data_6917 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6917 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Pfu pop5 backbone assignments' 'Structure analysis' 'Backbone assignments of Pyrococcus furiosus Pop5 (PF1378), an archaeal RNase P protein.' 6917 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . Archaea 6917 1 . 'Backbone assignments' 6917 1 . 'RNase P' 6917 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6917 _Entry.Title ; Backbone assignments of Pyrococcus furiosus Pop5 (PF1378), an archaeal RNase P protein. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-12-05 _Entry.Accession_date 2005-12-06 _Entry.Last_release_date 2006-01-23 _Entry.Original_release_date 2006-01-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ross Wilson . C. . 6917 2 Mark Foster . P. . 6917 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6917 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 306 6917 '15N chemical shifts' 102 6917 '1H chemical shifts' 102 6917 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 . . 2006-01-23 2005-12-05 original author . 6917 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6917 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16418270 _Citation.Full_citation . _Citation.Title 'Structure of Pfu Pop5, an archaeal RNase P protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 103 _Citation.Journal_issue 4 _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 873 _Citation.Page_last 878 _Citation.Year 2006 _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 Ross Wilson . C. . 6917 1 2 C. Bohlen . J. . 6917 1 3 Mark Foster . P. . 6917 1 4 C Bell . E. . 6917 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Archaea 6917 1 'RNase P' 6917 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6917 _Assembly.ID 1 _Assembly.Name 'pop5 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 13708 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6917 1 stop_ 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 'pop5 monomer' 1 $Pfu_pop5 . . no native no no . . . 6917 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Pfu_pop5 _Entity.Sf_category entity _Entity.Sf_framecode Pfu_pop5 _Entity.Entry_ID 6917 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Pfu pop5' _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 ; MSERPKTLPPTLRDKKRYIA FKVISENQFNKDEIKEAIWN ACLRTLGELGTAKAKPWLIK FDETTQTGIIRSDRNHVYDV IFSLTLVSDINGNKAIIKVL GVSGTIKRLKRKFLSQFGWR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13708 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The protein studied included a C72S mutation that improved solubility. Also, the N-terminal Met was observed (via mass spectrometry) to have been removed during expression in E. coli. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 BMRB 17190 . Pop5 . . . . . 100.00 120 100.00 100.00 4.81e-81 . . . . 6917 1 2 no PDB 2AV5 . "Crystal Structure Of Pyrococcus Furiosus Pop5, An Archaeal Ribonuclease P Protein" . . . . . 100.00 120 100.00 100.00 4.81e-81 . . . . 6917 1 3 no GB AAL81502 . "hypothetical protein PF1378 [Pyrococcus furiosus DSM 3638]" . . . . . 100.00 120 99.17 99.17 3.70e-80 . . . . 6917 1 4 no GB AFN04159 . "ribonuclease P protein component 2 [Pyrococcus furiosus COM1]" . . . . . 100.00 120 99.17 99.17 3.70e-80 . . . . 6917 1 5 no REF NP_579107 . "ribonuclease P protein component 2 [Pyrococcus furiosus DSM 3638]" . . . . . 100.00 120 99.17 99.17 3.70e-80 . . . . 6917 1 6 no REF WP_011012525 . "ribonuclease P [Pyrococcus furiosus]" . . . . . 100.00 120 99.17 99.17 3.70e-80 . . . . 6917 1 7 no REF YP_006492451 . "ribonuclease P protein component 2 [Pyrococcus furiosus COM1]" . . . . . 100.00 120 99.17 99.17 3.70e-80 . . . . 