data_51087 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51087 _Entry.Title ; Backbone chemical shift assignment and dynamics of N-terminal domain of ClpB from Francisella tularensis type VI secretion system ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-09-17 _Entry.Accession_date 2021-09-17 _Entry.Last_release_date 2021-09-17 _Entry.Original_release_date 2021-09-17 _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 'Backbone chemical shift assignment, 15N T1, T2 and heteronuclear NOE values of N-terminal domain of ClpB(1-156) at 310K' _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 Ameeq Mushtaq . Ul. . . 51087 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51087 heteronucl_NOEs 1 51087 heteronucl_T1_relaxation 1 51087 heteronucl_T2_relaxation 1 51087 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 406 51087 '15N chemical shifts' 135 51087 '1H chemical shifts' 135 51087 'T1 relaxation values' 131 51087 'T2 relaxation values' 131 51087 'heteronuclear NOE values' 132 51087 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-05-27 2021-09-17 update BMRB 'update entry citation' 51087 1 . . 2021-09-23 2021-09-17 original author 'original release' 51087 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51087 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34985724 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone chemical shift assignment and dynamics of the N-terminal domain of ClpB from Francisella tularensis type VI secretion system ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 16 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 75 _Citation.Page_last 79 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Ameeq Ul' Mushtaq A. U. . . 51087 1 2 Jorgen Aden J. . . . 51087 1 3 Athar Alam A. . . . 51087 1 4 Anders Sjostedt A. . . . 51087 1 5 Gerhard Grobner G. . . . 51087 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51087 _Assembly.ID 1 _Assembly.Name 'ClpB chaperone system' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'NTD ClpB' 1 $entity_1 . . yes native yes no . . . 51087 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Binding to IglA-IglB of type VI secretion system' 51087 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51087 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNINKFTIKLQEALAEAQSY AFQQKATEFTSAHILKALLE QNDSVAISILSVCGVNIQNF IKAVNDMVDSVAVLSGEGNP QVTPSRDLIATLHKMQELAN KNGDEFISSEVFLLASLEDK SLTGLYNKFGITKEKLTKAV NDYRGGEKVSSQNQED ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1-156 _Entity.Polymer_author_seq_details 'NTD ClpB (1-156)' _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 156 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17114.35 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Substrate binding and recognition' 51087 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 51087 1 2 . ASN . 51087 1 3 . ILE . 51087 1 4 . ASN . 51087 1 5 . LYS . 51087 1 6 . PHE . 51087 1 7 . THR . 51087 1 8 . ILE . 51087 1 9 . LYS . 51087 1 10 . LEU . 51087 1 11 . GLN . 51087 1 12 . GLU . 51087 1 13 . ALA . 51087 1 14 . LEU . 51087 1 15 . ALA . 51087 1 16 . GLU . 51087 1 17 . ALA . 51087 1 18 . GLN . 51087 1 19 . SER . 51087 1 20 . TYR . 51087 1 21 . ALA . 51087 1 22 . PHE . 51087 1 23 . GLN . 51087 1 24 . GLN . 51087 1 25 . LYS . 51087 1 26 . ALA . 51087 1 27 . THR . 51087 1 28 . GLU . 51087 1 29 . PHE . 51087 1 30 . THR . 51087 1 31 . SER . 51087 1 32 . ALA . 51087 1 33 . HIS . 51087 1 34 . ILE . 51087 1 35 . LEU . 51087 1 36 . LYS . 51087 1 37 . ALA . 51087 1 38 . LEU . 51087 1 39 . LEU . 51087 1 40 . GLU . 51087 1 41 . GLN . 51087 1 42 . ASN . 51087 1 43 . ASP . 51087 1 44 . SER . 51087 1 45 . VAL . 51087 1 46 . ALA . 51087 1 47 . ILE . 51087 1 48 . SER . 51087 1 49 . ILE . 51087 1 50 . LEU . 51087 1 51 . SER . 51087 1 52 . VAL . 51087 1 53 . CYS . 51087 1 54 . GLY . 51087 1 55 . VAL . 51087 1 56 . ASN . 51087 1 57 . ILE . 51087 1 58 . GLN . 51087 1 59 . ASN . 51087 1 60 . PHE . 51087 1 61 . ILE . 51087 1 62 . LYS . 51087 1 63 . ALA . 51087 1 64 . VAL . 51087 1 65 . ASN . 51087 1 66 . ASP . 51087 1 67 . MET . 51087 1 68 . VAL . 51087 1 69 . ASP . 51087 1 70 . SER . 51087 1 71 . VAL . 51087 1 72 . ALA . 51087 1 73 . VAL . 51087 1 74 . LEU . 51087 1 75 . SER . 51087 1 76 . GLY . 51087 1 77 . GLU . 51087 1 78 . GLY . 51087 1 79 . ASN . 51087 1 80 . PRO . 51087 1 81 . GLN . 51087 1 82 . VAL . 51087 1 83 . THR . 51087 1 84 . PRO . 51087 1 85 . SER . 51087 1 86 . ARG . 51087 1 87 . ASP . 51087 1 88 . LEU . 51087 1 89 . ILE . 51087 1 90 . ALA . 51087 1 91 . THR . 51087 1 92 . LEU . 51087 1 93 . HIS . 51087 1 94 . LYS . 51087 1 95 . MET . 51087 1 96 . GLN . 51087 1 97 . GLU . 51087 1 98 . LEU . 51087 1 99 . ALA . 51087 1 100 . ASN . 51087 1 101 . LYS . 51087 1 102 . ASN . 51087 1 103 . GLY . 51087 1 104 . ASP . 51087 1 105 . GLU . 51087 1 106 . PHE . 51087 1 107 . ILE . 51087 1 108 . SER . 51087 1 109 . SER . 51087 1 110 . GLU . 51087 1 111 . VAL . 51087 1 112 . PHE . 51087 1 113 . LEU . 51087 1 114 . LEU . 51087 1 115 . ALA . 51087 1 116 . SER . 51087 1 117 . LEU . 51087 1 118 . GLU . 51087 1 119 . ASP . 51087 1 120 . LYS . 51087 1 121 . SER . 51087 1 122 . LEU . 51087 1 123 . THR . 51087 1 124 . GLY . 51087 1 125 . LEU . 51087 1 126 . TYR . 51087 1 127 . ASN . 51087 1 128 . LYS . 51087 1 129 . PHE . 51087 1 130 . GLY . 51087 1 131 . ILE . 51087 1 132 . THR . 51087 1 133 . LYS . 51087 1 134 . GLU . 51087 1 135 . LYS . 51087 1 136 . LEU . 51087 1 137 . THR . 51087 1 138 . LYS . 51087 1 139 . ALA . 51087 1 140 . VAL . 51087 1 141 . ASN . 51087 1 142 . ASP . 51087 1 143 . TYR . 51087 1 144 . ARG . 51087 1 145 . GLY . 51087 1 146 . GLY . 51087 1 147 . GLU . 51087 1 148 . LYS . 51087 1 149 . VAL . 51087 1 150 . SER . 51087 1 151 . SER . 51087 1 152 . GLN . 51087 1 153 . ASN . 51087 1 154 . GLN . 51087 1 155 . GLU . 51087 1 156 . ASP . 51087 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 51087 1 . ASN 2 2 51087 1 . ILE 3 3 51087 1 . ASN 4 4 51087 1 . LYS 5 5 51087 1 . PHE 6 6 51087 1 . THR 7 7 51087 1 . ILE 8 8 51087 1 . LYS 9 9 51087 1 . LEU 10 10 51087 1 . GLN 11 11 51087 1 . GLU 12 12 51087 1 . ALA 13 13 51087 1 . LEU 14 14 51087 1 . ALA 15 15 51087 1 . GLU 16 16 51087 1 . ALA 17 17 51087 1 . GLN 18 18 51087 1 . SER 19 19 51087 1 . TYR 20 20 51087 1 . ALA 21 21 51087 1 . PHE 22 22 51087 1 . GLN 23 23 51087 1 . GLN 24 24 51087 1 . LYS 25 25 51087 1 . ALA 26 26 51087 1 . THR 27 27 51087 1 . GLU 28 28 51087 1 . PHE 29 29 51087 1 . THR 30 30 51087 1 . SER 31 31 51087 1 . ALA 32 32 51087 1 . HIS 33 33 51087 1 . ILE 34 34 51087 1 . LEU 35 35 51087 1 . LYS 36 36 51087 1 . ALA 37 37 51087 1 . LEU 38 38 51087 1 . LEU 39 39 51087 1 . GLU 40 40 51087 1 . GLN 41 41 51087 1 . ASN 42 42 51087 1 . ASP 43 43 51087 1 . SER 44 44 51087 1 . VAL 45 45 51087 1 . ALA 46 46 51087 1 . ILE 47 47 51087 1 . SER 48 48 51087 1 . ILE 49 49 51087 1 . LEU 50 50 51087 1 . SER 51 51 51087 1 . VAL 52 52 51087 1 . CYS 53 53 51087 1 . GLY 54 54 51087 1 . VAL 55 55 51087 1 . ASN 56 56 51087 1 . ILE 57 57 51087 1 . GLN 58 58 51087 1 . ASN 59 59 51087 1 . PHE 60 60 51087 1 . ILE 61 61 51087 1 . LYS 62 62 51087 1 . ALA 63 63 51087 1 . VAL 64 64 51087 1 . ASN 65 65 51087 1 . ASP 66 66 51087 1 . MET 67 67 51087 1 . VAL 68 68 51087 1 . ASP 69 69 51087 1 . SER 70 70 51087 1 . VAL 71 71 51087 1 . ALA 72 72 51087 1 . VAL 73 73 51087 1 . LEU 74 74 51087 1 . SER 75 75 51087 1 . GLY 76 76 51087 1 . GLU 77 77 51087 1 . GLY 78 78 51087 1 . ASN 79 79 51087 1 . PRO 80 80 51087 1 . GLN 81 81 51087 1 . VAL 82 82 51087 1 . THR 83 83 51087 1 . PRO 84 84 51087 1 . SER 85 85 51087 1 . ARG 86 86 51087 1 . ASP 87 87 51087 1 . LEU 88 88 51087 1 . ILE 89 89 51087 1 . ALA 90 90 51087 1 . THR 91 91 51087 1 . LEU 92 92 51087 1 . HIS 93 93 51087 1 . LYS 94 94 51087 1 . MET 95 95 51087 1 . GLN 96 96 51087 1 . GLU 97 97 51087 1 . LEU 98 98 51087 1 . ALA 99 99 51087 1 . ASN 100 100 51087 1 . LYS 101 101 51087 1 . ASN 102 102 51087 1 . GLY 103 103 51087 1 . ASP 104 104 51087 1 . GLU 105 105 51087 1 . PHE 106 106 51087 1 . ILE 107 107 51087 1 . SER 108 108 51087 1 . SER 109 109 51087 1 . GLU 110 110 51087 1 . VAL 111 111 51087 1 . PHE 112 112 51087 1 . LEU 113 113 51087 1 . LEU 114 114 51087 1 . ALA 115 115 51087 1 . SER 116 116 51087 1 . LEU 117 117 51087 1 . GLU 118 118 51087 1 . ASP 119 119 51087 1 . LYS 120 120 51087 1 . SER 121 121 51087 1 . LEU 122 122 51087 1 . THR 123 123 51087 1 . GLY 124 124 51087 1 . LEU 125 125 51087 1 . TYR 126 126 51087 1 . ASN 127 127 51087 1 . LYS 128 128 51087 1 . PHE 129 129 51087 1 . GLY 130 130 51087 1 . ILE 131 131 51087 1 . THR 132 132 51087 1 . LYS 133 133 51087 1 . GLU 134 134 51087 1 . LYS 135 135 51087 1 . LEU 136 136 51087 1 . THR 137 137 51087 1 . LYS 138 138 51087 1 . ALA 139 139 51087 1 . VAL 140 140 51087 1 . ASN 141 141 51087 1 . ASP 142 142 51087 1 . TYR 143 143 51087 1 . ARG 144 144 51087 1 . GLY 145 145 51087 1 . GLY 146 146 51087 1 . GLU 147 147 51087 1 . LYS 148 148 51087 1 . VAL 149 149 51087 1 . SER 150 150 51087 1 . SER 151 151 51087 1 . GLN 152 152 51087 1 . ASN 153 153 51087 1 . GLN 154 154 51087 1 . GLU 155 155 51087 1 . ASP 156 156 51087 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51087 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 263 organism . 'Francisella tularensis' 'Francisella tularensis' . . Bacteria . Francisella tularensis . . . . . . . . . . . . . 51087 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51087 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . plasmid . . pET-His1a . . 'Kanamycin resistant' 51087 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51087 _Sample.ID 1 _Sample.Name '13C15N labeled NTD ClpB(1-156)' _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.7mM protein in NMR buffer(20mM NaPi, 20mM NaCl, pH 6.5)' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'NTD ClpB (1-156)' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1.7 . . mM . . . . 51087 1 2 NaPi 'natural abundance' . . . . . . 20 . . mM . . . . 51087 1 3 NaCl 'natural abundance' . . . . . . 20 . . mM . . . . 51087 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51087 _Sample.ID 2 _Sample.Name '15N labeled NTD ClpB(1-156)' _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.7mM protein in NMR buffer(20mM NaPi, 20mM NaCl, pH 6.5)' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'NTD ClpB (1-156)' '[U-99% 15N]' . . 1 $entity_1 . . 1.7 . . mM . . . . 51087 2 2 NaPi 'natural abundance' . . . . . . 20 . . mM . . . . 51087 2 3 NaCl 'natural abundance' . . . . . . 20 . . mM . . . . 