 68 THR H H 1 9.02 0.02 . 1 . . . . 64 THR H . 27129 1 241 . 1 1 68 68 THR CA C 13 61.23 0.3 . 1 . . . . 64 THR CA . 27129 1 242 . 1 1 68 68 THR CB C 13 70.283 0.3 . 1 . . . . 64 THR CB . 27129 1 243 . 1 1 68 68 THR N N 15 118.18 0.2 . 1 . . . . 64 THR N . 27129 1 244 . 1 1 69 69 VAL H H 1 9.155 0.02 . 1 . . . . 65 VAL H . 27129 1 245 . 1 1 69 69 VAL CA C 13 64.48 0.3 . 1 . . . . 65 VAL CA . 27129 1 246 . 1 1 69 69 VAL CB C 13 31.907 0.3 . 1 . . . . 65 VAL CB . 27129 1 247 . 1 1 69 69 VAL N N 15 126.147 0.2 . 1 . . . . 65 VAL N . 27129 1 248 . 1 1 70 70 GLY H H 1 8.779 0.02 . 1 . . . . 66 GLY H . 27129 1 249 . 1 1 70 70 GLY CA C 13 45.372 0.3 . 1 . . . . 66 GLY CA . 27129 1 250 . 1 1 70 70 GLY N N 15 110.045 0.2 . 1 . . . . 66 GLY N . 27129 1 251 . 1 1 71 71 GLU H H 1 7.772 0.02 . 1 . . . . 67 GLU H . 27129 1 252 . 1 1 71 71 GLU CA C 13 54.112 0.3 . 1 . . . . 67 GLU CA . 27129 1 253 . 1 1 71 71 GLU CB C 13 31.752 0.3 . 1 . . . . 67 GLU CB . 27129 1 254 . 1 1 71 71 GLU N N 15 119.209 0.2 . 1 . . . . 67 GLU N . 27129 1 255 . 1 1 72 72 GLU H H 1 8.938 0.02 . 1 . . . . 68 GLU H . 27129 1 256 . 1 1 72 72 GLU CA C 13 57.981 0.3 . 1 . . . . 68 GLU CA . 27129 1 257 . 1 1 72 72 GLU CB C 13 30.05 0.3 . 1 . . . . 68 GLU CB . 27129 1 258 . 1 1 72 72 GLU N N 15 125.499 0.2 . 1 . . . . 68 GLU N . 27129 1 259 . 1 1 73 73 CYS H H 1 9.183 0.02 . 1 . . . . 69 CYS H . 27129 1 260 . 1 1 73 73 CYS CA C 13 55.582 0.3 . 1 . . . . 69 CYS CA . 27129 1 261 . 1 1 73 73 CYS CB C 13 32.062 0.3 . 1 . . . . 69 CYS CB . 27129 1 262 . 1 1 73 73 CYS N N 15 122.014 0.2 . 1 . . . . 69 CYS N . 27129 1 263 . 1 1 74 74 GLU H H 1 8.456 0.02 . 1 . . . . 70 GLU H . 27129 1 264 . 1 1 74 74 GLU CA C 13 54.963 0.3 . 1 . . . . 70 GLU CA . 27129 1 265 . 1 1 74 74 GLU CB C 13 31.675 0.3 . 1 . . . . 70 GLU CB . 27129 1 266 . 1 1 74 74 GLU N N 15 119.802 0.2 . 1 . . . . 70 GLU N . 27129 1 267 . 1 1 75 75 LEU H H 1 8.723 0.02 . 1 . . . . 71 LEU H . 27129 1 268 . 1 1 75 75 LEU CA C 13 53.029 0.3 . 1 . . . . 71 LEU CA . 27129 1 269 . 1 1 75 75 LEU CB C 13 44.518 0.3 . 1 . . . . 71 LEU CB . 27129 1 270 . 1 1 75 75 LEU N N 15 125.682 0.2 . 1 . . . . 71 LEU N . 27129 1 271 . 1 1 76 76 GLU H H 1 8.965 0.02 . 1 . . . . 72 GLU H . 27129 1 272 . 1 1 76 76 GLU CA C 13 55.814 0.3 . 1 . . . . 72 GLU CA . 27129 1 273 . 1 1 76 76 GLU CB C 13 30.669 0.3 . 1 . . . . 72 GLU CB . 27129 1 274 . 1 1 76 76 GLU N N 15 123.496 0.2 . 1 . . . . 72 GLU N . 27129 1 275 . 1 1 77 77 THR H H 1 8.375 0.02 . 1 . . . . 73 THR H . 27129 1 276 . 1 1 77 77 THR CA C 13 60.302 0.3 . 1 . . . . 73 THR CA . 27129 1 277 . 1 1 77 77 THR CB C 13 70.902 0.3 . 1 . . . . 73 THR CB . 27129 1 278 . 1 1 77 77 THR N N 15 116.178 0.2 . 1 . . . . 73 THR N . 27129 1 279 . 1 1 79 79 THR H H 1 7.45 0.02 . 1 . . . . 75 THR H . 27129 1 280 . 1 1 79 79 THR CA C 13 61.481 0.3 . 1 . . . . 75 THR CA . 27129 1 281 . 1 1 79 79 THR CB C 13 68.657 0.3 . 1 . . . . 75 THR CB . 27129 1 282 . 1 1 79 79 THR N N 15 104.541 0.2 . 1 . . . . 75 THR N . 27129 1 283 . 1 1 80 80 GLY H H 1 7.674 0.02 . 1 . . . . 76 GLY H . 27129 1 284 . 1 1 80 80 GLY CA C 13 44.99 0.3 . 1 . . . . 76 GLY CA . 27129 1 285 . 1 1 80 80 GLY N N 15 110.336 0.2 . 1 . . . . 76 GLY N . 27129 1 286 . 1 1 81 81 GLU H H 1 7.318 0.02 . 1 . . . . 77 GLU H . 27129 1 287 . 1 1 81 81 GLU CA C 13 55.969 0.3 . 1 . . . . 77 GLU CA . 27129 1 288 . 1 1 81 81 GLU CB C 13 30.437 0.3 . 1 . . . . 77 GLU CB . 27129 1 289 . 1 1 81 81 GLU N N 15 120.67 0.2 . 1 . . . . 77 GLU N . 27129 1 290 . 1 1 82 82 LYS H H 1 8.58 0.02 . 1 . . . . 78 LYS H . 27129 1 291 . 1 1 82 82 LYS CA C 13 54.963 0.3 . 1 . . . . 78 LYS CA . 27129 1 292 . 1 1 82 82 LYS CB C 13 33.377 0.3 . 1 . . . . 78 LYS CB . 27129 1 293 . 1 1 82 82 LYS N N 15 123.942 0.2 . 1 . . . . 78 LYS N . 27129 1 294 . 1 1 83 83 VAL H H 1 8.77 0.02 . 1 . . . . 79 VAL H . 27129 1 295 . 1 1 83 83 VAL CA C 13 59.373 0.3 . 1 . . . . 79 VAL CA . 27129 1 296 . 1 1 83 83 VAL CB C 13 34.924 0.3 . 1 . . . . 79 VAL CB . 27129 1 297 . 1 1 83 83 VAL N N 15 119.758 0.2 . 1 . . . . 79 VAL N . 27129 1 298 . 1 1 84 84 LYS H H 1 8.401 0.02 . 1 . . . . 80 LYS H . 27129 1 299 . 1 1 84 84 LYS CA C 13 55.35 0.3 . 1 . . . . 80 LYS CA . 27129 1 300 . 1 1 84 84 LYS CB C 13 32.526 0.3 . 1 . . . . 80 LYS CB . 27129 1 301 . 