6917 1 8 no SP Q8U151 . "RecName: Full=Ribonuclease P protein component 2; Short=RNase P component 2; AltName: Full=Pop5 [Pyrococcus furiosus DSM 3638]" . . . . . 100.00 120 99.17 99.17 3.70e-80 . . . . 6917 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6917 1 2 . SER . 6917 1 3 . GLU . 6917 1 4 . ARG . 6917 1 5 . PRO . 6917 1 6 . LYS . 6917 1 7 . THR . 6917 1 8 . LEU . 6917 1 9 . PRO . 6917 1 10 . PRO . 6917 1 11 . THR . 6917 1 12 . LEU . 6917 1 13 . ARG . 6917 1 14 . ASP . 6917 1 15 . LYS . 6917 1 16 . LYS . 6917 1 17 . ARG . 6917 1 18 . TYR . 6917 1 19 . ILE . 6917 1 20 . ALA . 6917 1 21 . PHE . 6917 1 22 . LYS . 6917 1 23 . VAL . 6917 1 24 . ILE . 6917 1 25 . SER . 6917 1 26 . GLU . 6917 1 27 . ASN . 6917 1 28 . GLN . 6917 1 29 . PHE . 6917 1 30 . ASN . 6917 1 31 . LYS . 6917 1 32 . ASP . 6917 1 33 . GLU . 6917 1 34 . ILE . 6917 1 35 . LYS . 6917 1 36 . GLU . 6917 1 37 . ALA . 6917 1 38 . ILE . 6917 1 39 . TRP . 6917 1 40 . ASN . 6917 1 41 . ALA . 6917 1 42 . CYS . 6917 1 43 . LEU . 6917 1 44 . ARG . 6917 1 45 . THR . 6917 1 46 . LEU . 6917 1 47 . GLY . 6917 1 48 . GLU . 6917 1 49 . LEU . 6917 1 50 . GLY . 6917 1 51 . THR . 6917 1 52 . ALA . 6917 1 53 . LYS . 6917 1 54 . ALA . 6917 1 55 . LYS . 6917 1 56 . PRO . 6917 1 57 . TRP . 6917 1 58 . LEU . 6917 1 59 . ILE . 6917 1 60 . LYS . 6917 1 61 . PHE . 6917 1 62 . ASP . 6917 1 63 . GLU . 6917 1 64 . THR . 6917 1 65 . THR . 6917 1 66 . GLN . 6917 1 67 . THR . 6917 1 68 . GLY . 6917 1 69 . ILE . 6917 1 70 . ILE . 6917 1 71 . ARG . 6917 1 72 . SER . 6917 1 73 . ASP . 6917 1 74 . ARG . 6917 1 75 . ASN . 6917 1 76 . HIS . 6917 1 77 . VAL . 6917 1 78 . TYR . 6917 1 79 . ASP . 6917 1 80 . VAL . 6917 1 81 . ILE . 6917 1 82 . PHE . 6917 1 83 . SER . 6917 1 84 . LEU . 6917 1 85 . THR . 6917 1 86 . LEU . 6917 1 87 . VAL . 6917 1 88 . SER . 6917 1 89 . ASP . 6917 1 90 . ILE . 6917 1 91 . ASN . 6917 1 92 . GLY . 6917 1 93 . ASN . 6917 1 94 . LYS . 6917 1 95 . ALA . 6917 1 96 . ILE . 6917 1 97 . ILE . 6917 1 98 . LYS . 6917 1 99 . VAL . 6917 1 100 . LEU . 6917 1 101 . GLY . 6917 1 102 . VAL . 6917 1 103 . SER . 6917 1 104 . GLY . 6917 1 105 . THR . 6917 1 106 . ILE . 6917 1 107 . LYS . 6917 1 108 . ARG . 6917 1 109 . LEU . 6917 1 110 . LYS . 6917 1 111 . ARG . 6917 1 112 . LYS . 6917 1 113 . PHE . 6917 1 114 . LEU . 6917 1 115 . SER . 6917 1 116 . GLN . 6917 1 117 . PHE . 6917 1 118 . GLY . 6917 1 119 . TRP . 6917 1 120 . ARG . 6917 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 6917 1 . SER 2 2 6917 1 . GLU 3 3 6917 1 . ARG 4 4 6917 1 . PRO 5 5 6917 1 . LYS 6 6 6917 1 . THR 7 7 6917 1 . LEU 8 8 6917 1 . PRO 9 9 6917 1 . PRO 10 10 6917 1 . THR 11 11 6917 1 . LEU 12 12 6917 1 . ARG 13 13 6917 1 . ASP 14 14 6917 1 . LYS 15 15 6917 1 . LYS 16 16 6917 1 . ARG 17 17 6917 1 . TYR 18 18 6917 1 . ILE 19 19 6917 1 . ALA 20 20 6917 1 . PHE 21 21 6917 1 . LYS 22 22 6917 1 . VAL 23 23 6917 1 . ILE 24 24 6917 1 . SER 25 25 6917 1 . GLU 26 26 6917 1 . ASN 27 27 6917 1 . GLN 28 28 6917 1 . PHE 29 29 6917 1 . ASN 30 30 6917 1 . LYS 31 31 6917 1 . ASP 32 32 6917 1 . GLU 33 33 6917 1 . ILE 34 34 6917 1 . LYS 35 35 6917 1 . GLU 36 36 6917 1 . ALA 37 37 6917 1 . ILE 38 38 6917 1 . TRP 39 39 6917 1 . ASN 40 40 6917 1 . ALA 41 41 6917 1 . CYS 42 42 6917 1 . LEU 43 43 6917 1 . ARG 44 44 6917 1 . THR 45 45 6917 1 . LEU 46 46 6917 1 . GLY 47 47 6917 1 . GLU 48 48 6917 1 . LEU 49 49 6917 1 . GLY 50 50 6917 1 . THR 51 51 6917 1 . ALA 52 52 6917 1 . LYS 53 53 6917 1 . ALA 54 54 6917 1 . LYS 55 55 6917 1 . PRO 56 56 6917 1 . TRP 57 57 6917 1 . LEU 58 58 6917 1 . ILE 59 59 6917 1 . LYS 60 60 6917 1 . PHE 61 61 6917 1 . ASP 62 62 6917 1 . GLU 63 63 6917 1 . THR 64 64 6917 1 . THR 65 65 6917 1 . GLN 66 66 6917 1 . THR 67 67 