data_27484 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27484 _Entry.Title ; Backbone assignment of KSHV ORF57 68-178 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-05-15 _Entry.Accession_date 2018-05-15 _Entry.Last_release_date 2018-05-16 _Entry.Original_release_date 2018-05-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 assignmnt of Kaposi's Sarcoma herpes virus ORF57 residues 68-178" _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 Richard Tunnicliffe . B. . . 27484 2 Xiaochen Tian . . . . 27484 3 Joanna Storer . . . . 27484 4 Rozanne Sandri-Goldin . M. . . 27484 5 Alexander Golovanov . P. . . 27484 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27484 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 93 27484 '1H chemical shifts' 93 27484 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 . . 2018-10-10 2018-05-15 update BMRB 'update entry citation' 27484 1 . . 2018-09-24 2018-05-15 original author 'original release' 27484 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27484 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/s41598-018-33379-x _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Overlapping motifs on the herpes viral proteins ICP27 and ORF57 mediate interactions with the mRNA export adaptors ALYREF and UIF ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 8 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 15005 _Citation.Page_last 15005 _Citation.Year 2018 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Richard Tunnicliffe . B. . . 27484 1 2 Xiaochen Tian . . . . 27484 1 3 Joanna Storer . . . . 27484 1 4 Rozanne Sandri-Goldin . M. . . 27484 1 5 Alexander Golovanov . P. . . 27484 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Intrinsically disordered' 27484 1 'mRNA export' 27484 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27484 _Assembly.ID 1 _Assembly.Name 'ORF57 68-178' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 15024.10 _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 'ORF57 68-178' 1 $ORF57 A . yes native no no . . . 27484 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Interaction with AlyREF, UIF and RNA' 27484 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ORF57 _Entity.Sf_category entity _Entity.Sf_framecode ORF57 _Entity.Entry_ID 27484 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ORF57 _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 ; MGSSHHHHHHSSGLVPRGSH MGRIPKKSQGRSQLRSEIQF CSPLSRPRSPSPVNRYGKKI KFGTAGQNTRPPPEKRPRRR PRDRLQYGRTTRGGQCRAAP KRATRRPQVNCQRQDDDVRQ GVSDAVKKLRLP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'N-terminal residue is number 47' _Entity.Polymer_author_seq_details 'N-terminal tag introdued in cloning is: MGSSHHHHHHSSGLVPRGSHM followed by KSHV ORF57 residues 68-178.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 132 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Residues 68-178, N-terminal IDR' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q2HR75 . ORF57 . . . . . . . . . . . . . . 27484 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Accumilation and nuclear export of viral mRNA' 27484 1 'Splicing modulation' 27484 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 47 MET . 