1 1 84 84 LYS N N 15 124.535 0.2 . 1 . . . . 80 LYS N . 27129 1 302 . 1 1 85 85 THR H H 1 8.815 0.02 . 1 . . . . 81 THR H . 27129 1 303 . 1 1 85 85 THR CA C 13 59.296 0.3 . 1 . . . . 81 THR CA . 27129 1 304 . 1 1 85 85 THR CB C 13 69.045 0.3 . 1 . . . . 81 THR CB . 27129 1 305 . 1 1 85 85 THR N N 15 120.296 0.2 . 1 . . . . 81 THR N . 27129 1 306 . 1 1 86 86 VAL H H 1 8.234 0.02 . 1 . . . . 82 VAL H . 27129 1 307 . 1 1 86 86 VAL CA C 13 61.23 0.3 . 1 . . . . 82 VAL CA . 27129 1 308 . 1 1 86 86 VAL CB C 13 35.466 0.3 . 1 . . . . 82 VAL CB . 27129 1 309 . 1 1 86 86 VAL N N 15 119.932 0.2 . 1 . . . . 82 VAL N . 27129 1 310 . 1 1 87 87 VAL H H 1 9.819 0.02 . 1 . . . . 83 VAL H . 27129 1 311 . 1 1 87 87 VAL CA C 13 60.843 0.3 . 1 . . . . 83 VAL CA . 27129 1 312 . 1 1 87 87 VAL CB C 13 31.752 0.3 . 1 . . . . 83 VAL CB . 27129 1 313 . 1 1 87 87 VAL N N 15 133.256 0.2 . 1 . . . . 83 VAL N . 27129 1 314 . 1 1 88 88 GLN H H 1 8.766 0.02 . 1 . . . . 84 GLN H . 27129 1 315 . 1 1 88 88 GLN CA C 13 53.725 0.3 . 1 . . . . 84 GLN CA . 27129 1 316 . 1 1 88 88 GLN CB C 13 31.21 0.3 . 1 . . . . 84 GLN CB . 27129 1 317 . 1 1 88 88 GLN N N 15 124.516 0.2 . 1 . . . . 84 GLN N . 27129 1 318 . 1 1 89 89 LEU H H 1 8.472 0.02 . 1 . . . . 85 LEU H . 27129 1 319 . 1 1 89 89 LEU CA C 13 53.88 0.3 . 1 . . . . 85 LEU CA . 27129 1 320 . 1 1 89 89 LEU CB C 13 44.054 0.3 . 1 . . . . 85 LEU CB . 27129 1 321 . 1 1 89 89 LEU N N 15 123.464 0.2 . 1 . . . . 85 LEU N . 27129 1 322 . 1 1 90 90 GLU H H 1 9.084 0.02 . 1 . . . . 86 GLU H . 27129 1 323 . 1 1 90 90 GLU CA C 13 55.35 0.3 . 1 . . . . 86 GLU CA . 27129 1 324 . 1 1 90 90 GLU CB C 13 31.443 0.3 . 1 . . . . 86 GLU CB . 27129 1 325 . 1 1 90 90 GLU N N 15 128.425 0.2 . 1 . . . . 86 GLU N . 27129 1 326 . 1 1 91 91 GLY H H 1 8.365 0.02 . 1 . . . . 87 GLY H . 27129 1 327 . 1 1 91 91 GLY CA C 13 45.83 0.3 . 1 . . . . 87 GLY CA . 27129 1 328 . 1 1 91 91 GLY N N 15 112.495 0.2 . 1 . . . . 87 GLY N . 27129 1 329 . 1 1 92 92 ASP H H 1 8.433 0.02 . 1 . . . . 88 ASP H . 27129 1 330 . 1 1 92 92 ASP CA C 13 54.731 0.3 . 1 . . . . 88 ASP CA . 27129 1 331 . 1 1 92 92 ASP CB C 13 41.578 0.3 . 1 . . . . 88 ASP CB . 27129 1 332 . 1 1 92 92 ASP N N 15 117.828 0.2 . 1 . . . . 88 ASP N . 27129 1 333 . 1 1 93 93 ASN H H 1 8.125 0.02 . 1 . . . . 89 ASN H . 27129 1 334 . 1 1 93 93 ASN CA C 13 53.416 0.3 . 1 . . . . 89 ASN CA . 27129 1 335 . 1 1 93 93 ASN CB C 13 39.566 0.3 . 1 . . . . 89 ASN CB . 27129 1 336 . 1 1 93 93 ASN N N 15 114.433 0.2 . 1 . . . . 89 ASN N . 27129 1 337 . 1 1 94 94 LYS H H 1 7.427 0.02 . 1 . . . . 90 LYS H . 27129 1 338 . 1 1 94 94 LYS CA C 13 55.427 0.3 . 1 . . . . 90 LYS CA . 27129 1 339 . 1 1 94 94 LYS CB C 13 35.853 0.3 . 1 . . . . 90 LYS CB . 27129 1 340 . 1 1 94 94 LYS N N 15 118.764 0.2 . 1 . . . . 90 LYS N . 27129 1 341 . 1 1 95 95 LEU H H 1 8.963 0.02 . 1 . . . . 91 LEU H . 27129 1 342 . 1 1 95 95 LEU CA C 13 52.719 0.3 . 1 . . . . 91 LEU CA . 27129 1 343 . 1 1 95 95 LEU CB C 13 44.209 0.3 . 1 . . . . 91 LEU CB . 27129 1 344 . 1 1 95 95 LEU N N 15 124.609 0.2 . 1 . . . . 91 LEU N . 27129 1 345 . 1 1 96 96 VAL H H 1 9.284 0.02 . 1 . . . . 92 VAL H . 27129 1 346 . 1 1 96 96 VAL CA C 13 60.998 0.3 . 1 . . . . 92 VAL CA . 27129 1 347 . 1 1 96 96 VAL CB C 13 35.388 0.3 . 1 . . . . 92 VAL CB . 27129 1 348 . 1 1 96 96 VAL N N 15 124.053 0.2 . 1 . . . . 92 VAL N . 27129 1 349 . 1 1 97 97 THR H H 1 8.79 0.02 . 1 . . . . 93 THR H . 27129 1 350 . 1 1 97 97 THR CB C 13 69.431 0.3 . 1 . . . . 93 THR CB . 27129 1 351 . 1 1 97 97 THR N N 15 121.18 0.2 . 1 . . . . 93 THR N . 27129 1 352 . 1 1 98 98 THR H H 1 8.084 0.02 . 1 . . . . 94 THR H . 27129 1 353 . 1 1 98 98 THR CA C 13 59.725 0.3 . 1 . . . . 94 THR CA . 27129 1 354 . 1 1 98 98 THR CB C 13 71.329 0.3 . 1 . . . . 94 THR CB . 27129 1 355 . 1 1 98 98 THR N N 15 117.661 0.2 . 1 . . . . 94 THR N . 27129 1 356 . 1 1 99 99 PHE H H 1 8.295 0.02 . 1 . . . . 95 PHE H . 27129 1 357 . 1 1 99 99 PHE CA C 13 55.427 0.3 . 1 . . . . 95 PHE CA . 27129 1 358 . 1 1 99 99 PHE CB C 13 39.721 0.3 . 1 . . . . 95 PHE CB . 27129 1 359 . 1 1 99 99 PHE N N 15 121.05 0.2 . 1 . . . . 95 PHE N . 27129 1 360 . 1 1 100 100 LYS H H 1 9.272 0.02 . 1 . . . . 96 LYS H . 27129 1 361 . 1 1 100 100 LYS CA C 13 57.749 0.3 . 1 . . . . 96 LYS CA . 