data_19028 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19028 _Entry.Title ; Flexible anchoring of archaeal MBF1 on ribosomes suggests role as recruitment factor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-02-12 _Entry.Accession_date 2013-02-12 _Entry.Last_release_date 2014-06-05 _Entry.Original_release_date 2014-06-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'C-terminal HTH domain of MBF1' _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.Entry_ID 1 Helene Launay . . . 19028 2 Fabian Blombarch . . . 19028 3 John 'van des Oost' . . . 19028 4 John Christodoulou . . . 19028 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University College of London' . 19028 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19028 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 238 19028 '15N chemical shifts' 77 19028 '1H chemical shifts' 77 19028 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 1 . . 2014-06-05 2013-02-12 original author . 19028 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19028 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Flexible anchoring of archeal MBF1 on ribosomes suggests role as recruitment factor.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume . _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 . _Citation.Page_last . _Citation.Year . _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.Entry_ID _Citation_author.Citation_ID 1 Helene Launay . . . 19028 1 2 Fabian Blombarch . . . 19028 1 3 John 'van des Oost' . . . 19028 1 4 John Christodoulou . . . 19028 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19028 _Assembly.ID 1 _Assembly.Name MBF1-C _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 12165.8 _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 MBF1-C 1 $MBF1-C A . yes native yes no . . 'Two peptidyl cis-trans isomerisation state for the T135-P136 peptide bond.' 19028 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MBF1-C _Entity.Sf_category entity _Entity.Sf_framecode MBF1-C _Entity.Entry_ID 19028 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MBF1-C _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 ; ENAELEIVTDYYKIIKTARE QLGISQQQLAQKLKVSENIV KRFESGKLKPTISQARQLEK ILGIKLVTPLENNEESEKEF DDTGLTLGDVVNIKEGKKLE HHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 no PDB 2MEZ . "Flexible Anchoring Of Archaeal Mbf1 On Ribosomes Suggests Role As Recruitment Factor" . . . . . 100.00 106 100.00 100.00 1.45e-67 . . . . 19028 1 2 no GB AAK40608 . "Multiprotein Bridging Factor (MBP-like), putative (MBP-like) [Sulfolobus solfataricus P2]" . . . . . 92.45 165 100.00 100.00 2.04e-60 . . . . 19028 1 3 no GB ACX91484 . "transcriptional regulator, XRE family [Sulfolobus solfataricus 98/2]" . . . . . 92.45 165 100.00 100.00 2.04e-60 . . . . 19028 1 4 no GB AKA73586 . "XRE family transcriptional regulator [Sulfolobus solfataricus]" . . . . . 92.45 165 100.00 100.00 2.04e-60 . . . . 19028 1 5 no GB AKA76284 . "XRE family transcriptional regulator [Sulfolobus solfataricus]" . . . . . 92.45 165 100.00 100.00 2.04e-60 . . . . 19028 1 6 no GB AKA78976 . "XRE family transcriptional regulator [Sulfolobus solfataricus]" . . . . . 92.45 165 100.00 100.00 2.04e-60 . . . . 19028 1 7 no REF WP_009990544 . "XRE family transcriptional regulator [Sulfolobus solfataricus]" . . . . . 92.45 165 100.00 100.00 2.04e-60 . . . . 19028 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 13 GLU . 19028 1 2 14 ASN . 19028 1 3 15 ALA . 19028 1 4 16 GLU . 19028 1 5 17 LEU . 19028 1 6 18 GLU . 19028 1 7 19 ILE . 19028 1 8 20 VAL . 19028 1 9 21 THR . 19028 1 10 22 ASP . 19028 1 11 23 TYR . 19028 1 12 24 TYR . 19028 1 13 25 LYS . 19028 1 14 26 ILE . 19028 1 15 27 ILE . 19028 1 16 28 LYS . 19028 1 17 29 THR . 19028 1 18 30 ALA . 19028 1 19 31 ARG . 19028 1 20 32 GLU . 19028 1 21 33 GLN . 19028 1 22 34 LEU . 19028 1 23 35 GLY . 19028 1 24 36 ILE . 19028 1 25 37 SER . 19028 1 26 38 GLN . 19028 1 27 39 GLN . 19028 1 28 40 GLN . 19028 1 29 41 LEU . 19028 1 30 42 ALA . 19028 1 31 43 GLN . 19028 1 32 44 LYS . 19028 1 33 45 LEU . 19028 1 34 46 LYS . 19028 1 35 47 VAL . 19028 1 36 48 SER . 19028 1 37 49 GLU . 19028 1 38 50 ASN . 19028 1 39 51 ILE . 19028 1 40 52 VAL . 19028 1 41 53 LYS . 19028 1 42 54 ARG . 19028 1 43 55 PHE . 19028 1 44 56 GLU . 19028 1 45 57 SER . 19028 1 46 58 GLY . 19028 1 47 59 LYS . 19028 1 48 60 LEU . 19028 1 49 61 LYS . 19028 1 50 62 PRO . 19028 1 51 63 THR . 19028 1 52 64 ILE . 19028 1 53 65 SER . 19028 1 54 66 GLN . 19028 1 55 67 ALA . 19028 1 56 68 ARG . 19028 1 57 69 GLN . 19028 1 58 70 LEU . 19028 1 59 71 GLU . 19028 1 60 72 LYS . 19028 1 61 73 ILE . 19028 1 62 74 LEU . 19028 1 63 75 GLY . 19028 1 64 76 ILE . 19028 1 65 77 LYS . 19028 1 66 78 LEU . 19028 1 67 79 VAL . 19028 1 68 80 THR . 19028 1 69 81 PRO . 19028 1 70 82 LEU . 