27484 1 2 48 GLY . 27484 1 3 49 SER . 27484 1 4 50 SER . 27484 1 5 51 HIS . 27484 1 6 52 HIS . 27484 1 7 53 HIS . 27484 1 8 54 HIS . 27484 1 9 55 HIS . 27484 1 10 56 HIS . 27484 1 11 57 SER . 27484 1 12 58 SER . 27484 1 13 59 GLY . 27484 1 14 60 LEU . 27484 1 15 61 VAL . 27484 1 16 62 PRO . 27484 1 17 63 ARG . 27484 1 18 64 GLY . 27484 1 19 65 SER . 27484 1 20 66 HIS . 27484 1 21 67 MET . 27484 1 22 68 GLY . 27484 1 23 69 ARG . 27484 1 24 70 ILE . 27484 1 25 71 PRO . 27484 1 26 72 LYS . 27484 1 27 73 LYS . 27484 1 28 74 SER . 27484 1 29 75 GLN . 27484 1 30 76 GLY . 27484 1 31 77 ARG . 27484 1 32 78 SER . 27484 1 33 79 GLN . 27484 1 34 80 LEU . 27484 1 35 81 ARG . 27484 1 36 82 SER . 27484 1 37 83 GLU . 27484 1 38 84 ILE . 27484 1 39 85 GLN . 27484 1 40 86 PHE . 27484 1 41 87 CYS . 27484 1 42 88 SER . 27484 1 43 89 PRO . 27484 1 44 90 LEU . 27484 1 45 91 SER . 27484 1 46 92 ARG . 27484 1 47 93 PRO . 27484 1 48 94 ARG . 27484 1 49 95 SER . 27484 1 50 96 PRO . 27484 1 51 97 SER . 27484 1 52 98 PRO . 27484 1 53 99 VAL . 27484 1 54 100 ASN . 27484 1 55 101 ARG . 27484 1 56 102 TYR . 27484 1 57 103 GLY . 27484 1 58 104 LYS . 27484 1 59 105 LYS . 27484 1 60 106 ILE . 27484 1 61 107 LYS . 27484 1 62 108 PHE . 27484 1 63 109 GLY . 27484 1 64 110 THR . 27484 1 65 111 ALA . 27484 1 66 112 GLY . 27484 1 67 113 GLN . 27484 1 68 114 ASN . 27484 1 69 115 THR . 27484 1 70 116 ARG . 27484 1 71 117 PRO . 27484 1 72 118 PRO . 27484 1 73 119 PRO . 27484 1 74 120 GLU . 27484 1 75 121 LYS . 27484 1 76 122 ARG . 27484 1 77 123 PRO . 27484 1 78 124 ARG . 27484 1 79 125 ARG . 27484 1 80 126 ARG . 27484 1 81 127 PRO . 27484 1 82 128 ARG . 27484 1 83 129 ASP . 27484 1 84 130 ARG . 27484 1 85 131 LEU . 27484 1 86 132 GLN . 27484 1 87 133 TYR . 27484 1 88 134 GLY . 27484 1 89 135 ARG . 27484 1 90 136 THR . 27484 1 91 137 THR . 27484 1 92 138 ARG . 27484 1 93 139 GLY . 27484 1 94 140 GLY . 27484 1 95 141 GLN . 27484 1 96 142 CYS . 27484 1 97 143 ARG . 27484 1 98 144 ALA . 27484 1 99 145 ALA . 27484 1 100 146 PRO . 27484 1 101 147 LYS . 27484 1 102 148 ARG . 27484 1 103 149 ALA . 27484 1 104 150 THR . 27484 1 105 151 ARG . 27484 1 106 152 ARG . 27484 1 107 153 PRO . 27484 1 108 154 GLN . 27484 1 109 155 VAL . 27484 1 110 156 ASN . 27484 1 111 157 CYS . 27484 1 112 158 GLN . 27484 1 113 159 ARG . 27484 1 114 160 GLN . 27484 1 115 161 ASP . 27484 1 116 162 ASP . 27484 1 117 163 ASP . 27484 1 118 164 VAL . 27484 1 119 165 ARG . 27484 1 120 166 GLN . 27484 1 121 167 GLY . 27484 1 122 168 VAL . 27484 1 123 169 SER . 27484 1 124 170 ASP . 27484 1 125 171 ALA . 27484 1 126 172 VAL . 27484 1 127 173 LYS . 27484 1 128 174 LYS . 27484 1 129 175 LEU . 27484 1 130 176 ARG . 27484 1 131 177 LEU . 27484 1 132 178 PRO . 