6917 1 . GLY 68 68 6917 1 . ILE 69 69 6917 1 . ILE 70 70 6917 1 . ARG 71 71 6917 1 . SER 72 72 6917 1 . ASP 73 73 6917 1 . ARG 74 74 6917 1 . ASN 75 75 6917 1 . HIS 76 76 6917 1 . VAL 77 77 6917 1 . TYR 78 78 6917 1 . ASP 79 79 6917 1 . VAL 80 80 6917 1 . ILE 81 81 6917 1 . PHE 82 82 6917 1 . SER 83 83 6917 1 . LEU 84 84 6917 1 . THR 85 85 6917 1 . LEU 86 86 6917 1 . VAL 87 87 6917 1 . SER 88 88 6917 1 . ASP 89 89 6917 1 . ILE 90 90 6917 1 . ASN 91 91 6917 1 . GLY 92 92 6917 1 . ASN 93 93 6917 1 . LYS 94 94 6917 1 . ALA 95 95 6917 1 . ILE 96 96 6917 1 . ILE 97 97 6917 1 . LYS 98 98 6917 1 . VAL 99 99 6917 1 . LEU 100 100 6917 1 . GLY 101 101 6917 1 . VAL 102 102 6917 1 . SER 103 103 6917 1 . GLY 104 104 6917 1 . THR 105 105 6917 1 . ILE 106 106 6917 1 . LYS 107 107 6917 1 . ARG 108 108 6917 1 . LEU 109 109 6917 1 . LYS 110 110 6917 1 . ARG 111 111 6917 1 . LYS 112 112 6917 1 . PHE 113 113 6917 1 . LEU 114 114 6917 1 . SER 115 115 6917 1 . GLN 116 116 6917 1 . PHE 117 117 6917 1 . GLY 118 118 6917 1 . TRP 119 119 6917 1 . ARG 120 120 6917 1 stop_ loop_ _Entity_citation.Citation_ID _Entity_citation.Citation_label _Entity_citation.Entry_ID _Entity_citation.Entity_ID 1 $citation_1 6917 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 6917 _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 $Pfu_pop5 . 2261 organism . 'Pyrococcus furiosus' 'Pyrococcus furiosus' . . Archaea . Pyrococcus furiosus 'DSM 3638' . . . . . . . . . . . . . . . . . . . . 6917 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 6917 _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 $Pfu_pop5 . 'recombinant technology' . 'E. coli' . 562 Escherichia coli BL21-DE3 . . . . . . . . . . . . . . . . . . . . . . 6917 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6917 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Pfu Pop5 in Acetate buffer with sodium azide as a preservative.' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Pfu pop5' '[U-95% 13C; U-95% 15N]' . . 1 $Pfu_pop5 . protein 0.3 . . mM . . . . 6917 1 2 'Sodium Acetate' . . . . . . buffer 10 . . mM . . . . 6917 1 3 'Potassium Chloride' . . . . . . salt 0.5 . . mM . . . . 6917 1 4 'Sodium Azide' . . . . . . 'antimicrobial agent' 0.05 . . mM . . . . 6917 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6917 _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 pH 5.0 0.2 pH 6917 1 temperature 328 1 K 6917 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 6917 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance DRX' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6917 _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 '1H15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6917 1 2 '1H1513C HNCO' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6917 1 3 '1H1513C HNCA' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6917 1 4 '1H1513C HNCACB' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6917 1 5 '1H1513C CBCACONH' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6917 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6917 _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 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . 1 $citation_1 . . 1 $citation_1 6917 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 6917 1 N 15 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 6917 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6917 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 6917 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 5 5 PRO C C 13 176.542 . . 1 . . . . 5 PRO C . 6917 1 2 . 1 1 5 5 PRO CA C 13 63.667 . . 1 . . . . 5 PRO CA . 6917 1 3 . 1 1 5 5 PRO CB C 13 32.778 . . 1 . . . . 5 PRO CB . 6917 1 4 . 1 1 6 6 LYS H H 1 8.235 . . 