19028 1 71 83 GLU . 19028 1 72 84 ASN . 19028 1 73 85 ASN . 19028 1 74 86 GLU . 19028 1 75 87 GLU . 19028 1 76 88 SER . 19028 1 77 89 GLU . 19028 1 78 90 LYS . 19028 1 79 91 GLU . 19028 1 80 92 PHE . 19028 1 81 93 ASP . 19028 1 82 94 ASP . 19028 1 83 95 THR . 19028 1 84 96 GLY . 19028 1 85 97 LEU . 19028 1 86 98 THR . 19028 1 87 99 LEU . 19028 1 88 100 GLY . 19028 1 89 101 ASP . 19028 1 90 102 VAL . 19028 1 91 103 VAL . 19028 1 92 104 ASN . 19028 1 93 105 ILE . 19028 1 94 106 LYS . 19028 1 95 107 GLU . 19028 1 96 108 GLY . 19028 1 97 109 LYS . 19028 1 98 110 LYS . 19028 1 99 111 LEU . 19028 1 100 112 GLU . 19028 1 101 113 HIS . 19028 1 102 114 HIS . 19028 1 103 115 HIS . 19028 1 104 116 HIS . 19028 1 105 117 HIS . 19028 1 106 118 HIS . 19028 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 . GLU 1 1 19028 1 . ASN 2 2 19028 1 . ALA 3 3 19028 1 . GLU 4 4 19028 1 . LEU 5 5 19028 1 . GLU 6 6 19028 1 . ILE 7 7 19028 1 . VAL 8 8 19028 1 . THR 9 9 19028 1 . ASP 10 10 19028 1 . TYR 11 11 19028 1 . TYR 12 12 19028 1 . LYS 13 13 19028 1 . ILE 14 14 19028 1 . ILE 15 15 19028 1 . LYS 16 16 19028 1 . THR 17 17 19028 1 . ALA 18 18 19028 1 . ARG 19 19 19028 1 . GLU 20 20 19028 1 . GLN 21 21 19028 1 . LEU 22 22 19028 1 . GLY 23 23 19028 1 . ILE 24 24 19028 1 . SER 25 25 19028 1 . GLN 26 26 19028 1 . GLN 27 27 19028 1 . GLN 28 28 19028 1 . LEU 29 29 19028 1 . ALA 30 30 19028 1 . GLN 31 31 19028 1 . LYS 32 32 19028 1 . LEU 33 33 19028 1 . LYS 34 34 19028 1 . VAL 35 35 19028 1 . SER 36 36 19028 1 . GLU 37 37 19028 1 . ASN 38 38 19028 1 . ILE 39 39 19028 1 . VAL 40 40 19028 1 . LYS 41 41 19028 1 . ARG 42 42 19028 1 . PHE 43 43 19028 1 . GLU 44 44 19028 1 . SER 45 45 19028 1 . GLY 46 46 19028 1 . LYS 47 47 19028 1 . LEU 48 48 19028 1 . LYS 49 49 19028 1 . PRO 50 50 19028 1 . THR 51 51 19028 1 . ILE 52 52 19028 1 . SER 53 53 19028 1 . GLN 54 54 19028 1 . ALA 55 55 19028 1 . ARG 56 56 19028 1 . GLN 57 57 19028 1 . LEU 58 58 19028 1 . GLU 59 59 19028 1 . LYS 60 60 19028 1 . ILE 61 61 19028 1 . LEU 62 62 19028 1 . GLY 63 63 19028 1 . ILE 64 64 19028 1 . LYS 65 65 19028 1 . LEU 66 66 19028 1 . VAL 67 67 19028 1 . THR 68 68 19028 1 . PRO 69 69 19028 1 . LEU 70 70 19028 1 . GLU 71 71 19028 1 . ASN 72 72 19028 1 . ASN 73 73 19028 1 . GLU 74 74 19028 1 . GLU 75 75 19028 1 . SER 76 76 19028 1 . GLU 77 77 19028 1 . LYS 78 78 19028 1 . GLU 79 79 19028 1 . PHE 80 80 19028 1 . ASP 81 81 19028 1 . ASP 82 82 19028 1 . THR 83 83 19028 1 . GLY 84 84 19028 1 . LEU 85 85 19028 1 . THR 86 86 19028 1 . LEU 87 87 19028 1 . GLY 88 88 19028 1 . ASP 89 89 19028 1 . VAL 90 90 19028 1 . VAL 91 91 19028 1 . ASN 92 92 19028 1 . ILE 93 93 19028 1 . LYS 94 94 19028 1 . GLU 95 95 19028 1 . GLY 96 96 19028 1 . LYS 97 97 19028 1 . LYS 98 98 19028 1 . LEU 99 99 19028 1 . GLU 100 100 19028 1 . HIS 101 101 19028 1 . HIS 102 102 19028 1 . HIS 103 103 19028 1 . HIS 104 104 19028 1 . HIS 105 105 19028 1 . HIS 106 106 19028 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 19028 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $MBF1-C . 2287 organism . 'Sulfolobus solfataricus' crenarchaeotes . . Archaea . Sulfolobus solfataricus . . . . . . . . . . . . . . . . . . . . . 19028 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 19028 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $MBF1-C . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pWUR557 . . . . . . 19028 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19028 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MBF1-C '[U-100% 13C; U-100% 15N]' . . 1 $MBF1-C . . 1 . . mM . . . . 19028 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19028 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19028 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19028 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 19028 _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' 0.05 . M 19028 1 pH 7.4 . pH 19028 1 pressure 1 . atm 19028 1 temperature 273 . K 19028 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19028 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Zhengrong and Bax' . . 19028 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19028 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19028 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'University College of London, London, UK' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19028 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'National Institute for Medical Research, London, UK' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 19028 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AMX . 700 'University College of London, London, UK' . . 19028 1 2 spectrometer_2 Varian INOVA . 800 'National Institute for Medical Research, London, UK' . . 