27484 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 27484 1 . GLY 2 2 27484 1 . SER 3 3 27484 1 . SER 4 4 27484 1 . HIS 5 5 27484 1 . HIS 6 6 27484 1 . HIS 7 7 27484 1 . HIS 8 8 27484 1 . HIS 9 9 27484 1 . HIS 10 10 27484 1 . SER 11 11 27484 1 . SER 12 12 27484 1 . GLY 13 13 27484 1 . LEU 14 14 27484 1 . VAL 15 15 27484 1 . PRO 16 16 27484 1 . ARG 17 17 27484 1 . GLY 18 18 27484 1 . SER 19 19 27484 1 . HIS 20 20 27484 1 . MET 21 21 27484 1 . GLY 22 22 27484 1 . ARG 23 23 27484 1 . ILE 24 24 27484 1 . PRO 25 25 27484 1 . LYS 26 26 27484 1 . LYS 27 27 27484 1 . SER 28 28 27484 1 . GLN 29 29 27484 1 . GLY 30 30 27484 1 . ARG 31 31 27484 1 . SER 32 32 27484 1 . GLN 33 33 27484 1 . LEU 34 34 27484 1 . ARG 35 35 27484 1 . SER 36 36 27484 1 . GLU 37 37 27484 1 . ILE 38 38 27484 1 . GLN 39 39 27484 1 . PHE 40 40 27484 1 . CYS 41 41 27484 1 . SER 42 42 27484 1 . PRO 43 43 27484 1 . LEU 44 44 27484 1 . SER 45 45 27484 1 . ARG 46 46 27484 1 . PRO 47 47 27484 1 . ARG 48 48 27484 1 . SER 49 49 27484 1 . PRO 50 50 27484 1 . SER 51 51 27484 1 . PRO 52 52 27484 1 . VAL 53 53 27484 1 . ASN 54 54 27484 1 . ARG 55 55 27484 1 . TYR 56 56 27484 1 . GLY 57 57 27484 1 . LYS 58 58 27484 1 . LYS 59 59 27484 1 . ILE 60 60 27484 1 . LYS 61 61 27484 1 . PHE 62 62 27484 1 . GLY 63 63 27484 1 . THR 64 64 27484 1 . ALA 65 65 27484 1 . GLY 66 66 27484 1 . GLN 67 67 27484 1 . ASN 68 68 27484 1 . THR 69 69 27484 1 . ARG 70 70 27484 1 . PRO 71 71 27484 1 . PRO 72 72 27484 1 . PRO 73 73 27484 1 . GLU 74 74 27484 1 . LYS 75 75 27484 1 . ARG 76 76 27484 1 . PRO 77 77 27484 1 . ARG 78 78 27484 1 . ARG 79 79 27484 1 . ARG 80 80 27484 1 . PRO 81 81 27484 1 . ARG 82 82 27484 1 . ASP 83 83 27484 1 . ARG 84 84 27484 1 . LEU 85 85 27484 1 . GLN 86 86 27484 1 . TYR 87 87 27484 1 . GLY 88 88 27484 1 . ARG 89 89 27484 1 . THR 90 90 27484 1 . THR 91 91 27484 1 . ARG 92 92 27484 1 . GLY 93 93 27484 1 . GLY 94 94 27484 1 . GLN 95 95 27484 1 . CYS 96 96 27484 1 . ARG 97 97 27484 1 . ALA 98 98 27484 1 . ALA 99 99 27484 1 . PRO 100 100 27484 1 . LYS 101 101 27484 1 . ARG 102 102 27484 1 . ALA 103 103 27484 1 . THR 104 104 27484 1 . ARG 105 105 27484 1 . ARG 106 106 27484 1 . PRO 107 107 27484 1 . GLN 108 108 27484 1 . VAL 109 109 27484 1 . ASN 110 110 27484 1 . CYS 111 111 27484 1 . GLN 112 112 27484 1 . ARG 113 113 27484 1 . GLN 114 114 27484 1 . ASP 115 115 27484 1 . ASP 116 116 27484 1 . ASP 117 117 27484 1 . VAL 118 118 27484 1 . ARG 119 119 27484 1 . GLN 120 120 27484 1 . GLY 121 121 27484 1 . VAL 122 122 27484 1 . SER 123 123 27484 1 . ASP 124 124 27484 1 . ALA 125 125 27484 1 . VAL 126 126 27484 1 . LYS 127 127 27484 1 . LYS 128 128 27484 1 . LEU 129 129 27484 1 . ARG 130 130 27484 1 . LEU 131 131 27484 1 . PRO 132 132 27484 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27484 _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 $ORF57 . 37296 virus . 'Human herpesvirus 8 type P' 'Human gammaherpesvirus 8' . . Viruses . Rhadinovirus 'Human herpesvirus 8 type P' GK18 . . . . . . . . . . ORF57 "Kaposi's sarcoma herpes virus" 27484 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27484 _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 $ORF57 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'T7 express' . . . . . pET-15b . . . 27484 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27484 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'ORF57 68-178' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ORF57 '[U-100% 15N]' . . 1 $ORF57 . . 0.4 . . mM . . . . 