51087 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 51087 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR buffer pH 6.5' _Sample_condition_list.Details '1.7mM protein in NMR buffer( 20mM NaPi, 20mM NaCl, pH 6.5)' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 51087 1 temperature 310 . K 51087 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51087 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6 _Software.DOI . _Software.Details 'Data acquisition' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51087 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51087 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 10.6 _Software.DOI . _Software.Details 'Data processing with NMRPipe package' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51087 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51087 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4.2 _Software.DOI . _Software.Details 'Peak picking, Chemical Shift assignment' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51087 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51087 _Software.ID 4 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.470 _Software.DOI . _Software.Details 'Relaxation data analysis' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51087 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51087 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 850' _NMR_spectrometer.Details 'Bruker 850 MHz Avance III at Umea University' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51087 _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' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51087 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51087 1 3 '3D CBCANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51087 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51087 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51087 1 6 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51087 1 7 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51087 1 8 'T1/R1 relaxation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51087 1 9 'T2/R2 relaxation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51087 1 10 '1H-15N heteronoe' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51087 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 51087 _Computing_platform.ID 1 _Computing_platform.Name . _Computing_platform.Reference_ID . _Computing_platform.Site . _Computing_platform.Site_reference_ID . _Computing_platform.Details 'Linux computer system' save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51087 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details 'Chemical shift calibration from water signal and temperature with NMRPipe Conversion Utility' 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 water protons . . . . ppm 4.7 internal indirect 0.25144 . . . . . 51087 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 51087 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.1013 . . . . . 51087 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51087 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'NTD ClpB(1-156) CS data' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51087 1 2 '3D CBCA(CO)NH' . . . 51087 1 3 '3D CBCANH' . . . 51087 1 4 '3D HNCA' . . . 51087 1 5 '3D HN(CO)CA' . . . 51087 1 6 '3D HNCO' . . . 51087 1 7 '3D HN(CA)CO' . . . 51087 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51087 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET C C 13 175.150 0.003 . 1 . . . . . 1 MET C . 51087 1 2 . 1 . 1 1 1 MET CA C 13 55.082 0.000 . 1 . . . . . 1 MET CA . 51087 1 3 . 1 . 1 1 1 MET CB C 13 33.281 0.003 . 1 . . . . . 1 MET CB . 51087 1 4 . 1 . 1 2 2 ASN H H 1 8.173 0.002 . 1 . . . . . 2 ASN H . 51087 1 5 . 1 . 1 2 2 ASN C C 13 176.517 0.006 . 1 . . . . . 2 ASN C . 51087 1 6 . 1 . 1 2 2 ASN CA C 13 53.854 0.000 . 1 . . . . . 2 ASN CA . 51087 1 7 . 1 . 1 2 2 ASN CB C 13 40.634 0.012 . 1 . . . . . 2 ASN CB . 51087 1 8 . 1 . 1 2 2 ASN N N 15 122.991 0.142 . 1 . . . . . 2 ASN N . 51087 1 9 . 1 . 1 3 3 ILE H H 1 7.947 0.001 . 1 . . . . . 3 ILE H . 51087 1 10 . 1 . 1 3 3 ILE C C 13 176.220 0.005 . 1 . . . . . 3 ILE C . 51087 1 11 . 1 . 1 3 3 ILE CA C 13 61.605 0.013 . 1 . . . . . 3 ILE CA . 51087 1 12 . 1 . 1 3 3 ILE CB C 13 38.434 0.012 . 1 . . . . . 3 ILE CB . 51087 1 13 . 1 . 1 3 3 ILE N N 15 120.563 0.007 . 1 . . . . . 3 ILE N . 51087 1 14 . 1 . 1 4 4 ASN H H 1 8.097 0.000 . 1 . . . . . 4 ASN H . 51087 1 15 . 1 . 1 4 4 ASN C C 13 175.661 0.000 . 1 . . . . . 4 ASN C . 51087 1 16 . 1 . 1 4 4 ASN CA C 13 54.802 0.000 . 1 . . . . . 4 ASN CA . 51087 1 17 . 1 . 1 4 4 ASN CB C 13 38.614 0.000 . 1 . . . . . 4 ASN CB . 51087 1 18 . 1 . 1 4 4 ASN N N 15 118.618 0.013 . 1 . . . . . 4 ASN N . 51087 1 19 . 1 . 1 5 5 LYS H H 1 7.912 0.002 . 1 . . . . . 5 LYS H . 51087 1 20 . 1 . 1 5 5 LYS C C 13 175.962 0.000 . 1 . . . . . 5 LYS C . 51087 1 21 . 1 . 1 5 5 LYS CA C 13 55.898 0.014 . 1 . . . . . 5 LYS CA . 51087 1 22 . 1 . 1 5 5 LYS CB C 13 31.877 0.222 . 1 . . . . . 5 LYS CB . 51087 1 23 . 1 . 1 5 5 LYS N N 15 117.230 0.120 . 1 . . . . . 5 LYS N . 51087 1 24 . 1 . 1 6 6 PHE H H 1 7.943 0.002 . 1 . . . . . 6 PHE H . 51087 1 25 . 1 . 1 6 6 PHE C C 13 177.349 0.002 . 1 . . . . . 6 PHE C . 51087 1 26 . 1 . 1 6 6 PHE CA C 13 55.829 0.004 . 1 . . . . . 6 PHE CA . 51087 1 27 . 1 . 1 6 6 PHE CB C 13 40.105 0.000 . 1 . . . . . 6 PHE CB . 51087 1 28 . 1 . 1 6 6 PHE N N 15 120.569 0.002 . 1 . . . . . 6 PHE N . 51087 1 29 . 1 . 1 7 7 THR H H 1 8.503 0.001 . 1 . . . . . 7 THR H . 51087 1 30 . 1 . 1 7 7 THR C C 13 175.536 0.006 . 1 . . . . . 7 THR C . 51087 1 31 . 1 . 1 7 7 THR CA C 13 61.726 0.021 . 1 . . . . . 7 THR CA . 51087 1 32 . 1 . 1 7 7 THR CB C 13 70.176 0.028 . 1 . . . . . 7 THR CB . 51087 1 33 . 1 . 1 7 7 THR N N 15 112.290 0.162 . 1 . . . . . 7 THR N . 51087 1 34 . 1 . 1 8 8 ILE H H 1 8.499 0.001 . 1 . . . . . 8 ILE H . 51087 1 35 . 1 . 1 8 8 ILE C C 13 178.282 0.001 . 1 . . . . . 8 ILE C . 51087 1 36 . 1 . 1 8 8 ILE CA C 13 64.403 0.094 . 1 . . . . . 8 ILE CA . 51087 1 37 . 1 . 1 8 8 ILE CB C 13 37.129 0.019 . 1 . . . . . 8 ILE CB . 51087 1 38 . 1 . 1 8 8 ILE N N 15 121.882 0.068 . 1 . . . . . 8 ILE N . 51087 1 39 . 1 . 1 9 9 LYS H H 1 8.289 0.003 . 1 . . . . . 9 LYS H . 51087 1 40 . 1 . 1 9 9 LYS C C 13 179.716 0.004 . 1 . . . . . 9 LYS C . 51087 1 41 . 1 . 1 9 9 LYS CA C 13 58.644 0.199 . 1 . . . . . 9 LYS CA . 51087 1 42 . 1 . 1 9 9 LYS CB C 13 31.660 0.051 . 1 . . . . . 9 LYS CB . 51087 1 43 . 1 . 1 9 9 LYS N N 15 117.142 0.286 . 1 . . . . . 9 LYS N . 51087 1 44 . 1 . 1 10 10 LEU H H 1 7.479 0.001 . 1 . . . . . 10 LEU H . 51087 1 45 . 1 . 1 10 10 LEU C C 13 178.530 0.003 . 1 . . . . . 10 LEU C . 51087 1 46 . 1 . 1 10 10 LEU CA C 13 57.402 0.016 . 1 . . . . . 10 LEU CA . 51087 1 47 . 1 . 1 10 10 LEU CB C 13 41.439 0.041 . 1 . . . . . 10 LEU CB . 51087 1 48 . 1 . 1 10 10 LEU N N 15 120.651 0.117 . 1 . . . . . 10 LEU N . 51087 1 49 . 1 . 1 11 11 GLN H H 1 8.864 0.002 . 1 . . . . . 11 GLN H . 51087 1 50 . 1 . 1 11 11 GLN C C 13 179.667 0.014 . 1 . . . . . 11 GLN C . 51087 1 51 . 1 . 1 11 11 GLN CA C 13 60.462 0.013 . 1 . . . . . 11 GLN CA . 51087 1 52 . 1 . 1 11 11 GLN CB C 13 28.355 0.007 . 1 . . . . . 11 GLN CB . 51087 1 53 . 1 . 1 11 11 GLN N N 15 119.850 0.169 . 1 . . . . . 11 GLN N . 51087 1 54 . 1 . 1 12 12 GLU H H 1 8.489 0.001 . 1 . . . . . 12 GLU H . 51087 1 55 . 1 . 1 12 12 GLU C C 13 179.209 0.016 . 1 . . . . . 12 GLU C . 51087 1 56 . 1 . 1 12 12 GLU CA C 13 59.511 0.110 . 1 . . . . . 12 GLU CA . 51087 1 57 . 1 . 1 12 12 GLU CB C 13 29.317 0.018 . 1 . . . . . 12 GLU CB . 51087 1 58 . 1 . 1 12 12 GLU N N 15 119.270 0.016 . 1 . . . . . 12 GLU N . 51087 1 59 . 1 . 1 13 13 ALA H H 1 7.694 0.002 . 1 . . . . . 13 ALA H . 51087 1 60 . 1 . 1 13 13 ALA C C 13 178.969 0.008 . 1 . . . . . 13 ALA C . 51087 1 61 . 1 . 1 13 13 ALA CA C 13 54.978 0.011 . 1 . . . . . 13 ALA CA . 51087 1 62 . 1 . 1 13 13 ALA CB C 13 18.010 0.003 . 1 . . . . . 13 ALA CB . 51087 1 63 . 1 . 1 13 13 ALA N N 15 123.018 0.194 . 1 . . . . . 13 ALA N . 51087 1 64 . 1 . 1 14 14 LEU H H 1 8.388 0.001 . 1 . . . . . 14 LEU H . 51087 1 65 . 1 . 1 14 14 LEU C C 13 179.111 0.047 . 1 . . . . . 14 LEU C . 51087 1 66 . 1 . 1 14 14 LEU CA C 13 58.593 0.089 . 1 . . . . . 14 LEU CA . 51087 1 67 . 1 . 1 14 14 LEU CB C 13 41.637 0.003 . 1 . . . . . 14 LEU CB . 51087 1 68 . 1 . 1 14 14 LEU N N 15 119.037 0.099 . 1 . . . . . 14 LEU N . 51087 1 69 . 1 . 1 15 15 ALA H H 1 7.949 0.001 . 1 . . . . . 15 ALA H . 51087 1 70 . 1 . 1 15 15 ALA C C 13 181.011 0.000 . 1 . . . . . 15 ALA C . 51087 1 71 . 1 . 1 15 15 ALA CA C 13 55.119 0.065 . 1 . . . . . 15 ALA CA . 51087 1 72 . 1 . 1 15 15 ALA CB C 13 17.773 0.000 . 1 . . . . . 15 ALA CB . 51087 1 73 . 1 . 1 15 15 ALA N N 15 121.596 0.180 . 1 . . . . . 15 ALA N . 51087 1 74 . 1 . 1 17 17 ALA H H 1 8.555 0.001 . 1 . . . . . 17 ALA H . 51087 1 75 . 1 . 1 17 17 ALA C C 13 179.000 0.020 . 1 . . . . . 17 ALA C . 51087 1 76 . 1 . 1 17 17 ALA CA C 13 54.619 0.040 . 1 . . . . . 17 ALA CA . 51087 1 77 . 1 . 1 17 17 ALA CB C 13 19.639 0.061 . 1 . . . . . 17 ALA CB . 51087 1 78 . 1 . 1 17 17 ALA N N 15 123.150 0.075 . 1 . . . . . 17 ALA N . 51087 1 79 . 1 . 1 18 18 GLN H H 1 7.606 0.005 . 1 . . . . . 18 GLN H . 51087 1 80 . 1 . 1 18 18 GLN C C 13 177.981 0.011 . 1 . . . . . 18 GLN C . 51087 1 81 . 1 . 1 18 18 GLN CA C 13 59.386 0.049 . 1 . . . . . 18 GLN CA . 51087 1 82 . 1 . 1 18 18 GLN CB C 13 28.621 0.008 . 1 . . . . . 18 GLN CB . 51087 1 83 . 1 . 1 18 18 GLN N N 15 115.390 0.069 . 1 . . . . . 18 GLN N . 51087 1 84 . 1 . 1 19 19 SER H H 1 7.881 0.001 . 1 . . . . . 19 SER H . 51087 1 85 . 1 . 1 19 19 SER C C 13 177.049 0.000 . 1 . . . . . 19 SER C . 51087 1 86 . 1 . 1 19 19 SER CA C 13 61.478 0.047 . 1 . . . . . 19 SER CA . 51087 1 87 . 1 . 1 19 19 SER CB C 13 62.896 0.088 . 1 . . . . . 19 SER CB . 51087 1 88 . 1 . 1 19 19 SER N N 15 115.234 0.152 . 1 . . . . . 19 SER N . 51087 1 89 . 1 . 1 20 20 TYR H H 1 8.867 0.001 . 1 . . . . . 20 TYR H . 51087 1 90 . 1 . 1 20 20 TYR C C 13 178.292 0.020 . 1 . . . . . 20 TYR C . 51087 1 91 . 1 . 1 20 20 TYR CA C 13 62.422 0.062 . 1 . . . . . 20 TYR CA . 51087 1 92 . 1 . 1 20 20 TYR CB C 13 38.346 0.023 . 1 . . . . . 20 TYR CB . 51087 1 93 . 1 . 1 20 20 TYR N N 15 124.343 0.162 . 1 . . . . . 20 TYR N . 51087 1 94 . 1 . 1 21 21 ALA H H 1 8.099 0.003 . 1 . . . . . 21 ALA H . 51087 1 95 . 1 . 1 21 21 ALA C C 13 179.470 0.006 . 1 . . . . . 21 ALA C . 51087 1 96 . 1 . 1 21 21 ALA CA C 13 54.553 0.008 . 1 . . . . . 21 ALA CA . 51087 1 97 . 1 . 1 21 21 ALA CB C 13 17.652 0.056 . 1 . . . . . 21 ALA CB . 51087 1 98 . 1 . 1 21 21 ALA N N 15 120.467 0.075 . 1 . . . . . 21 ALA N . 51087 1 99 . 1 . 1 22 22 PHE H H 1 8.250 0.002 . 1 . . . . . 22 PHE H . 51087 1 100 . 1 . 1 22 22 PHE C C 13 179.544 0.038 . 1 . . . . . 22 PHE C . 51087 1 101 . 1 . 1 22 22 PHE CA C 13 61.205 0.002 . 1 . . . . . 22 PHE CA . 51087 1 102 . 1 . 1 22 22 PHE CB C 13 38.918 0.053 . 1 . . . . . 22 PHE CB . 51087 1 103 . 1 . 1 22 22 PHE N N 15 118.080 0.075 . 1 . . . . . 22 PHE N . 51087 1 104 . 1 . 1 23 23 GLN H H 1 8.283 0.006 . 1 . . . . . 23 GLN H . 51087 1 105 . 1 . 1 23 23 GLN C C 13 177.737 0.001 . 1 . . . . . 23 GLN C . 51087 1 106 . 1 . 1 23 23 GLN CA C 13 58.773 0.022 . 1 . . . . . 23 GLN CA . 51087 1 107 . 1 . 1 23 23 GLN CB C 13 28.160 0.026 . 1 . . . . . 23 GLN CB . 51087 1 108 . 1 . 1 23 23 GLN N N 15 121.263 0.028 . 1 . . . . . 23 GLN N . 51087 1 109 . 1 . 1 24 24 GLN H H 1 8.039 0.001 . 1 . . . . . 24 GLN H . 51087 1 110 . 1 . 1 24 24 GLN C C 13 175.220 0.000 . 1 . . . . . 24 GLN C . 51087 1 111 . 1 . 1 24 24 GLN CA C 13 56.423 0.000 . 1 . . . . . 24 GLN CA . 51087 1 112 . 1 . 1 24 24 GLN CB C 13 30.138 0.000 . 1 . . . . . 24 GLN CB . 51087 1 113 . 1 . 1 24 24 GLN N N 15 117.334 0.007 . 1 . . . . . 24 GLN N . 51087 1 114 . 1 . 1 25 25 LYS H H 1 7.622 0.001 . 1 . . . . . 25 LYS H . 51087 1 115 . 1 . 1 25 25 LYS C C 13 175.450 0.006 . 1 . . . . . 25 LYS C . 51087 1 116 . 1 . 1 25 25 LYS CA C 13 57.091 0.043 . 1 . . . . . 25 LYS CA . 51087 1 117 . 1 . 1 25 25 LYS CB C 13 28.946 0.020 . 1 . . . . . 25 LYS CB . 51087 1 118 . 1 . 1 25 25 LYS N N 15 112.625 0.097 . 1 . . . . . 25 LYS N . 51087 1 119 . 1 . 1 26 26 ALA H H 1 7.930 0.001 . 1 . . . . . 26 ALA H . 51087 1 120 . 1 . 1 26 26 ALA C C 13 177.871 0.017 . 1 . . . . . 26 ALA C . 51087 1 121 . 1 . 1 26 26 ALA CA C 13 52.186 0.020 . 1 . . . . . 26 ALA CA . 51087 1 122 . 1 . 1 26 26 ALA CB C 13 19.909 0.035 . 1 . . . . . 26 ALA CB . 51087 1 123 . 1 . 1 26 26 ALA N N 15 119.300 0.061 . 1 . . . . . 26 ALA N . 51087 1 124 . 1 . 1 27 27 THR H H 1 8.335 0.001 . 1 . . . . . 27 THR H . 51087 1 125 . 1 . 1 27 27 THR C C 13 175.099 0.005 . 1 . . . . . 27 THR C . 51087 1 126 . 1 . 1 27 27 THR CA C 13 63.537 0.007 . 1 . . . . . 27 THR CA . 51087 1 127 . 1 . 1 27 27 THR CB C 13 69.274 0.025 . 1 . . . . . 27 THR CB . 51087 1 128 . 1 . 1 27 27 THR N N 15 108.894 0.034 . 1 . . . . . 27 THR N . 51087 1 129 . 1 . 1 28 28 GLU H H 1 7.407 0.001 . 1 . . . . . 28 GLU H . 51087 1 130 . 1 . 1 28 28 GLU C C 13 174.304 0.013 . 1 . . . . . 28 GLU C . 51087 1 131 . 1 . 