27129 1 362 . 1 1 100 100 LYS CB C 13 29.431 0.3 . 1 . . . . 96 LYS CB . 27129 1 363 . 1 1 100 100 LYS N N 15 119.833 0.2 . 1 . . . . 96 LYS N . 27129 1 364 . 1 1 101 101 ASN H H 1 8.432 0.02 . 1 . . . . 97 ASN H . 27129 1 365 . 1 1 101 101 ASN N N 15 113.819 0.2 . 1 . . . . 97 ASN N . 27129 1 366 . 1 1 102 102 ILE H H 1 8.288 0.02 . 1 . . . . 98 ILE H . 27129 1 367 . 1 1 102 102 ILE CA C 13 60.534 0.3 . 1 . . . . 98 ILE CA . 27129 1 368 . 1 1 102 102 ILE CB C 13 39.566 0.3 . 1 . . . . 98 ILE CB . 27129 1 369 . 1 1 102 102 ILE N N 15 121.94 0.2 . 1 . . . . 98 ILE N . 27129 1 370 . 1 1 103 103 LYS H H 1 8.105 0.02 . 1 . . . . 99 LYS H . 27129 1 371 . 1 1 103 103 LYS CA C 13 55.427 0.3 . 1 . . . . 99 LYS CA . 27129 1 372 . 1 1 103 103 LYS CB C 13 33.918 0.3 . 1 . . . . 99 LYS CB . 27129 1 373 . 1 1 103 103 LYS N N 15 127.073 0.2 . 1 . . . . 99 LYS N . 27129 1 374 . 1 1 104 104 SER H H 1 8.891 0.02 . 1 . . . . 100 SER H . 27129 1 375 . 1 1 104 104 SER CA C 13 55.66 0.3 . 1 . . . . 100 SER CA . 27129 1 376 . 1 1 104 104 SER CB C 13 64.325 0.3 . 1 . . . . 100 SER CB . 27129 1 377 . 1 1 104 104 SER N N 15 121.198 0.2 . 1 . . . . 100 SER N . 27129 1 378 . 1 1 105 105 VAL H H 1 8.929 0.02 . 1 . . . . 101 VAL H . 27129 1 379 . 1 1 105 105 VAL CA C 13 61.308 0.3 . 1 . . . . 101 VAL CA . 27129 1 380 . 1 1 105 105 VAL CB C 13 34.924 0.3 . 1 . . . . 101 VAL CB . 27129 1 381 . 1 1 105 105 VAL N N 15 128.407 0.2 . 1 . . . . 101 VAL N . 27129 1 382 . 1 1 106 106 THR H H 1 9.276 0.02 . 1 . . . . 102 THR H . 27129 1 383 . 1 1 106 106 THR CA C 13 62.313 0.3 . 1 . . . . 102 THR CA . 27129 1 384 . 1 1 106 106 THR CB C 13 70.05 0.3 . 1 . . . . 102 THR CB . 27129 1 385 . 1 1 106 106 THR N N 15 127.537 0.2 . 1 . . . . 102 THR N . 27129 1 386 . 1 1 107 107 GLU H H 1 9.075 0.02 . 1 . . . . 103 GLU H . 27129 1 387 . 1 1 107 107 GLU CA C 13 54.112 0.3 . 1 . . . . 103 GLU CA . 27129 1 388 . 1 1 107 107 GLU CB C 13 33.996 0.3 . 1 . . . . 103 GLU CB . 27129 1 389 . 1 1 107 107 GLU N N 15 127.869 0.2 . 1 . . . . 103 GLU N . 27129 1 390 . 1 1 108 108 LEU H H 1 8.436 0.02 . 1 . . . . 104 LEU H . 27129 1 391 . 1 1 108 108 LEU CA C 13 53.725 0.3 . 1 . . . . 104 LEU CA . 27129 1 392 . 1 1 108 108 LEU CB C 13 45.06 0.3 . 1 . . . . 104 LEU CB . 27129 1 393 . 1 1 108 108 LEU N N 15 128.351 0.2 . 1 . . . . 104 LEU N . 27129 1 394 . 1 1 109 109 ASN H H 1 8.869 0.02 . 1 . . . . 105 ASN H . 27129 1 395 . 1 1 109 109 ASN CA C 13 52.487 0.3 . 1 . . . . 105 ASN CA . 27129 1 396 . 1 1 109 109 ASN CB C 13 40.185 0.3 . 1 . . . . 105 ASN CB . 27129 1 397 . 1 1 109 109 ASN N N 15 126.129 0.2 . 1 . . . . 105 ASN N . 27129 1 398 . 1 1 110 110 GLY H H 1 8.892 0.02 . 1 . . . . 106 GLY H . 27129 1 399 . 1 1 110 110 GLY CA C 13 47.891 0.3 . 1 . . . . 106 GLY CA . 27129 1 400 . 1 1 110 110 GLY N N 15 115.565 0.2 . 1 . . . . 106 GLY N . 27129 1 401 . 1 1 111 111 ASP H H 1 8.837 0.02 . 1 . . . . 107 ASP H . 27129 1 402 . 1 1 111 111 ASP CA C 13 53.957 0.3 . 1 . . . . 107 ASP CA . 27129 1 403 . 1 1 111 111 ASP CB C 13 41.733 0.3 . 1 . . . . 107 ASP CB . 27129 1 404 . 1 1 111 111 ASP N N 15 127.13 0.2 . 1 . . . . 107 ASP N . 27129 1 405 . 1 1 112 112 ILE H H 1 7.909 0.02 . 1 . . . . 108 ILE H . 27129 1 406 . 1 1 112 112 ILE CA C 13 58.754 0.3 . 1 . . . . 108 ILE CA . 27129 1 407 . 1 1 112 112 ILE CB C 13 39.102 0.3 . 1 . . . . 108 ILE CB . 27129 1 408 . 1 1 112 112 ILE N N 15 120.136 0.2 . 1 . . . . 108 ILE N . 27129 1 409 . 1 1 113 113 ILE H H 1 8.77 0.02 . 1 . . . . 109 ILE H . 27129 1 410 . 1 1 113 113 ILE CA C 13 58.29 0.3 . 1 . . . . 109 ILE CA . 27129 1 411 . 1 1 113 113 ILE CB C 13 40.804 0.3 . 1 . . . . 109 ILE CB . 27129 1 412 . 1 1 113 113 ILE N N 15 126.442 0.2 . 1 . . . . 109 ILE N . 27129 1 413 . 1 1 114 114 THR H H 1 8.974 0.02 . 1 . . . . 110 THR H . 27129 1 414 . 1 1 114 114 THR CA C 13 61.075 0.3 . 1 . . . . 110 THR CA . 27129 1 415 . 1 1 114 114 THR CB C 13 69.896 0.3 . 1 . . . . 110 THR CB . 27129 1 416 . 1 1 114 114 THR N N 15 123.311 0.2 . 1 . . . . 110 THR N . 27129 1 417 . 1 1 115 115 ASN H H 1 9.232 0.02 . 1 . . . . 111 ASN H . 27129 1 418 . 1 1 115 115 ASN CA C 13 51.559 0.3 . 1 . . . . 111 ASN CA . 27129 1 419 . 1 1 115 115 ASN CB C 13 42.042 0.3 . 1 . . . . 111 ASN CB . 27129 1 420 . 1 1 115 115 ASN N N 15 126.74 0.2 . 