27484 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27484 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27484 1 4 L-Arginine 'natural abundance' . . . . . . 50 . . mM . . . . 27484 1 5 L-Glutamate 'natural abundance' . . . . . . 50 . . mM . . . . 27484 1 6 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27484 1 7 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 27484 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27484 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 27484 1 pH 6.2 . pH 27484 1 pressure 1 . atm 27484 1 temperature 298 . K 27484 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27484 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27484 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27484 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27484 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version 3.12 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27484 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27484 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800 _NMR_spectrometer.Entry_ID 27484 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600 _NMR_spectrometer.Entry_ID 27484 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27484 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 800 Bruker Avance . 800 . . . 27484 1 2 600 Bruker DRX . 600 . . . 27484 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27484 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $800 . . . . . . . . . . . . . . . . 27484 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $800 . . . . . . . . . . . . . . . . 27484 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $600 . . . . . . . . . . . . . . . . 27484 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27484 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27484 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27484 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27484 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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' . . . 27484 1 2 '3D 1H-15N NOESY' . . . 27484 1 3 '3D 1H-15N TOCSY' . . . 27484 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 2 $SPARKY . . 27484 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 13 13 GLY H H 1 8.321 0.010 . 1 . . . . . 59 GLY H . 27484 1 2 . 1 1 13 13 GLY N N 15 110.604 0.050 . 1 . . . . . 59 GLY N . 27484 1 3 . 1 1 14 14 LEU H H 1 7.964 0.010 . 1 . . . . . 60 LEU H . 27484 1 4 . 1 1 14 14 LEU N N 15 121.539 0.050 . 1 . . . . . 60 LEU N . 27484 1 5 . 1 1 15 15 VAL H H 1 8.016 0.010 . 1 . . . . . 61 VAL H . 27484 1 6 . 1 1 15 15 VAL N N 15 122.743 0.050 . 1 . . . . . 61 VAL N . 27484 1 7 . 1 1 18 18 GLY H H 1 8.423 0.010 . 1 . . . . . 64 GLY H . 27484 1 8 . 1 1 18 18 GLY N N 15 110.361 0.050 . 1 . . . . . 64 GLY N . 27484 1 9 . 1 1 19 19 SER H H 1 8.153 0.010 . 1 . . . . . 65 SER H . 27484 1 10 . 1 1 19 19 SER N N 15 115.619 0.050 . 1 . . . . . 65 SER N . 27484 1 11 . 1 1 22 22 GLY H H 1 8.324 0.010 . 1 . . . . . 68 GLY H . 27484 1 12 . 1 1 22 22 GLY N N 15 109.874 0.050 . 1 . . . . . 68 GLY N . 27484 1 13 . 1 1 23 23 ARG H H 1 8.050 0.010 . 1 . . . . . 69 ARG H . 27484 1 14 . 1 1 23 23 ARG N N 15 120.528 0.050 . 