19028 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 19028 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19028 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19028 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19028 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19028 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19028 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 19028 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19028 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19028 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19028 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 19028 _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 . _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' . . . 19028 1 2 '3D HNCO' . . . 19028 1 3 '3D HN(CA)CO' . . . 19028 1 4 '3D HNCACB' . . . 19028 1 5 '3D CBCA(CO)NH' . . . 19028 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLU C C 13 175.797 0.000 . 1 . . . . 13 GLU C . 19028 1 2 . 1 1 1 1 GLU CA C 13 62.625 0.000 . 1 . . . . 13 GLU CA . 19028 1 3 . 1 1 1 1 GLU CB C 13 32.707 0.000 . 1 . . . . 13 GLU CB . 19028 1 4 . 1 1 2 2 ASN H H 1 7.769 1.385 . 1 . . . . 14 ASN H . 19028 1 5 . 1 1 2 2 ASN C C 13 174.669 0.000 . 1 . . . . 14 ASN C . 19028 1 6 . 1 1 2 2 ASN CA C 13 53.374 0.050 . 1 . . . . 14 ASN CA . 19028 1 7 . 1 1 2 2 ASN CB C 13 38.820 0.043 . 1 . . . . 14 ASN CB . 19028 1 8 . 1 1 2 2 ASN N N 15 120.695 3.145 . 1 . . . . 14 ASN N . 19028 1 9 . 1 1 3 3 ALA H H 1 7.544 1.382 . 1 . . . . 15 ALA H . 19028 1 10 . 1 1 3 3 ALA C C 13 177.380 0.000 . 1 . . . . 15 ALA C . 19028 1 11 . 1 1 3 3 ALA CA C 13 52.746 0.057 . 1 . . . . 15 ALA CA . 19028 1 12 . 1 1 3 3 ALA CB C 13 19.478 0.013 . 1 . . . . 15 ALA CB . 19028 1 13 . 1 1 3 3 ALA N N 15 122.273 2.934 . 1 . . . . 15 ALA N . 19028 1 14 . 1 1 4 4 GLU H H 1 7.927 1.229 . 1 . . . . 16 GLU H . 19028 1 15 . 1 1 4 4 GLU C C 13 175.669 0.000 . 1 . . . . 16 GLU C . 19028 1 16 . 1 1 4 4 GLU CA C 13 56.441 0.013 . 1 . . . . 16 GLU CA . 19028 1 17 . 1 1 4 4 GLU CB C 13 30.209 0.079 . 1 . . . . 16 GLU CB . 19028 1 18 . 1 1 4 4 GLU N N 15 118.557 2.794 . 1 . . . . 16 GLU N . 19028 1 19 . 1 1 5 5 LEU H H 1 7.315 1.383 . 1 . . . . 17 LEU H . 19028 1 20 . 1 1 5 5 LEU C C 13 176.573 0.000 . 1 . . . . 17 LEU C . 19028 1 21 . 1 1 5 5 LEU CA C 13 54.861 0.092 . 1 . . . . 17 LEU CA . 19028 1 22 . 1 1 5 5 LEU CB C 13 42.687 0.073 . 1 . . . . 17 LEU CB . 19028 1 23 . 1 1 5 5 LEU N N 15 121.166 2.791 . 1 . . . . 17 LEU N . 19028 1 24 . 1 1 6 6 GLU H H 1 8.082 1.297 . 1 . . . . 18 GLU H . 19028 1 25 . 1 1 6 6 GLU C C 13 174.014 0.000 . 1 . . . . 18 GLU C . 19028 1 26 . 1 1 6 6 GLU CA C 13 54.571 0.048 . 1 . . . . 18 GLU CA . 19028 1 27 . 1 1 6 6 GLU CB C 13 33.921 0.024 . 1 . . . . 18 GLU CB . 19028 1 28 . 1 1 6 6 GLU N N 15 120.109 3.149 . 1 . . . . 18 GLU N . 19028 1 29 . 1 1 7 7 ILE H H 1 7.847 1.248 . 1 . . . . 19 ILE H . 19028 1 30 . 1 1 7 7 ILE C C 13 177.189 0.000 . 1 . . . . 19 ILE C . 19028 1 31 . 1 1 7 7 ILE CA C 13 58.129 0.060 . 1 . . . . 19 ILE CA . 19028 1 32 . 1 1 7 7 ILE CB C 13 37.832 0.036 . 1 . . . . 19 ILE CB . 19028 1 33 . 1 1 7 7 ILE N N 15 119.030 2.796 . 1 . . . . 19 ILE N . 19028 1 34 . 1 1 8 8 VAL H H 1 7.919 1.185 . 1 . . . . 20 VAL H . 19028 1 35 . 1 1 8 8 VAL C C 13 177.416 0.000 . 1 . . . . 20 VAL C . 19028 1 36 . 1 1 8 8 VAL CA C 13 62.334 0.056 . 1 . . . . 20 VAL CA . 19028 1 37 . 1 1 8 8 VAL CB C 13 32.322 0.065 . 1 . . . . 20 VAL CB . 19028 1 38 . 1 1 8 8 VAL N N 15 121.041 2.790 . 1 . . . . 20 VAL N . 19028 1 39 . 1 1 9 9 THR H H 1 8.046 1.105 . 1 . . . . 21 THR H . 19028 1 40 . 1 1 9 9 THR C C 13 175.175 0.000 . 1 . . . . 21 THR C . 19028 1 41 . 1 1 9 9 THR CA C 13 65.772 0.045 . 1 . . . . 21 THR CA . 19028 1 42 . 1 1 9 9 THR CB C 13 69.464 0.055 . 1 . . . . 21 THR CB . 19028 1 43 . 1 1 9 9 THR N N 15 115.397 2.562 . 1 . . . . 21 THR N . 19028 1 44 . 1 1 10 10 ASP H H 1 7.755 1.515 . 1 . . . . 22 ASP H . 19028 1 45 . 1 1 10 10 ASP CB C 13 37.940 0.000 . 1 . . . . 22 ASP CB . 19028 1 46 . 1 1 10 10 ASP N N 15 114.312 3.614 . 1 . . . . 22 ASP N . 19028 1 47 . 1 1 13 13 LYS C C 13 178.799 0.000 . 1 . . . . 25 LYS C . 19028 1 48 . 1 1 13 13 LYS CA C 13 58.058 0.000 . 1 . . . . 25 LYS CA . 19028 1 49 . 1 1 13 13 LYS CB C 13 32.760 0.000 . 1 . . . . 25 LYS CB . 19028 1 50 . 1 1 14 14 ILE H H 1 6.759 1.529 . 1 . . . . 26 ILE H . 19028 1 51 . 1 1 14 14 ILE C C 13 178.972 0.000 . 1 . . . . 26 ILE C . 19028 1 52 . 1 1 14 14 ILE CA C 13 64.548 0.059 . 1 . . . . 26 ILE CA . 19028 1 53 . 1 1 14 14 ILE CB C 13 38.208 0.042 . 1 . . . . 26 ILE CB . 19028 1 54 . 1 1 14 14 ILE N N 15 119.860 2.791 . 1 . . . . 26 ILE N . 19028 1 55 . 1 1 15 15 ILE H H 1 7.703 1.286 . 1 . . . . 27 ILE H . 19028 1 56 . 1 1 15 15 ILE C C 13 175.783 0.000 . 1 . . . . 27 ILE C . 19028 1 57 . 1 1 15 15 ILE CA C 13 66.058 0.034 . 1 . . . . 27 ILE CA . 19028 1 58 . 