1 . . . . 111 ASN N . 27129 1 421 . 1 1 116 116 THR H H 1 9.201 0.02 . 1 . . . . 112 THR H . 27129 1 422 . 1 1 116 116 THR CA C 13 61.462 0.3 . 1 . . . . 112 THR CA . 27129 1 423 . 1 1 116 116 THR CB C 13 69.664 0.3 . 1 . . . . 112 THR CB . 27129 1 424 . 1 1 116 116 THR N N 15 122.811 0.2 . 1 . . . . 112 THR N . 27129 1 425 . 1 1 117 117 MET H H 1 9.196 0.02 . 1 . . . . 113 MET H . 27129 1 426 . 1 1 117 117 MET CA C 13 54.267 0.3 . 1 . . . . 113 MET CA . 27129 1 427 . 1 1 117 117 MET CB C 13 36.549 0.3 . 1 . . . . 113 MET CB . 27129 1 428 . 1 1 117 117 MET N N 15 127.315 0.2 . 1 . . . . 113 MET N . 27129 1 429 . 1 1 118 118 THR H H 1 8.771 0.02 . 1 . . . . 114 THR H . 27129 1 430 . 1 1 118 118 THR CA C 13 61.385 0.3 . 1 . . . . 114 THR CA . 27129 1 431 . 1 1 118 118 THR CB C 13 70.669 0.3 . 1 . . . . 114 THR CB . 27129 1 432 . 1 1 118 118 THR N N 15 118.161 0.2 . 1 . . . . 114 THR N . 27129 1 433 . 1 1 119 119 LEU H H 1 8.795 0.02 . 1 . . . . 115 LEU H . 27129 1 434 . 1 1 119 119 LEU CA C 13 53.88 0.3 . 1 . . . . 115 LEU CA . 27129 1 435 . 1 1 119 119 LEU CB C 13 44.75 0.3 . 1 . . . . 115 LEU CB . 27129 1 436 . 1 1 119 119 LEU N N 15 129.852 0.2 . 1 . . . . 115 LEU N . 27129 1 437 . 1 1 120 120 GLY H H 1 9.159 0.02 . 1 . . . . 116 GLY H . 27129 1 438 . 1 1 120 120 GLY CA C 13 47.304 0.3 . 1 . . . . 116 GLY CA . 27129 1 439 . 1 1 120 120 GLY N N 15 117.846 0.2 . 1 . . . . 116 GLY N . 27129 1 440 . 1 1 121 121 ASP H H 1 8.597 0.02 . 1 . . . . 117 ASP H . 27129 1 441 . 1 1 121 121 ASP CA C 13 53.957 0.3 . 1 . . . . 117 ASP CA . 27129 1 442 . 1 1 121 121 ASP CB C 13 40.804 0.3 . 1 . . . . 117 ASP CB . 27129 1 443 . 1 1 121 121 ASP N N 15 126.201 0.2 . 1 . . . . 117 ASP N . 27129 1 444 . 1 1 122 122 ILE H H 1 8.329 0.02 . 1 . . . . 118 ILE H . 27129 1 445 . 1 1 122 122 ILE CA C 13 61.849 0.3 . 1 . . . . 118 ILE CA . 27129 1 446 . 1 1 122 122 ILE CB C 13 38.793 0.3 . 1 . . . . 118 ILE CB . 27129 1 447 . 1 1 122 122 ILE N N 15 122.514 0.2 . 1 . . . . 118 ILE N . 27129 1 448 . 1 1 123 123 VAL H H 1 8.32 0.02 . 1 . . . . 119 VAL H . 27129 1 449 . 1 1 123 123 VAL CA C 13 61.462 0.3 . 1 . . . . 119 VAL CA . 27129 1 450 . 1 1 123 123 VAL CB C 13 31.984 0.3 . 1 . . . . 119 VAL CB . 27129 1 451 . 1 1 123 123 VAL N N 15 127.315 0.2 . 1 . . . . 119 VAL N . 27129 1 452 . 1 1 124 124 PHE H H 1 9.234 0.02 . 1 . . . . 120 PHE H . 27129 1 453 . 1 1 124 124 PHE CA C 13 53.803 0.3 . 1 . . . . 120 PHE CA . 27129 1 454 . 1 1 124 124 PHE CB C 13 40.418 0.3 . 1 . . . . 120 PHE CB . 27129 1 455 . 1 1 124 124 PHE N N 15 131.224 0.2 . 1 . . . . 120 PHE N . 27129 1 456 . 1 1 125 125 LYS H H 1 8.064 0.02 . 1 . . . . 121 LYS H . 27129 1 457 . 1 1 125 125 LYS CA C 13 54.422 0.3 . 1 . . . . 121 LYS CA . 27129 1 458 . 1 1 125 125 LYS CB C 13 36.859 0.3 . 1 . . . . 121 LYS CB . 27129 1 459 . 1 1 125 125 LYS N N 15 129.333 0.2 . 1 . . . . 121 LYS N . 27129 1 460 . 1 1 126 126 ARG H H 1 8.637 0.02 . 1 . . . . 122 ARG H . 27129 1 461 . 1 1 126 126 ARG CA C 13 55.35 0.3 . 1 . . . . 122 ARG CA . 27129 1 462 . 1 1 126 126 ARG CB C 13 34.537 0.3 . 1 . . . . 122 ARG CB . 27129 1 463 . 1 1 126 126 ARG N N 15 123.297 0.2 . 1 . . . . 122 ARG N . 27129 1 464 . 1 1 127 127 ILE H H 1 8.743 0.02 . 1 . . . . 123 ILE H . 27129 1 465 . 1 1 127 127 ILE CA C 13 61.23 0.3 . 1 . . . . 123 ILE CA . 27129 1 466 . 1 1 127 127 ILE CB C 13 39.489 0.3 . 1 . . . . 123 ILE CB . 27129 1 467 . 1 1 127 127 ILE N N 15 126.071 0.2 . 1 . . . . 123 ILE N . 27129 1 468 . 1 1 128 128 SER H H 1 9.221 0.02 . 1 . . . . 124 SER H . 27129 1 469 . 1 1 128 128 SER CA C 13 57.594 0.3 . 1 . . . . 124 SER CA . 27129 1 470 . 1 1 128 128 SER CB C 13 65.331 0.3 . 1 . . . . 124 SER CB . 27129 1 471 . 1 1 128 128 SER N N 15 122.403 0.2 . 1 . . . . 124 SER N . 27129 1 472 . 1 1 129 129 LYS H H 1 8.625 0.02 . 1 . . . . 125 LYS H . 27129 1 473 . 1 1 129 129 LYS CA C 13 54.499 0.3 . 1 . . . . 125 LYS CA . 27129 1 474 . 1 1 129 129 LYS CB C 13 36.936 0.3 . 1 . . . . 125 LYS CB . 27129 1 475 . 1 1 129 129 LYS N N 15 123.701 0.2 . 1 . . . . 125 LYS N . 27129 1 476 . 1 1 130 130 ARG H H 1 9.297 0.02 . 1 . . . . 126 ARG H . 27129 1 477 . 1 1 130 130 ARG CA C 13 57.439 0.3 . 1 . . . . 126 ARG CA . 27129 1 478 . 1 1 130 130 ARG CB C 13 31.443 0.3 . 1 . . . . 