1 . . . . . 69 ARG N . 27484 1 15 . 1 1 24 24 ILE H H 1 8.179 0.010 . 1 . . . . . 70 ILE H . 27484 1 16 . 1 1 24 24 ILE N N 15 124.279 0.050 . 1 . . . . . 70 ILE N . 27484 1 17 . 1 1 26 26 LYS H H 1 8.314 0.010 . 1 . . . . . 72 LYS H . 27484 1 18 . 1 1 26 26 LYS N N 15 122.236 0.050 . 1 . . . . . 72 LYS N . 27484 1 19 . 1 1 28 28 SER H H 1 8.359 0.010 . 1 . . . . . 74 SER H . 27484 1 20 . 1 1 28 28 SER N N 15 117.818 0.050 . 1 . . . . . 74 SER N . 27484 1 21 . 1 1 30 30 GLY H H 1 8.360 0.010 . 1 . . . . . 76 GLY H . 27484 1 22 . 1 1 30 30 GLY N N 15 110.018 0.050 . 1 . . . . . 76 GLY N . 27484 1 23 . 1 1 31 31 ARG H H 1 8.218 0.010 . 1 . . . . . 77 ARG H . 27484 1 24 . 1 1 31 31 ARG N N 15 120.724 0.050 . 1 . . . . . 77 ARG N . 27484 1 25 . 1 1 32 32 SER H H 1 8.199 0.010 . 1 . . . . . 78 SER H . 27484 1 26 . 1 1 32 32 SER N N 15 116.637 0.050 . 1 . . . . . 78 SER N . 27484 1 27 . 1 1 33 33 GLN H H 1 8.385 0.010 . 1 . . . . . 79 GLN H . 27484 1 28 . 1 1 33 33 GLN N N 15 112.401 0.050 . 1 . . . . . 79 GLN N . 27484 1 29 . 1 1 34 34 LEU H H 1 8.097 0.010 . 1 . . . . . 80 LEU H . 27484 1 30 . 1 1 34 34 LEU N N 15 120.767 0.050 . 1 . . . . . 80 LEU N . 27484 1 31 . 1 1 35 35 ARG H H 1 8.278 0.010 . 1 . . . . . 81 ARG H . 27484 1 32 . 1 1 35 35 ARG N N 15 122.021 0.050 . 1 . . . . . 81 ARG N . 27484 1 33 . 1 1 36 36 SER H H 1 8.300 0.010 . 1 . . . . . 82 SER H . 27484 1 34 . 1 1 36 36 SER N N 15 117.379 0.050 . 1 . . . . . 82 SER N . 27484 1 35 . 1 1 37 37 GLU H H 1 8.386 0.010 . 1 . . . . . 83 GLU H . 27484 1 36 . 1 1 37 37 GLU N N 15 122.735 0.050 . 1 . . . . . 83 GLU N . 27484 1 37 . 1 1 38 38 ILE H H 1 7.946 0.010 . 1 . . . . . 84 ILE H . 27484 1 38 . 1 1 38 38 ILE N N 15 121.279 0.050 . 1 . . . . . 84 ILE N . 27484 1 39 . 1 1 39 39 GLN H H 1 8.208 0.010 . 1 . . . . . 85 GLN H . 27484 1 40 . 1 1 39 39 GLN N N 15 123.787 0.050 . 1 . . . . . 85 GLN N . 27484 1 41 . 1 1 40 40 PHE H H 1 8.189 0.010 . 1 . . . . . 86 PHE H . 27484 1 42 . 1 1 40 40 PHE N N 15 121.616 0.050 . 1 . . . . . 86 PHE N . 27484 1 43 . 1 1 41 41 CYS H H 1 8.091 0.010 . 1 . . . . . 87 CYS H . 27484 1 44 . 1 1 41 41 CYS N N 15 121.153 0.050 . 1 . . . . . 87 CYS N . 27484 1 45 . 1 1 42 42 SER H H 1 8.291 0.010 . 1 . . . . . 88 SER H . 27484 1 46 . 1 1 42 42 SER N N 15 119.708 0.050 . 1 . . . . . 88 SER N . 27484 1 47 . 1 1 44 44 LEU H H 1 8.139 0.010 . 1 . . . . . 90 LEU H . 27484 1 48 . 1 1 44 44 LEU N N 15 123.249 0.050 . 1 . . . . . 90 LEU N . 27484 1 49 . 1 1 45 45 SER H H 1 8.014 0.010 . 1 . . . . . 91 SER H . 27484 1 50 . 1 1 45 45 SER N N 15 116.190 0.050 . 1 . . . . . 91 SER N . 27484 1 51 . 1 1 46 46 ARG H H 1 8.080 0.010 . 1 . . . . . 92 ARG H . 27484 1 52 . 1 1 46 46 ARG N N 15 123.683 0.050 . 1 . . . . . 92 ARG N . 27484 1 53 . 1 1 49 49 SER H H 1 8.320 0.010 . 1 . . . . . 95 SER H . 27484 1 54 . 1 1 49 49 SER N N 15 118.749 0.050 . 1 . . . . . 95 SER N . 27484 1 55 . 1 1 51 51 SER H H 1 8.339 0.010 . 1 . . . . . 97 SER H . 27484 1 56 . 1 1 51 51 SER N N 15 117.970 0.050 . 1 . . . . . 97 SER N . 27484 1 57 . 1 1 53 53 VAL H H 1 8.026 0.010 . 1 . . . . . 99 VAL H . 27484 1 58 . 1 1 53 53 VAL N N 15 119.383 0.050 . 1 . . . . . 