1 . . . . 6 LYS HN . 6917 1 5 . 1 1 6 6 LYS C C 13 176.367 . . 1 . . . . 6 LYS C . 6917 1 6 . 1 1 6 6 LYS CA C 13 57.060 . . 1 . . . . 6 LYS CA . 6917 1 7 . 1 1 6 6 LYS CB C 13 33.704 . . 1 . . . . 6 LYS CB . 6917 1 8 . 1 1 6 6 LYS N N 15 121.638 . . 1 . . . . 6 LYS N . 6917 1 9 . 1 1 7 7 THR H H 1 7.815 . . 1 . . . . 7 THR HN . 6917 1 10 . 1 1 7 7 THR C C 13 173.640 . . 1 . . . . 7 THR C . 6917 1 11 . 1 1 7 7 THR CA C 13 62.024 . . 1 . . . . 7 THR CA . 6917 1 12 . 1 1 7 7 THR CB C 13 70.667 . . 1 . . . . 7 THR CB . 6917 1 13 . 1 1 7 7 THR N N 15 115.139 . . 1 . . . . 7 THR N . 6917 1 14 . 1 1 8 8 LEU H H 1 8.098 . . 1 . . . . 8 LEU HN . 6917 1 15 . 1 1 8 8 LEU CA C 13 53.427 . . 1 . . . . 8 LEU CA . 6917 1 16 . 1 1 8 8 LEU CB C 13 42.331 . . 1 . . . . 8 LEU CB . 6917 1 17 . 1 1 8 8 LEU N N 15 126.292 . . 1 . . . . 8 LEU N . 6917 1 18 . 1 1 10 10 PRO C C 13 177.045 . . 1 . . . . 10 PRO C . 6917 1 19 . 1 1 10 10 PRO CA C 13 64.139 . . 1 . . . . 10 PRO CA . 6917 1 20 . 1 1 10 10 PRO CB C 13 32.555 . . 1 . . . . 10 PRO CB . 6917 1 21 . 1 1 11 11 THR H H 1 7.832 . . 1 . . . . 11 THR HN . 6917 1 22 . 1 1 11 11 THR C C 13 174.529 . . 1 . . . . 11 THR C . 6917 1 23 . 1 1 11 11 THR CA C 13 62.807 . . 1 . . . . 11 THR CA . 6917 1 24 . 1 1 11 11 THR CB C 13 70.191 . . 1 . . . . 11 THR CB . 6917 1 25 . 1 1 11 11 THR N N 15 112.500 . . 1 . . . . 11 THR N . 6917 1 26 . 1 1 12 12 LEU H H 1 7.921 . . 1 . . . . 12 LEU HN . 6917 1 27 . 1 1 12 12 LEU CA C 13 55.947 . . 1 . . . . 12 LEU CA . 6917 1 28 . 1 1 12 12 LEU CB C 13 43.033 . . 1 . . . . 12 LEU CB . 6917 1 29 . 1 1 12 12 LEU N N 15 123.702 . . 1 . . . . 12 LEU N . 6917 1 30 . 1 1 17 17 ARG CA C 13 54.174 . . 1 . . . . 17 ARG CA . 6917 1 31 . 1 1 18 18 TYR H H 1 8.479 . . 1 . . . . 18 TYR HN . 6917 1 32 . 1 1 18 18 TYR C C 13 173.517 . . 1 . . . . 18 TYR C . 6917 1 33 . 1 1 18 18 TYR CA C 13 57.403 . . 1 . . . . 18 TYR CA . 6917 1 34 . 1 1 18 18 TYR CB C 13 42.639 . . 1 . . . . 18 TYR CB . 6917 1 35 . 1 1 18 18 TYR N N 15 117.260 . . 1 . . . . 18 TYR N . 6917 1 36 . 1 1 19 19 ILE H H 1 9.409 . . 1 . . . . 19 ILE HN . 6917 1 37 . 1 1 19 19 ILE C C 13 175.489 . . 1 . . . . 19 ILE C . 6917 1 38 . 1 1 19 19 ILE CA C 13 60.601 . . 1 . . . . 19 ILE CA . 6917 1 39 . 1 1 19 19 ILE CB C 13 42.472 . . 1 . . . . 19 ILE CB . 6917 1 40 . 1 1 19 19 ILE N N 15 121.424 . . 1 . . . . 19 ILE N . 6917 1 41 . 1 1 20 20 ALA H H 1 8.584 . . 1 . . . . 20 ALA HN . 6917 1 42 . 1 1 20 20 ALA C C 13 176.232 . . 1 . . . . 20 ALA C . 6917 1 43 . 1 1 20 20 ALA CA C 13 50.261 . . 1 . . . . 20 ALA CA . 6917 1 44 . 1 1 20 20 ALA CB C 13 20.984 . . 1 . . . . 20 ALA CB . 6917 1 45 . 1 1 20 20 ALA N N 15 128.923 . . 1 . . . . 20 ALA N . 6917 1 46 . 1 1 21 21 PHE H H 1 8.460 . . 1 . . . . 21 PHE HN . 6917 1 47 . 1 1 21 21 PHE C C 13 170.262 . . 1 . . . . 21 PHE C . 6917 1 48 . 1 1 21 21 PHE CA C 13 56.394 . . 1 . . . . 21 PHE CA . 6917 1 49 . 1 1 21 21 PHE CB C 13 43.528 . . 1 . . . . 21 PHE CB . 6917 1 50 . 1 1 21 21 PHE N N 15 119.415 . . 1 . . . . 21 PHE N . 6917 1 51 . 1 1 22 22 LYS H H 1 8.970 . . 1 . . . . 22 LYS HN . 6917 1 52 . 1 1 22 22 LYS C C 13 174.126 . . 1 . . . . 22 LYS C . 6917 1 53 . 1 1 22 22 LYS CA C 13 54.587 . . 1 . . . . 22 LYS CA . 6917 1 54 . 1 1 22 22 LYS CB C 13 38.423 . . 1 . . . . 22 LYS CB . 6917 1 55 . 1 1 22 22 LYS N N 15 121.031 . . 1 . . . . 22 LYS N . 6917 1 56 . 1 1 23 23 VAL H H 1 8.861 . . 1 . . . . 23 VAL HN . 6917 1 57 . 1 1 23 23 VAL C C 13 174.809 . . 1 . . . . 23 VAL C . 6917 1 58 . 1 1 23 23 VAL CA C 13 62.710 . . 1 . . . . 23 VAL CA . 6917 1 59 . 1 1 23 23 VAL CB C 13 33.407 . . 1 . . . . 23 VAL CB . 6917 1 60 . 1 1 23 23 VAL N N 15 126.828 . . 1 . . . . 23 VAL N . 6917 1 61 . 1 1 24 24 ILE H H 1 9.233 . . 