126 ARG CB . 27129 1 479 . 1 1 130 130 ARG N N 15 129.982 0.2 . 1 . . . . 126 ARG N . 27129 1 480 . 1 1 131 131 ILE H H 1 8.633 0.02 . 1 . . . . 127 ILE H . 27129 1 481 . 1 1 131 131 ILE CA C 13 60.998 0.3 . 1 . . . . 127 ILE CA . 27129 1 482 . 1 1 131 131 ILE CB C 13 39.412 0.3 . 1 . . . . 127 ILE CB . 27129 1 483 . 1 1 131 131 ILE N N 15 126.312 0.2 . 1 . . . . 127 ILE N . 27129 1 484 . 1 1 132 132 LEU H H 1 8.298 0.02 . 1 . . . . 128 LEU H . 27129 1 485 . 1 1 132 132 LEU CA C 13 54.654 0.3 . 1 . . . . 128 LEU CA . 27129 1 486 . 1 1 132 132 LEU CB C 13 42.352 0.3 . 1 . . . . 128 LEU CB . 27129 1 487 . 1 1 132 132 LEU N N 15 127.222 0.2 . 1 . . . . 128 LEU N . 27129 1 488 . 1 1 133 133 VAL H H 1 8.028 0.02 . 1 . . . . 129 VAL H . 27129 1 489 . 1 1 133 133 VAL CA C 13 59.528 0.3 . 1 . . . . 129 VAL CA . 27129 1 490 . 1 1 133 133 VAL CB C 13 32.603 0.3 . 1 . . . . 129 VAL CB . 27129 1 491 . 1 1 133 133 VAL N N 15 123 0.2 . 1 . . . . 129 VAL N . 27129 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 27129 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 4 'standard Heteronuclear 15N T1' . . . 27129 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 6 6 SER N N 15 0.695023631 0.031509863 . . 2 SER N 27129 1 2 . 1 1 7 7 PHE N N 15 0.695516699 0.038863951 . . 3 PHE N 27129 1 3 . 1 1 8 8 SER N N 15 0.72021203 0.043955093 . . 4 SER N 27129 1 4 . 1 1 9 9 GLY N N 15 0.721339383 0.029747295 . . 5 GLY N 27129 1 5 . 1 1 10 10 LYS N N 15 0.739070988 0.027906683 . . 6 LYS N 27129 1 6 . 1 1 11 11 TYR N N 15 0.721787145 0.030503185 . . 7 TYR N 27129 1 7 . 1 1 12 12 GLN N N 15 0.732600733 0.035492225 . . 8 GLN N 27129 1 8 . 1 1 13 13 LEU N N 15 0.628010525 0.035720556 . . 9 LEU N 27129 1 9 . 1 1 14 14 GLN N N 15 0.696776711 0.047705012 . . 10 GLN N 27129 1 10 . 1 1 15 15 SER N N 15 0.76516363 0.030345189 . . 11 SER N 27129 1 11 . 1 1 16 16 GLN N N 15 0.695453818 0.038097584 . . 12 GLN N 27129 1 12 . 1 1 17 17 GLU N N 15 0.740894408 0.029559586 . . 13 GLU N 27129 1 13 . 1 1 18 18 ASN N N 15 0.702770321 0.036903171 . . 14 ASN N 27129 1 14 . 1 1 19 19 PHE N N 15 0.709239978 0.033551524 . . 15 PHE N 27129 1 15 . 1 1 20 20 GLU N N 15 0.699300699 0.008342706 . . 16 GLU N 27129 1 16 . 1 1 21 21 ALA N N 15 0.712245639 0.014386854 . . 17 ALA N 27129 1 17 . 1 1 22 22 PHE N N 15 0.694280517 0.011732499 . . 18 PHE N 27129 1 18 . 1 1 23 23 MET N N 15 0.690240687 0.02308314 . . 19 MET N 27129 1 19 . 1 1 24 24 LYS N N 15 0.713190458 0.015472848 . . 20 LYS N 27129 1 20 . 1 1 25 25 ALA N N 15 0.711546261 0.008490619 . . 21 ALA N 27129 1 21 . 1 1 26 26 ILE N N 15 0.73713696 0.011437957 . . 22 ILE N 27129 1 22 . 1 1 27 27 GLY N N 15 0.685011268 0.00698699 . . 23 GLY N 27129 1 23 . 1 1 28 28 LEU N N 15 0.694444444 0.016468943 . . 24 LEU N 27129 1 24 . 1 1 30 30 GLU N N 15 0.738721568 0.034919954 . . 26 GLU N 27129 1 25 . 1 1 31 31 GLU N N 15 0.698880394 0.036837678 . . 27 GLU N 27129 1 26 . 1 1 32 32 LEU N N 15 0.731106383 0.014725931 . . 28 LEU N 27129 1 27 . 1 1 33 33 ILE N N 15 0.730550908 0.015007774 . . 29 ILE N 27129 1 28 . 1 1 35 35 LYS N N 15 0.709239978 0.02072951 . . 31 LYS N 27129 1 29 . 1 1 36 36 GLY N N 15 0.71372493 0.040538313 . . 32 GLY N 27129 1 30 . 1 1 37 37 LYS N N 15 0.685739364 0.034383837 . . 33 LYS N 27129 1 31 . 1 1 38 38 ASP N N 15 0.687455315 0.041224445 . . 34 ASP N 27129 1 32 . 1 1 39 39 ILE N N 15 0.702878992 0.034587662 . . 35 ILE N 27129 1 33 . 1 1 41 41 GLY N N 15 0.72063762 0.063237423 . . 37 GLY N 27129 1 34 . 1 1 42 42 VAL N N 15 0.673192143 0.036309395 . . 38 VAL N 27129 1 35 . 1 1 43 43 SER N N 15 0.715358752 0.029593817 . . 39 SER N 27129 1 36 . 1 1 44 44 GLU N N 15 0.753324042 0.037012162 . . 40 GLU N 27129 1 37 . 1 1 45 45 ILE N N 15 0.719346833 0.030323148 . . 41 ILE N 27129 1 38 . 1 1 46 46 VAL N N 15 0.762811418 0.030729149 . . 42 VAL N 27129 1 39 . 1 1 47 47 GLN N N 15 0.702622186 0.044110124 . . 43 GLN N 27129 1 40 . 1 1 48 48 ASN N N 15 0.761811893 0.047020553 . . 44 ASN N 27129 1 41 . 1 1 50 50 LYS N N 15 0.745778891 0.04266504 . . 46 LYS N 27129 1 42 . 1 1 51 51 HIS N N 15 0.723327306 0.047082983 . . 47 HIS N 27129 1 43 . 1 1 52 52 PHE N N 15 0.792839077 0.058258074 . . 48 PHE N 27129 1 44 . 1 1 53 53 LYS N N 15 0.770190545 0.027239444 . . 