99 VAL N . 27484 1 59 . 1 1 54 54 ASN H H 1 8.354 0.010 . 1 . . . . . 100 ASN H . 27484 1 60 . 1 1 54 54 ASN N N 15 122.134 0.050 . 1 . . . . . 100 ASN N . 27484 1 61 . 1 1 55 55 ARG H H 1 8.225 0.010 . 1 . . . . . 101 ARG H . 27484 1 62 . 1 1 55 55 ARG N N 15 121.520 0.050 . 1 . . . . . 101 ARG N . 27484 1 63 . 1 1 56 56 TYR H H 1 8.027 0.010 . 1 . . . . . 102 TYR H . 27484 1 64 . 1 1 56 56 TYR N N 15 119.746 0.050 . 1 . . . . . 102 TYR N . 27484 1 65 . 1 1 57 57 GLY H H 1 8.091 0.010 . 1 . . . . . 103 GLY H . 27484 1 66 . 1 1 57 57 GLY N N 15 109.593 0.050 . 1 . . . . . 103 GLY N . 27484 1 67 . 1 1 58 58 LYS H H 1 7.972 0.010 . 1 . . . . . 104 LYS H . 27484 1 68 . 1 1 58 58 LYS N N 15 120.751 0.050 . 1 . . . . . 104 LYS N . 27484 1 69 . 1 1 59 59 LYS H H 1 8.307 0.010 . 1 . . . . . 105 LYS H . 27484 1 70 . 1 1 59 59 LYS N N 15 123.077 0.050 . 1 . . . . . 105 LYS N . 27484 1 71 . 1 1 60 60 ILE H H 1 8.011 0.010 . 1 . . . . . 106 ILE H . 27484 1 72 . 1 1 60 60 ILE N N 15 122.844 0.050 . 1 . . . . . 106 ILE N . 27484 1 73 . 1 1 61 61 LYS H H 1 8.198 0.010 . 1 . . . . . 107 LYS H . 27484 1 74 . 1 1 61 61 LYS N N 15 125.740 0.050 . 1 . . . . . 107 LYS N . 27484 1 75 . 1 1 62 62 PHE H H 1 8.239 0.010 . 1 . . . . . 108 PHE H . 27484 1 76 . 1 1 62 62 PHE N N 15 122.309 0.050 . 1 . . . . . 108 PHE N . 27484 1 77 . 1 1 63 63 GLY H H 1 8.278 0.010 . 1 . . . . . 109 GLY H . 27484 1 78 . 1 1 63 63 GLY N N 15 110.810 0.050 . 1 . . . . . 109 GLY N . 27484 1 79 . 1 1 64 64 THR H H 1 7.995 0.010 . 1 . . . . . 110 THR H . 27484 1 80 . 1 1 64 64 THR N N 15 113.483 0.050 . 1 . . . . . 110 THR N . 27484 1 81 . 1 1 65 65 ALA H H 1 8.322 0.010 . 1 . . . . . 111 ALA H . 27484 1 82 . 1 1 65 65 ALA N N 15 126.388 0.050 . 1 . . . . . 111 ALA N . 27484 1 83 . 1 1 66 66 GLY H H 1 8.297 0.010 . 1 . . . . . 112 GLY H . 27484 1 84 . 1 1 66 66 GLY N N 15 108.244 0.050 . 1 . . . . . 112 GLY N . 27484 1 85 . 1 1 67 67 GLN H H 1 8.107 0.010 . 1 . . . . . 113 GLN H . 27484 1 86 . 1 1 67 67 GLN N N 15 119.565 0.050 . 1 . . . . . 113 GLN N . 27484 1 87 . 1 1 68 68 ASN H H 1 8.462 0.010 . 1 . . . . . 114 ASN H . 27484 1 88 . 1 1 68 68 ASN N N 15 119.714 0.050 . 1 . . . . . 114 ASN N . 27484 1 89 . 1 1 69 69 THR H H 1 7.994 0.010 . 1 . . . . . 115 THR H . 27484 1 90 . 1 1 69 69 THR N N 15 114.477 0.050 . 1 . . . . . 115 THR N . 27484 1 91 . 1 1 70 70 ARG H H 1 8.221 0.010 . 1 . . . . . 116 ARG H . 27484 1 92 . 1 1 70 70 ARG N N 15 124.622 0.050 . 1 . . . . . 116 ARG N . 27484 1 93 . 1 1 76 76 ARG H H 1 8.240 0.010 . 1 . . . . . 122 ARG H . 27484 1 94 . 1 1 76 76 ARG N N 15 123.369 0.050 . 1 . . . . . 122 ARG N . 27484 1 95 . 1 1 78 78 ARG H H 1 8.415 0.010 . 1 . . . . . 124 ARG H . 27484 1 96 . 1 1 78 78 ARG N N 15 121.686 0.050 . 1 . . . . . 124 ARG N . 27484 1 97 . 1 1 79 79 ARG H H 1 8.384 0.010 . 1 . . . . . 125 ARG H . 27484 1 98 . 1 1 79 79 ARG N N 15 123.022 0.050 . 1 . . . . . 125 ARG N . 27484 1 99 . 1 1 80 80 ARG H H 1 8.471 0.010 . 1 . . . . . 126 ARG H . 27484 1 100 . 1 1 80 80 ARG N N 15 124.219 0.050 . 1 . . . . . 126 ARG N . 27484 1 101 . 1 1 82 82 ARG H H 1 8.401 0.010 . 1 . . . . . 128 ARG H . 27484 1 102 . 1 1 82 82 ARG N N 15 120.615 0.050 . 