1 1 15 15 ILE CB C 13 39.518 0.021 . 1 . . . . 27 ILE CB . 19028 1 59 . 1 1 15 15 ILE N N 15 117.132 2.793 . 1 . . . . 27 ILE N . 19028 1 60 . 1 1 16 16 LYS H H 1 6.506 1.594 . 1 . . . . 28 LYS H . 19028 1 61 . 1 1 16 16 LYS C C 13 177.991 0.000 . 1 . . . . 28 LYS C . 19028 1 62 . 1 1 16 16 LYS CA C 13 60.374 0.043 . 1 . . . . 28 LYS CA . 19028 1 63 . 1 1 16 16 LYS CB C 13 33.723 0.035 . 1 . . . . 28 LYS CB . 19028 1 64 . 1 1 16 16 LYS N N 15 116.650 2.798 . 1 . . . . 28 LYS N . 19028 1 65 . 1 1 17 17 THR H H 1 7.624 1.307 . 1 . . . . 29 THR H . 19028 1 66 . 1 1 17 17 THR C C 13 176.726 0.000 . 1 . . . . 29 THR C . 19028 1 67 . 1 1 17 17 THR CA C 13 66.511 0.038 . 1 . . . . 29 THR CA . 19028 1 68 . 1 1 17 17 THR CB C 13 69.105 0.056 . 1 . . . . 29 THR CB . 19028 1 69 . 1 1 17 17 THR N N 15 111.164 2.794 . 1 . . . . 29 THR N . 19028 1 70 . 1 1 18 18 ALA H H 1 7.231 1.408 . 1 . . . . 30 ALA H . 19028 1 71 . 1 1 18 18 ALA C C 13 179.526 0.000 . 1 . . . . 30 ALA C . 19028 1 72 . 1 1 18 18 ALA CA C 13 55.045 0.028 . 1 . . . . 30 ALA CA . 19028 1 73 . 1 1 18 18 ALA CB C 13 20.172 0.035 . 1 . . . . 30 ALA CB . 19028 1 74 . 1 1 18 18 ALA N N 15 121.776 2.793 . 1 . . . . 30 ALA N . 19028 1 75 . 1 1 19 19 ARG H H 1 8.282 1.137 . 1 . . . . 31 ARG H . 19028 1 76 . 1 1 19 19 ARG C C 13 178.833 0.000 . 1 . . . . 31 ARG C . 19028 1 77 . 1 1 19 19 ARG CA C 13 60.915 0.019 . 1 . . . . 31 ARG CA . 19028 1 78 . 1 1 19 19 ARG CB C 13 28.437 0.040 . 1 . . . . 31 ARG CB . 19028 1 79 . 1 1 19 19 ARG N N 15 117.358 2.794 . 1 . . . . 31 ARG N . 19028 1 80 . 1 1 20 20 GLU H H 1 7.862 1.299 . 1 . . . . 32 GLU H . 19028 1 81 . 1 1 20 20 GLU C C 13 180.868 0.000 . 1 . . . . 32 GLU C . 19028 1 82 . 1 1 20 20 GLU CA C 13 59.596 0.007 . 1 . . . . 32 GLU CA . 19028 1 83 . 1 1 20 20 GLU CB C 13 29.245 0.085 . 1 . . . . 32 GLU CB . 19028 1 84 . 1 1 20 20 GLU N N 15 115.861 2.957 . 1 . . . . 32 GLU N . 19028 1 85 . 1 1 21 21 GLN H H 1 7.765 1.270 . 1 . . . . 33 GLN H . 19028 1 86 . 1 1 21 21 GLN C C 13 178.181 0.000 . 1 . . . . 33 GLN C . 19028 1 87 . 1 1 21 21 GLN CA C 13 58.958 0.050 . 1 . . . . 33 GLN CA . 19028 1 88 . 1 1 21 21 GLN CB C 13 28.311 0.075 . 1 . . . . 33 GLN CB . 19028 1 89 . 1 1 21 21 GLN N N 15 119.271 2.775 . 1 . . . . 33 GLN N . 19028 1 90 . 1 1 22 22 LEU H H 1 7.279 1.293 . 1 . . . . 34 LEU H . 19028 1 91 . 1 1 22 22 LEU C C 13 177.794 0.000 . 1 . . . . 34 LEU C . 19028 1 92 . 1 1 22 22 LEU CA C 13 55.377 0.055 . 1 . . . . 34 LEU CA . 19028 1 93 . 1 1 22 22 LEU CB C 13 43.132 0.032 . 1 . . . . 34 LEU CB . 19028 1 94 . 1 1 22 22 LEU N N 15 117.146 2.497 . 1 . . . . 34 LEU N . 19028 1 95 . 1 1 23 23 GLY H H 1 7.310 1.447 . 1 . . . . 35 GLY H . 19028 1 96 . 1 1 23 23 GLY C C 13 174.537 0.000 . 1 . . . . 35 GLY C . 19028 1 97 . 1 1 23 23 GLY CA C 13 46.304 0.013 . 1 . . . . 35 GLY CA . 19028 1 98 . 1 1 23 23 GLY N N 15 106.920 2.955 . 1 . . . . 35 GLY N . 19028 1 99 . 1 1 24 24 ILE H H 1 6.588 1.715 . 1 . . . . 36 ILE H . 19028 1 100 . 1 1 24 24 ILE C C 13 175.653 0.000 . 1 . . . . 36 ILE C . 19028 1 101 . 1 1 24 24 ILE CA C 13 59.852 0.031 . 1 . . . . 36 ILE CA . 19028 1 102 . 1 1 24 24 ILE CB C 13 40.467 0.022 . 1 . . . . 36 ILE CB . 19028 1 103 . 1 1 24 24 ILE N N 15 115.895 3.148 . 1 . . . . 36 ILE N . 19028 1 104 . 1 1 25 25 SER H H 1 8.657 1.040 . 1 . . . . 37 SER H . 19028 1 105 . 1 1 25 25 SER C C 13 175.828 0.000 . 1 . . . . 37 SER C . 19028 1 106 . 1 1 25 25 SER CA C 13 57.660 0.023 . 1 . . . . 37 SER CA . 19028 1 107 . 1 1 25 25 SER CB C 13 65.660 0.000 . 1 . . . . 37 SER CB . 19028 1 108 . 1 1 25 25 SER N N 15 122.033 2.792 . 1 . . . . 37 SER N . 19028 1 109 . 1 1 26 26 GLN H H 1 9.067 0.936 . 1 . . . . 38 GLN H . 19028 1 110 . 1 1 26 26 GLN C C 13 178.135 0.000 . 1 . . . . 38 GLN C . 19028 1 111 . 1 1 26 26 GLN CA C 13 61.008 0.040 . 1 . . . . 38 GLN CA . 19028 1 112 . 1 1 26 26 GLN CB C 13 28.086 0.042 . 1 . . . . 38 GLN CB . 19028 1 113 . 1 1 26 26 GLN N N 15 119.459 2.780 . 1 . . . . 38 GLN N . 19028 1 114 . 1 1 27 27 GLN H H 1 8.196 1.156 . 1 . . . . 39 GLN H . 19028 1 115 . 1 1 27 27 GLN C C 13 178.025 0.000 . 1 . . . . 39 GLN C . 19028 1 116 . 1 1 27 27 GLN CA C 13 59.699 0.079 . 1 . . . . 39 GLN CA . 19028 1 117 . 1 1 27 27 GLN CB C 13 28.060 0.087 . 1 . . . . 39 GLN CB . 19028 1 118 . 1 1 27 27 GLN N N 15 117.335 2.796 . 1 . . . . 39 GLN N . 19028 1 119 . 1 1 28 28 GLN H H 1 7.605 1.312 . 1 . . . . 40 GLN H . 19028 1 120 . 1 1 28 28 GLN C C 13 179.359 0.000 . 1 . . . . 40 GLN C . 19028 1 121 . 1 1 28 28 GLN CA C 13 58.933 0.038 . 1 . . . . 40 GLN CA . 19028 1 122 . 1 1 28 28 GLN CB C 13 29.018 0.015 . 1 . . . . 40 GLN CB . 19028 1 123 . 1 1 28 28 GLN N N 15 118.846 2.794 . 1 . . . . 40 GLN N . 19028 1 124 . 1 1 29 29 LEU H H 1 7.817 1.258 . 1 . . . . 41 LEU H . 19028 1 125 . 1 1 29 29 LEU C C 13 177.480 0.000 . 1 . . . . 