49 LYS N 27129 1 45 . 1 1 54 54 PHE N N 15 0.756818939 0.037682861 . . 50 PHE N 27129 1 46 . 1 1 55 55 THR N N 15 0.783103753 0.033581652 . . 51 THR N 27129 1 47 . 1 1 57 57 THR N N 15 0.676983901 0.031297799 . . 53 THR N 27129 1 48 . 1 1 58 58 ALA N N 15 0.661493785 0.030372013 . . 54 ALA N 27129 1 49 . 1 1 61 61 LYS N N 15 0.636379257 0.046779073 . . 57 LYS N 27129 1 50 . 1 1 62 62 VAL N N 15 0.696655358 0.022291147 . . 58 VAL N 27129 1 51 . 1 1 63 63 ILE N N 15 0.71962637 0.017213737 . . 59 ILE N 27129 1 52 . 1 1 64 64 GLN N N 15 0.737158696 0.025469296 . . 60 GLN N 27129 1 53 . 1 1 65 65 ASN N N 15 0.757036656 0.029721199 . . 61 ASN N 27129 1 54 . 1 1 66 66 GLU N N 15 0.744230354 0.0366557 . . 62 GLU N 27129 1 55 . 1 1 67 67 PHE N N 15 0.740674903 0.026645469 . . 63 PHE N 27129 1 56 . 1 1 68 68 THR N N 15 0.74691524 0.04662223 . . 64 THR N 27129 1 57 . 1 1 69 69 VAL N N 15 0.721625678 0.026193404 . . 65 VAL N 27129 1 58 . 1 1 70 70 GLY N N 15 0.720035714 0.025310799 . . 66 GLY N 27129 1 59 . 1 1 71 71 GLU N N 15 0.711004934 0.039476683 . . 67 GLU N 27129 1 60 . 1 1 72 72 GLU N N 15 0.765298313 0.042338916 . . 68 GLU N 27129 1 61 . 1 1 73 73 CYS N N 15 0.688842813 0.030282872 . . 69 CYS N 27129 1 62 . 1 1 74 74 GLU N N 15 0.786534529 0.024838258 . . 70 GLU N 27129 1 63 . 1 1 75 75 LEU N N 15 0.758190351 0.021321283 . . 71 LEU N 27129 1 64 . 1 1 80 80 GLY N N 15 0.692938266 0.042624109 . . 76 GLY N 27129 1 65 . 1 1 81 81 GLU N N 15 0.709149446 0.035287997 . . 77 GLU N 27129 1 66 . 1 1 82 82 LYS N N 15 0.762195122 0.020908081 . . 78 LYS N 27129 1 67 . 1 1 83 83 VAL N N 15 0.74873277 0.026280964 . . 79 VAL N 27129 1 68 . 1 1 84 84 LYS N N 15 0.794419994 0.017538356 . . 80 LYS N 27129 1 69 . 1 1 85 85 THR N N 15 0.707603912 0.018255642 . . 81 THR N 27129 1 70 . 1 1 86 86 VAL N N 15 0.749434177 0.041652082 . . 82 VAL N 27129 1 71 . 1 1 87 87 VAL N N 15 0.727817929 0.039252173 . . 83 VAL N 27129 1 72 . 1 1 88 88 GLN N N 15 0.744723633 0.0223731 . . 84 GLN N 27129 1 73 . 1 1 89 89 LEU N N 15 0.754449365 0.0132736 . . 85 LEU N 27129 1 74 . 1 1 90 90 GLU N N 15 0.749299405 0.020273945 . . 86 GLU N 27129 1 75 . 1 1 91 91 GLY N N 15 0.769692585 0.047927318 . . 87 GLY N 27129 1 76 . 1 1 92 92 ASP N N 15 0.710919005 0.047503094 . . 88 ASP N 27129 1 77 . 1 1 94 94 LYS N N 15 0.720378054 0.022096659 . . 90 LYS N 27129 1 78 . 1 1 95 95 LEU N N 15 0.744235893 0.022221949 . . 91 LEU N 27129 1 79 . 1 1 97 97 THR N N 15 0.702123925 0.023234053 . . 93 THR N 27129 1 80 . 1 1 98 98 THR N N 15 0.72804578 0.032555711 . . 94 THR N 27129 1 81 . 1 1 99 99 PHE N N 15 0.704225352 0.021369768 . . 95 PHE N 27129 1 82 . 1 1 100 100 LYS N N 15 0.683858879 0.038816026 . . 96 LYS N 27129 1 83 . 1 1 102 102 ILE N N 15 0.705432536 0.02151774 . . 98 ILE N 27129 1 84 . 1 1 103 103 LYS N N 15 0.732686615 0.026481808 . . 99 LYS N 27129 1 85 . 1 1 104 104 SER N N 15 0.750795844 0.035896059 . . 100 SER N 27129 1 86 . 1 1 105 105 VAL N N 15 0.765146066 0.034822477 . . 101 VAL N 27129 1 87 . 1 1 106 106 THR N N 15 0.742362941 0.065454472 . . 102 THR N 27129 1 88 . 1 1 107 107 GLU N N 15 0.737147828 0.029516777 . . 103 GLU N 27129 1 89 . 1 1 108 108 LEU N N 15 0.710782572 0.024305743 . . 104 LEU N 27129 1 90 . 1 1 109 109 ASN N N 15 0.73462971 0.028387211 . . 105 ASN N 27129 1 91 . 1 1 111 111 ASP N N 15 0.703586179 0.047488565 . . 107 ASP N 27129 1 92 . 1 1 112 112 ILE N N 15 0.714689003 0.032623542 . . 108 ILE N 27129 1 93 . 1 1 114 114 THR N N 15 0.721443464 0.03648049 . . 110 THR N 27129 1 94 . 1 1 115 115 ASN N N 15 0.717854477 0.043595653 . . 111 ASN N 27129 1 95 . 1 1 116 116 THR N N 15 0.718540501 0.035139409 . . 112 THR N 27129 1 96 . 1 1 117 117 MET N N 15 0.715512307 0.035299495 . . 113 MET N 27129 1 97 . 1 1 118 118 THR N N 15 0.742451128 0.033068508 . . 114 THR N 27129 1 98 . 1 1 119 119 LEU N N 15 0.714326533 0.019221584 . . 115 LEU N 27129 1 99 . 1 1 120 120 GLY N N 15 0.724590425 0.051038291 . . 116 GLY N 27129 1 100 . 1 1 121 121 ASP N N 15 0.7593764 0.050595492 . . 117 ASP N 27129 1 101 . 1 1 122 122 ILE N N 15 0.719264049 0.02617227 . . 118 ILE N 27129 1 102 . 1 1 123 123 VAL N N 15 0.745100961 0.016022363 . . 119 VAL N 27129 1 103 . 1 1 124 124 PHE N N 15 0.702898754 0.012682691 . . 120 PHE N 27129 1 104 . 