1 . . . . . 128 ARG N . 27484 1 103 . 1 1 83 83 ASP H H 1 8.178 0.010 . 1 . . . . . 129 ASP H . 27484 1 104 . 1 1 83 83 ASP N N 15 121.243 0.050 . 1 . . . . . 129 ASP N . 27484 1 105 . 1 1 84 84 ARG H H 1 8.186 0.010 . 1 . . . . . 130 ARG H . 27484 1 106 . 1 1 84 84 ARG N N 15 121.243 0.050 . 1 . . . . . 130 ARG N . 27484 1 107 . 1 1 85 85 LEU H H 1 8.133 0.010 . 1 . . . . . 131 LEU H . 27484 1 108 . 1 1 85 85 LEU N N 15 122.362 0.050 . 1 . . . . . 131 LEU N . 27484 1 109 . 1 1 86 86 GLN H H 1 8.109 0.010 . 1 . . . . . 132 GLN H . 27484 1 110 . 1 1 86 86 GLN N N 15 120.091 0.050 . 1 . . . . . 132 GLN N . 27484 1 111 . 1 1 87 87 TYR H H 1 8.071 0.010 . 1 . . . . . 133 TYR H . 27484 1 112 . 1 1 87 87 TYR N N 15 120.911 0.050 . 1 . . . . . 133 TYR N . 27484 1 113 . 1 1 88 88 GLY H H 1 8.243 0.010 . 1 . . . . . 134 GLY H . 27484 1 114 . 1 1 88 88 GLY N N 15 110.211 0.050 . 1 . . . . . 134 GLY N . 27484 1 115 . 1 1 89 89 ARG H H 1 8.095 0.010 . 1 . . . . . 135 ARG H . 27484 1 116 . 1 1 89 89 ARG N N 15 120.478 0.050 . 1 . . . . . 135 ARG N . 27484 1 117 . 1 1 90 90 THR H H 1 8.210 0.010 . 1 . . . . . 136 THR H . 27484 1 118 . 1 1 90 90 THR N N 15 115.049 0.050 . 1 . . . . . 136 THR N . 27484 1 119 . 1 1 91 91 THR H H 1 8.120 0.010 . 1 . . . . . 137 THR H . 27484 1 120 . 1 1 91 91 THR N N 15 116.495 0.050 . 1 . . . . . 137 THR N . 27484 1 121 . 1 1 92 92 ARG H H 1 8.355 0.010 . 1 . . . . . 138 ARG H . 27484 1 122 . 1 1 92 92 ARG N N 15 123.523 0.050 . 1 . . . . . 138 ARG N . 27484 1 123 . 1 1 93 93 GLY H H 1 8.393 0.010 . 1 . . . . . 139 GLY H . 27484 1 124 . 1 1 93 93 GLY N N 15 110.260 0.050 . 1 . . . . . 139 GLY N . 27484 1 125 . 1 1 94 94 GLY H H 1 8.221 0.010 . 1 . . . . . 140 GLY H . 27484 1 126 . 1 1 94 94 GLY N N 15 108.727 0.050 . 1 . . . . . 140 GLY N . 27484 1 127 . 1 1 95 95 GLN H H 1 8.229 0.010 . 1 . . . . . 141 GLN H . 27484 1 128 . 1 1 95 95 GLN N N 15 119.761 0.050 . 1 . . . . . 141 GLN N . 27484 1 129 . 1 1 96 96 CYS H H 1 8.364 0.010 . 1 . . . . . 142 CYS H . 27484 1 130 . 1 1 96 96 CYS N N 15 120.830 0.050 . 1 . . . . . 142 CYS N . 27484 1 131 . 1 1 98 98 ALA H H 1 8.213 0.010 . 1 . . . . . 144 ALA H . 27484 1 132 . 1 1 98 98 ALA N N 15 125.632 0.050 . 1 . . . . . 144 ALA N . 27484 1 133 . 1 1 99 99 ALA H H 1 8.201 0.010 . 1 . . . . . 145 ALA H . 27484 1 134 . 1 1 99 99 ALA N N 15 125.205 0.050 . 1 . . . . . 145 ALA N . 27484 1 135 . 1 1 103 103 ALA H H 1 8.358 0.010 . 1 . . . . . 149 ALA H . 27484 1 136 . 1 1 103 103 ALA N N 15 126.057 0.050 . 1 . . . . . 149 ALA N . 27484 1 137 . 1 1 104 104 THR H H 1 8.107 0.010 . 1 . . . . . 150 THR H . 27484 1 138 . 1 1 104 104 THR N N 15 114.589 0.050 . 1 . . . . . 150 THR N . 27484 1 139 . 1 1 105 105 ARG H H 1 8.319 0.010 . 1 . . . . . 151 ARG H . 27484 1 140 . 1 1 105 105 ARG N N 15 124.075 0.050 . 1 . . . . . 151 ARG N . 27484 1 141 . 1 1 106 106 ARG H H 1 8.383 0.010 . 1 . . . . . 152 ARG H . 27484 1 142 . 1 1 106 106 ARG N N 15 124.135 0.050 . 1 . . . . . 152 ARG N . 27484 1 143 . 1 1 108 108 GLN H H 1 8.424 0.010 . 1 . . . . . 154 GLN H . 27484 1 144 . 1 1 108 108 GLN N N 15 121.153 0.050 . 1 . . . . . 154 GLN N . 27484 1 145 . 