1 . . . . 24 ILE HN . 6917 1 62 . 1 1 24 24 ILE C C 13 175.213 . . 1 . . . . 24 ILE C . 6917 1 63 . 1 1 24 24 ILE CA C 13 61.260 . . 1 . . . . 24 ILE CA . 6917 1 64 . 1 1 24 24 ILE CB C 13 38.309 . . 1 . . . . 24 ILE CB . 6917 1 65 . 1 1 24 24 ILE N N 15 129.503 . . 1 . . . . 24 ILE N . 6917 1 66 . 1 1 25 25 SER H H 1 8.123 . . 1 . . . . 25 SER HN . 6917 1 67 . 1 1 25 25 SER C C 13 173.027 . . 1 . . . . 25 SER C . 6917 1 68 . 1 1 25 25 SER CA C 13 58.362 . . 1 . . . . 25 SER CA . 6917 1 69 . 1 1 25 25 SER CB C 13 65.076 . . 1 . . . . 25 SER CB . 6917 1 70 . 1 1 25 25 SER N N 15 121.514 . . 1 . . . . 25 SER N . 6917 1 71 . 1 1 26 26 GLU H H 1 8.531 . . 1 . . . . 26 GLU HN . 6917 1 72 . 1 1 26 26 GLU C C 13 176.099 . . 1 . . . . 26 GLU C . 6917 1 73 . 1 1 26 26 GLU CA C 13 58.191 . . 1 . . . . 26 GLU CA . 6917 1 74 . 1 1 26 26 GLU CB C 13 30.262 . . 1 . . . . 26 GLU CB . 6917 1 75 . 1 1 26 26 GLU N N 15 122.570 . . 1 . . . . 26 GLU N . 6917 1 76 . 1 1 27 27 ASN H H 1 8.081 . . 1 . . . . 27 ASN HN . 6917 1 77 . 1 1 27 27 ASN C C 13 172.226 . . 1 . . . . 27 ASN C . 6917 1 78 . 1 1 27 27 ASN CA C 13 52.987 . . 1 . . . . 27 ASN CA . 6917 1 79 . 1 1 27 27 ASN CB C 13 41.685 . . 1 . . . . 27 ASN CB . 6917 1 80 . 1 1 27 27 ASN N N 15 118.088 . . 1 . . . . 27 ASN N . 6917 1 81 . 1 1 28 28 GLN H H 1 7.790 . . 1 . . . . 28 GLN HN . 6917 1 82 . 1 1 28 28 GLN C C 13 174.565 . . 1 . . . . 28 GLN C . 6917 1 83 . 1 1 28 28 GLN CA C 13 55.673 . . 1 . . . . 28 GLN CA . 6917 1 84 . 1 1 28 28 GLN CB C 13 30.483 . . 1 . . . . 28 GLN CB . 6917 1 85 . 1 1 28 28 GLN N N 15 119.636 . . 1 . . . . 28 GLN N . 6917 1 86 . 1 1 29 29 PHE H H 1 8.278 . . 1 . . . . 29 PHE HN . 6917 1 87 . 1 1 29 29 PHE C C 13 175.798 . . 1 . . . . 29 PHE C . 6917 1 88 . 1 1 29 29 PHE CA C 13 58.673 . . 1 . . . . 29 PHE CA . 6917 1 89 . 1 1 29 29 PHE CB C 13 42.554 . . 1 . . . . 29 PHE CB . 6917 1 90 . 1 1 29 29 PHE N N 15 122.044 . . 1 . . . . 29 PHE N . 6917 1 91 . 1 1 30 30 ASN H H 1 9.170 . . 1 . . . . 30 ASN HN . 6917 1 92 . 1 1 30 30 ASN C C 13 175.857 . . 1 . . . . 30 ASN C . 6917 1 93 . 1 1 30 30 ASN CA C 13 51.634 . . 1 . . . . 30 ASN CA . 6917 1 94 . 1 1 30 30 ASN CB C 13 41.017 . . 1 . . . . 30 ASN CB . 6917 1 95 . 1 1 30 30 ASN N N 15 118.505 . . 1 . . . . 30 ASN N . 6917 1 96 . 1 1 31 31 LYS H H 1 9.064 . . 1 . . . . 31 LYS HN . 6917 1 97 . 1 1 31 31 LYS C C 13 176.786 . . 1 . . . . 31 LYS C . 6917 1 98 . 1 1 31 31 LYS CA C 13 60.420 . . 1 . . . . 31 LYS CA . 6917 1 99 . 1 1 31 31 LYS CB C 13 32.422 . . 1 . . . . 31 LYS CB . 6917 1 100 . 1 1 31 31 LYS N N 15 117.013 . . 1 . . . . 31 LYS N . 6917 1 101 . 1 1 32 32 ASP H H 1 7.969 . . 1 . . . . 32 ASP HN . 6917 1 102 . 1 1 32 32 ASP C C 13 178.511 . . 1 . . . . 32 ASP C . 6917 1 103 . 1 1 32 32 ASP CA C 13 58.449 . . 1 . . . . 32 ASP CA . 6917 1 104 . 1 1 32 32 ASP CB C 13 40.623 . . 1 . . . . 32 ASP CB . 6917 1 105 . 1 1 32 32 ASP N N 15 121.263 . . 1 . . . . 32 ASP N . 6917 1 106 . 1 1 33 33 GLU H H 1 8.005 . . 1 . . . . 33 GLU HN . 6917 1 107 . 1 1 33 33 GLU C C 13 179.589 . . 1 . . . . 33 GLU C . 6917 1 108 . 1 1 33 33 GLU CA C 13 59.273 . . 1 . . . . 33 GLU CA . 6917 1 109 . 1 1 33 33 GLU CB C 13 30.372 . . 1 . . . . 33 GLU CB . 6917 1 110 . 1 1 33 33 GLU N N 15 120.953 . . 1 . . . . 33 GLU N . 6917 1 111 . 1 1 34 34 ILE H H 1 7.421 . . 1 . . . . 34 ILE HN . 6917 1 112 . 1 1 34 34 ILE C C 13 176.478 . . 1 . . . . 34 ILE C . 6917 1 113 . 1 1 34 34 ILE CA C 13 61.238 . . 1 . . . . 34 ILE CA . 6917 1 114 . 1 1 34 34 ILE CB C 13 34.985 . . 1 . . . . 34 ILE CB . 6917 1 115 . 1 1 34 34 ILE N N 15 118.873 . . 1 . . . . 34 ILE N . 6917 1 116 . 1 1 35 35 LYS H H 1 7.975 . . 1 . . . . 35 LYS HN . 6917 1 117 . 1 1 35 35 LYS C C 13 178.251 . . 