1 1 125 125 LYS N N 15 0.72125614 0.025927287 . . 121 LYS N 27129 1 105 . 1 1 126 126 ARG N N 15 0.740592622 0.037197739 . . 122 ARG N 27129 1 106 . 1 1 127 127 ILE N N 15 0.772988683 0.038903974 . . 123 ILE N 27129 1 107 . 1 1 128 128 SER N N 15 0.697267409 0.033488205 . . 124 SER N 27129 1 108 . 1 1 129 129 LYS N N 15 0.72315992 0.016708581 . . 125 LYS N 27129 1 109 . 1 1 130 130 ARG N N 15 0.668623505 0.02617074 . . 126 ARG N 27129 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 27129 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 5 'standard Heteronuclear 15N T2' . . . 27129 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 7 7 PHE N N 15 0.097232472 0.006647215 . . . . 3 PHE N 27129 1 2 . 1 1 8 8 SER N N 15 0.092261562 0.008152555 . . . . 4 SER N 27129 1 3 . 1 1 9 9 GLY N N 15 0.094690424 0.00693936 . . . . 5 GLY N 27129 1 4 . 1 1 10 10 LYS N N 15 0.091640969 0.005214444 . . . . 6 LYS N 27129 1 5 . 1 1 11 11 TYR N N 15 0.092875605 0.005375302 . . . . 7 TYR N 27129 1 6 . 1 1 12 12 GLN N N 15 0.085806712 0.005630474 . . . . 8 GLN N 27129 1 7 . 1 1 13 13 LEU N N 15 0.079352673 0.004389973 . . . . 9 LEU N 27129 1 8 . 1 1 14 14 GLN N N 15 0.095199925 0.007658891 . . . . 10 GLN N 27129 1 9 . 1 1 15 15 SER N N 15 0.089941484 0.004666654 . . . . 11 SER N 27129 1 10 . 1 1 16 16 GLN N N 15 0.096238332 0.009184851 . . . . 12 GLN N 27129 1 11 . 1 1 17 17 GLU N N 15 0.091443871 0.002999777 . . . . 13 GLU N 27129 1 12 . 1 1 18 18 ASN N N 15 0.102750423 0.010376375 . . . . 14 ASN N 27129 1 13 . 1 1 19 19 PHE N N 15 0.105068284 0.007737587 . . . . 15 PHE N 27129 1 14 . 1 1 20 20 GLU N N 15 0.092025104 0.003405063 . . . . 16 GLU N 27129 1 15 . 1 1 21 21 ALA N N 15 0.090248798 0.00234596 . . . . 17 ALA N 27129 1 16 . 1 1 22 22 PHE N N 15 0.084870407 0.002858649 . . . . 18 PHE N 27129 1 17 . 1 1 23 23 MET N N 15 0.104016817 0.00547326 . . . . 19 MET N 27129 1 18 . 1 1 25 25 ALA N N 15 0.087395322 0.002278475 . . . . 21 ALA N 27129 1 19 . 1 1 26 26 ILE N N 15 0.079013469 0.001998862 . . . . 22 ILE N 27129 1 20 . 1 1 27 27 GLY N N 15 0.078978211 0.001342447 . . . . 23 GLY N 27129 1 21 . 1 1 28 28 LEU N N 15 0.091961887 0.002208627 . . . . 24 LEU N 27129 1 22 . 1 1 30 30 GLU N N 15 0.094078333 0.004492101 . . . . 26 GLU N 27129 1 23 . 1 1 31 31 GLU N N 15 0.099947328 0.008455486 . . . . 27 GLU N 27129 1 24 . 1 1 32 32 LEU N N 15 0.092834995 0.00254577 . . . . 28 LEU N 27129 1 25 . 1 1 33 33 ILE N N 15 0.084272054 0.002378954 . . . . 29 ILE N 27129 1 26 . 1 1 34 34 GLN N N 15 0.11229621 0.007270422 . . . . 30 GLN N 27129 1 27 . 1 1 35 35 LYS N N 15 0.093397628 0.004044211 . . . . 31 LYS N 27129 1 28 . 1 1 36 36 GLY N N 15 0.091039277 0.007722152 . . . . 32 GLY N 27129 1 29 . 1 1 37 37 LYS N N 15 0.092994622 0.007569854 . . . . 33 LYS N 27129 1 30 . 1 1 38 38 ASP N N 15 0.106293873 0.011988041 . . . . 34 ASP N 27129 1 31 . 1 1 39 39 ILE N N 15 0.107654215 0.009509939 . . . . 35 ILE N 27129 1 32 . 1 1 41 41 GLY N N 15 0.11128905 0.011590863 . . . . 37 GLY N 27129 1 33 . 1 1 42 42 VAL N N 15 0.092056957 0.006473319 . . . . 38 VAL N 27129 1 34 . 1 1 43 43 SER N N 15 0.091261859 0.004980995 . . . . 39 SER N 27129 1 35 . 1 1 44 44 GLU N N 15 0.086280458 0.003317039 . . . . 40 GLU N 27129 1 36 . 1 1 45 45 ILE N N 15 0.088299675 0.005524056 . . . . 41 ILE N 27129 1 37 . 1 1 46 46 VAL N N 15 0.088491112 0.008753287 . . . . 42 VAL N 27129 1 38 . 1 1 47 47 GLN N N 15 0.085100879 0.006027722 . . . . 43 GLN N 27129 1 39 . 1 1 50 50 LYS N N 15 0.099241793 0.009735277 . . . . 46 LYS N 27129 1 40 . 1 1 51 51 HIS N N 15 0.0872742 0.008381283 . . . . 47 HIS N 27129 1 41 . 1 1 52 52 PHE N N 15 0.09332415 0.004368634 . . . . 48 PHE N 27129 1 42 . 1 1 53 53 LYS N N 15 0.095366067 0.005556854 . . . . 49 LYS N 27129 1 43 . 1 1 54 54 PHE N N 15 0.067362658 0.003735049 . . . . 50 PHE N 27129 1 44 . 1 1 55 55 THR N N 15 0.072821172 0.012170474 . . . . 51 THR N 27129 1 45 . 1 1 57 57 THR N N 15 0.084983428 0.005935551 . . . . 53 THR N 27129 1 46 . 1 1 58 58 ALA N N 15 0.092049839 0.006168724 . . . . 54 ALA N 27129 1 47 . 1 1 61 61 LYS N N 15 0.116873084 0.012790449 . . . . 57 LYS N 27129 1 48 . 1 1 62 62 VAL N N 15 0.101719673 0.003926542 . . . . 58 VAL N 27129 1 49 . 