41 LEU C . 19028 1 126 . 1 1 29 29 LEU CA C 13 57.882 0.059 . 1 . . . . 41 LEU CA . 19028 1 127 . 1 1 29 29 LEU CB C 13 41.285 0.019 . 1 . . . . 41 LEU CB . 19028 1 128 . 1 1 29 29 LEU N N 15 118.982 2.795 . 1 . . . . 41 LEU N . 19028 1 129 . 1 1 30 30 ALA H H 1 7.861 1.246 . 1 . . . . 42 ALA H . 19028 1 130 . 1 1 30 30 ALA C C 13 179.387 0.000 . 1 . . . . 42 ALA C . 19028 1 131 . 1 1 30 30 ALA CA C 13 55.530 0.076 . 1 . . . . 42 ALA CA . 19028 1 132 . 1 1 30 30 ALA CB C 13 16.970 0.013 . 1 . . . . 42 ALA CB . 19028 1 133 . 1 1 30 30 ALA N N 15 120.081 2.796 . 1 . . . . 42 ALA N . 19028 1 134 . 1 1 31 31 GLN H H 1 7.432 1.417 . 1 . . . . 43 GLN H . 19028 1 135 . 1 1 31 31 GLN C C 13 179.958 0.000 . 1 . . . . 43 GLN C . 19028 1 136 . 1 1 31 31 GLN CA C 13 59.134 0.031 . 1 . . . . 43 GLN CA . 19028 1 137 . 1 1 31 31 GLN CB C 13 28.156 0.073 . 1 . . . . 43 GLN CB . 19028 1 138 . 1 1 31 31 GLN N N 15 115.289 2.968 . 1 . . . . 43 GLN N . 19028 1 139 . 1 1 32 32 LYS H H 1 7.115 1.500 . 1 . . . . 44 LYS H . 19028 1 140 . 1 1 32 32 LYS C C 13 178.071 0.000 . 1 . . . . 44 LYS C . 19028 1 141 . 1 1 32 32 LYS CA C 13 59.131 0.019 . 1 . . . . 44 LYS CA . 19028 1 142 . 1 1 32 32 LYS CB C 13 33.056 0.040 . 1 . . . . 44 LYS CB . 19028 1 143 . 1 1 32 32 LYS N N 15 117.739 2.959 . 1 . . . . 44 LYS N . 19028 1 144 . 1 1 33 33 LEU H H 1 7.257 1.353 . 1 . . . . 45 LEU H . 19028 1 145 . 1 1 33 33 LEU C C 13 175.498 0.000 . 1 . . . . 45 LEU C . 19028 1 146 . 1 1 33 33 LEU CA C 13 55.033 0.017 . 1 . . . . 45 LEU CA . 19028 1 147 . 1 1 33 33 LEU CB C 13 44.519 0.006 . 1 . . . . 45 LEU CB . 19028 1 148 . 1 1 33 33 LEU N N 15 117.043 2.651 . 1 . . . . 45 LEU N . 19028 1 149 . 1 1 34 34 LYS H H 1 7.472 1.345 . 1 . . . . 46 LYS H . 19028 1 150 . 1 1 34 34 LYS C C 13 176.250 0.000 . 1 . . . . 46 LYS C . 19028 1 151 . 1 1 34 34 LYS CA C 13 57.469 0.073 . 1 . . . . 46 LYS CA . 19028 1 152 . 1 1 34 34 LYS CB C 13 28.896 0.023 . 1 . . . . 46 LYS CB . 19028 1 153 . 1 1 34 34 LYS N N 15 115.301 2.776 . 1 . . . . 46 LYS N . 19028 1 154 . 1 1 35 35 VAL H H 1 7.428 1.357 . 1 . . . . 47 VAL H . 19028 1 155 . 1 1 35 35 VAL C C 13 174.704 0.000 . 1 . . . . 47 VAL C . 19028 1 156 . 1 1 35 35 VAL CA C 13 58.327 0.019 . 1 . . . . 47 VAL CA . 19028 1 157 . 1 1 35 35 VAL CB C 13 35.683 0.016 . 1 . . . . 47 VAL CB . 19028 1 158 . 1 1 35 35 VAL N N 15 109.116 2.793 . 1 . . . . 47 VAL N . 19028 1 159 . 1 1 36 36 SER H H 1 7.309 1.330 . 1 . . . . 48 SER H . 19028 1 160 . 1 1 36 36 SER C C 13 176.137 0.000 . 1 . . . . 48 SER C . 19028 1 161 . 1 1 36 36 SER CA C 13 57.524 0.000 . 1 . . . . 48 SER CA . 19028 1 162 . 1 1 36 36 SER CB C 13 64.635 0.000 . 1 . . . . 48 SER CB . 19028 1 163 . 1 1 36 36 SER N N 15 113.622 0.002 . 1 . . . . 48 SER N . 19028 1 164 . 1 1 38 38 ASN C C 13 177.001 0.000 . 1 . . . . 50 ASN C . 19028 1 165 . 1 1 38 38 ASN CA C 13 56.479 0.000 . 1 . . . . 50 ASN CA . 19028 1 166 . 1 1 38 38 ASN CB C 13 38.419 0.000 . 1 . . . . 50 ASN CB . 19028 1 167 . 1 1 39 39 ILE H H 1 6.912 1.431 . 1 . . . . 51 ILE H . 19028 1 168 . 1 1 39 39 ILE C C 13 176.783 0.006 . 1 . . . . 51 ILE C . 19028 1 169 . 1 1 39 39 ILE CA C 13 63.159 0.030 . 1 . . . . 51 ILE CA . 19028 1 170 . 1 1 39 39 ILE CB C 13 35.142 0.092 . 1 . . . . 51 ILE CB . 19028 1 171 . 1 1 39 39 ILE N N 15 119.242 2.653 . 1 . . . . 51 ILE N . 19028 1 172 . 1 1 40 40 VAL H H 1 5.893 1.754 . 1 . . . . 52 VAL H . 19028 1 173 . 1 1 40 40 VAL C C 13 177.747 0.000 . 1 . . . . 52 VAL C . 19028 1 174 . 1 1 40 40 VAL CA C 13 67.056 0.048 . 1 . . . . 52 VAL CA . 19028 1 175 . 1 1 40 40 VAL CB C 13 31.354 0.080 . 1 . . . . 52 VAL CB . 19028 1 176 . 1 1 40 40 VAL N N 15 116.521 2.792 . 1 . . . . 52 VAL N . 19028 1 177 . 1 1 41 41 LYS H H 1 7.529 1.332 . 1 . . . . 53 LYS H . 19028 1 178 . 1 1 41 41 LYS C C 13 180.155 0.000 . 1 . . . . 53 LYS C . 19028 1 179 . 1 1 41 41 LYS CA C 13 60.624 0.062 . 1 . . . . 53 LYS CA . 19028 1 180 . 1 1 41 41 LYS CB C 13 32.375 0.058 . 1 . . . . 53 LYS CB . 19028 1 181 . 1 1 41 41 LYS N N 15 116.820 2.795 . 1 . . . . 53 LYS N . 19028 1 182 . 1 1 42 42 ARG H H 1 7.278 1.396 . 1 . . . . 54 ARG H . 19028 1 183 . 1 1 42 42 ARG C C 13 179.645 0.000 . 1 . . . . 54 ARG C . 19028 1 184 . 1 1 42 42 ARG CA C 13 59.754 0.052 . 1 . . . . 54 ARG CA . 19028 1 185 . 1 1 42 42 ARG CB C 13 31.085 0.081 . 1 . . . . 54 ARG CB . 19028 1 186 . 1 1 42 42 ARG N N 15 118.565 2.794 . 1 . . . . 54 ARG N . 19028 1 187 . 1 1 43 43 PHE H H 1 8.249 1.145 . 1 . . . . 55 PHE H . 19028 1 188 . 1 1 43 43 PHE C C 13 179.682 0.000 . 1 . . . . 55 PHE C . 19028 1 189 . 1 1 43 43 PHE CA C 13 57.083 0.041 . 1 . . . . 55 PHE CA . 19028 1 190 . 1 1 43 43 PHE CB C 13 38.398 0.005 . 1 . . . . 55 PHE CB . 19028 1 191 . 1 1 43 43 PHE N N 15 119.932 2.795 . 1 . . . . 55 PHE N . 19028 1 192 . 1 1 44 44 GLU H H 1 7.525 1.333 . 1 . . . . 