1 . . . . 35 LYS C . 6917 1 118 . 1 1 35 35 LYS CA C 13 61.205 . . 1 . . . . 35 LYS CA . 6917 1 119 . 1 1 35 35 LYS CB C 13 32.862 . . 1 . . . . 35 LYS CB . 6917 1 120 . 1 1 35 35 LYS N N 15 121.794 . . 1 . . . . 35 LYS N . 6917 1 121 . 1 1 36 36 GLU H H 1 7.381 . . 1 . . . . 36 GLU HN . 6917 1 122 . 1 1 36 36 GLU C C 13 177.675 . . 1 . . . . 36 GLU C . 6917 1 123 . 1 1 36 36 GLU CA C 13 59.521 . . 1 . . . . 36 GLU CA . 6917 1 124 . 1 1 36 36 GLU CB C 13 29.921 . . 1 . . . . 36 GLU CB . 6917 1 125 . 1 1 36 36 GLU N N 15 117.236 . . 1 . . . . 36 GLU N . 6917 1 126 . 1 1 37 37 ALA H H 1 7.743 . . 1 . . . . 37 ALA HN . 6917 1 127 . 1 1 37 37 ALA C C 13 180.559 . . 1 . . . . 37 ALA C . 6917 1 128 . 1 1 37 37 ALA CA C 13 55.590 . . 1 . . . . 37 ALA CA . 6917 1 129 . 1 1 37 37 ALA CB C 13 24.456 . . 1 . . . . 37 ALA CB . 6917 1 130 . 1 1 37 37 ALA N N 15 121.535 . . 1 . . . . 37 ALA N . 6917 1 131 . 1 1 38 38 ILE H H 1 8.055 . . 1 . . . . 38 ILE HN . 6917 1 132 . 1 1 38 38 ILE C C 13 176.760 . . 1 . . . . 38 ILE C . 6917 1 133 . 1 1 38 38 ILE CA C 13 65.781 . . 1 . . . . 38 ILE CA . 6917 1 134 . 1 1 38 38 ILE CB C 13 38.281 . . 1 . . . . 38 ILE CB . 6917 1 135 . 1 1 38 38 ILE N N 15 117.258 . . 1 . . . . 38 ILE N . 6917 1 136 . 1 1 39 39 TRP H H 1 7.604 . . 1 . . . . 39 TRP HN . 6917 1 137 . 1 1 39 39 TRP C C 13 177.469 . . 1 . . . . 39 TRP C . 6917 1 138 . 1 1 39 39 TRP CA C 13 61.530 . . 1 . . . . 39 TRP CA . 6917 1 139 . 1 1 39 39 TRP CB C 13 29.737 . . 1 . . . . 39 TRP CB . 6917 1 140 . 1 1 39 39 TRP N N 15 120.957 . . 1 . . . . 39 TRP N . 6917 1 141 . 1 1 40 40 ASN H H 1 8.564 . . 1 . . . . 40 ASN HN . 6917 1 142 . 1 1 40 40 ASN C C 13 177.320 . . 1 . . . . 40 ASN C . 6917 1 143 . 1 1 40 40 ASN CA C 13 56.913 . . 1 . . . . 40 ASN CA . 6917 1 144 . 1 1 40 40 ASN CB C 13 38.942 . . 1 . . . . 40 ASN CB . 6917 1 145 . 1 1 40 40 ASN N N 15 115.143 . . 1 . . . . 40 ASN N . 6917 1 146 . 1 1 41 41 ALA H H 1 7.989 . . 1 . . . . 41 ALA HN . 6917 1 147 . 1 1 41 41 ALA C C 13 180.618 . . 1 . . . . 41 ALA C . 6917 1 148 . 1 1 41 41 ALA CA C 13 55.730 . . 1 . . . . 41 ALA CA . 6917 1 149 . 1 1 41 41 ALA CB C 13 18.369 . . 1 . . . . 41 ALA CB . 6917 1 150 . 1 1 41 41 ALA N N 15 122.550 . . 1 . . . . 41 ALA N . 6917 1 151 . 1 1 42 42 CYS H H 1 7.519 . . 1 . . . . 42 CYS HN . 6917 1 152 . 1 1 42 42 CYS C C 13 175.927 . . 1 . . . . 42 CYS C . 6917 1 153 . 1 1 42 42 CYS CA C 13 63.913 . . 1 . . . . 42 CYS CA . 6917 1 154 . 1 1 42 42 CYS CB C 13 27.246 . . 1 . . . . 42 CYS CB . 6917 1 155 . 1 1 42 42 CYS N N 15 117.792 . . 1 . . . . 42 CYS N . 6917 1 156 . 1 1 43 43 LEU H H 1 8.291 . . 1 . . . . 43 LEU HN . 6917 1 157 . 1 1 43 43 LEU C C 13 180.087 . . 1 . . . . 43 LEU C . 6917 1 158 . 1 1 43 43 LEU CA C 13 59.063 . . 1 . . . . 43 LEU CA . 6917 1 159 . 1 1 43 43 LEU CB C 13 42.329 . . 1 . . . . 43 LEU CB . 6917 1 160 . 1 1 43 43 LEU N N 15 122.399 . . 1 . . . . 43 LEU N . 6917 1 161 . 1 1 44 44 ARG H H 1 7.763 . . 1 . . . . 44 ARG HN . 6917 1 162 . 1 1 44 44 ARG C C 13 177.174 . . 1 . . . . 44 ARG C . 6917 1 163 . 1 1 44 44 ARG CA C 13 59.504 . . 1 . . . . 44 ARG CA . 6917 1 164 . 1 1 44 44 ARG CB C 13 31.147 . . 1 . . . . 44 ARG CB . 6917 1 165 . 1 1 44 44 ARG N N 15 116.334 . . 1 . . . . 44 ARG N . 6917 1 166 . 1 1 45 45 THR H H 1 7.244 . . 1 . . . . 45 THR HN . 6917 1 167 . 1 1 45 45 THR C C 13 174.912 . . 1 . . . . 45 THR C . 6917 1 168 . 1 1 45 45 THR CA C 13 65.595 . . 1 . . . . 45 THR CA . 6917 1 169 . 1 1 45 45 THR CB C 13 70.009 . . 1 . . . . 45 THR CB . 6917 1 170 . 1 1 45 45 THR N N 15 113.131 . . 1 . . . . 45 THR N . 6917 1 171 . 1 1 46 46 LEU H H 1 8.875 . . 1 . . . . 46 LEU HN . 6917 1 172 . 1 1 46 46 LEU C C 13 178.745 . . 1 . . . . 46 LEU C . 