1 28 28 GLU CA C 13 54.108 0.020 . 1 . . . . . 28 GLU CA . 51087 1 132 . 1 . 1 28 28 GLU CB C 13 32.881 0.011 . 1 . . . . . 28 GLU CB . 51087 1 133 . 1 . 1 28 28 GLU N N 15 116.409 0.005 . 1 . . . . . 28 GLU N . 51087 1 134 . 1 . 1 29 29 PHE H H 1 8.156 0.000 . 1 . . . . . 29 PHE H . 51087 1 135 . 1 . 1 29 29 PHE C C 13 173.909 0.000 . 1 . . . . . 29 PHE C . 51087 1 136 . 1 . 1 29 29 PHE CA C 13 54.447 0.003 . 1 . . . . . 29 PHE CA . 51087 1 137 . 1 . 1 29 29 PHE CB C 13 41.172 0.006 . 1 . . . . . 29 PHE CB . 51087 1 138 . 1 . 1 29 29 PHE N N 15 117.655 0.004 . 1 . . . . . 29 PHE N . 51087 1 139 . 1 . 1 30 30 THR H H 1 8.815 0.002 . 1 . . . . . 30 THR H . 51087 1 140 . 1 . 1 30 30 THR C C 13 175.966 0.000 . 1 . . . . . 30 THR C . 51087 1 141 . 1 . 1 30 30 THR CA C 13 61.517 0.034 . 1 . . . . . 30 THR CA . 51087 1 142 . 1 . 1 30 30 THR CB C 13 74.004 0.045 . 1 . . . . . 30 THR CB . 51087 1 143 . 1 . 1 30 30 THR N N 15 114.850 0.154 . 1 . . . . . 30 THR N . 51087 1 144 . 1 . 1 31 31 SER H H 1 9.630 0.002 . 1 . . . . . 31 SER H . 51087 1 145 . 1 . 1 31 31 SER C C 13 176.649 0.025 . 1 . . . . . 31 SER C . 51087 1 146 . 1 . 1 31 31 SER CA C 13 63.007 0.001 . 1 . . . . . 31 SER CA . 51087 1 147 . 1 . 1 31 31 SER N N 15 119.126 0.182 . 1 . . . . . 31 SER N . 51087 1 148 . 1 . 1 32 32 ALA H H 1 8.632 0.001 . 1 . . . . . 32 ALA H . 51087 1 149 . 1 . 1 32 32 ALA C C 13 178.350 0.002 . 1 . . . . . 32 ALA C . 51087 1 150 . 1 . 1 32 32 ALA CA C 13 55.653 0.009 . 1 . . . . . 32 ALA CA . 51087 1 151 . 1 . 1 32 32 ALA CB C 13 17.245 0.007 . 1 . . . . . 32 ALA CB . 51087 1 152 . 1 . 1 32 32 ALA N N 15 123.406 0.129 . 1 . . . . . 32 ALA N . 51087 1 153 . 1 . 1 33 33 HIS H H 1 7.730 0.001 . 1 . . . . . 33 HIS H . 51087 1 154 . 1 . 1 33 33 HIS C C 13 178.578 0.000 . 1 . . . . . 33 HIS C . 51087 1 155 . 1 . 1 33 33 HIS CA C 13 62.916 0.005 . 1 . . . . . 33 HIS CA . 51087 1 156 . 1 . 1 33 33 HIS CB C 13 31.006 0.010 . 1 . . . . . 33 HIS CB . 51087 1 157 . 1 . 1 33 33 HIS N N 15 115.337 0.037 . 1 . . . . . 33 HIS N . 51087 1 158 . 1 . 1 34 34 ILE H H 1 7.288 0.001 . 1 . . . . . 34 ILE H . 51087 1 159 . 1 . 1 34 34 ILE C C 13 176.751 0.000 . 1 . . . . . 34 ILE C . 51087 1 160 . 1 . 1 34 34 ILE CA C 13 65.083 0.012 . 1 . . . . . 34 ILE CA . 51087 1 161 . 1 . 1 34 34 ILE CB C 13 36.764 0.008 . 1 . . . . . 34 ILE CB . 51087 1 162 . 1 . 1 34 34 ILE N N 15 119.174 0.088 . 1 . . . . . 34 ILE N . 51087 1 163 . 1 . 1 35 35 LEU H H 1 8.296 0.002 . 1 . . . . . 35 LEU H . 51087 1 164 . 1 . 1 35 35 LEU C C 13 177.294 0.003 . 1 . . . . . 35 LEU C . 51087 1 165 . 1 . 1 35 35 LEU CA C 13 58.530 0.003 . 1 . . . . . 35 LEU CA . 51087 1 166 . 1 . 1 35 35 LEU CB C 13 42.688 0.004 . 1 . . . . . 35 LEU CB . 51087 1 167 . 1 . 1 35 35 LEU N N 15 120.359 0.007 . 1 . . . . . 35 LEU N . 51087 1 168 . 1 . 1 36 36 LYS H H 1 8.182 0.002 . 1 . . . . . 36 LYS H . 51087 1 169 . 1 . 1 36 36 LYS C C 13 176.962 0.005 . 1 . . . . . 36 LYS C . 51087 1 170 . 1 . 1 36 36 LYS CA C 13 60.126 0.029 . 1 . . . . . 36 LYS CA . 51087 1 171 . 1 . 1 36 36 LYS CB C 13 33.220 0.067 . 1 . . . . . 36 LYS CB . 51087 1 172 . 1 . 1 36 36 LYS N N 15 118.202 0.193 . 1 . . . . . 36 LYS N . 51087 1 173 . 1 . 1 37 37 ALA H H 1 7.357 0.000 . 1 . . . . . 37 ALA H . 51087 1 174 . 1 . 1 37 37 ALA C C 13 180.982 0.009 . 1 . . . . . 37 ALA C . 51087 1 175 . 1 . 1 37 37 ALA CA C 13 55.132 0.048 . 1 . . . . . 37 ALA CA . 51087 1 176 . 1 . 1 37 37 ALA CB C 13 19.314 0.006 . 1 . . . . . 37 ALA CB . 51087 1 177 . 1 . 1 37 37 ALA N N 15 119.240 0.102 . 1 . . . . . 37 ALA N . 51087 1 178 . 1 . 1 38 38 LEU H H 1 8.639 0.002 . 1 . . . . . 38 LEU H . 51087 1 179 . 1 . 1 38 38 LEU CA C 13 57.947 0.019 . 1 . . . . . 38 LEU CA . 51087 1 180 . 1 . 1 38 38 LEU CB C 13 42.567 0.000 . 1 . . . . . 38 LEU CB . 51087 1 181 . 1 . 1 38 38 LEU N N 15 117.914 0.056 . 1 . . . . . 38 LEU N . 51087 1 182 . 1 . 1 40 40 GLU C C 13 177.625 0.042 . 1 . . . . . 40 GLU C . 51087 1 183 . 1 . 1 40 40 GLU CA C 13 53.345 0.013 . 1 . . . . . 40 GLU CA . 51087 1 184 . 1 . 1 40 40 GLU CB C 13 35.551 0.000 . 1 . . . . . 40 GLU CB . 51087 1 185 . 1 . 1 43 43 ASP H H 1 8.251 0.000 . 1 . . . . . 43 ASP H . 51087 1 186 . 1 . 1 43 43 ASP CA C 13 54.492 0.072 . 1 . . . . . 43 ASP CA . 51087 1 187 . 1 . 1 43 43 ASP CB C 13 41.198 0.000 . 1 . . . . . 43 ASP CB . 51087 1 188 . 1 . 1 43 43 ASP N N 15 117.916 0.017 . 1 . . . . . 43 ASP N . 51087 1 189 . 1 . 1 45 45 VAL C C 13 177.008 0.000 . 1 . . . . . 45 VAL C . 51087 1 190 . 1 . 1 45 45 VAL CA C 13 65.578 0.000 . 1 . . . . . 45 VAL CA . 51087 1 191 . 1 . 1 45 45 VAL CB C 13 31.629 0.000 . 1 . . . . . 45 VAL CB . 51087 1 192 . 1 . 1 46 46 ALA H H 1 7.975 0.001 . 1 . . . . . 46 ALA H . 51087 1 193 . 1 . 1 46 46 ALA C C 13 178.683 0.000 . 1 . . . . . 46 ALA C . 51087 1 194 . 1 . 1 46 46 ALA CA C 13 55.315 0.000 . 1 . . . . . 46 ALA CA . 51087 1 195 . 1 . 1 46 46 ALA CB C 13 18.003 0.000 . 1 . . . . . 46 ALA CB . 51087 1 196 . 1 . 1 46 46 ALA N N 15 120.821 0.014 . 1 . . . . . 46 ALA N . 51087 1 197 . 1 . 1 47 47 ILE H H 1 7.732 0.000 . 1 . . . . . 47 ILE H . 51087 1 198 . 1 . 1 47 47 ILE CA C 13 62.974 0.036 . 1 . . . . . 47 ILE CA . 51087 1 199 . 1 . 1 47 47 ILE N N 15 115.369 0.000 . 1 . . . . . 47 ILE N . 51087 1 200 . 1 . 1 51 51 SER H H 1 8.382 0.001 . 1 . . . . . 51 SER H . 51087 1 201 . 1 . 1 51 51 SER C C 13 178.678 0.000 . 1 . . . . . 51 SER C . 51087 1 202 . 1 . 1 51 51 SER CA C 13 62.657 0.000 . 1 . . . . . 51 SER CA . 51087 1 203 . 1 . 1 51 51 SER CB C 13 62.680 0.034 . 1 . . . . . 51 SER CB . 51087 1 204 . 1 . 1 51 51 SER N N 15 115.308 0.084 . 1 . . . . . 51 SER N . 51087 1 205 . 1 . 1 52 52 VAL H H 1 7.672 0.002 . 1 . . . . . 52 VAL H . 51087 1 206 . 1 . 1 52 52 VAL C C 13 177.951 0.007 . 1 . . . . . 52 VAL C . 51087 1 207 . 1 . 1 52 52 VAL CA C 13 65.412 0.032 . 1 . . . . . 52 VAL CA . 51087 1 208 . 1 . 1 52 52 VAL CB C 13 31.185 0.006 . 1 . . . . . 52 VAL CB . 51087 1 209 . 1 . 1 52 52 VAL N N 15 122.163 0.188 . 1 . . . . . 52 VAL N . 51087 1 210 . 1 . 1 53 53 CYS H H 1 7.355 0.001 . 1 . . . . . 53 CYS H . 51087 1 211 . 1 . 1 53 53 CYS C C 13 174.169 0.009 . 1 . . . . . 53 CYS C . 51087 1 212 . 1 . 1 53 53 CYS CA C 13 61.184 0.026 . 1 . . . . . 53 CYS CA . 51087 1 213 . 1 . 1 53 53 CYS CB C 13 27.318 0.062 . 1 . . . . . 53 CYS CB . 51087 1 214 . 1 . 1 53 53 CYS N N 15 116.575 0.113 . 1 . . . . . 53 CYS N . 51087 1 215 . 1 . 1 54 54 GLY H H 1 7.853 0.001 . 1 . . . . . 54 GLY H . 51087 1 216 . 1 . 1 54 54 GLY C C 13 174.182 0.003 . 1 . . . . . 54 GLY C . 51087 1 217 . 1 . 1 54 54 GLY CA C 13 45.648 0.026 . 1 . . . . . 54 GLY CA . 51087 1 218 . 1 . 1 54 54 GLY N N 15 107.518 0.039 . 1 . . . . . 54 GLY N . 51087 1 219 . 1 . 1 55 55 VAL H H 1 7.117 0.001 . 1 . . . . . 55 VAL H . 51087 1 220 . 1 . 1 55 55 VAL C C 13 174.872 0.002 . 1 . . . . . 55 VAL C . 51087 1 221 . 1 . 1 55 55 VAL CA C 13 61.993 0.096 . 1 . . . . . 55 VAL CA . 51087 1 222 . 1 . 1 55 55 VAL CB C 13 32.806 0.013 . 1 . . . . . 55 VAL CB . 51087 1 223 . 1 . 1 55 55 VAL N N 15 119.195 0.127 . 1 . . . . . 55 VAL N . 51087 1 224 . 1 . 1 56 56 ASN H H 1 8.760 0.000 . 1 . . . . . 56 ASN H . 51087 1 225 . 1 . 1 56 56 ASN C C 13 174.898 0.008 . 1 . . . . . 56 ASN C . 51087 1 226 . 1 . 1 56 56 ASN CA C 13 53.266 0.010 . 1 . . . . . 56 ASN CA . 51087 1 227 . 1 . 1 56 56 ASN CB C 13 37.865 0.017 . 1 . . . . . 56 ASN CB . 51087 1 228 . 1 . 1 56 56 ASN N N 15 125.588 0.197 . 1 . . . . . 56 ASN N . 51087 1 229 . 1 . 1 57 57 ILE H H 1 8.360 0.001 . 1 . . . . . 57 ILE H . 51087 1 230 . 1 . 1 57 57 ILE C C 13 176.982 0.001 . 1 . . . . . 57 ILE C . 51087 1 231 . 1 . 1 57 57 ILE CA C 13 62.383 0.019 . 1 . . . . . 57 ILE CA . 51087 1 232 . 1 . 1 57 57 ILE CB C 13 36.053 0.034 . 1 . . . . . 57 ILE CB . 51087 1 233 . 1 . 1 57 57 ILE N N 15 129.692 0.036 . 1 . . . . . 57 ILE N . 51087 1 234 . 1 . 1 58 58 GLN H H 1 8.248 0.002 . 1 . . . . . 58 GLN H . 51087 1 235 . 1 . 1 58 58 GLN C C 13 179.259 0.005 . 1 . . . . . 58 GLN C . 51087 1 236 . 1 . 1 58 58 GLN CA C 13 59.908 0.012 . 1 . . . . . 58 GLN CA . 51087 1 237 . 1 . 1 58 58 GLN CB C 13 27.745 0.010 . 1 . . . . . 58 GLN CB . 51087 1 238 . 1 . 1 58 58 GLN N N 15 119.140 0.174 . 1 . . . . . 58 GLN N . 51087 1 239 . 1 . 1 59 59 ASN H H 1 8.150 0.001 . 1 . . . . . 59 ASN H . 51087 1 240 . 1 . 1 59 59 ASN C C 13 177.815 0.019 . 1 . . . . . 59 ASN C . 51087 1 241 . 1 . 1 59 59 ASN CA C 13 55.295 0.055 . 1 . . . . . 59 ASN CA . 51087 1 242 . 1 . 1 59 59 ASN CB C 13 37.244 0.000 . 1 . . . . . 59 ASN CB . 51087 1 243 . 1 . 1 59 59 ASN N N 15 117.716 0.134 . 1 . . . . . 59 ASN N . 51087 1 244 . 1 . 1 60 60 PHE H H 1 8.613 0.002 . 1 . . . . . 60 PHE H . 51087 1 245 . 1 . 1 60 60 PHE C C 13 176.301 0.006 . 1 . . . . . 60 PHE C . 51087 1 246 . 1 . 1 60 60 PHE CA C 13 61.959 0.045 . 1 . . . . . 60 PHE CA . 51087 1 247 . 1 . 1 60 60 PHE CB C 13 39.942 0.018 . 1 . . . . . 60 PHE CB . 51087 1 248 . 1 . 1 60 60 PHE N N 15 125.459 0.207 . 1 . . . . . 60 PHE N . 51087 1 249 . 1 . 1 61 61 ILE H H 1 8.801 0.001 . 1 . . . . . 61 ILE H . 51087 1 250 . 1 . 1 61 61 ILE C C 13 178.045 0.003 . 1 . . . . . 61 ILE C . 51087 1 251 . 1 . 1 61 61 ILE CA C 13 66.180 0.028 . 1 . . . . . 61 ILE CA . 51087 1 252 . 1 . 1 61 61 ILE CB C 13 38.406 0.019 . 1 . . . . . 61 ILE CB . 51087 1 253 . 1 . 1 61 61 ILE N N 15 118.923 0.220 . 1 . . . . . 61 ILE N . 51087 1 254 . 1 . 1 62 62 LYS H H 1 7.286 0.001 . 1 . . . . . 62 LYS H . 51087 1 255 . 1 . 1 62 62 LYS C C 13 178.022 0.000 . 1 . . . . . 62 LYS C . 51087 1 256 . 1 . 1 62 62 LYS CA C 13 62.888 0.022 . 1 . . . . . 62 LYS CA . 51087 1 257 . 1 . 1 62 62 LYS CB C 13 30.942 0.000 . 1 . . . . . 62 LYS CB . 51087 1 258 . 1 . 1 62 62 LYS N N 15 119.359 0.003 . 1 . . . . . 62 LYS N . 51087 1 259 . 1 . 1 63 63 ALA H H 1 7.714 0.001 . 1 . . . . . 63 ALA H . 51087 1 260 . 1 . 1 63 63 ALA C C 13 180.528 0.000 . 1 . . . . . 63 ALA C . 51087 1 261 . 1 . 1 63 63 ALA CA C 13 55.246 0.088 . 1 . . . . . 63 ALA CA . 51087 1 262 . 1 . 1 63 63 ALA CB C 13 19.749 0.012 . 1 . . . . . 63 ALA CB . 51087 1 263 . 1 . 1 63 63 ALA N N 15 120.276 0.103 . 1 . . . . . 63 ALA N . 51087 1 264 . 1 . 1 64 64 VAL H H 1 8.486 0.001 . 1 . . . . . 64 VAL H . 51087 1 265 . 1 . 1 64 64 VAL C C 13 177.407 0.005 . 1 . . . . . 64 VAL C . 51087 1 266 . 1 . 1 64 64 VAL CA C 13 67.296 0.045 . 1 . . . . . 64 VAL CA . 51087 1 267 . 1 . 1 64 64 VAL CB C 13 31.235 0.024 . 1 . . . . . 64 VAL CB . 51087 1 268 . 1 . 1 64 64 VAL N N 15 118.139 0.177 . 1 . . . . . 64 VAL N . 51087 1 269 . 1 . 1 65 65 ASN H H 1 8.214 0.002 . 1 . . . . . 65 ASN H . 51087 1 270 . 1 . 1 65 65 ASN C C 13 178.625 0.017 . 1 . . . . . 65 ASN C . 51087 1 271 . 1 . 1 65 65 ASN CA C 13 56.362 0.050 . 1 . . . . . 65 ASN CA . 51087 1 272 . 1 . 1 65 65 ASN CB C 13 37.800 0.005 . 1 . . . . . 65 ASN CB . 51087 1 273 . 1 . 1 65 65 ASN N N 15 119.230 0.060 . 1 . . . . . 65 ASN N . 51087 1 274 . 1 . 1 66 66 ASP H H 1 8.764 0.002 . 1 . . . . . 66 ASP H . 51087 1 275 . 1 . 1 66 66 ASP C C 13 178.948 0.000 . 1 . . . . . 66 ASP C . 51087 1 276 . 1 . 1 66 66 ASP CA C 13 57.326 0.109 . 1 . . . . . 66 ASP CA . 51087 1 277 . 1 . 1 66 66 ASP CB C 13 39.983 0.035 . 1 . . . . . 66 ASP CB . 51087 1 278 . 1 . 1 66 66 ASP N N 15 121.726 0.174 . 1 . . . . . 66 ASP N . 51087 1 279 . 1 . 1 67 67 MET H H 1 7.596 0.001 . 1 . . . . . 67 MET H . 51087 1 280 . 1 . 1 67 67 MET C C 13 179.679 0.004 . 1 . . . . . 67 MET C . 51087 1 281 . 1 . 1 67 67 MET CA C 13 59.220 0.047 . 1 . . . . . 67 MET CA . 51087 1 282 . 1 . 1 67 67 MET CB C 13 32.606 0.081 . 1 . . . . . 67 MET CB . 51087 1 283 . 1 . 1 67 67 MET N N 15 120.359 0.164 . 1 . . . . . 67 MET N . 51087 1 284 . 1 . 1 68 68 VAL H H 1 8.303 0.001 . 1 . . . . . 68 VAL H . 51087 1 285 . 1 . 1 68 68 VAL C C 13 177.813 0.012 . 1 . . . . . 68 VAL C . 51087 1 286 . 1 . 1 68 68 VAL CA C 13 66.859 0.031 . 1 . . . . . 68 VAL CA . 51087 1 287 . 1 . 