56 GLU H . 19028 1 193 . 1 1 44 44 GLU C C 13 177.320 0.000 . 1 . . . . 56 GLU C . 19028 1 194 . 1 1 44 44 GLU CA C 13 59.556 0.047 . 1 . . . . 56 GLU CA . 19028 1 195 . 1 1 44 44 GLU CB C 13 30.010 0.096 . 1 . . . . 56 GLU CB . 19028 1 196 . 1 1 44 44 GLU N N 15 112.937 2.793 . 1 . . . . 56 GLU N . 19028 1 197 . 1 1 45 45 SER H H 1 7.481 1.345 . 1 . . . . 57 SER H . 19028 1 198 . 1 1 45 45 SER C C 13 175.530 0.000 . 1 . . . . 57 SER C . 19028 1 199 . 1 1 45 45 SER CA C 13 57.701 0.046 . 1 . . . . 57 SER CA . 19028 1 200 . 1 1 45 45 SER CB C 13 64.220 0.066 . 1 . . . . 57 SER CB . 19028 1 201 . 1 1 45 45 SER N N 15 110.659 2.815 . 1 . . . . 57 SER N . 19028 1 202 . 1 1 46 46 GLY H H 1 7.171 1.485 . 1 . . . . 58 GLY H . 19028 1 203 . 1 1 46 46 GLY C C 13 174.115 0.000 . 1 . . . . 58 GLY C . 19028 1 204 . 1 1 46 46 GLY CA C 13 45.835 0.029 . 1 . . . . 58 GLY CA . 19028 1 205 . 1 1 46 46 GLY N N 15 108.571 2.956 . 1 . . . . 58 GLY N . 19028 1 206 . 1 1 47 47 LYS H H 1 7.293 1.519 . 1 . . . . 59 LYS H . 19028 1 207 . 1 1 47 47 LYS C C 13 175.524 0.000 . 1 . . . . 59 LYS C . 19028 1 208 . 1 1 47 47 LYS CA C 13 55.789 0.102 . 1 . . . . 59 LYS CA . 19028 1 209 . 1 1 47 47 LYS CB C 13 33.501 0.065 . 1 . . . . 59 LYS CB . 19028 1 210 . 1 1 47 47 LYS N N 15 115.268 3.153 . 1 . . . . 59 LYS N . 19028 1 211 . 1 1 48 48 LEU H H 1 6.821 1.513 . 1 . . . . 60 LEU H . 19028 1 212 . 1 1 48 48 LEU C C 13 173.934 0.000 . 1 . . . . 60 LEU C . 19028 1 213 . 1 1 48 48 LEU CA C 13 54.203 0.077 . 1 . . . . 60 LEU CA . 19028 1 214 . 1 1 48 48 LEU CB C 13 47.407 0.059 . 1 . . . . 60 LEU CB . 19028 1 215 . 1 1 48 48 LEU N N 15 120.529 2.793 . 1 . . . . 60 LEU N . 19028 1 216 . 1 1 49 49 LYS H H 1 8.115 1.182 . 1 . . . . 61 LYS H . 19028 1 217 . 1 1 49 49 LYS C C 13 174.751 0.000 . 1 . . . . 61 LYS C . 19028 1 218 . 1 1 49 49 LYS CA C 13 53.862 0.000 . 1 . . . . 61 LYS CA . 19028 1 219 . 1 1 49 49 LYS CB C 13 33.256 0.000 . 1 . . . . 61 LYS CB . 19028 1 220 . 1 1 49 49 LYS N N 15 125.965 2.813 . 1 . . . . 61 LYS N . 19028 1 221 . 1 1 50 50 PRO C C 13 176.076 0.000 . 1 . . . . 62 PRO C . 19028 1 222 . 1 1 50 50 PRO CA C 13 62.013 0.041 . 1 . . . . 62 PRO CA . 19028 1 223 . 1 1 50 50 PRO CB C 13 31.346 0.032 . 1 . . . . 62 PRO CB . 19028 1 224 . 1 1 51 51 THR H H 1 7.902 1.235 . 1 . . . . 63 THR H . 19028 1 225 . 1 1 51 51 THR C C 13 175.244 0.000 . 1 . . . . 63 THR C . 19028 1 226 . 1 1 51 51 THR CA C 13 61.260 0.060 . 1 . . . . 63 THR CA . 19028 1 227 . 1 1 51 51 THR CB C 13 70.690 0.054 . 1 . . . . 63 THR CB . 19028 1 228 . 1 1 51 51 THR N N 15 110.481 2.795 . 1 . . . . 63 THR N . 19028 1 229 . 1 1 52 52 ILE H H 1 8.286 1.136 . 1 . . . . 64 ILE H . 19028 1 230 . 1 1 52 52 ILE C C 13 178.001 0.000 . 1 . . . . 64 ILE C . 19028 1 231 . 1 1 52 52 ILE CA C 13 63.979 0.013 . 1 . . . . 64 ILE CA . 19028 1 232 . 1 1 52 52 ILE CB C 13 35.290 0.098 . 1 . . . . 64 ILE CB . 19028 1 233 . 1 1 52 52 ILE N N 15 119.782 2.792 . 1 . . . . 64 ILE N . 19028 1 234 . 1 1 53 53 SER H H 1 7.829 1.310 . 1 . . . . 65 SER H . 19028 1 235 . 1 1 53 53 SER C C 13 178.551 0.000 . 1 . . . . 65 SER C . 19028 1 236 . 1 1 53 53 SER CA C 13 62.483 0.036 . 1 . . . . 65 SER CA . 19028 1 237 . 1 1 53 53 SER N N 15 112.164 2.948 . 1 . . . . 65 SER N . 19028 1 238 . 1 1 54 54 GLN H H 1 6.970 1.609 . 1 . . . . 66 GLN H . 19028 1 239 . 1 1 54 54 GLN C C 13 178.554 0.000 . 1 . . . . 66 GLN C . 19028 1 240 . 1 1 54 54 GLN CA C 13 58.575 0.010 . 1 . . . . 66 GLN CA . 19028 1 241 . 1 1 54 54 GLN CB C 13 28.859 0.028 . 1 . . . . 66 GLN CB . 19028 1 242 . 1 1 54 54 GLN N N 15 119.726 3.147 . 1 . . . . 66 GLN N . 19028 1 243 . 1 1 55 55 ALA H H 1 8.865 0.986 . 1 . . . . 67 ALA H . 19028 1 244 . 1 1 55 55 ALA C C 13 179.328 0.000 . 1 . . . . 67 ALA C . 19028 1 245 . 1 1 55 55 ALA CA C 13 54.973 0.069 . 1 . . . . 67 ALA CA . 19028 1 246 . 1 1 55 55 ALA CB C 13 18.312 0.050 . 1 . . . . 67 ALA CB . 19028 1 247 . 1 1 55 55 ALA N N 15 120.709 2.794 . 1 . . . . 67 ALA N . 19028 1 248 . 1 1 56 56 ARG H H 1 8.072 1.191 . 1 . . . . 68 ARG H . 19028 1 249 . 1 1 56 56 ARG C C 13 179.896 0.000 . 1 . . . . 68 ARG C . 19028 1 250 . 1 1 56 56 ARG CA C 13 58.488 0.056 . 1 . . . . 68 ARG CA . 19028 1 251 . 1 1 56 56 ARG CB C 13 29.751 0.055 . 1 . . . . 68 ARG CB . 19028 1 252 . 1 1 56 56 ARG N N 15 115.534 2.795 . 1 . . . . 68 ARG N . 19028 1 253 . 1 1 57 57 GLN H H 1 6.936 1.484 . 1 . . . . 69 GLN H . 19028 1 254 . 1 1 57 57 GLN C C 13 178.865 0.000 . 1 . . . . 69 GLN C . 19028 1 255 . 1 1 57 57 GLN CA C 13 59.237 0.030 . 1 . . . . 69 GLN CA . 19028 1 256 . 1 1 57 57 GLN CB C 13 28.990 0.002 . 1 . . . . 69 GLN CB . 19028 1 257 . 1 1 57 57 GLN N N 15 117.773 2.792 . 1 . . . . 69 GLN N . 19028 1 258 . 1 1 58 58 LEU H H 1 8.035 1.156 . 1 . . . . 70 LEU H . 19028 1 259 . 1 1 58 58 LEU C C 13 178.473 0.000 . 1 . . . . 70 LEU C . 