6917 1 173 . 1 1 46 46 LEU CA C 13 55.378 . . 1 . . . . 46 LEU CA . 6917 1 174 . 1 1 46 46 LEU CB C 13 42.982 . . 1 . . . . 46 LEU CB . 6917 1 175 . 1 1 46 46 LEU N N 15 119.367 . . 1 . . . . 46 LEU N . 6917 1 176 . 1 1 47 47 GLY H H 1 7.165 . . 1 . . . . 47 GLY HN . 6917 1 177 . 1 1 47 47 GLY C C 13 174.223 . . 1 . . . . 47 GLY C . 6917 1 178 . 1 1 47 47 GLY CA C 13 44.676 . . 1 . . . . 47 GLY CA . 6917 1 179 . 1 1 47 47 GLY N N 15 105.864 . . 1 . . . . 47 GLY N . 6917 1 180 . 1 1 48 48 GLU H H 1 8.868 . . 1 . . . . 48 GLU HN . 6917 1 181 . 1 1 48 48 GLU C C 13 178.751 . . 1 . . . . 48 GLU C . 6917 1 182 . 1 1 48 48 GLU CA C 13 61.307 . . 1 . . . . 48 GLU CA . 6917 1 183 . 1 1 48 48 GLU CB C 13 30.162 . . 1 . . . . 48 GLU CB . 6917 1 184 . 1 1 48 48 GLU N N 15 122.220 . . 1 . . . . 48 GLU N . 6917 1 185 . 1 1 49 49 LEU H H 1 8.395 . . 1 . . . . 49 LEU HN . 6917 1 186 . 1 1 49 49 LEU C C 13 179.397 . . 1 . . . . 49 LEU C . 6917 1 187 . 1 1 49 49 LEU CA C 13 58.350 . . 1 . . . . 49 LEU CA . 6917 1 188 . 1 1 49 49 LEU CB C 13 41.708 . . 1 . . . . 49 LEU CB . 6917 1 189 . 1 1 49 49 LEU N N 15 120.452 . . 1 . . . . 49 LEU N . 6917 1 190 . 1 1 50 50 GLY H H 1 7.667 . . 1 . . . . 50 GLY HN . 6917 1 191 . 1 1 50 50 GLY C C 13 176.375 . . 1 . . . . 50 GLY C . 6917 1 192 . 1 1 50 50 GLY CA C 13 47.997 . . 1 . . . . 50 GLY CA . 6917 1 193 . 1 1 50 50 GLY N N 15 105.526 . . 1 . . . . 50 GLY N . 6917 1 194 . 1 1 51 51 THR H H 1 7.701 . . 1 . . . . 51 THR HN . 6917 1 195 . 1 1 51 51 THR C C 13 175.340 . . 1 . . . . 51 THR C . 6917 1 196 . 1 1 51 51 THR CA C 13 68.981 . . 1 . . . . 51 THR CA . 6917 1 197 . 1 1 51 51 THR CB C 13 68.528 . . 1 . . . . 51 THR CB . 6917 1 198 . 1 1 51 51 THR N N 15 119.669 . . 1 . . . . 51 THR N . 6917 1 199 . 1 1 52 52 ALA H H 1 7.567 . . 1 . . . . 52 ALA HN . 6917 1 200 . 1 1 52 52 ALA C C 13 179.445 . . 1 . . . . 52 ALA C . 6917 1 201 . 1 1 52 52 ALA CA C 13 55.482 . . 1 . . . . 52 ALA CA . 6917 1 202 . 1 1 52 52 ALA CB C 13 18.557 . . 1 . . . . 52 ALA CB . 6917 1 203 . 1 1 52 52 ALA N N 15 123.745 . . 1 . . . . 52 ALA N . 6917 1 204 . 1 1 53 53 LYS H H 1 7.331 . . 1 . . . . 53 LYS HN . 6917 1 205 . 1 1 53 53 LYS C C 13 177.090 . . 1 . . . . 53 LYS C . 6917 1 206 . 1 1 53 53 LYS CA C 13 58.749 . . 1 . . . . 53 LYS CA . 6917 1 207 . 1 1 53 53 LYS CB C 13 33.287 . . 1 . . . . 53 LYS CB . 6917 1 208 . 1 1 53 53 LYS N N 15 115.095 . . 1 . . . . 53 LYS N . 6917 1 209 . 1 1 54 54 ALA H H 1 7.367 . . 1 . . . . 54 ALA HN . 6917 1 210 . 1 1 54 54 ALA C C 13 175.945 . . 1 . . . . 54 ALA C . 6917 1 211 . 1 1 54 54 ALA CA C 13 54.666 . . 1 . . . . 54 ALA CA . 6917 1 212 . 1 1 54 54 ALA CB C 13 19.680 . . 1 . . . . 54 ALA CB . 6917 1 213 . 1 1 54 54 ALA N N 15 119.388 . . 1 . . . . 54 ALA N . 6917 1 214 . 1 1 55 55 LYS H H 1 7.968 . . 1 . . . . 55 LYS HN . 6917 1 215 . 1 1 55 55 LYS CA C 13 57.040 . . 1 . . . . 55 LYS CA . 6917 1 216 . 1 1 55 55 LYS CB C 13 32.048 . . 1 . . . . 55 LYS CB . 6917 1 217 . 1 1 55 55 LYS N N 15 112.446 . . 1 . . . . 55 LYS N . 6917 1 218 . 1 1 57 57 TRP C C 13 175.830 . . 1 . . . . 57 TRP C . 6917 1 219 . 1 1 57 57 TRP CA C 13 58.907 . . 1 . . . . 57 TRP CA . 6917 1 220 . 1 1 58 58 LEU H H 1 7.262 . . 1 . . . . 58 LEU HN . 6917 1 221 . 1 1 58 58 LEU C C 13 174.099 . . 1 . . . . 58 LEU C . 6917 1 222 . 1 1 58 58 LEU CA C 13 57.759 . . 1 . . . . 58 LEU CA . 6917 1 223 . 1 1 58 58 LEU CB C 13 42.376 . . 1 . . . . 58 LEU CB . 6917 1 224 . 1 1 58 58 LEU N N 15 115.226 . . 1 . . . . 58 LEU N . 6917 1 225 . 1 1 59 59 ILE H H 1 8.528 . . 1 . . . . 59 ILE HN . 6917 1 226 . 1 1 59 59 ILE C C 13 176.023 . . 1 . . . . 59 ILE C . 6917 1 227 . 1 1 59 59 ILE CA C 13 62.260 . . 1 . . . . 59 ILE CA . 6917 1 228 . 1 1 59 59 ILE CB C 13 38.435 . . 