1 68 68 VAL CB C 13 31.351 0.072 . 1 . . . . . 68 VAL CB . 51087 1 288 . 1 . 1 68 68 VAL N N 15 121.958 0.095 . 1 . . . . . 68 VAL N . 51087 1 289 . 1 . 1 69 69 ASP H H 1 8.276 0.002 . 1 . . . . . 69 ASP H . 51087 1 290 . 1 . 1 69 69 ASP C C 13 177.484 0.002 . 1 . . . . . 69 ASP C . 51087 1 291 . 1 . 1 69 69 ASP CA C 13 56.189 0.011 . 1 . . . . . 69 ASP CA . 51087 1 292 . 1 . 1 69 69 ASP CB C 13 40.388 0.018 . 1 . . . . . 69 ASP CB . 51087 1 293 . 1 . 1 69 69 ASP N N 15 117.956 0.049 . 1 . . . . . 69 ASP N . 51087 1 294 . 1 . 1 70 70 SER H H 1 7.514 0.000 . 1 . . . . . 70 SER H . 51087 1 295 . 1 . 1 70 70 SER C C 13 174.499 0.009 . 1 . . . . . 70 SER C . 51087 1 296 . 1 . 1 70 70 SER CA C 13 59.045 0.009 . 1 . . . . . 70 SER CA . 51087 1 297 . 1 . 1 70 70 SER CB C 13 64.251 0.012 . 1 . . . . . 70 SER CB . 51087 1 298 . 1 . 1 70 70 SER N N 15 113.921 0.083 . 1 . . . . . 70 SER N . 51087 1 299 . 1 . 1 71 71 VAL H H 1 7.170 0.001 . 1 . . . . . 71 VAL H . 51087 1 300 . 1 . 1 71 71 VAL C C 13 175.024 0.002 . 1 . . . . . 71 VAL C . 51087 1 301 . 1 . 1 71 71 VAL CA C 13 62.442 0.013 . 1 . . . . . 71 VAL CA . 51087 1 302 . 1 . 1 71 71 VAL CB C 13 32.433 0.050 . 1 . . . . . 71 VAL CB . 51087 1 303 . 1 . 1 71 71 VAL N N 15 119.234 0.047 . 1 . . . . . 71 VAL N . 51087 1 304 . 1 . 1 72 72 ALA H H 1 8.171 0.001 . 1 . . . . . 72 ALA H . 51087 1 305 . 1 . 1 72 72 ALA C C 13 177.725 0.010 . 1 . . . . . 72 ALA C . 51087 1 306 . 1 . 1 72 72 ALA CA C 13 53.112 0.035 . 1 . . . . . 72 ALA CA . 51087 1 307 . 1 . 1 72 72 ALA CB C 13 18.945 0.067 . 1 . . . . . 72 ALA CB . 51087 1 308 . 1 . 1 72 72 ALA N N 15 125.794 0.064 . 1 . . . . . 72 ALA N . 51087 1 309 . 1 . 1 73 73 VAL H H 1 8.099 0.001 . 1 . . . . . 73 VAL H . 51087 1 310 . 1 . 1 73 73 VAL C C 13 176.545 0.005 . 1 . . . . . 73 VAL C . 51087 1 311 . 1 . 1 73 73 VAL CA C 13 60.180 0.025 . 1 . . . . . 73 VAL CA . 51087 1 312 . 1 . 1 73 73 VAL CB C 13 34.622 0.002 . 1 . . . . . 73 VAL CB . 51087 1 313 . 1 . 1 73 73 VAL N N 15 116.664 0.245 . 1 . . . . . 73 VAL N . 51087 1 314 . 1 . 1 74 74 LEU H H 1 8.669 0.002 . 1 . . . . . 74 LEU H . 51087 1 315 . 1 . 1 74 74 LEU C C 13 176.871 0.005 . 1 . . . . . 74 LEU C . 51087 1 316 . 1 . 1 74 74 LEU CA C 13 54.665 0.014 . 1 . . . . . 74 LEU CA . 51087 1 317 . 1 . 1 74 74 LEU CB C 13 43.137 0.050 . 1 . . . . . 74 LEU CB . 51087 1 318 . 1 . 1 74 74 LEU N N 15 124.510 0.070 . 1 . . . . . 74 LEU N . 51087 1 319 . 1 . 1 75 75 SER H H 1 8.282 0.001 . 1 . . . . . 75 SER H . 51087 1 320 . 1 . 1 75 75 SER C C 13 174.974 0.005 . 1 . . . . . 75 SER C . 51087 1 321 . 1 . 1 75 75 SER CA C 13 58.158 0.060 . 1 . . . . . 75 SER CA . 51087 1 322 . 1 . 1 75 75 SER CB C 13 64.237 0.025 . 1 . . . . . 75 SER CB . 51087 1 323 . 1 . 1 75 75 SER N N 15 115.453 0.145 . 1 . . . . . 75 SER N . 51087 1 324 . 1 . 1 76 76 GLY H H 1 8.157 0.002 . 1 . . . . . 76 GLY H . 51087 1 325 . 1 . 1 76 76 GLY C C 13 173.487 0.003 . 1 . . . . . 76 GLY C . 51087 1 326 . 1 . 1 76 76 GLY CA C 13 45.005 0.053 . 1 . . . . . 76 GLY CA . 51087 1 327 . 1 . 1 76 76 GLY N N 15 111.264 0.113 . 1 . . . . . 76 GLY N . 51087 1 328 . 1 . 1 77 77 GLU H H 1 8.255 0.001 . 1 . . . . . 77 GLU H . 51087 1 329 . 1 . 1 77 77 GLU C C 13 176.943 0.009 . 1 . . . . . 77 GLU C . 51087 1 330 . 1 . 1 77 77 GLU CA C 13 56.505 0.018 . 1 . . . . . 77 GLU CA . 51087 1 331 . 1 . 1 77 77 GLU CB C 13 30.507 0.063 . 1 . . . . . 77 GLU CB . 51087 1 332 . 1 . 1 77 77 GLU N N 15 120.540 0.109 . 1 . . . . . 77 GLU N . 51087 1 333 . 1 . 1 78 78 GLY H H 1 8.377 0.001 . 1 . . . . . 78 GLY H . 51087 1 334 . 1 . 1 78 78 GLY C C 13 172.911 0.000 . 1 . . . . . 78 GLY C . 51087 1 335 . 1 . 1 78 78 GLY CA C 13 44.871 0.018 . 1 . . . . . 78 GLY CA . 51087 1 336 . 1 . 1 78 78 GLY N N 15 108.871 0.008 . 1 . . . . . 78 GLY N . 51087 1 337 . 1 . 1 80 80 PRO C C 13 176.389 0.004 . 1 . . . . . 80 PRO C . 51087 1 338 . 1 . 1 80 80 PRO CA C 13 63.485 0.046 . 1 . . . . . 80 PRO CA . 51087 1 339 . 1 . 1 80 80 PRO CB C 13 31.876 0.029 . 1 . . . . . 80 PRO CB . 51087 1 340 . 1 . 1 81 81 GLN H H 1 7.970 0.001 . 1 . . . . . 81 GLN H . 51087 1 341 . 1 . 1 81 81 GLN C C 13 175.137 0.007 . 1 . . . . . 81 GLN C . 51087 1 342 . 1 . 1 81 81 GLN CA C 13 55.103 0.023 . 1 . . . . . 81 GLN CA . 51087 1 343 . 1 . 1 81 81 GLN CB C 13 29.081 0.013 . 1 . . . . . 81 GLN CB . 51087 1 344 . 1 . 1 81 81 GLN N N 15 118.057 0.105 . 1 . . . . . 81 GLN N . 51087 1 345 . 1 . 1 82 82 VAL H H 1 7.992 0.001 . 1 . . . . . 82 VAL H . 51087 1 346 . 1 . 1 82 82 VAL C C 13 175.538 0.005 . 1 . . . . . 82 VAL C . 51087 1 347 . 1 . 1 82 82 VAL CA C 13 62.390 0.018 . 1 . . . . . 82 VAL CA . 51087 1 348 . 1 . 1 82 82 VAL CB C 13 32.274 0.012 . 1 . . . . . 82 VAL CB . 51087 1 349 . 1 . 1 82 82 VAL N N 15 121.864 0.029 . 1 . . . . . 82 VAL N . 51087 1 350 . 1 . 1 83 83 THR H H 1 8.066 0.001 . 1 . . . . . 83 THR H . 51087 1 351 . 1 . 1 83 83 THR C C 13 171.964 0.000 . 1 . . . . . 83 THR C . 51087 1 352 . 1 . 1 83 83 THR CA C 13 59.468 0.003 . 1 . . . . . 83 THR CA . 51087 1 353 . 1 . 1 83 83 THR CB C 13 70.558 0.000 . 1 . . . . . 83 THR CB . 51087 1 354 . 1 . 1 83 83 THR N N 15 119.719 0.145 . 1 . . . . . 83 THR N . 51087 1 355 . 1 . 1 84 84 PRO C C 13 176.740 0.000 . 1 . . . . . 84 PRO C . 51087 1 356 . 1 . 1 84 84 PRO CA C 13 62.398 0.000 . 1 . . . . . 84 PRO CA . 51087 1 357 . 1 . 1 84 84 PRO CB C 13 31.862 0.000 . 1 . . . . . 84 PRO CB . 51087 1 358 . 1 . 1 85 85 SER H H 1 8.480 0.001 . 1 . . . . . 85 SER H . 51087 1 359 . 1 . 1 85 85 SER C C 13 174.014 0.001 . 1 . . . . . 85 SER C . 51087 1 360 . 1 . 1 85 85 SER CA C 13 57.273 0.015 . 1 . . . . . 85 SER CA . 51087 1 361 . 1 . 1 85 85 SER CB C 13 65.637 0.060 . 1 . . . . . 85 SER CB . 51087 1 362 . 1 . 1 85 85 SER N N 15 118.381 0.012 . 1 . . . . . 85 SER N . 51087 1 363 . 1 . 1 86 86 ARG H H 1 9.172 0.001 . 1 . . . . . 86 ARG H . 51087 1 364 . 1 . 1 86 86 ARG C C 13 180.924 0.000 . 1 . . . . . 86 ARG C . 51087 1 365 . 1 . 1 86 86 ARG CA C 13 55.556 0.085 . 1 . . . . . 86 ARG CA . 51087 1 366 . 1 . 1 86 86 ARG N N 15 121.189 0.152 . 1 . . . . . 86 ARG N . 51087 1 367 . 1 . 1 87 87 ASP H H 1 7.991 0.001 . 1 . . . . . 87 ASP H . 51087 1 368 . 1 . 1 87 87 ASP C C 13 177.658 0.012 . 1 . . . . . 87 ASP C . 51087 1 369 . 1 . 1 87 87 ASP CA C 13 57.559 0.012 . 1 . . . . . 87 ASP CA . 51087 1 370 . 1 . 1 87 87 ASP CB C 13 41.534 0.010 . 1 . . . . . 87 ASP CB . 51087 1 371 . 1 . 1 87 87 ASP N N 15 117.958 0.021 . 1 . . . . . 87 ASP N . 51087 1 372 . 1 . 1 88 88 LEU H H 1 7.848 0.001 . 1 . . . . . 88 LEU H . 51087 1 373 . 1 . 1 88 88 LEU C C 13 178.423 0.032 . 1 . . . . . 88 LEU C . 51087 1 374 . 1 . 1 88 88 LEU CA C 13 57.970 0.067 . 1 . . . . . 88 LEU CA . 51087 1 375 . 1 . 1 88 88 LEU CB C 13 39.813 0.006 . 1 . . . . . 88 LEU CB . 51087 1 376 . 1 . 1 88 88 LEU N N 15 124.089 0.185 . 1 . . . . . 88 LEU N . 51087 1 377 . 1 . 1 89 89 ILE H H 1 8.486 0.001 . 1 . . . . . 89 ILE H . 51087 1 378 . 1 . 1 89 89 ILE C C 13 178.366 0.000 . 1 . . . . . 89 ILE C . 51087 1 379 . 1 . 1 89 89 ILE CA C 13 65.254 0.013 . 1 . . . . . 89 ILE CA . 51087 1 380 . 1 . 1 89 89 ILE CB C 13 37.144 0.018 . 1 . . . . . 89 ILE CB . 51087 1 381 . 1 . 1 89 89 ILE N N 15 120.513 0.155 . 1 . . . . . 89 ILE N . 51087 1 382 . 1 . 1 90 90 ALA H H 1 7.482 0.000 . 1 . . . . . 90 ALA H . 51087 1 383 . 1 . 1 90 90 ALA C C 13 180.915 0.005 . 1 . . . . . 90 ALA C . 51087 1 384 . 1 . 1 90 90 ALA CA C 13 55.432 0.002 . 1 . . . . . 90 ALA CA . 51087 1 385 . 1 . 1 90 90 ALA CB C 13 17.716 0.051 . 1 . . . . . 90 ALA CB . 51087 1 386 . 1 . 1 90 90 ALA N N 15 121.754 0.158 . 1 . . . . . 90 ALA N . 51087 1 387 . 1 . 1 91 91 THR H H 1 8.418 0.001 . 1 . . . . . 91 THR H . 51087 1 388 . 1 . 1 91 91 THR C C 13 175.221 0.003 . 1 . . . . . 91 THR C . 51087 1 389 . 1 . 1 91 91 THR CA C 13 67.043 0.046 . 1 . . . . . 91 THR CA . 51087 1 390 . 1 . 1 91 91 THR CB C 13 68.116 0.067 . 1 . . . . . 91 THR CB . 51087 1 391 . 1 . 1 91 91 THR N N 15 120.957 0.097 . 1 . . . . . 91 THR N . 51087 1 392 . 1 . 1 92 92 LEU H H 1 9.235 0.002 . 1 . . . . . 92 LEU H . 51087 1 393 . 1 . 1 92 92 LEU C C 13 180.282 0.001 . 1 . . . . . 92 LEU C . 51087 1 394 . 1 . 1 92 92 LEU CA C 13 58.555 0.009 . 1 . . . . . 92 LEU CA . 51087 1 395 . 1 . 1 92 92 LEU CB C 13 41.109 0.020 . 1 . . . . . 92 LEU CB . 51087 1 396 . 1 . 1 92 92 LEU N N 15 123.472 0.282 . 1 . . . . . 92 LEU N . 51087 1 397 . 1 . 1 93 93 HIS H H 1 8.107 0.002 . 1 . . . . . 93 HIS H . 51087 1 398 . 1 . 1 93 93 HIS C C 13 179.026 0.009 . 1 . . . . . 93 HIS C . 51087 1 399 . 1 . 1 93 93 HIS CA C 13 59.682 0.001 . 1 . . . . . 93 HIS CA . 51087 1 400 . 1 . 1 93 93 HIS CB C 13 29.670 0.006 . 1 . . . . . 93 HIS CB . 51087 1 401 . 1 . 1 93 93 HIS N N 15 119.074 0.082 . 1 . . . . . 93 HIS N . 51087 1 402 . 1 . 1 94 94 LYS H H 1 8.337 0.001 . 1 . . . . . 94 LYS H . 51087 1 403 . 1 . 1 94 94 LYS C C 13 179.313 0.000 . 1 . . . . . 94 LYS C . 51087 1 404 . 1 . 1 94 94 LYS CA C 13 58.861 0.000 . 1 . . . . . 94 LYS CA . 51087 1 405 . 1 . 1 94 94 LYS CB C 13 31.695 0.000 . 1 . . . . . 94 LYS CB . 51087 1 406 . 1 . 1 94 94 LYS N N 15 122.185 0.007 . 1 . . . . . 94 LYS N . 51087 1 407 . 1 . 1 95 95 MET H H 1 8.718 0.001 . 1 . . . . . 95 MET H . 51087 1 408 . 1 . 1 95 95 MET C C 13 179.342 0.000 . 1 . . . . . 95 MET C . 51087 1 409 . 1 . 1 95 95 MET CA C 13 58.870 0.000 . 1 . . . . . 95 MET CA . 51087 1 410 . 1 . 1 95 95 MET CB C 13 31.681 0.000 . 1 . . . . . 95 MET CB . 51087 1 411 . 1 . 1 95 95 MET N N 15 119.024 0.005 . 1 . . . . . 95 MET N . 51087 1 412 . 1 . 1 96 96 GLN H H 1 7.698 0.009 . 1 . . . . . 96 GLN H . 51087 1 413 . 1 . 1 96 96 GLN C C 13 178.507 0.000 . 1 . . . . . 96 GLN C . 51087 1 414 . 1 . 1 96 96 GLN CA C 13 59.142 0.000 . 1 . . . . . 96 GLN CA . 51087 1 415 . 1 . 1 96 96 GLN CB C 13 28.200 0.000 . 1 . . . . . 96 GLN CB . 51087 1 416 . 1 . 1 96 96 GLN N N 15 117.567 0.163 . 1 . . . . . 96 GLN N . 51087 1 417 . 1 . 1 97 97 GLU CA C 13 59.710 0.033 . 1 . . . . . 97 GLU CA . 51087 1 418 . 1 . 1 98 98 LEU C C 13 179.101 0.000 . 1 . . . . . 98 LEU C . 51087 1 419 . 1 . 1 98 98 LEU CA C 13 57.809 0.000 . 1 . . . . . 98 LEU CA . 51087 1 420 . 1 . 1 98 98 LEU CB C 13 42.653 0.000 . 1 . . . . . 98 LEU CB . 51087 1 421 . 1 . 1 99 99 ALA H H 1 8.189 0.001 . 1 . . . . . 99 ALA H . 51087 1 422 . 1 . 1 99 99 ALA C C 13 179.807 0.000 . 1 . . . . . 99 ALA C . 51087 1 423 . 1 . 1 99 99 ALA CA C 13 55.129 0.000 . 1 . . . . . 99 ALA CA . 51087 1 424 . 1 . 1 99 99 ALA CB C 13 18.900 0.000 . 1 . . . . . 99 ALA CB . 51087 1 425 . 1 . 1 99 99 ALA N N 15 121.828 0.064 . 1 . . . . . 99 ALA N . 51087 1 426 . 1 . 1 100 100 ASN H H 1 8.086 0.002 . 1 . . . . . 100 ASN H . 51087 1 427 . 1 . 1 100 100 ASN C C 13 178.594 0.010 . 1 . . . . . 100 ASN C . 51087 1 428 . 1 . 1 100 100 ASN CA C 13 56.015 0.023 . 1 . . . . . 100 ASN CA . 51087 1 429 . 1 . 1 100 100 ASN CB C 13 38.371 0.037 . 1 . . . . . 100 ASN CB . 51087 1 430 . 1 . 1 100 100 ASN N N 15 115.997 0.055 . 1 . . . . . 100 ASN N . 51087 1 431 . 1 . 1 101 101 LYS H H 1 8.124 0.001 . 1 . . . . . 101 LYS H . 51087 1 432 . 1 . 1 101 101 LYS C C 13 177.877 0.008 . 1 . . . . . 101 LYS C . 51087 1 433 . 1 . 1 101 101 LYS CA C 13 58.957 0.031 . 1 . . . . . 101 LYS CA . 51087 1 434 . 1 . 1 101 101 LYS CB C 13 32.047 0.007 . 1 . . . . . 101 LYS CB . 51087 1 435 . 1 . 1 101 101 LYS N N 15 121.773 0.137 . 1 . . . . . 101 LYS N . 51087 1 436 . 1 . 1 102 102 ASN H H 1 7.798 0.001 . 1 . . . . . 102 ASN H . 51087 1 437 . 1 . 1 102 102 ASN C C 13 175.898 0.002 . 1 . . . . . 102 ASN C . 51087 1 438 . 1 . 1 102 102 ASN CA C 13 53.447 0.016 . 1 . . . . . 102 ASN CA . 51087 1 439 . 1 . 1 102 102 ASN CB C 13 39.176 0.014 . 1 . . . . . 102 ASN CB . 51087 1 440 . 1 . 1 102 102 ASN N N 15 115.369 0.013 . 1 . . . . . 102 ASN N . 51087 1 441 . 1 . 1 103 103 GLY H H 1 7.806 0.001 . 1 . . . . . 103 GLY H . 51087 1 442 . 1 . 1 103 103 GLY C C 13 174.680 0.002 . 