19028 1 260 . 1 1 58 58 LEU CA C 13 58.731 0.081 . 1 . . . . 70 LEU CA . 19028 1 261 . 1 1 58 58 LEU CB C 13 43.207 0.090 . 1 . . . . 70 LEU CB . 19028 1 262 . 1 1 58 58 LEU N N 15 118.993 2.791 . 1 . . . . 70 LEU N . 19028 1 263 . 1 1 59 59 GLU H H 1 8.281 1.051 . 1 . . . . 71 GLU H . 19028 1 264 . 1 1 59 59 GLU C C 13 179.631 0.000 . 1 . . . . 71 GLU C . 19028 1 265 . 1 1 59 59 GLU CA C 13 60.111 0.029 . 1 . . . . 71 GLU CA . 19028 1 266 . 1 1 59 59 GLU CB C 13 30.200 0.016 . 1 . . . . 71 GLU CB . 19028 1 267 . 1 1 59 59 GLU N N 15 117.445 2.509 . 1 . . . . 71 GLU N . 19028 1 268 . 1 1 60 60 LYS H H 1 6.562 1.580 . 1 . . . . 72 LYS H . 19028 1 269 . 1 1 60 60 LYS C C 13 178.968 0.000 . 1 . . . . 72 LYS C . 19028 1 270 . 1 1 60 60 LYS CA C 13 58.508 0.045 . 1 . . . . 72 LYS CA . 19028 1 271 . 1 1 60 60 LYS CB C 13 32.597 0.069 . 1 . . . . 72 LYS CB . 19028 1 272 . 1 1 60 60 LYS N N 15 116.253 2.785 . 1 . . . . 72 LYS N . 19028 1 273 . 1 1 61 61 ILE H H 1 7.737 1.279 . 1 . . . . 73 ILE H . 19028 1 274 . 1 1 61 61 ILE C C 13 177.435 0.000 . 1 . . . . 73 ILE C . 19028 1 275 . 1 1 61 61 ILE CA C 13 64.656 0.048 . 1 . . . . 73 ILE CA . 19028 1 276 . 1 1 61 61 ILE CB C 13 40.090 0.063 . 1 . . . . 73 ILE CB . 19028 1 277 . 1 1 61 61 ILE N N 15 117.521 2.795 . 1 . . . . 73 ILE N . 19028 1 278 . 1 1 62 62 LEU H H 1 7.803 1.260 . 1 . . . . 74 LEU H . 19028 1 279 . 1 1 62 62 LEU C C 13 176.320 0.000 . 1 . . . . 74 LEU C . 19028 1 280 . 1 1 62 62 LEU CA C 13 54.202 0.017 . 1 . . . . 74 LEU CA . 19028 1 281 . 1 1 62 62 LEU CB C 13 42.777 0.060 . 1 . . . . 74 LEU CB . 19028 1 282 . 1 1 62 62 LEU N N 15 112.369 2.796 . 1 . . . . 74 LEU N . 19028 1 283 . 1 1 63 63 GLY H H 1 7.098 1.505 . 1 . . . . 75 GLY H . 19028 1 284 . 1 1 63 63 GLY C C 13 174.900 0.000 . 1 . . . . 75 GLY C . 19028 1 285 . 1 1 63 63 GLY CA C 13 47.438 0.049 . 1 . . . . 75 GLY CA . 19028 1 286 . 1 1 63 63 GLY N N 15 108.459 2.955 . 1 . . . . 75 GLY N . 19028 1 287 . 1 1 64 64 ILE H H 1 6.399 1.633 . 1 . . . . 76 ILE H . 19028 1 288 . 1 1 64 64 ILE C C 13 174.343 0.000 . 1 . . . . 76 ILE C . 19028 1 289 . 1 1 64 64 ILE CA C 13 58.772 0.041 . 1 . . . . 76 ILE CA . 19028 1 290 . 1 1 64 64 ILE CB C 13 41.551 0.037 . 1 . . . . 76 ILE CB . 19028 1 291 . 1 1 64 64 ILE N N 15 108.225 2.815 . 1 . . . . 76 ILE N . 19028 1 292 . 1 1 65 65 LYS H H 1 7.710 1.285 . 1 . . . . 77 LYS H . 19028 1 293 . 1 1 65 65 LYS C C 13 175.418 0.000 . 1 . . . . 77 LYS C . 19028 1 294 . 1 1 65 65 LYS CA C 13 54.776 0.032 . 1 . . . . 77 LYS CA . 19028 1 295 . 1 1 65 65 LYS CB C 13 33.418 0.043 . 1 . . . . 77 LYS CB . 19028 1 296 . 1 1 65 65 LYS N N 15 118.028 2.795 . 1 . . . . 77 LYS N . 19028 1 297 . 1 1 66 66 LEU H H 1 10.636 0.554 . 1 . . . . 78 LEU H . 19028 1 298 . 1 1 66 66 LEU C C 13 175.221 0.000 . 1 . . . . 78 LEU C . 19028 1 299 . 1 1 66 66 LEU CA C 13 54.551 0.000 . 1 . . . . 78 LEU CA . 19028 1 300 . 1 1 66 66 LEU CB C 13 48.281 0.009 . 1 . . . . 78 LEU CB . 19028 1 301 . 1 1 66 66 LEU N N 15 120.924 2.948 . 1 . . . . 78 LEU N . 19028 1 302 . 1 1 67 67 VAL H H 1 6.790 1.661 . 1 . . . . 79 VAL H . 19028 1 303 . 1 1 67 67 VAL C C 13 175.352 0.000 . 1 . . . . 79 VAL C . 19028 1 304 . 1 1 67 67 VAL CA C 13 61.562 0.035 . 1 . . . . 79 VAL CA . 19028 1 305 . 1 1 67 67 VAL CB C 13 33.100 0.061 . 1 . . . . 79 VAL CB . 19028 1 306 . 1 1 67 67 VAL N N 15 118.236 3.150 . 1 . . . . 79 VAL N . 19028 1 307 . 1 1 68 68 THR H H 1 8.393 1.208 . 1 . . . . 80 THR H . 19028 1 308 . 1 1 68 68 THR C C 13 181.419 0.000 . 1 . . . . 80 THR C . 19028 1 309 . 1 1 68 68 THR CA C 13 58.139 0.000 . 1 . . . . 80 THR CA . 19028 1 310 . 1 1 68 68 THR CB C 13 69.736 0.000 . 1 . . . . 80 THR CB . 19028 1 311 . 1 1 68 68 THR N N 15 118.983 3.148 . 1 . . . . 80 THR N . 19028 1 312 . 1 1 76 76 SER H H 1 7.742 1.276 . 1 . . . . 88 SER H . 19028 1 313 . 1 1 76 76 SER C C 13 174.625 0.000 . 1 . . . . 88 SER C . 19028 1 314 . 1 1 76 76 SER CA C 13 58.706 0.046 . 1 . . . . 88 SER CA . 19028 1 315 . 1 1 76 76 SER CB C 13 64.014 0.086 . 1 . . . . 88 SER CB . 19028 1 316 . 1 1 76 76 SER N N 15 115.445 2.793 . 1 . . . . 88 SER N . 19028 1 317 . 1 1 77 77 GLU H H 1 7.983 1.164 . 1 . . . . 89 GLU H . 19028 1 318 . 1 1 77 77 GLU CA C 13 56.661 0.000 . 1 . . . . 89 GLU CA . 19028 1 319 . 1 1 77 77 GLU CB C 13 30.272 0.000 . 1 . . . . 89 GLU CB . 19028 1 320 . 1 1 77 77 GLU N N 15 121.734 2.539 . 1 . . . . 89 GLU N . 19028 1 321 . 1 1 82 82 ASP C C 13 177.003 0.000 . 1 . . . . 94 ASP C . 19028 1 322 . 1 1 82 82 ASP CA C 13 54.275 0.000 . 1 . . . . 94 ASP CA . 19028 1 323 . 1 1 82 82 ASP CB C 13 41.044 0.000 . 1 . . . . 94 ASP CB . 19028 1 324 . 1 1 83 83 THR H H 1 7.754 1.273 . 1 . . . . 95 THR H . 19028 1 325 . 1 1 83 83 THR C C 13 175.772 0.000 . 1 . . . . 95 THR C . 19028 1 326 . 1 1 83 83 THR CA C 13 63.165 0.023 . 1 . . . . 95 THR CA . 