1 1 109 109 VAL H H 1 8.099 0.010 . 1 . . . . . 155 VAL H . 27484 1 146 . 1 1 109 109 VAL N N 15 121.290 0.050 . 1 . . . . . 155 VAL N . 27484 1 147 . 1 1 110 110 ASN H H 1 8.494 0.010 . 1 . . . . . 156 ASN H . 27484 1 148 . 1 1 110 110 ASN N N 15 122.212 0.050 . 1 . . . . . 156 ASN N . 27484 1 149 . 1 1 113 113 ARG H H 1 8.412 0.010 . 1 . . . . . 159 ARG H . 27484 1 150 . 1 1 113 113 ARG N N 15 122.085 0.050 . 1 . . . . . 159 ARG N . 27484 1 151 . 1 1 114 114 GLN H H 1 8.484 0.010 . 1 . . . . . 160 GLN H . 27484 1 152 . 1 1 114 114 GLN N N 15 122.273 0.050 . 1 . . . . . 160 GLN N . 27484 1 153 . 1 1 115 115 ASP H H 1 8.317 0.010 . 1 . . . . . 161 ASP H . 27484 1 154 . 1 1 115 115 ASP N N 15 121.440 0.050 . 1 . . . . . 161 ASP N . 27484 1 155 . 1 1 116 116 ASP H H 1 8.185 0.010 . 1 . . . . . 162 ASP H . 27484 1 156 . 1 1 116 116 ASP N N 15 120.378 0.050 . 1 . . . . . 162 ASP N . 27484 1 157 . 1 1 117 117 ASP H H 1 8.300 0.010 . 1 . . . . . 163 ASP H . 27484 1 158 . 1 1 117 117 ASP N N 15 122.700 0.050 . 1 . . . . . 163 ASP N . 27484 1 159 . 1 1 118 118 VAL H H 1 7.896 0.010 . 1 . . . . . 164 VAL H . 27484 1 160 . 1 1 118 118 VAL N N 15 120.182 0.050 . 1 . . . . . 164 VAL N . 27484 1 161 . 1 1 119 119 ARG H H 1 8.198 0.010 . 1 . . . . . 165 ARG H . 27484 1 162 . 1 1 119 119 ARG N N 15 123.699 0.050 . 1 . . . . . 165 ARG N . 27484 1 163 . 1 1 120 120 GLN H H 1 8.243 0.010 . 1 . . . . . 166 GLN H . 27484 1 164 . 1 1 120 120 GLN N N 15 120.807 0.050 . 1 . . . . . 166 GLN N . 27484 1 165 . 1 1 121 121 GLY H H 1 8.334 0.010 . 1 . . . . . 167 GLY H . 27484 1 166 . 1 1 121 121 GLY N N 15 110.107 0.050 . 1 . . . . . 167 GLY N . 27484 1 167 . 1 1 122 122 VAL H H 1 7.884 0.010 . 1 . . . . . 168 VAL H . 27484 1 168 . 1 1 122 122 VAL N N 15 119.035 0.050 . 1 . . . . . 168 VAL N . 27484 1 169 . 1 1 123 123 SER H H 1 8.310 0.010 . 1 . . . . . 169 SER H . 27484 1 170 . 1 1 123 123 SER N N 15 119.129 0.050 . 1 . . . . . 169 SER N . 27484 1 171 . 1 1 124 124 ASP H H 1 8.166 0.010 . 1 . . . . . 170 ASP H . 27484 1 172 . 1 1 124 124 ASP N N 15 120.231 0.050 . 1 . . . . . 170 ASP N . 27484 1 173 . 1 1 125 125 ALA H H 1 8.047 0.010 . 1 . . . . . 171 ALA H . 27484 1 174 . 1 1 125 125 ALA N N 15 123.221 0.050 . 1 . . . . . 171 ALA N . 27484 1 175 . 1 1 126 126 VAL H H 1 7.799 0.010 . 1 . . . . . 172 VAL H . 27484 1 176 . 1 1 126 126 VAL N N 15 118.458 0.050 . 1 . . . . . 172 VAL N . 27484 1 177 . 1 1 127 127 LYS H H 1 8.091 0.010 . 1 . . . . . 173 LYS H . 27484 1 178 . 1 1 127 127 LYS N N 15 124.091 0.050 . 1 . . . . . 173 LYS N . 27484 1 179 . 1 1 128 128 LYS H H 1 8.047 0.010 . 1 . . . . . 174 LYS H . 27484 1 180 . 1 1 128 128 LYS N N 15 121.633 0.050 . 1 . . . . . 174 LYS N . 27484 1 181 . 1 1 129 129 LEU H H 1 7.971 0.010 . 1 . . . . . 175 LEU H . 27484 1 182 . 1 1 129 129 LEU N N 15 122.939 0.050 . 1 . . . . . 175 LEU N . 27484 1 183 . 1 1 130 130 ARG H H 1 8.119 0.010 . 1 . . . . . 176 ARG H . 27484 1 184 . 1 1 130 130 ARG N N 15 122.110 0.050 . 1 . . . . . 176 ARG N . 27484 1 185 . 1 1 131 131 LEU H H 1 8.145 0.010 . 1 . . . . . 177 LEU H . 27484 1 186 . 1 1 131 131 LEU N N 15 126.015 0.050 . 1 . . . . . 177 LEU N . 27484 1 stop_ save_