1 . . . . . 103 GLY C . 51087 1 443 . 1 . 1 103 103 GLY CA C 13 45.741 0.003 . 1 . . . . . 103 GLY CA . 51087 1 444 . 1 . 1 103 103 GLY N N 15 107.738 0.167 . 1 . . . . . 103 GLY N . 51087 1 445 . 1 . 1 104 104 ASP H H 1 8.012 0.002 . 1 . . . . . 104 ASP H . 51087 1 446 . 1 . 1 104 104 ASP C C 13 176.104 0.000 . 1 . . . . . 104 ASP C . 51087 1 447 . 1 . 1 104 104 ASP CA C 13 54.571 0.035 . 1 . . . . . 104 ASP CA . 51087 1 448 . 1 . 1 104 104 ASP CB C 13 41.660 0.031 . 1 . . . . . 104 ASP CB . 51087 1 449 . 1 . 1 104 104 ASP N N 15 120.606 0.013 . 1 . . . . . 104 ASP N . 51087 1 450 . 1 . 1 105 105 GLU H H 1 8.637 0.003 . 1 . . . . . 105 GLU H . 51087 1 451 . 1 . 1 105 105 GLU C C 13 175.646 0.006 . 1 . . . . . 105 GLU C . 51087 1 452 . 1 . 1 105 105 GLU CA C 13 58.100 0.050 . 1 . . . . . 105 GLU CA . 51087 1 453 . 1 . 1 105 105 GLU CB C 13 30.350 0.024 . 1 . . . . . 105 GLU CB . 51087 1 454 . 1 . 1 105 105 GLU N N 15 123.247 0.084 . 1 . . . . . 105 GLU N . 51087 1 455 . 1 . 1 106 106 PHE H H 1 7.717 0.001 . 1 . . . . . 106 PHE H . 51087 1 456 . 1 . 1 106 106 PHE C C 13 175.563 0.008 . 1 . . . . . 106 PHE C . 51087 1 457 . 1 . 1 106 106 PHE CA C 13 55.566 0.063 . 1 . . . . . 106 PHE CA . 51087 1 458 . 1 . 1 106 106 PHE CB C 13 42.481 0.017 . 1 . . . . . 106 PHE CB . 51087 1 459 . 1 . 1 106 106 PHE N N 15 114.002 0.126 . 1 . . . . . 106 PHE N . 51087 1 460 . 1 . 1 107 107 ILE H H 1 9.174 0.002 . 1 . . . . . 107 ILE H . 51087 1 461 . 1 . 1 107 107 ILE C C 13 174.055 0.013 . 1 . . . . . 107 ILE C . 51087 1 462 . 1 . 1 107 107 ILE CA C 13 62.972 0.027 . 1 . . . . . 107 ILE CA . 51087 1 463 . 1 . 1 107 107 ILE CB C 13 38.146 0.028 . 1 . . . . . 107 ILE CB . 51087 1 464 . 1 . 1 107 107 ILE N N 15 122.379 0.124 . 1 . . . . . 107 ILE N . 51087 1 465 . 1 . 1 108 108 SER H H 1 7.737 0.001 . 1 . . . . . 108 SER H . 51087 1 466 . 1 . 1 108 108 SER C C 13 176.072 0.004 . 1 . . . . . 108 SER C . 51087 1 467 . 1 . 1 108 108 SER CA C 13 56.639 0.059 . 1 . . . . . 108 SER CA . 51087 1 468 . 1 . 1 108 108 SER CB C 13 67.313 0.056 . 1 . . . . . 108 SER CB . 51087 1 469 . 1 . 1 108 108 SER N N 15 121.850 0.060 . 1 . . . . . 108 SER N . 51087 1 470 . 1 . 1 109 109 SER H H 1 9.005 0.003 . 1 . . . . . 109 SER H . 51087 1 471 . 1 . 1 109 109 SER CA C 13 62.817 0.020 . 1 . . . . . 109 SER CA . 51087 1 472 . 1 . 1 109 109 SER CB C 13 67.228 0.000 . 1 . . . . . 109 SER CB . 51087 1 473 . 1 . 1 109 109 SER N N 15 117.844 0.170 . 1 . . . . . 109 SER N . 51087 1 474 . 1 . 1 111 111 VAL H H 1 7.417 0.002 . 1 . . . . . 111 VAL H . 51087 1 475 . 1 . 1 111 111 VAL C C 13 178.175 0.006 . 1 . . . . . 111 VAL C . 51087 1 476 . 1 . 1 111 111 VAL CA C 13 66.359 0.018 . 1 . . . . . 111 VAL CA . 51087 1 477 . 1 . 1 111 111 VAL CB C 13 31.109 0.028 . 1 . . . . . 111 VAL CB . 51087 1 478 . 1 . 1 111 111 VAL N N 15 119.580 0.165 . 1 . . . . . 111 VAL N . 51087 1 479 . 1 . 1 112 112 PHE H H 1 7.699 0.001 . 1 . . . . . 112 PHE H . 51087 1 480 . 1 . 1 112 112 PHE C C 13 176.437 0.012 . 1 . . . . . 112 PHE C . 51087 1 481 . 1 . 1 112 112 PHE CA C 13 62.189 0.060 . 1 . . . . . 112 PHE CA . 51087 1 482 . 1 . 1 112 112 PHE CB C 13 37.734 0.077 . 1 . . . . . 112 PHE CB . 51087 1 483 . 1 . 1 112 112 PHE N N 15 120.808 0.004 . 1 . . . . . 112 PHE N . 51087 1 484 . 1 . 1 113 113 LEU H H 1 8.021 0.002 . 1 . . . . . 113 LEU H . 51087 1 485 . 1 . 1 113 113 LEU C C 13 179.810 0.001 . 1 . . . . . 113 LEU C . 51087 1 486 . 1 . 1 113 113 LEU CA C 13 57.714 0.026 . 1 . . . . . 113 LEU CA . 51087 1 487 . 1 . 1 113 113 LEU CB C 13 41.110 0.016 . 1 . . . . . 113 LEU CB . 51087 1 488 . 1 . 1 113 113 LEU N N 15 117.976 0.022 . 1 . . . . . 113 LEU N . 51087 1 489 . 1 . 1 114 114 LEU H H 1 7.747 0.001 . 1 . . . . . 114 LEU H . 51087 1 490 . 1 . 1 114 114 LEU C C 13 179.356 0.007 . 1 . . . . . 114 LEU C . 51087 1 491 . 1 . 1 114 114 LEU CA C 13 57.906 0.120 . 1 . . . . . 114 LEU CA . 51087 1 492 . 1 . 1 114 114 LEU CB C 13 42.690 0.012 . 1 . . . . . 114 LEU CB . 51087 1 493 . 1 . 1 114 114 LEU N N 15 117.964 0.013 . 1 . . . . . 114 LEU N . 51087 1 494 . 1 . 1 115 115 ALA H H 1 8.323 0.002 . 1 . . . . . 115 ALA H . 51087 1 495 . 1 . 1 115 115 ALA C C 13 180.246 0.041 . 1 . . . . . 115 ALA C . 51087 1 496 . 1 . 1 115 115 ALA CA C 13 54.779 0.000 . 1 . . . . . 115 ALA CA . 51087 1 497 . 1 . 1 115 115 ALA CB C 13 19.621 0.000 . 1 . . . . . 115 ALA CB . 51087 1 498 . 1 . 1 115 115 ALA N N 15 121.065 0.104 . 1 . . . . . 115 ALA N . 51087 1 499 . 1 . 1 116 116 SER H H 1 8.518 0.002 . 1 . . . . . 116 SER H . 51087 1 500 . 1 . 1 116 116 SER C C 13 174.630 0.000 . 1 . . . . . 116 SER C . 51087 1 501 . 1 . 1 116 116 SER CA C 13 61.367 0.094 . 1 . . . . . 116 SER CA . 51087 1 502 . 1 . 1 116 116 SER N N 15 115.023 0.111 . 1 . . . . . 116 SER N . 51087 1 503 . 1 . 1 117 117 LEU H H 1 6.926 0.001 . 1 . . . . . 117 LEU H . 51087 1 504 . 1 . 1 117 117 LEU N N 15 121.581 0.026 . 1 . . . . . 117 LEU N . 51087 1 505 . 1 . 1 118 118 GLU H H 1 7.417 0.001 . 1 . . . . . 118 GLU H . 51087 1 506 . 1 . 1 118 118 GLU C C 13 175.330 0.002 . 1 . . . . . 118 GLU C . 51087 1 507 . 1 . 1 118 118 GLU CA C 13 54.996 0.009 . 1 . . . . . 118 GLU CA . 51087 1 508 . 1 . 1 118 118 GLU CB C 13 29.933 0.005 . 1 . . . . . 118 GLU CB . 51087 1 509 . 1 . 1 118 118 GLU N N 15 114.034 0.071 . 1 . . . . . 118 GLU N . 51087 1 510 . 1 . 1 119 119 ASP H H 1 7.381 0.001 . 1 . . . . . 119 ASP H . 51087 1 511 . 1 . 1 119 119 ASP C C 13 177.764 0.014 . 1 . . . . . 119 ASP C . 51087 1 512 . 1 . 1 119 119 ASP CA C 13 53.453 0.011 . 1 . . . . . 119 ASP CA . 51087 1 513 . 1 . 1 119 119 ASP CB C 13 41.757 0.023 . 1 . . . . . 119 ASP CB . 51087 1 514 . 1 . 1 119 119 ASP N N 15 122.040 0.157 . 1 . . . . . 119 ASP N . 51087 1 515 . 1 . 1 120 120 LYS H H 1 8.842 0.001 . 1 . . . . . 120 LYS H . 51087 1 516 . 1 . 1 120 120 LYS C C 13 178.174 0.002 . 1 . . . . . 120 LYS C . 51087 1 517 . 1 . 1 120 120 LYS CA C 13 58.907 0.106 . 1 . . . . . 120 LYS CA . 51087 1 518 . 1 . 1 120 120 LYS CB C 13 31.845 0.028 . 1 . . . . . 120 LYS CB . 51087 1 519 . 1 . 1 120 120 LYS N N 15 128.338 0.068 . 1 . . . . . 120 LYS N . 51087 1 520 . 1 . 1 121 121 SER H H 1 9.156 0.002 . 1 . . . . . 121 SER H . 51087 1 521 . 1 . 1 121 121 SER C C 13 175.853 0.010 . 1 . . . . . 121 SER C . 51087 1 522 . 1 . 1 121 121 SER CA C 13 60.851 0.067 . 1 . . . . . 121 SER CA . 51087 1 523 . 1 . 1 121 121 SER CB C 13 63.690 0.016 . 1 . . . . . 121 SER CB . 51087 1 524 . 1 . 1 121 121 SER N N 15 116.678 0.027 . 1 . . . . . 121 SER N . 51087 1 525 . 1 . 1 122 122 LEU H H 1 7.715 0.002 . 1 . . . . . 122 LEU H . 51087 1 526 . 1 . 1 122 122 LEU C C 13 175.799 0.110 . 1 . . . . . 122 LEU C . 51087 1 527 . 1 . 1 122 122 LEU CA C 13 54.754 0.036 . 1 . . . . . 122 LEU CA . 51087 1 528 . 1 . 1 122 122 LEU CB C 13 38.629 0.001 . 1 . . . . . 122 LEU CB . 51087 1 529 . 1 . 1 122 122 LEU N N 15 121.539 0.201 . 1 . . . . . 122 LEU N . 51087 1 530 . 1 . 1 123 123 THR H H 1 7.621 0.002 . 1 . . . . . 123 THR H . 51087 1 531 . 1 . 1 123 123 THR C C 13 176.386 0.003 . 1 . . . . . 123 THR C . 51087 1 532 . 1 . 1 123 123 THR CA C 13 66.935 0.025 . 1 . . . . . 123 THR CA . 51087 1 533 . 1 . 1 123 123 THR CB C 13 69.299 0.006 . 1 . . . . . 123 THR CB . 51087 1 534 . 1 . 1 123 123 THR N N 15 115.338 0.064 . 1 . . . . . 123 THR N . 51087 1 535 . 1 . 1 124 124 GLY H H 1 8.453 0.001 . 1 . . . . . 124 GLY H . 51087 1 536 . 1 . 1 124 124 GLY C C 13 176.198 0.002 . 1 . . . . . 124 GLY C . 51087 1 537 . 1 . 1 124 124 GLY CA C 13 47.117 0.037 . 1 . . . . . 124 GLY CA . 51087 1 538 . 1 . 1 124 124 GLY N N 15 108.872 0.032 . 1 . . . . . 124 GLY N . 51087 1 539 . 1 . 1 125 125 LEU H H 1 7.695 0.001 . 1 . . . . . 125 LEU H . 51087 1 540 . 1 . 1 125 125 LEU C C 13 178.503 0.001 . 1 . . . . . 125 LEU C . 51087 1 541 . 1 . 1 125 125 LEU CA C 13 58.147 0.069 . 1 . . . . . 125 LEU CA . 51087 1 542 . 1 . 1 125 125 LEU CB C 13 41.408 0.007 . 1 . . . . . 125 LEU CB . 51087 1 543 . 1 . 1 125 125 LEU N N 15 125.747 0.088 . 1 . . . . . 125 LEU N . 51087 1 544 . 1 . 1 126 126 TYR H H 1 8.396 0.001 . 1 . . . . . 126 TYR H . 51087 1 545 . 1 . 1 126 126 TYR N N 15 117.702 0.007 . 1 . . . . . 126 TYR N . 51087 1 546 . 1 . 1 127 127 ASN H H 1 8.686 0.002 . 1 . . . . . 127 ASN H . 51087 1 547 . 1 . 1 127 127 ASN C C 13 178.898 0.011 . 1 . . . . . 127 ASN C . 51087 1 548 . 1 . 1 127 127 ASN CA C 13 56.510 0.026 . 1 . . . . . 127 ASN CA . 51087 1 549 . 1 . 1 127 127 ASN CB C 13 38.497 0.083 . 1 . . . . . 127 ASN CB . 51087 1 550 . 1 . 1 127 127 ASN N N 15 117.967 0.011 . 1 . . . . . 127 ASN N . 51087 1 551 . 1 . 1 128 128 LYS H H 1 8.096 0.009 . 1 . . . . . 128 LYS H . 51087 1 552 . 1 . 1 128 128 LYS C C 13 177.726 0.012 . 1 . . . . . 128 LYS C . 51087 1 553 . 1 . 1 128 128 LYS CA C 13 59.240 0.028 . 1 . . . . . 128 LYS CA . 51087 1 554 . 1 . 1 128 128 LYS CB C 13 32.024 0.026 . 1 . . . . . 128 LYS CB . 51087 1 555 . 1 . 1 128 128 LYS N N 15 121.721 0.159 . 1 . . . . . 128 LYS N . 51087 1 556 . 1 . 1 129 129 PHE H H 1 7.575 0.001 . 1 . . . . . 129 PHE H . 51087 1 557 . 1 . 1 129 129 PHE C C 13 175.146 0.000 . 1 . . . . . 129 PHE C . 51087 1 558 . 1 . 1 129 129 PHE CA C 13 59.177 0.024 . 1 . . . . . 129 PHE CA . 51087 1 559 . 1 . 1 129 129 PHE CB C 13 40.100 0.077 . 1 . . . . . 129 PHE CB . 51087 1 560 . 1 . 1 129 129 PHE N N 15 114.053 0.039 . 1 . . . . . 129 PHE N . 51087 1 561 . 1 . 1 130 130 GLY H H 1 7.823 0.002 . 1 . . . . . 130 GLY H . 51087 1 562 . 1 . 1 130 130 GLY C C 13 174.567 0.001 . 1 . . . . . 130 GLY C . 51087 1 563 . 1 . 1 130 130 GLY CA C 13 46.917 0.033 . 1 . . . . . 130 GLY CA . 51087 1 564 . 1 . 1 130 130 GLY N N 15 109.480 0.095 . 1 . . . . . 130 GLY N . 51087 1 565 . 1 . 1 131 131 ILE H H 1 8.326 0.002 . 1 . . . . . 131 ILE H . 51087 1 566 . 1 . 1 131 131 ILE C C 13 174.118 0.003 . 1 . . . . . 131 ILE C . 51087 1 567 . 1 . 1 131 131 ILE CA C 13 61.793 0.029 . 1 . . . . . 131 ILE CA . 51087 1 568 . 1 . 1 131 131 ILE CB C 13 36.601 0.004 . 1 . . . . . 131 ILE CB . 51087 1 569 . 1 . 1 131 131 ILE N N 15 120.905 0.003 . 1 . . . . . 131 ILE N . 51087 1 570 . 1 . 1 132 132 THR H H 1 6.582 0.001 . 1 . . . . . 132 THR H . 51087 1 571 . 1 . 1 132 132 THR C C 13 174.613 0.004 . 1 . . . . . 132 THR C . 51087 1 572 . 1 . 1 132 132 THR CA C 13 58.641 0.012 . 1 . . . . . 132 THR CA . 51087 1 573 . 1 . 1 132 132 THR CB C 13 71.860 0.009 . 1 . . . . . 132 THR CB . 51087 1 574 . 1 . 1 132 132 THR N N 15 114.095 0.101 . 1 . . . . . 132 THR N . 51087 1 575 . 1 . 1 133 133 LYS H H 1 9.049 0.002 . 1 . . . . . 133 LYS H . 51087 1 576 . 1 . 1 133 133 LYS C C 13 179.517 0.000 . 1 . . . . . 133 LYS C . 51087 1 577 . 1 . 1 133 133 LYS CA C 13 60.122 0.016 . 1 . . . . . 133 LYS CA . 51087 1 578 . 1 . 1 133 133 LYS CB C 13 31.965 0.010 . 1 . . . . . 133 LYS CB . 51087 1 579 . 1 . 1 133 133 LYS N N 15 121.852 0.082 . 1 . . . . . 133 LYS N . 51087 1 580 . 1 . 1 134 134 GLU H H 1 9.215 0.002 . 1 . . . . . 134 GLU H . 51087 1 581 . 1 . 1 134 134 GLU C C 13 178.862 0.008 . 1 . . . . . 134 GLU C . 51087 1 582 . 1 . 1 134 134 GLU CA C 13 60.565 0.064 . 1 . . . . . 134 GLU CA . 51087 1 583 . 1 . 1 134 134 GLU CB C 13 28.898 0.004 . 1 . . . . . 134 GLU CB . 51087 1 584 . 1 . 1 134 134 GLU N N 15 120.763 0.149 . 1 . . . . . 134 GLU N . 51087 1 585 . 1 . 1 135 135 LYS H H 1 7.502 0.001 . 1 . . . . . 135 LYS H . 51087 1 586 . 1 . 1 135 135 LYS C C 13 179.044 0.008 . 1 . . . . . 135 LYS C . 51087 1 587 . 1 . 1 135 135 LYS CA C 13 59.486 0.053 . 1 . . . . . 135 LYS CA . 51087 1 588 . 1 . 1 135 135 LYS CB C 13 33.597 0.020 . 1 . . . . . 135 LYS CB . 51087 1 589 . 1 . 1 135 135 LYS N N 15 118.958 0.192 . 1 . . . . . 135 LYS N . 51087 1 590 . 1 . 1 136 136 LEU H H 1 8.427 0.001 . 1 . . . . . 136 LEU H . 51087 1 591 . 1 . 1 136 136 LEU C C 13 178.174 0.004 . 1 . . . . . 136 LEU C . 51087 1 592 . 1 . 1 136 136 LEU CA C 13 57.999 0.053 . 