1 1 63 63 ILE N N 15 0.100956869 0.004899434 . . . . 59 ILE N 27129 1 50 . 1 1 64 64 GLN N N 15 0.096949109 0.008090865 . . . . 60 GLN N 27129 1 51 . 1 1 65 65 ASN N N 15 0.093698758 0.005544403 . . . . 61 ASN N 27129 1 52 . 1 1 67 67 PHE N N 15 0.080725627 0.00479148 . . . . 63 PHE N 27129 1 53 . 1 1 68 68 THR N N 15 0.079928576 0.012329187 . . . . 64 THR N 27129 1 54 . 1 1 69 69 VAL N N 15 0.088490642 0.004945411 . . . . 65 VAL N 27129 1 55 . 1 1 70 70 GLY N N 15 0.082888842 0.010173857 . . . . 66 GLY N 27129 1 56 . 1 1 71 71 GLU N N 15 0.095422852 0.008283019 . . . . 67 GLU N 27129 1 57 . 1 1 72 72 GLU N N 15 0.110725785 0.013008072 . . . . 68 GLU N 27129 1 58 . 1 1 73 73 CYS N N 15 0.093354992 0.00422807 . . . . 69 CYS N 27129 1 59 . 1 1 74 74 GLU N N 15 0.098962086 0.004493843 . . . . 70 GLU N 27129 1 60 . 1 1 75 75 LEU N N 15 0.097300684 0.002816369 . . . . 71 LEU N 27129 1 61 . 1 1 76 76 GLU N N 15 0.092405898 0.010851085 . . . . 72 GLU N 27129 1 62 . 1 1 80 80 GLY N N 15 0.090978814 0.009903438 . . . . 76 GLY N 27129 1 63 . 1 1 81 81 GLU N N 15 0.116198947 0.010043338 . . . . 77 GLU N 27129 1 64 . 1 1 82 82 LYS N N 15 0.094969828 0.003013969 . . . . 78 LYS N 27129 1 65 . 1 1 83 83 VAL N N 15 0.083588347 0.004127228 . . . . 79 VAL N 27129 1 66 . 1 1 84 84 LYS N N 15 0.093807134 0.002128314 . . . . 80 LYS N 27129 1 67 . 1 1 85 85 THR N N 15 0.091940327 0.004549671 . . . . 81 THR N 27129 1 68 . 1 1 86 86 VAL N N 15 0.098349402 0.004526973 . . . . 82 VAL N 27129 1 69 . 1 1 87 87 VAL N N 15 0.091008456 0.005364435 . . . . 83 VAL N 27129 1 70 . 1 1 88 88 GLN N N 15 0.094562111 0.015786641 . . . . 84 GLN N 27129 1 71 . 1 1 89 89 LEU N N 15 0.095234649 0.001348383 . . . . 85 LEU N 27129 1 72 . 1 1 90 90 GLU N N 15 0.109435292 0.002204318 . . . . 86 GLU N 27129 1 73 . 1 1 91 91 GLY N N 15 0.124564491 0.012515458 . . . . 87 GLY N 27129 1 74 . 1 1 92 92 ASP N N 15 0.112228407 0.009612291 . . . . 88 ASP N 27129 1 75 . 1 1 94 94 LYS N N 15 0.087364781 0.002791931 . . . . 90 LYS N 27129 1 76 . 1 1 95 95 LEU N N 15 0.096243241 0.004037823 . . . . 91 LEU N 27129 1 77 . 1 1 96 96 VAL N N 15 0.068983596 0.006191116 . . . . 92 VAL N 27129 1 78 . 1 1 97 97 THR N N 15 0.086925078 0.006362126 . . . . 93 THR N 27129 1 79 . 1 1 98 98 THR N N 15 0.088043127 0.005598355 . . . . 94 THR N 27129 1 80 . 1 1 99 99 PHE N N 15 0.093769223 0.003375505 . . . . 95 PHE N 27129 1 81 . 1 1 100 100 LYS N N 15 0.094616689 0.008668977 . . . . 96 LYS N 27129 1 82 . 1 1 102 102 ILE N N 15 0.086660595 0.007813615 . . . . 98 ILE N 27129 1 83 . 1 1 103 103 LYS N N 15 0.096141089 0.007620389 . . . . 99 LYS N 27129 1 84 . 1 1 104 104 SER N N 15 0.079282776 0.003961474 . . . . 100 SER N 27129 1 85 . 1 1 105 105 VAL N N 15 0.091986842 0.004022212 . . . . 101 VAL N 27129 1 86 . 1 1 106 106 THR N N 15 0.09416586 0.007189711 . . . . 102 THR N 27129 1 87 . 1 1 107 107 GLU N N 15 0.095888217 0.012505784 . . . . 103 GLU N 27129 1 88 . 1 1 109 109 ASN N N 15 0.099237459 0.008778277 . . . . 105 ASN N 27129 1 89 . 1 1 112 112 ILE N N 15 0.090527067 0.006679621 . . . . 108 ILE N 27129 1 90 . 1 1 113 113 ILE N N 15 0.09434078 0.013689816 . . . . 109 ILE N 27129 1 91 . 1 1 114 114 THR N N 15 0.085937896 0.005426291 . . . . 110 THR N 27129 1 92 . 1 1 115 115 ASN N N 15 0.087869679 0.007356259 . . . . 111 ASN N 27129 1 93 . 1 1 116 116 THR N N 15 0.086524052 0.006269121 . . . . 112 THR N 27129 1 94 . 1 1 117 117 MET N N 15 0.096237777 0.00748022 . . . . 113 MET N 27129 1 95 . 1 1 118 118 THR N N 15 0.091345974 0.006635134 . . . . 114 THR N 27129 1 96 . 1 1 119 119 LEU N N 15 0.087043262 0.005427826 . . . . 115 LEU N 27129 1 97 . 1 1 120 120 GLY N N 15 0.099908983 0.011089086 . . . . 116 GLY N 27129 1 98 . 1 1 122 122 ILE N N 15 0.093824385 0.004646231 . . . . 118 ILE N 27129 1 99 . 1 1 124 124 PHE N N 15 0.082096414 0.002735761 . . . . 120 PHE N 27129 1 100 . 1 1 125 125 LYS N N 15 0.083248766 0.00442933 . . . . 121 LYS N 27129 1 101 . 1 1 126 126 ARG N N 15 0.0865615 0.004789382 . . . . 122 ARG N 27129 1 102 . 1 1 128 128 SER N N 15 0.091456667 0.004943649 . . . . 124 SER N 27129 1 103 . 1 1 129 129 LYS N N 15 0.090373995 0.003929691 . . . . 125 LYS N 27129 1 104 . 1 1 130 130 ARG N N 15 0.082603941 0.004447772 . . . . 126 ARG N 27129 1 stop_ save_