19028 1 327 . 1 1 83 83 THR CB C 13 69.670 0.081 . 1 . . . . 95 THR CB . 19028 1 328 . 1 1 83 83 THR N N 15 112.886 2.792 . 1 . . . . 95 THR N . 19028 1 329 . 1 1 84 84 GLY H H 1 7.915 1.285 . 1 . . . . 96 GLY H . 19028 1 330 . 1 1 84 84 GLY C C 13 174.246 0.000 . 1 . . . . 96 GLY C . 19028 1 331 . 1 1 84 84 GLY CA C 13 45.627 0.004 . 1 . . . . 96 GLY CA . 19028 1 332 . 1 1 84 84 GLY N N 15 109.598 2.957 . 1 . . . . 96 GLY N . 19028 1 333 . 1 1 85 85 LEU H H 1 7.255 1.530 . 1 . . . . 97 LEU H . 19028 1 334 . 1 1 85 85 LEU C C 13 177.615 0.000 . 1 . . . . 97 LEU C . 19028 1 335 . 1 1 85 85 LEU CA C 13 55.315 0.070 . 1 . . . . 97 LEU CA . 19028 1 336 . 1 1 85 85 LEU CB C 13 42.458 0.009 . 1 . . . . 97 LEU CB . 19028 1 337 . 1 1 85 85 LEU N N 15 119.900 3.150 . 1 . . . . 97 LEU N . 19028 1 338 . 1 1 86 86 THR H H 1 7.737 1.276 . 1 . . . . 98 THR H . 19028 1 339 . 1 1 86 86 THR C C 13 174.593 0.000 . 1 . . . . 98 THR C . 19028 1 340 . 1 1 86 86 THR CA C 13 61.917 0.045 . 1 . . . . 98 THR CA . 19028 1 341 . 1 1 86 86 THR CB C 13 69.942 0.122 . 1 . . . . 98 THR CB . 19028 1 342 . 1 1 86 86 THR N N 15 113.985 2.797 . 1 . . . . 98 THR N . 19028 1 343 . 1 1 87 87 LEU H H 1 7.772 1.268 . 1 . . . . 99 LEU H . 19028 1 344 . 1 1 87 87 LEU C C 13 177.782 0.000 . 1 . . . . 99 LEU C . 19028 1 345 . 1 1 87 87 LEU CA C 13 55.576 0.129 . 1 . . . . 99 LEU CA . 19028 1 346 . 1 1 87 87 LEU CB C 13 42.259 0.018 . 1 . . . . 99 LEU CB . 19028 1 347 . 1 1 87 87 LEU N N 15 123.458 2.803 . 1 . . . . 99 LEU N . 19028 1 348 . 1 1 88 88 GLY H H 1 7.749 1.330 . 1 . . . . 100 GLY H . 19028 1 349 . 1 1 88 88 GLY C C 13 175.989 0.000 . 1 . . . . 100 GLY C . 19028 1 350 . 1 1 88 88 GLY CA C 13 45.308 0.043 . 1 . . . . 100 GLY CA . 19028 1 351 . 1 1 88 88 GLY N N 15 107.714 2.956 . 1 . . . . 100 GLY N . 19028 1 352 . 1 1 89 89 ASP H H 1 7.505 1.460 . 1 . . . . 101 ASP H . 19028 1 353 . 1 1 89 89 ASP C C 13 175.094 0.000 . 1 . . . . 101 ASP C . 19028 1 354 . 1 1 89 89 ASP CA C 13 57.467 0.077 . 1 . . . . 101 ASP CA . 19028 1 355 . 1 1 89 89 ASP CB C 13 39.941 0.083 . 1 . . . . 101 ASP CB . 19028 1 356 . 1 1 89 89 ASP N N 15 119.046 3.157 . 1 . . . . 101 ASP N . 19028 1 357 . 1 1 90 90 VAL H H 1 7.828 1.201 . 1 . . . . 102 VAL H . 19028 1 358 . 1 1 90 90 VAL C C 13 176.051 0.000 . 1 . . . . 102 VAL C . 19028 1 359 . 1 1 90 90 VAL CA C 13 54.090 0.000 . 1 . . . . 102 VAL CA . 19028 1 360 . 1 1 90 90 VAL CB C 13 41.434 0.000 . 1 . . . . 102 VAL CB . 19028 1 361 . 1 1 90 90 VAL N N 15 121.450 2.655 . 1 . . . . 102 VAL N . 19028 1 362 . 1 1 94 94 LYS C C 13 176.224 0.000 . 1 . . . . 106 LYS C . 19028 1 363 . 1 1 94 94 LYS CA C 13 55.384 0.022 . 1 . . . . 106 LYS CA . 19028 1 364 . 1 1 94 94 LYS CB C 13 33.008 0.038 . 1 . . . . 106 LYS CB . 19028 1 365 . 1 1 95 95 GLU H H 1 8.032 1.203 . 1 . . . . 107 GLU H . 19028 1 366 . 1 1 95 95 GLU C C 13 176.887 0.000 . 1 . . . . 107 GLU C . 19028 1 367 . 1 1 95 95 GLU CA C 13 56.834 0.092 . 1 . . . . 107 GLU CA . 19028 1 368 . 1 1 95 95 GLU CB C 13 30.273 0.001 . 1 . . . . 107 GLU CB . 19028 1 369 . 1 1 95 95 GLU N N 15 121.031 2.790 . 1 . . . . 107 GLU N . 19028 1 370 . 1 1 96 96 GLY H H 1 7.564 1.512 . 1 . . . . 108 GLY H . 19028 1 371 . 1 1 96 96 GLY C C 13 174.033 0.000 . 1 . . . . 108 GLY C . 19028 1 372 . 1 1 96 96 GLY CA C 13 45.465 0.008 . 1 . . . . 108 GLY CA . 19028 1 373 . 1 1 96 96 GLY N N 15 107.817 3.374 . 1 . . . . 108 GLY N . 19028 1 374 . 1 1 97 97 LYS H H 1 8.071 0.005 . 1 . . . . 109 LYS H . 19028 1 375 . 1 1 97 97 LYS C C 13 176.327 0.000 . 1 . . . . 109 LYS C . 19028 1 376 . 1 1 97 97 LYS CA C 13 56.308 0.049 . 1 . . . . 109 LYS CA . 19028 1 377 . 1 1 97 97 LYS CB C 13 33.098 0.037 . 1 . . . . 109 LYS CB . 19028 1 378 . 1 1 97 97 LYS N N 15 120.745 0.030 . 1 . . . . 109 LYS N . 19028 1 379 . 1 1 98 98 LYS H H 1 7.855 1.249 . 1 . . . . 110 LYS H . 19028 1 380 . 1 1 98 98 LYS C C 13 173.823 0.000 . 1 . . . . 110 LYS C . 19028 1 381 . 1 1 98 98 LYS CA C 13 56.607 0.042 . 1 . . . . 110 LYS CA . 19028 1 382 . 1 1 98 98 LYS CB C 13 30.332 0.011 . 1 . . . . 110 LYS CB . 19028 1 383 . 1 1 98 98 LYS N N 15 120.740 2.788 . 1 . . . . 110 LYS N . 19028 1 384 . 1 1 99 99 LEU H H 1 7.668 1.297 . 1 . . . . 111 LEU H . 19028 1 385 . 1 1 99 99 LEU C C 13 176.394 0.000 . 1 . . . . 111 LEU C . 19028 1 386 . 1 1 99 99 LEU CA C 13 54.533 0.056 . 1 . . . . 111 LEU CA . 19028 1 387 . 1 1 99 99 LEU CB C 13 41.323 0.039 . 1 . . . . 111 LEU CB . 19028 1 388 . 1 1 99 99 LEU N N 15 119.398 2.764 . 1 . . . . 111 LEU N . 19028 1 389 . 1 1 100 100 GLU H H 1 7.505 1.338 . 1 . . . . 112 GLU H . 19028 1 390 . 1 1 100 100 GLU CA C 13 62.699 0.047 . 1 . . . . 112 GLU CA . 19028 1 391 . 1 1 100 100 GLU CB C 13 32.349 0.000 . 1 . . . . 112 GLU CB . 19028 1 392 . 1 1 100 100 GLU N N 15 118.611 2.798 . 1 . . . . 112 GLU N . 19028 1 stop_ save_