1 . . . . . 136 LEU CA . 51087 1 593 . 1 . 1 136 136 LEU CB C 13 41.637 0.025 . 1 . . . . . 136 LEU CB . 51087 1 594 . 1 . 1 136 136 LEU N N 15 119.318 0.095 . 1 . . . . . 136 LEU N . 51087 1 595 . 1 . 1 137 137 THR H H 1 8.209 0.002 . 1 . . . . . 137 THR H . 51087 1 596 . 1 . 1 137 137 THR C C 13 175.877 0.000 . 1 . . . . . 137 THR C . 51087 1 597 . 1 . 1 137 137 THR CA C 13 67.661 0.002 . 1 . . . . . 137 THR CA . 51087 1 598 . 1 . 1 137 137 THR CB C 13 68.773 0.044 . 1 . . . . . 137 THR CB . 51087 1 599 . 1 . 1 137 137 THR N N 15 114.074 0.028 . 1 . . . . . 137 THR N . 51087 1 600 . 1 . 1 138 138 LYS H H 1 7.201 0.001 . 1 . . . . . 138 LYS H . 51087 1 601 . 1 . 1 138 138 LYS C C 13 177.588 0.062 . 1 . . . . . 138 LYS C . 51087 1 602 . 1 . 1 138 138 LYS CA C 13 59.572 0.034 . 1 . . . . . 138 LYS CA . 51087 1 603 . 1 . 1 138 138 LYS CB C 13 32.063 0.031 . 1 . . . . . 138 LYS CB . 51087 1 604 . 1 . 1 138 138 LYS N N 15 120.841 0.199 . 1 . . . . . 138 LYS N . 51087 1 605 . 1 . 1 139 139 ALA H H 1 7.616 0.001 . 1 . . . . . 139 ALA H . 51087 1 606 . 1 . 1 139 139 ALA C C 13 181.004 0.008 . 1 . . . . . 139 ALA C . 51087 1 607 . 1 . 1 139 139 ALA CA C 13 55.081 0.065 . 1 . . . . . 139 ALA CA . 51087 1 608 . 1 . 1 139 139 ALA CB C 13 18.708 0.015 . 1 . . . . . 139 ALA CB . 51087 1 609 . 1 . 1 139 139 ALA N N 15 120.923 0.115 . 1 . . . . . 139 ALA N . 51087 1 610 . 1 . 1 140 140 VAL H H 1 8.209 0.002 . 1 . . . . . 140 VAL H . 51087 1 611 . 1 . 1 140 140 VAL C C 13 177.567 0.000 . 1 . . . . . 140 VAL C . 51087 1 612 . 1 . 1 140 140 VAL CA C 13 66.773 0.000 . 1 . . . . . 140 VAL CA . 51087 1 613 . 1 . 1 140 140 VAL CB C 13 31.225 0.000 . 1 . . . . . 140 VAL CB . 51087 1 614 . 1 . 1 140 140 VAL N N 15 120.709 0.005 . 1 . . . . . 140 VAL N . 51087 1 615 . 1 . 1 142 142 ASP C C 13 178.721 0.000 . 1 . . . . . 142 ASP C . 51087 1 616 . 1 . 1 142 142 ASP CA C 13 56.912 0.000 . 1 . . . . . 142 ASP CA . 51087 1 617 . 1 . 1 142 142 ASP CB C 13 40.017 0.000 . 1 . . . . . 142 ASP CB . 51087 1 618 . 1 . 1 143 143 TYR H H 1 8.079 0.001 . 1 . . . . . 143 TYR H . 51087 1 619 . 1 . 1 143 143 TYR C C 13 177.614 0.000 . 1 . . . . . 143 TYR C . 51087 1 620 . 1 . 1 143 143 TYR CA C 13 61.210 0.001 . 1 . . . . . 143 TYR CA . 51087 1 621 . 1 . 1 143 143 TYR CB C 13 38.593 0.005 . 1 . . . . . 143 TYR CB . 51087 1 622 . 1 . 1 143 143 TYR N N 15 122.368 0.012 . 1 . . . . . 143 TYR N . 51087 1 623 . 1 . 1 144 144 ARG H H 1 8.211 0.003 . 1 . . . . . 144 ARG H . 51087 1 624 . 1 . 1 144 144 ARG C C 13 177.724 0.006 . 1 . . . . . 144 ARG C . 51087 1 625 . 1 . 1 144 144 ARG CA C 13 57.826 0.082 . 1 . . . . . 144 ARG CA . 51087 1 626 . 1 . 1 144 144 ARG CB C 13 30.733 0.021 . 1 . . . . . 144 ARG CB . 51087 1 627 . 1 . 1 144 144 ARG N N 15 118.249 0.133 . 1 . . . . . 144 ARG N . 51087 1 628 . 1 . 1 145 145 GLY H H 1 7.831 0.002 . 1 . . . . . 145 GLY H . 51087 1 629 . 1 . 1 145 145 GLY C C 13 174.899 0.000 . 1 . . . . . 145 GLY C . 51087 1 630 . 1 . 1 145 145 GLY CA C 13 45.793 0.000 . 1 . . . . . 145 GLY CA . 51087 1 631 . 1 . 1 145 145 GLY N N 15 106.340 0.174 . 1 . . . . . 145 GLY N . 51087 1 632 . 1 . 1 146 146 GLY H H 1 7.962 0.001 . 1 . . . . . 146 GLY H . 51087 1 633 . 1 . 1 146 146 GLY C C 13 174.216 0.004 . 1 . . . . . 146 GLY C . 51087 1 634 . 1 . 1 146 146 GLY CA C 13 45.264 0.022 . 1 . . . . . 146 GLY CA . 51087 1 635 . 1 . 1 146 146 GLY N N 15 108.363 0.157 . 1 . . . . . 146 GLY N . 51087 1 636 . 1 . 1 147 147 GLU H H 1 8.151 0.001 . 1 . . . . . 147 GLU H . 51087 1 637 . 1 . 1 147 147 GLU C C 13 176.558 0.007 . 1 . . . . . 147 GLU C . 51087 1 638 . 1 . 1 147 147 GLU CA C 13 56.744 0.017 . 1 . . . . . 147 GLU CA . 51087 1 639 . 1 . 1 147 147 GLU CB C 13 30.212 0.030 . 1 . . . . . 147 GLU CB . 51087 1 640 . 1 . 1 147 147 GLU N N 15 120.586 0.041 . 1 . . . . . 147 GLU N . 51087 1 641 . 1 . 1 148 148 LYS H H 1 8.266 0.001 . 1 . . . . . 148 LYS H . 51087 1 642 . 1 . 1 148 148 LYS C C 13 176.550 0.017 . 1 . . . . . 148 LYS C . 51087 1 643 . 1 . 1 148 148 LYS CA C 13 56.383 0.145 . 1 . . . . . 148 LYS CA . 51087 1 644 . 1 . 1 148 148 LYS CB C 13 32.852 0.010 . 1 . . . . . 148 LYS CB . 51087 1 645 . 1 . 1 148 148 LYS N N 15 122.185 0.200 . 1 . . . . . 148 LYS N . 51087 1 646 . 1 . 1 149 149 VAL H H 1 8.099 0.000 . 1 . . . . . 149 VAL H . 51087 1 647 . 1 . 1 149 149 VAL CA C 13 62.492 0.000 . 1 . . . . . 149 VAL CA . 51087 1 648 . 1 . 1 149 149 VAL N N 15 120.976 0.009 . 1 . . . . . 149 VAL N . 51087 1 649 . 1 . 1 151 151 SER C C 13 174.409 0.000 . 1 . . . . . 151 SER C . 51087 1 650 . 1 . 1 151 151 SER CA C 13 58.382 0.000 . 1 . . . . . 151 SER CA . 51087 1 651 . 1 . 1 151 151 SER CB C 13 64.157 0.000 . 1 . . . . . 151 SER CB . 51087 1 652 . 1 . 1 152 152 GLN H H 1 8.322 0.001 . 1 . . . . . 152 GLN H . 51087 1 653 . 1 . 1 152 152 GLN C C 13 175.582 0.005 . 1 . . . . . 152 GLN C . 51087 1 654 . 1 . 1 152 152 GLN CA C 13 56.004 0.003 . 1 . . . . . 152 GLN CA . 51087 1 655 . 1 . 1 152 152 GLN CB C 13 29.310 0.006 . 1 . . . . . 152 GLN CB . 51087 1 656 . 1 . 1 152 152 GLN N N 15 121.734 0.001 . 1 . . . . . 152 GLN N . 51087 1 657 . 1 . 1 153 153 ASN H H 1 8.373 0.001 . 1 . . . . . 153 ASN H . 51087 1 658 . 1 . 1 153 153 ASN C C 13 176.756 0.000 . 1 . . . . . 153 ASN C . 51087 1 659 . 1 . 1 153 153 ASN CA C 13 53.375 0.010 . 1 . . . . . 153 ASN CA . 51087 1 660 . 1 . 1 153 153 ASN CB C 13 39.037 0.010 . 1 . . . . . 153 ASN CB . 51087 1 661 . 1 . 1 153 153 ASN N N 15 119.542 0.003 . 1 . . . . . 153 ASN N . 51087 1 662 . 1 . 1 154 154 GLN H H 1 8.294 0.001 . 1 . . . . . 154 GLN H . 51087 1 663 . 1 . 1 154 154 GLN C C 13 175.570 0.006 . 1 . . . . . 154 GLN C . 51087 1 664 . 1 . 1 154 154 GLN CA C 13 56.053 0.001 . 1 . . . . . 154 GLN CA . 51087 1 665 . 1 . 1 154 154 GLN CB C 13 29.439 0.007 . 1 . . . . . 154 GLN CB . 51087 1 666 . 1 . 1 154 154 GLN N N 15 120.441 0.001 . 1 . . . . . 154 GLN N . 51087 1 667 . 1 . 1 155 155 GLU H H 1 8.368 0.001 . 1 . . . . . 155 GLU H . 51087 1 668 . 1 . 1 155 155 GLU C C 13 175.234 0.000 . 1 . . . . . 155 GLU C . 51087 1 669 . 1 . 1 155 155 GLU CA C 13 56.545 0.000 . 1 . . . . . 155 GLU CA . 51087 1 670 . 1 . 1 155 155 GLU CB C 13 30.545 0.000 . 1 . . . . . 155 GLU CB . 51087 1 671 . 1 . 1 155 155 GLU N N 15 122.337 0.006 . 1 . . . . . 155 GLU N . 51087 1 672 . 1 . 1 156 156 ASP H H 1 7.923 0.001 . 1 . . . . . 156 ASP H . 51087 1 673 . 1 . 1 156 156 ASP C C 13 180.810 0.000 . 1 . . . . . 156 ASP C . 51087 1 674 . 1 . 1 156 156 ASP CA C 13 55.971 0.000 . 1 . . . . . 156 ASP CA . 51087 1 675 . 1 . 1 156 156 ASP CB C 13 42.189 0.000 . 1 . . . . . 156 ASP CB . 51087 1 676 . 1 . 1 156 156 ASP N N 15 126.995 0.123 . 1 . . . . . 156 ASP N . 51087 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 51087 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name 'hnNOE data' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 850 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val . _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details ; hsqcnoef3gpsi NONOE and NOE interleaved ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 10 '1H-15N heteronoe' . . . 51087 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $software_1 . . 51087 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 2 2 ASN N N 15 . 1 1 2 2 ASN H H 1 0.398 0.012 . . . . . . . . . . 51087 1 2 . 1 1 3 3 ILE N N 15 . 1 1 3 3 ILE H H 1 0.643 0.005 . . . . . . . . . . 51087 1 3 . 1 1 4 4 ASN N N 15 . 1 1 4 4 ASN H H 1 0.688 0.008 . . . . . . . . . . 51087 1 4 . 1 1 5 5 LYS N N 15 . 1 1 5 5 LYS H H 1 0.688 0.009 . . . . . . . . . . 51087 1 5 . 1 1 6 6 PHE N N 15 . 1 1 6 6 PHE H H 1 0.643 0.005 . . . . . . . . . . 51087 1 6 . 1 1 7 7 THR N N 15 . 1 1 7 7 THR H H 1 0.847 0.012 . . . . . . . . . . 51087 1 7 . 1 1 8 8 ILE N N 15 . 1 1 8 8 ILE H H 1 0.821 0.014 . . . . . . . . . . 51087 1 8 . 1 1 9 9 LYS N N 15 . 1 1 9 9 LYS H H 1 0.395 0.006 . . . . . . . . . . 51087 1 9 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.861 0.011 . . . . . . . . . . 51087 1 10 . 1 1 11 11 GLN N N 15 . 1 1 11 11 GLN H H 1 0.831 0.011 . . . . . . . . . . 51087 1 11 . 1 1 12 12 GLU N N 15 . 1 1 12 12 GLU H H 1 0.829 0.012 . . . . . . . . . . 51087 1 12 . 1 1 13 13 ALA N N 15 . 1 1 13 13 ALA H H 1 0.859 0.014 . . . . . . . . . . 51087 1 13 . 1 1 14 14 LEU N N 15 . 1 1 14 14 LEU H H 1 0.773 0.007 . . . . . . . . . . 51087 1 14 . 1 1 15 15 ALA N N 15 . 1 1 15 15 ALA H H 1 0.864 0.011 . . . . . . . . . . 51087 1 15 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 0.861 0.011 . . . . . . . . . . 51087 1 16 . 1 1 18 18 GLN N N 15 . 1 1 18 18 GLN H H 1 0.857 0.016 . . . . . . . . . . 51087 1 17 . 1 1 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.845 0.009 . . . . . . . . . . 51087 1 18 . 1 1 20 20 TYR N N 15 . 1 1 20 20 TYR H H 1 0.856 0.013 . . . . . . . . . . 51087 1 19 . 1 1 21 21 ALA N N 15 . 1 1 21 21 ALA H H 1 0.847 0.005 . . . . . . . . . . 51087 1 20 . 1 1 22 22 PHE N N 15 . 1 1 22 22 PHE H H 1 0.848 0.009 . . . . . . . . . . 51087 1 21 . 1 1 23 23 GLN N N 15 . 1 1 23 23 GLN H H 1 0.858 0.009 . . . . . . . . . . 51087 1 22 . 1 1 24 24 GLN N N 15 . 1 1 24 24 GLN H H 1 0.842 0.008 . . . . . . . . . . 51087 1 23 . 1 1 25 25 LYS N N 15 . 1 1 25 25 LYS H H 1 0.743 0.009 . . . . . . . . . . 51087 1 24 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.848 0.009 . . . . . . . . . . 51087 1 25 . 1 1 27 27 THR N N 15 . 1 1 27 27 THR H H 1 0.746 0.008 . . . . . . . . . . 51087 1 26 . 1 1 28 28 GLU N N 15 . 1 1 28 28 GLU H H 1 0.751 0.007 . . . . . . . . . . 51087 1 27 . 1 1 29 29 PHE N N 15 . 1 1 29 29 PHE H H 1 0.739 0.010 . . . . . . . . . . 51087 1 28 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.811 0.026 . . . . . . . . . . 51087 1 29 . 1 1 31 31 SER N N 15 . 1 1 31 31 SER H H 1 0.865 0.021 . . . . . . . . . . 51087 1 30 . 1 1 32 32 ALA N N 15 . 1 1 32 32 ALA H H 1 0.792 0.007 . . . . . . . . . . 51087 1 31 . 1 1 33 33 HIS N N 15 . 1 1 33 33 HIS H H 1 0.841 0.008 . . . . . . . . . . 51087 1 32 . 1 1 34 34 ILE N N 15 . 1 1 34 34 ILE H H 1 0.853 0.009 . . . . . . . . . . 51087 1 33 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.842 0.007 . . . . . . . . . . 51087 1 34 . 1 1 36 36 LYS N N 15 . 1 1 36 36 LYS H H 1 0.840 0.008 . . . . . . . . . . 51087 1 35 . 1 1 37 37 ALA N N 15 . 1 1 37 37 ALA H H 1 0.863 0.009 . . . . . . . . . . 51087 1 36 . 1 1 38 38 LEU N N 15 . 1 1 38 38 LEU H H 1 0.838 0.010 . . . . . . . . . . 51087 1 37 . 1 1 46 46 ALA N N 15 . 1 1 46 46 ALA H H 1 0.812 0.009 . . . . . . . . . . 51087 1 38 . 1 1 51 51 SER N N 15 . 1 1 51 51 SER H H 1 0.861 0.008 . . . . . . . . . . 51087 1 39 . 1 1 52 52 VAL N N 15 . 1 1 52 52 VAL H H 1 0.884 0.053 . . . . . . . . . . 51087 1 40 . 1 1 53 53 CYS N N 15 . 1 1 53 53 CYS H H 1 0.829 0.009 . . . . . . . . . . 51087 1 41 . 1 1 54 54 GLY N N 15 . 1 1 54 54 GLY H H 1 0.803 0.009 . . . . . . . . . . 51087 1 42 . 1 1 55 55 VAL N N 15 . 1 1 55 55 VAL H H 1 0.826 0.011 . . . . . . . . . . 51087 1 43 . 1 1 56 56 ASN N N 15 . 1 1 56 56 ASN H H 1 0.834 0.013 . . . . . . . . . . 51087 1 44 . 1 1 57 57 ILE N N 15 . 1 1 57 57 ILE H H 1 0.839 0.010 . . . . . . . . . . 51087 1 45 . 1 1 58 58 GLN N N 15 . 1 1 58 58 GLN H H 1 0.862 0.010 . . . . . . . . . . 51087 1 46 . 1 1 59 59 ASN N N 15 . 1 1 59 59 ASN H H 1 0.739 0.010 . . . . . . . . . . 51087 1 47 . 1 1 60 60 PHE N N 15 . 1 1 60 60 PHE H H 1 0.854 0.013 . . . . . . . . . . 51087 1 48 . 1 1 61 61 ILE N N 15 . 1 1 61 61 ILE H H 1 0.860 0.012 . . . . . . . . . . 51087 1 49 . 1 1 62 62 LYS N N 15 . 1 1 62 62 LYS H H 1 0.853 0.009 . . . . . . . . . . 51087 1 50 . 1 1 63 63 ALA N N 15 . 1 1 63 63 ALA H H 1 0.832 0.008 . . . . . . . . . . 51087 1 51 . 1 1 64 64 VAL N N 15 . 1 1 64 64 VAL H H 1 0.862 0.007 . . . . . . . . . . 51087 1 52 . 1 1 65 65 ASN N N 15 . 1 1 65 65 ASN H H 1 0.826 0.009 . . . . . . . . . . 51087 1 53 . 1 1 66 66 ASP N N 15 . 1 1 66 66 ASP H H 1 0.836 0.011 . . . . . . . . . . 51087 1 54 . 1 1 67 67 MET N N 15 . 1 1 67 67 MET H H 1 0.841 0.008 . . . . . . . . . . 51087 1 55 . 1 1 68 68 VAL N N 15 . 1 1 68 68 VAL H H 1 0.820 0.009 . . . . . . . . . . 51087 1 56 . 1 1 69 69 ASP N N 15 . 1 1 69 69 ASP H H 1 0.786 0.008 . . . . . . . . . . 51087 1 57 . 1 1 70 70 SER N N 15 . 1 1 70 70 SER H H 1 0.817 0.008 . . . . . . . . . . 51087 1 58 . 1 1 71 71 VAL N N 15 . 1 1 71 71 VAL H H 1 0.775 0.007 . . . . . . . . . . 51087 1 59 . 1 1 72 72 ALA N N 15 . 1 1 72 72 ALA H H 1 0.752 0.008 . . . . . . . . . . 51087 1 60 . 1 1 73 73 VAL N N 15 . 1 1 73 73 VAL H H 1 0.739 0.007 . . . . . . . . . . 51087 1 61 . 1 1 74 74 LEU N N 15 . 1 1 74 74 LEU H H 1 0.713 0.008 . . . . . . . . . . 51087 1 62 . 1 1 75 75 SER N N 15 . 1 1 75 75 SER H H 1 0.457 0.006 . . . . . . . . . . 51087 1 63 . 1 1 76 76 GLY N N 15 . 1 1 76 76 GLY H H 1 0.280 0.009 . . . . . . . . . . 51087 1 64 . 1 1 77 77 GLU N N 15 . 1 1 77 77 GLU H H 1 0.480 0.005 . . . . . . . . . . 51087 1 65 . 1 1 78 78 GLY N N 15 . 1 1 78 78 GLY H H 1 0.374 0.005 . . . . . . . . . . 51087 1 66 . 1 1 81 81 GLN N N 15 . 1 1 81 81 GLN H H 1 0.534 0.004 . . . . . . . . . . 51087 1 67 . 1 1 82 82 VAL N N 15 . 1 1 82 82 VAL H H 1 0.606 0.005 . . . . . . . . . . 51087 1 68 . 1 1 83 83 THR N N 15 . 1 1 83 83 THR H H 1 0.716 0.008 . . . . . . . . . . 51087 1 69 . 1 1 85 85 SER N N 15 . 1 1 85 85 SER H H 1 0.862 0.007 . . . . . . . . . . 51087 1 70 . 1 1 86 86 ARG N N 15 . 1 1 86 86 ARG H H 1 0.852 0.010 . . . . . . . . . . 51087 1 71 . 1 1 87 87 ASP N N 15 . 1 1 87 87 ASP H H 1 0.851 0.008 . . . . . . . . . . 51087 1 72 . 1 1 88 88 LEU N N 15 . 1 1 88 88 LEU H H 1 0.844 0.012 . . . . . . . . . . 51087 1 73 . 1 1 89 89 ILE N N 15 . 1 1 89 89 ILE H H 1 0.850 0.012 . . . . . . . . . . 51087 1 74 . 1 1 90 90 ALA N N 15 . 1 1 90 90 ALA H H 1 0.855 0.009 . . . . . . . . . . 51087 1 75 . 1 1 91 91 THR N N 15 . 1 1 91 91 THR H H 1 0.850 0.010 . . . . . . . . . . 51087 1 76 . 1 1 92 92 LEU N N 15 . 1 1 92 92 LEU H H 1 0.884 0.012 . . . . . . . . . . 51087 1 77 . 1 1 93 93 HIS N N 15 . 1 1 93 93 HIS H H 1 0.828 0.008 . . . . . . . . . . 51087 1 78 . 1 1 94 94 LYS N N 15 . 1 1 94 94 LYS H H 1 0.798 0.009 . . . . . . . . . . 51087 1 79 . 1 1 95 95 MET N N 15 . 1 1 95 95 MET H H 1 0.842 0.013 . . . . . . . . . . 51087 1 80 . 1 1 96 96 GLN N N 15 . 1 1 96 96 GLN H H 1 0.837 0.010 . . . . . . . . . . 51087 1 81 . 1 1 99 99 ALA N N 15 . 1 1 99 99 ALA H H 1 0.795 0.010 . . . . . . . . . . 51087 1 82 . 1 1 100 100 ASN N N 15 . 1 1 100 100 ASN H H 1 0.797 0.008 . . . . . . . . . . 51087 1 83 . 1 1 101 101 LYS N N 15 . 1 1 101 101 LYS H H 1 0.767 0.007 . . . . . . . . . . 51087 1 84 . 1 1 102 102 ASN N N 15 . 1 1 102 102 ASN H H 1 0.782 0.007 . . . . . . . . . . 51087 1 85 . 1 1 103 103 GLY N N 15 . 1 1 103 103 GLY H H 1 0.767 0.009 . . . . . . . . . . 51087 1 86 . 1 1 104 104 ASP N N 15 . 1 1 104 104 ASP H H 1 0.806 0.004 . . . . . . . . . . 51087 1 87 . 1 1 105 105 GLU N N 15 . 1 1 105 105 GLU H H 1 0.792 0.007 . . . . . . . . . . 51087 1 88 . 1 1 106 106 PHE N N 15 . 1 1 106 106 PHE H H 1 0.683 0.009 . . . . . . . . . . 51087 1 89 . 1 1 107 107 ILE N N 15 . 1 1 107 107 ILE H H 1 0.797 0.015 . . . . . . . . . . 51087 1 90 . 1 1 108 108 SER N N 15 . 1 1 108 108 SER H H 1 0.820 0.015 . . . . . . . . . . 51087 1 91 . 1 1 109 109 SER N N 15 . 1 1 109 109 SER H H 1 0.824 0.037 . . . . . . . . . . 51087 1 92 . 1 1 111 111 VAL N N 15 . 1 1 111 111 VAL H H 1 0.844 0.014 . . . . . . . . . . 51087 1 93 . 1 1 112 112 PHE N N 15 . 1 1 112 112 PHE H H 1 0.876 0.015 . . . . . . . . . . 51087 1 94 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.851 0.008 . . . . . . . . . . 51087 1 95 . 1 1 114 114 LEU N N 15 . 1 1 114 114 LEU H H 1 0.836 0.010 . . . . . . . . . . 51087 1 96 . 1 1 115 115 ALA N N 15 . 1 1 115 115 ALA H H 1 0.831 0.008 . . . . . . . . . . 51087 1 97 . 1 1 116 116 SER N N 15 . 1 1 116 116 SER H H 1 0.864 0.012 . . . . . . . . . . 51087 1 98 . 1 1 117 117 LEU N N 15 . 1 1 117 117 LEU H H 1 0.862 0.009 . . . . . . . . . . 51087 1 99 . 1 1 118 118 GLU N N 15 . 1 1 118 118 GLU H H 1 0.806 0.010 . . . . . . . . . . 51087 1 100 . 1 1 119 119 ASP N N 15 . 1 1 119 119 ASP H H 1 0.837 0.011 . . . . . . . . . . 51087 1 101 . 1 1 120 120 LYS N N 15 . 1 1 120 120 LYS H H 1 0.807 0.010 . . . . . . . . . . 51087 1 102 . 1 1 121 121 SER N N 15 . 1 1 121 121 SER H H 1 0.855 0.010 . . . . . . . . . . 51087 1 103 . 1 1 122 122 LEU N N 15 . 1 1 122 122 LEU H H 1 0.838 0.011 . . . . . . . . . . 51087 1 104 . 1 1 123 123 THR N N 15 . 1 1 123 123 THR H H 1 0.837 0.007 . . . . . . . . . . 51087 1 105 . 1 1 124 124 GLY N N 15 . 1 1 124 124 GLY H H 1 0.809 0.020 . . . . . . . . . . 51087 1 106 . 1 1 125 125 LEU N N 15 . 1 1 125 125 LEU H H 1 0.836 0.009 . . . . . . . . . . 51087 1 107 . 1 1 126 126 TYR N N 15 . 1 1 126 126 TYR H H 1 0.834 0.014 . . . . . . . . . . 51087 1 108 . 1 1 127 127 ASN N N 15 . 1 1 127 127 ASN H H 1 0.820 0.008 . . . . . . . . . . 51087 1 109 . 1 1 128 128 LYS N N 15 . 1 1 128 128 LYS H H 1 0.833 0.007 . . . . . . . . . . 51087 1 110 . 1 1 129 129 PHE N N 15 . 1 1 129 129 PHE H H 1 0.830 0.011 . . . . . . . . . . 51087 1 111 . 1 1 130 130 GLY N N 15 . 1 1 130 130 GLY H H 1 0.833 0.009 . . . . . . . . . . 51087 1 112 . 1 1 131 131 ILE N N 15 . 1 1 131 131 ILE H H 1 0.669 0.007 . . . . . . . . . . 51087 1 113 . 1 1 132 132 THR N N 15 . 1 1 132 132 THR H H 1 0.783 0.009 . . . . . . . . . . 51087 1 114 . 1 1 133 133 LYS N N 15 . 1 1 133 133 LYS H H 1 0.826 0.017 . . . . . . . . . . 51087 1 115 . 1 1 134 134 GLU N N 15 . 1 1 134 134 GLU H H 1 0.857 0.015 . . . . . . . . . . 51087 1 116 . 1 1 135 135 LYS N N 15 . 1 1 135 135 LYS H H 1 0.842 0.009 . . . . . . . . . . 51087 1 117 . 1 1 136 136 LEU N N 15 . 1 1 136 136 LEU H H 1 0.756 0.009 . . . . . . . . . . 51087 1 118 . 1 1 137 137 THR N N 15 . 1 1 137 137 THR H H 1 0.855 0.010 . . . . . . . . . . 51087 1 119 . 1 1 138 138 LYS N N 15 . 1 1 138 138 LYS H H 1 0.837 0.009 . . . . . . . . . . 51087 1 120 . 1 1 139 139 ALA N N 15 . 1 1 139 139 ALA H H 1 0.850 0.009 . . . . . . . . . . 51087 1 121 . 1 1 140 140 VAL N N 15 . 1 1 140 140 VAL H H 1 0.788 0.010 . . . . . . . . . . 51087 1 122 . 1 1 143 143 TYR N N 15 . 1 1 143 143 TYR H H 1 0.808 0.010 . . . . . . . . . . 51087 1 123 . 1 1 144 144 ARG N N 15 . 1 1 144 144 ARG H H 1 0.840 0.006 . . . . . . . . . . 51087 1 124 . 1 1 145 145 GLY N N 15 . 1 1 145 145 GLY H H 1 0.736 0.004 . . . . . . . . . . 51087 1 125 . 1 1 146 146 GLY N N 15 . 1 1 146 146 GLY H H 1 0.604 0.006 . . . . . . . . . . 51087 1 126 . 1 1 147 147 GLU N N 15 . 1 1 147 147 GLU H H 1 0.469 0.004 . . . . . . . . . . 51087 1 127 . 1 1 148 148 LYS N N 15 . 1 1 148 148 LYS H H 1 0.375 0.004 . . . . . . . . . . 51087 1 128 . 1 1 149 149 VAL N N 15 . 1 1 149 149 VAL H H 1 0.226 0.003 . . . . . . . . . . 51087 1 129 . 1 1 152 152 GLN N N 15 . 1 1 152 152 GLN H H 1 0.066 0.006 . . . . . . . . . . 51087 1 130 . 1 1 153 153 ASN N N 15 . 1 1 153 153 ASN H H 1 0.096 0.003 . . . . . . . . . . 51087 1 131 . 1 1 155 155 GLU N N 15 . 1 1 155 155 GLU H H 1 -0.562 -0.003 . . . . . . . . . . 51087 1 132 . 1 1 156 156 ASP N N 15 . 1 1 156 156 ASP H H 1 -0.910 -0.003 . . . . . . . . . . 51087 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Entry_ID 51087 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name 'T1 data' _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 850 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details hsqct1etf3gpsi3d _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 8 'T1/R1 relaxation' . . . 51087 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $software_1 . . 51087 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 ASN N N 15 0.829 0.097 . . . . . 51087 1 2 . 1 1 3 3 ILE N N 15 0.888 0.022 . . . . . 51087 1 3 . 1 1 4 4 ASN N N 15 0.794 0.043 . . . . . 51087 1 4 . 1 1 5 5 LYS N N 15 0.830 0.031 . . . . . 51087 1 5 . 1 1 6 6 PHE N N 15 0.888 0.023 . . . . . 51087 1 6 . 1 1 7 7 THR N N 15 0.930 0.030 . . . . . 51087 1 7 . 1 1 8 8 ILE N N 15 0.966 0.031 . . . . . 51087 1 8 . 1 1 9 9 LYS N N 15 0.835 0.084 . . . . . 51087 1 9 . 1 1 10 10 LEU N N 15 0.938 0.028 . . . . . 51087 1 10 . 1 1 11 11 GLN N N 15 1.050 0.025 . . . . . 51087 1 11 . 1 1 12 12 GLU N N 15 1.031 0.009 . . . . . 51087 1 12 . 1 1 13 13 ALA N N 15 0.959 0.010 . . . . . 51087 1 13 . 1 1 14 14 LEU N N 15 0.985 0.026 . . . . . 51087 1 14 . 1 1 15 15 ALA N N 15 0.940 0.011 . . . . . 51087 1 15 . 1 1 17 17 ALA N N 15 0.978 0.010 . . . . . 51087 1 16 . 1 1 18 18 GLN N N 15 1.053 0.012 . . . . . 51087 1 17 . 1 1 19 19 SER N N 15 1.036 0.012 . . . . . 51087 1 18 . 1 1 20 20 TYR N N 15 0.993 0.022 . . . . . 51087 1 19 . 1 1 21 21 ALA N N 15 1.010 0.021 . . . . . 51087 1 20 . 1 1 22 22 PHE N N 15 0.926 0.013 . . . . . 51087 1 21 . 1 1 23 23 GLN N N 15 0.991 0.016 . . . . . 51087 1 22 . 1 1 24 24 GLN N N 15 0.968 0.013 . . . . . 51087 1 23 . 1 1 25 25 LYS N N 15 0.946 0.028 . . . . . 51087 1 24 . 1 1 26 26 ALA N N 15 0.854 0.009 . . . . . 51087 1 25 . 1 1 27 27 THR N N 15 0.882 0.037 . . . . . 51087 1 26 . 1 1 28 28 GLU N N 15 0.823 0.010 . . . . . 51087 1 27 . 1 1 29 29 PHE N N 15 0.912 0.020 . . . . . 51087 1 28 . 1 1 30 30 THR N N 15 0.903 0.032 . . . . . 51087 1 29 . 1 1 31 31 SER N N 15 0.926 0.043 . . . . . 51087 1 30 . 1 1 32 32 ALA N N 15 0.951 0.040 . . . . . 51087 1 31 . 1 1 33 33 HIS N N 15 0.876 0.023 . . . . . 51087 1 32 . 1 1 34 34 ILE N N 15 0.921 0.022 . . . . . 51087 1 33 . 1 1 35 35 LEU N N 15 0.877 0.007 . . . . . 51087 1 34 . 1 1 36 36 LYS N N 15 0.938 0.015 . . . . . 51087 1 35 . 1 1 37 37 ALA N N 15 0.831 0.011 . . . . . 51087 1 36 . 1 1 38 38 LEU N N 15 0.929 0.013 . . . . . 51087 1 37 . 1 1 46 46 ALA N N 15 0.912 0.035 . . . . . 51087 1 38 . 1 1 51 51 SER N N 15 0.863 0.019 . . . . . 51087 1 39 . 1 1 52 52 VAL N N 15 0.895 0.026 . . . . . 51087 1 40 . 1 1 53 53 CYS N N 15 0.964 0.043 . . . . . 51087 1 41 . 1 1 54 54 GLY N N 15 0.889 0.044 . . . . . 51087 1 42 . 1 1 55 55 VAL N N 15 0.999 0.023 . . . . . 51087 1 43 . 1 1 56 56 ASN N N 15 0.861 0.061 . . . . . 51087 1 44 . 1 1 57 57 ILE N N 15 0.929 0.024 . . . . . 51087 1 45 . 1 1 58 58 GLN N N 15 0.982 0.030 . . . . . 51087 1 46 . 1 1 59 59 ASN N N 15 0.912 0.020 . . . . . 51087 1 47 . 1 1 60 60 PHE N N 15 0.979 0.026 . . . . . 51087 1 48 . 1 1 61 61 ILE N N 15 0.974 0.018 . . . . . 51087 1 49 . 1 1 62 62 LYS N N 15 0.904 0.014 . . . . . 51087 1 50 . 1 1 63 63 ALA N N 15 0.888 0.013 . . . . . 51087 1 51 . 1 1 64 64 VAL N N 15 0.928 0.019 . . . . . 51087 1 52 . 1 1 65 65 ASN N N 15 0.903 0.012 . . . . . 51087 1 53 . 1 1 66 66 ASP N N 15 0.919 0.015 . . . . . 51087 1 54 . 1 1 67 67 MET N N 15 1.039 0.021 . . . . . 51087 1 55 . 1 1 68 68 VAL N N 15 0.913 0.010 . . . . . 51087 1 56 . 1 1 69 69 ASP N N 15 0.946 0.020 . . . . . 51087 1 57 . 1 1 70 70 SER N N 15 1.067 0.039 . . . . . 51087 1 58 . 1 1 71 71 VAL N N 15 0.893 0.021 . . . . . 51087 1 59 . 1 1 72 72 ALA N N 15 0.898 0.012 . . . . . 51087 1 60 . 1 1 73 73 VAL N N 15 0.943 0.015 . . . . . 51087 1 61 . 1 1 74 74 LEU N N 15 0.909 0.016 . . . . . 51087 1 62 . 1 1 75 75 SER N N 15 0.868 0.073 . . . . . 51087 1 63 . 1 1 76 76 GLY N N 15 0.887 0.097 . . . . . 51087 1 64 . 1 1 77 77 GLU N N 15 0.848 0.070 . . . . . 51087 1 65 . 1 1 78 78 GLY N N 15 0.802 0.078 . . . . . 51087 1 66 . 1 1 81 81 GLN N N 15 0.777 0.023 . . . . . 51087 1 67 . 1 1 82 82 VAL N N 15 0.764 0.015 . . . . . 51087 1 68 . 1 1 83 83 THR N N 15 0.853 0.017 . . . . . 51087 1 69 . 1 1 85 85 SER N N 15 0.928 0.019 . . . . . 51087 1 70 . 1 1 86 86 ARG N N 15 0.967 0.049 . . . . . 51087 1 71 . 1 1 87 87 ASP N N 15 0.942 0.054 . . . . . 51087 1 72 . 1 1 88 88 LEU N N 15 0.984 0.047 . . . . . 51087 1 73 . 1 1 89 89 ILE N N 15 0.981 0.038 . . . . . 51087 1 74 . 1 1 90 90 ALA N N 15 0.946 0.018 . . . . . 51087 1 75 . 1 1 91 91 THR N N 15 0.997 0.031 . . . . . 51087 1 76 . 1 1 92 92 LEU N N 15 0.981 0.028 . . . . . 51087 1 77 . 1 1 93 93 HIS N N 15 1.007 0.028 . . . . . 51087 1 78 . 1 1 95 95 MET N N 15 0.961 0.012 . . . . . 51087 1 79 . 1 1 96 96 GLN N N 15 0.987 0.023 . . . . . 51087 1 80 . 1 1 99 99 ALA N N 15 1.009 0.015 . . . . . 51087 1 81 . 1 1 100 100 ASN N N 15 0.996 0.016 . . . . . 51087 1 82 . 1 1 101 101 LYS N N 15 1.027 0.044 . . . . . 51087 1 83 . 1 1 102 102 ASN N N 15 0.998 0.032 . . . . . 51087 1 84 . 1 1 103 103 GLY N N 15 0.942 0.041 . . . . . 51087 1 85 . 1 1 104 104 ASP N N 15 0.897 0.031 . . . . . 51087 1 86 . 1 1 105 105 GLU N N 15 0.951 0.040 . . . . . 51087 1 87 . 1 1 106 106 PHE N N 15 0.977 0.024 . . . . . 51087 1 88 . 1 1 107 107 ILE N N 15 1.043 0.028 . . . . . 51087 1 89 . 1 1 108 108 SER N N 15 0.874 0.032 . . . . . 51087 1 90 . 1 1 109 109 SER N N 15 0.821 0.055 . . . . . 51087 1 91 . 1 1 111 111 VAL N N 15 0.854 0.019 . . . . . 51087 1 92 . 1 1 112 112 PHE N N 15 0.861 0.013 . . . . . 51087 1 93 . 1 1 113 113 LEU N N 15 0.846 0.015 . . . . . 51087 1 94 . 1 1 114 114 LEU N N 15 0.859 0.014 . . . . . 51087 1 95 . 1 1 115 115 ALA N N 15 0.833 0.006 . . . . . 51087 1 96 . 1 1 116 116 SER N N 15 0.922 0.014 . . . . . 51087 1 97 . 1 1 117 117 LEU N N 15 0.814 0.010 . . . . . 51087 1 98 . 1 1 118 118 GLU N N 15 0.923 0.016 . . . . . 51087 1 99 . 1 1 119 119 ASP N N 15 0.980 0.038 . . . . . 51087 1 100 . 1 1 120 120 LYS N N 15 0.839 0.030 . . . . . 51087 1 101 . 1 1 121 121 SER N N 15 0.888 0.060 . . . . . 51087 1 102 . 1 1 122 122 LEU N N 15 0.806 0.022 . . . . . 51087 1 103 . 1 1 123 123 THR N N 15 0.945 0.044 . . . . . 51087 1 104 . 1 1 124 124 GLY N N 15 0.889 0.095 . . . . . 51087 1 105 . 1 1 125 125 LEU N N 15 0.865 0.021 . . . . . 51087 1 106 . 1 1 126 126 TYR N N 15 0.928 0.021 . . . . . 51087 1 107 . 1 1 127 127 ASN N N 15 0.960 0.023 . . . . . 51087 1 108 . 1 1 128 128 LYS N N 15 0.954 0.019 . . . . . 51087 1 109 . 1 1 129 129 PHE N N 15 0.997 0.016 . . . . . 51087 1 110 . 1 1 130 130 GLY N N 15 1.015 0.037 . . . . . 51087 1 111 . 1 1 131 131 ILE N N 15 0.964 0.028 . . . . . 51087 1 112 . 1 1 132 132 THR N N 15 1.122 0.049 . . . . . 51087 1 113 . 1 1 133 133 LYS N N 15 0.899 0.092 . . . . . 51087 1 114 . 1 1 134 134 GLU N N 15 0.939 0.099 . . . . . 51087 1 115 . 1 1 135 135 LYS N N 15 0.972 0.049 . . . . . 51087 1 116 . 1 1 136 136 LEU N N 15 0.900 0.035 . . . . . 51087 1 117 . 1 1 137 137 THR N N 15 0.894 0.047 . . . . . 51087 1 118 . 1 1 138 138 LYS N N 15 0.890 0.016 . . . . . 51087 1 119 . 1 1 139 139 ALA N N 15 1.042 0.018 . . . . . 51087 1 120 . 1 1 140 140 VAL N N 15 0.947 0.015 . . . . . 51087 1 121 . 1 1 143 143 TYR N N 15 0.923 0.016 . . . . . 51087 1 122 . 1 1 144 144 ARG N N 15 0.896 0.028 . . . . . 51087 1 123 . 1 1 145 145 GLY N N 15 0.876 0.020 . . . . . 51087 1 124 . 1 1 146 146 GLY N N 15 0.737 0.047 . . . . . 51087 1 125 . 1 1 147 147 GLU N N 15 0.781 0.064 . . . . . 51087 1 126 . 1 1 148 148 LYS N N 15 0.747 0.050 . . . . . 51087 1 127 . 1 1 149 149 VAL N N 15 0.787 0.053 . . . . . 51087 1 128 . 1 1 152 152 GLN N N 15 0.746 0.076 . . . . . 51087 1 129 . 1 1 153 153 ASN N N 15 0.832 0.098 . . . . . 51087 1 130 . 1 1 155 155 GLU N N 15 0.843 0.060 . . . . . 51087 1 131 . 1 1 156 156 ASP N N 15 1.101 0.015 . . . . . 51087 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Entry_ID 51087 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name 'T2 data' _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 850 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details hsqct2etf3gpsi3d _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 9 'T2/R2 relaxation' . . . 51087 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $software_1 . . 51087 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 ASN N N 15 0.161 0.017 . . . . . . . 51087 1 2 . 1 1 3 3 ILE N N 15 0.094 0.003 . . . . . . . 51087 1 3 . 1 1 4 4 ASN N N 15 0.073 0.003 . . . . . . . 51087 1 4 . 1 1 5 5 LYS N N 15 0.071 0.003 . . . . . . . 51087 1 5 . 1 1 6 6 PHE N N 15 0.094 0.003 . . . . . . . 51087 1 6 . 1 1 7 7 THR N N 15 0.080 0.001 . . . . . . . 51087 1 7 . 1 1 8 8 ILE N N 15 0.076 0.002 . . . . . . . 51087 1 8 . 1 1 9 9 LYS N N 15 0.139 0.012 . . . . . . . 51087 1 9 . 1 1 10 10 LEU N N 15 0.074 0.004 . . . . . . . 51087 1 10 . 1 1 11 11 GLN N N 15 0.063 0.001 . . . . . . . 51087 1 11 . 1 1 12 12 GLU N N 15 0.057 0.001 . . . . . . . 51087 1 12 . 1 1 13 13 ALA N N 15 0.063 0.000 . . . . . . . 51087 1 13 . 1 1 14 14 LEU N N 15 0.064 0.001 . . . . . . . 51087 1 14 . 1 1 15 15 ALA N N 15 0.067 0.001 . . . . . . . 51087 1 15 . 1 1 17 17 ALA N N 15 0.071 0.000 . . . . . . . 51087 1 16 . 1 1 18 18 GLN N N 15 0.065 0.002 . . . . . . . 51087 1 17 . 1 1 19 19 SER N N 15 0.072 0.002 . . . . . . . 51087 1 18 . 1 1 20 20 TYR N N 15 0.065 0.001 . . . . . . . 51087 1 19 . 1 1 21 21 ALA N N 15 0.068 0.001 . . . . . . . 51087 1 20 . 1 1 22 22 PHE N N 15 0.056 0.001 . . . . . . . 51087 1 21 . 1 1 23 23 GLN N N 15 0.066 0.001 . . . . . . . 51087 1 22 . 1 1 24 24 GLN N N 15 0.057 0.001 . . . . . . . 51087 1 23 . 1 1 25 25 LYS N N 15 0.074 0.004 . . . . . . . 51087 1 24 . 1 1 26 26 ALA N N 15 0.065 0.001 . . . . . . . 51087 1 25 . 1 1 27 27 THR N N 15 0.090 0.002 . . . . . . . 51087 1 26 . 1 1 28 28 GLU N N 15 0.076 0.001 . . . . . . . 51087 1 27 . 1 1 29 29 PHE N N 15 0.061 0.001 . . . . . . . 51087 1 28 . 1 1 30 30 THR N N 15 0.062 0.002 . . . . . . . 51087 1 29 . 1 1 31 31 SER N N 15 0.063 0.002 . . . . . . . 51087 1 30 . 1 1 32 32 ALA N N 15 0.084 0.003 . . . . . . . 51087 1 31 . 1 1 33 33 HIS N N 15 0.078 0.002 . . . . . . . 51087 1 32 . 1 1 34 34 ILE N N 15 0.063 0.001 . . . . . . . 51087 1 33 . 1 1 35 35 LEU N N 15 0.073 0.001 . . . . . . . 51087 1 34 . 1 1 36 36 LYS N N 15 0.057 0.001 . . . . . . . 51087 1 35 . 1 1 37 37 ALA N N 15 0.056 0.001 . . . . . . . 51087 1 36 . 1 1 38 38 LEU N N 15 0.060 0.001 . . . . . . . 51087 1 37 . 1 1 46 46 ALA N N 15 0.082 0.004 . . . . . . . 51087 1 38 . 1 1 51 51 SER N N 15 0.081 0.002 . . . . . . . 51087 1 39 . 1 1 52 52 VAL N N 15 0.063 0.002 . . . . . . . 51087 1 40 . 1 1 53 53 CYS N N 15 0.077 0.002 . . . . . . . 51087 1 41 . 1 1 54 54 GLY N N 15 0.082 0.003 . . . . . . . 51087 1 42 . 1 1 55 55 VAL N N 15 0.059 0.002 . . . . . . . 51087 1 43 . 1 1 56 56 ASN N N 15 0.078 0.004 . . . . . . . 51087 1 44 . 1 1 57 57 ILE N N 15 0.062 0.001 . . . . . . . 51087 1 45 . 1 1 58 58 GLN N N 15 0.059 0.001 . . . . . . . 51087 1 46 . 1 1 59 59 ASN N N 15 0.061 0.001 . . . . . . . 51087 1 47 . 1 1 60 60 PHE N N 15 0.067 0.001 . . . . . . . 51087 1 48 . 1 1 61 61 ILE N N 15 0.057 0.001 . . . . . . . 51087 1 49 . 1 1 62 62 LYS N N 15 0.058 0.000 . . . . . . . 51087 1 50 . 1 1 63 63 ALA N N 15 0.070 0.001 . . . . . . . 51087 1 51 . 1 1 64 64 VAL N N 15 0.062 0.001 . . . . . . . 51087 1 52 . 1 1 65 65 ASN N N 15 0.064 0.001 . . . . . . . 51087 1 53 . 1 1 66 66 ASP N N 15 0.076 0.001 . . . . . . . 51087 1 54 . 1 1 67 67 MET N N 15 0.066 0.001 . . . . . . . 51087 1 55 . 1 1 68 68 VAL N N 15 0.076 0.001 . . . . . . . 51087 1 56 . 1 1 69 69 ASP N N 15 0.059 0.001 . . . . . . . 51087 1 57 . 1 1 70 70 SER N N 15 0.081 0.002 . . . . . . . 51087 1 58 . 1 1 71 71 VAL N N 15 0.064 0.001 . . . . . . . 51087 1 59 . 1 1 72 72 ALA N N 15 0.084 0.001 . . . . . . . 51087 1 60 . 1 1 73 73 VAL N N 15 0.069 0.001 . . . . . . . 51087 1 61 . 1 1 74 74 LEU N N 15 0.083 0.001 . . . . . . . 51087 1 62 . 1 1 75 75 SER N N 15 0.135 0.010 . . . . . . . 51087 1 63 . 1 1 76 76 GLY N N 15 0.214 0.028 . . . . . . . 51087 1 64 . 1 1 77 77 GLU N N 15 0.145 0.013 . . . . . . . 51087 1 65 . 1 1 78 78 GLY N N 15 0.178 0.018 . . . . . . . 51087 1 66 . 1 1 81 81 GLN N N 15 0.101 0.003 . . . . . . . 51087 1 67 . 1 1 82 82 VAL N N 15 0.129 0.003 . . . . . . . 51087 1 68 . 1 1 83 83 THR N N 15 0.084 0.001 . . . . . . . 51087 1 69 . 1 1 85 85 SER N N 15 0.062 0.001 . . . . . . . 51087 1 70 . 1 1 86 86 ARG N N 15 0.076 0.002 . . . . . . . 51087 1 71 . 1 1 87 87 ASP N N 15 0.061 0.002 . . . . . . . 51087 1 72 . 1 1 88 88 LEU N N 15 0.068 0.002 . . . . . . . 51087 1 73 . 1 1 89 89 ILE N N 15 0.070 0.002 . . . . . . . 51087 1 74 . 1 1 90 90 ALA N N 15 0.066 0.002 . . . . . . . 51087 1 75 . 1 1 91 91 THR N N 15 0.072 0.002 . . . . . . . 51087 1 76 . 1 1 92 92 LEU N N 15 0.071 0.001 . . . . . . . 51087 1 77 . 1 1 93 93 HIS N N 15 0.060 0.001 . . . . . . . 51087 1 78 . 1 1 95 95 MET N N 15 0.056 0.001 . . . . . . . 51087 1 79 . 1 1 96 96 GLN N N 15 0.056 0.001 . . . . . . . 51087 1 80 . 1 1 99 99 ALA N N 15 0.076 0.001 . . . . . . . 51087 1 81 . 1 1 100 100 ASN N N 15 0.071 0.001 . . . . . . . 51087 1 82 . 1 1 101 101 LYS N N 15 0.071 0.001 . . . . . . . 51087 1 83 . 1 1 102 102 ASN N N 15 0.072 0.002 . . . . . . . 51087 1 84 . 1 1 103 103 GLY N N 15 0.076 0.002 . . . . . . . 51087 1 85 . 1 1 104 104 ASP N N 15 0.079 0.003 . . . . . . . 51087 1 86 . 1 1 105 105 GLU N N 15 0.084 0.003 . . . . . . . 51087 1 87 . 1 1 106 106 PHE N N 15 0.082 0.002 . . . . . . . 51087 1 88 . 1 1 107 107 ILE N N 15 0.086 0.001 . . . . . . . 51087 1 89 . 1 1 108 108 SER N N 15 0.078 0.002 . . . . . . . 51087 1 90 . 1 1 109 109 SER N N 15 0.058 0.003 . . . . . . . 51087 1 91 . 1 1 111 111 VAL N N 15 0.067 0.001 . . . . . . . 51087 1 92 . 1 1 112 112 PHE N N 15 0.079 0.003 . . . . . . . 51087 1 93 . 1 1 113 113 LEU N N 15 0.061 0.001 . . . . . . . 51087 1 94 . 1 1 114 114 LEU N N 15 0.062 0.001 . . . . . . . 51087 1 95 . 1 1 115 115 ALA N N 15 0.078 0.002 . . . . . . . 51087 1 96 . 1 1 116 116 SER N N 15 0.077 0.002 . . . . . . . 51087 1 97 . 1 1 117 117 LEU N N 15 0.065 0.000 . . . . . . . 51087 1 98 . 1 1 118 118 GLU N N 15 0.090 0.001 . . . . . . . 51087 1 99 . 1 1 119 119 ASP N N 15 0.075 0.002 . . . . . . . 51087 1 100 . 1 1 120 120 LYS N N 15 0.081 0.003 . . . . . . . 51087 1 101 . 1 1 121 121 SER N N 15 0.069 0.003 . . . . . . . 51087 1 102 . 1 1 122 122 LEU N N 15 0.082 0.002 . . . . . . . 51087 1 103 . 1 1 123 123 THR N N 15 0.083 0.004 . . . . . . . 51087 1 104 . 1 1 124 124 GLY N N 15 0.081 0.005 . . . . . . . 51087 1 105 . 1 1 125 125 LEU N N 15 0.085 0.002 . . . . . . . 51087 1 106 . 1 1 126 126 TYR N N 15 0.057 0.001 . . . . . . . 51087 1 107 . 1 1 127 127 ASN N N 15 0.059 0.001 . . . . . . . 51087 1 108 . 1 1 128 128 LYS N N 15 0.073 0.001 . . . . . . . 51087 1 109 . 1 1 129 129 PHE N N 15 0.087 0.001 . . . . . . . 51087 1 110 . 1 1 130 130 GLY N N 15 0.071 0.002 . . . . . . . 51087 1 111 . 1 1 131 131 ILE N N 15 0.105 0.006 . . . . . . . 51087 1 112 . 1 1 132 132 THR N N 15 0.088 0.001 . . . . . . . 51087 1 113 . 1 1 133 133 LYS N N 15 0.086 0.005 . . . . . . . 51087 1 114 . 1 1 134 134 GLU N N 15 0.082 0.007 . . . . . . . 51087 1 115 . 1 1 135 135 LYS N N 15 0.062 0.002 . . . . . . . 51087 1 116 . 1 1 136 136 LEU N N 15 0.074 0.002 . . . . . . . 51087 1 117 . 1 1 137 137 THR N N 15 0.084 0.003 . . . . . . . 51087 1 118 . 1 1 138 138 LYS N N 15 0.075 0.002 . . . . . . . 51087 1 119 . 1 1 139 139 ALA N N 15 0.069 0.001 . . . . . . . 51087 1 120 . 1 1 140 140 VAL N N 15 0.080 0.002 . . . . . . . 51087 1 121 . 1 1 143 143 TYR N N 15 0.084 0.001 . . . . . . . 51087 1 122 . 1 1 144 144 ARG N N 15 0.065 0.001 . . . . . . . 51087 1 123 . 1 1 145 145 GLY N N 15 0.085 0.002 . . . . . . . 51087 1 124 . 1 1 146 146 GLY N N 15 0.126 0.008 . . . . . . . 51087 1 125 . 1 1 147 147 GLU N N 15 0.167 0.014 . . . . . . . 51087 1 126 . 1 1 148 148 LYS N N 15 0.194 0.015 . . . . . . . 51087 1 127 . 1 1 149 149 VAL N N 15 0.227 0.021 . . . . . . . 51087 1 128 . 1 1 152 152 GLN N N 15 0.285 0.054 . . . . . . . 51087 1 129 . 1 1 153 153 ASN N N 15 0.193 0.025 . . . . . . . 51087 1 130 . 1 1 155 155 GLU N N 15 0.383 0.061 . . . . . . . 51087 1 131 . 1 1 156 156 ASP N N 15 0.700 0.034 . . . . . . . 51087 1 stop_ save_