1 . . . . 59 ILE CB . 6917 1 229 . 1 1 59 59 ILE N N 15 128.419 . . 1 . . . . 59 ILE N . 6917 1 230 . 1 1 60 60 LYS H H 1 7.207 . . 1 . . . . 60 LYS HN . 6917 1 231 . 1 1 60 60 LYS C C 13 173.262 . . 1 . . . . 60 LYS C . 6917 1 232 . 1 1 60 60 LYS CA C 13 56.492 . . 1 . . . . 60 LYS CA . 6917 1 233 . 1 1 60 60 LYS CB C 13 36.968 . . 1 . . . . 60 LYS CB . 6917 1 234 . 1 1 60 60 LYS N N 15 116.034 . . 1 . . . . 60 LYS N . 6917 1 235 . 1 1 61 61 PHE H H 1 8.914 . . 1 . . . . 61 PHE HN . 6917 1 236 . 1 1 61 61 PHE C C 13 172.205 . . 1 . . . . 61 PHE C . 6917 1 237 . 1 1 61 61 PHE CA C 13 57.374 . . 1 . . . . 61 PHE CA . 6917 1 238 . 1 1 61 61 PHE CB C 13 44.094 . . 1 . . . . 61 PHE CB . 6917 1 239 . 1 1 61 61 PHE N N 15 126.210 . . 1 . . . . 61 PHE N . 6917 1 240 . 1 1 62 62 ASP H H 1 9.073 . . 1 . . . . 62 ASP HN . 6917 1 241 . 1 1 62 62 ASP C C 13 175.214 . . 1 . . . . 62 ASP C . 6917 1 242 . 1 1 62 62 ASP CA C 13 53.110 . . 1 . . . . 62 ASP CA . 6917 1 243 . 1 1 62 62 ASP CB C 13 42.796 . . 1 . . . . 62 ASP CB . 6917 1 244 . 1 1 62 62 ASP N N 15 127.515 . . 1 . . . . 62 ASP N . 6917 1 245 . 1 1 63 63 GLU H H 1 8.965 . . 1 . . . . 63 GLU HN . 6917 1 246 . 1 1 63 63 GLU C C 13 178.556 . . 1 . . . . 63 GLU C . 6917 1 247 . 1 1 63 63 GLU CA C 13 59.548 . . 1 . . . . 63 GLU CA . 6917 1 248 . 1 1 63 63 GLU CB C 13 29.980 . . 1 . . . . 63 GLU CB . 6917 1 249 . 1 1 63 63 GLU N N 15 126.217 . . 1 . . . . 63 GLU N . 6917 1 250 . 1 1 64 64 THR H H 1 7.939 . . 1 . . . . 64 THR HN . 6917 1 251 . 1 1 64 64 THR C C 13 175.570 . . 1 . . . . 64 THR C . 6917 1 252 . 1 1 64 64 THR CA C 13 67.172 . . 1 . . . . 64 THR CA . 6917 1 253 . 1 1 64 64 THR CB C 13 68.839 . . 1 . . . . 64 THR CB . 6917 1 254 . 1 1 64 64 THR N N 15 114.606 . . 1 . . . . 64 THR N . 6917 1 255 . 1 1 65 65 THR H H 1 6.934 . . 1 . . . . 65 THR HN . 6917 1 256 . 1 1 65 65 THR C C 13 173.970 . . 1 . . . . 65 THR C . 6917 1 257 . 1 1 65 65 THR CA C 13 62.246 . . 1 . . . . 65 THR CA . 6917 1 258 . 1 1 65 65 THR CB C 13 71.246 . . 1 . . . . 65 THR CB . 6917 1 259 . 1 1 65 65 THR N N 15 107.127 . . 1 . . . . 65 THR N . 6917 1 260 . 1 1 66 66 GLN H H 1 7.975 . . 1 . . . . 66 GLN HN . 6917 1 261 . 1 1 66 66 GLN C C 13 174.007 . . 1 . . . . 66 GLN C . 6917 1 262 . 1 1 66 66 GLN CA C 13 56.950 . . 1 . . . . 66 GLN CA . 6917 1 263 . 1 1 66 66 GLN CB C 13 27.223 . . 1 . . . . 66 GLN CB . 6917 1 264 . 1 1 66 66 GLN N N 15 118.350 . . 1 . . . . 66 GLN N . 6917 1 265 . 1 1 67 67 THR H H 1 6.819 . . 1 . . . . 67 THR HN . 6917 1 266 . 1 1 67 67 THR C C 13 173.341 . . 1 . . . . 67 THR C . 6917 1 267 . 1 1 67 67 THR CA C 13 58.516 . . 1 . . . . 67 THR CA . 6917 1 268 . 1 1 67 67 THR CB C 13 73.677 . . 1 . . . . 67 THR CB . 6917 1 269 . 1 1 67 67 THR N N 15 105.068 . . 1 . . . . 67 THR N . 6917 1 270 . 1 1 68 68 GLY H H 1 7.331 . . 1 . . . . 68 GLY HN . 6917 1 271 . 1 1 68 68 GLY C C 13 170.303 . . 1 . . . . 68 GLY C . 6917 1 272 . 1 1 68 68 GLY CA C 13 47.683 . . 1 . . . . 68 GLY CA . 6917 1 273 . 1 1 68 68 GLY N N 15 103.747 . . 1 . . . . 68 GLY N . 6917 1 274 . 1 1 69 69 ILE H H 1 8.082 . . 1 . . . . 69 ILE HN . 6917 1 275 . 1 1 69 69 ILE C C 13 175.195 . . 1 . . . . 69 ILE C . 6917 1 276 . 1 1 69 69 ILE CA C 13 60.988 . . 1 . . . . 69 ILE CA . 6917 1 277 . 1 1 69 69 ILE CB C 13 43.575 . . 1 . . . . 69 ILE CB . 6917 1 278 . 1 1 69 69 ILE N N 15 114.708 . . 1 . . . . 69 ILE N . 6917 1 279 . 1 1 70 70 ILE H H 1 9.410 . . 1 . . . . 70 ILE HN . 6917 1 280 . 1 1 70 70 ILE C C 13 174.184 . . 1 . . . . 70 ILE C . 6917 1 281 . 1 1 70 70 ILE CA C 13 59.851 . . 1 . . . . 70 ILE CA . 6917 1 282 . 1 1 70 70 ILE CB C 13 43.432 . . 1 . . . . 70 ILE CB . 6917 1 283 . 1 1 70 70 ILE N N 15 127.799 . . 1 . . . . 70 ILE N . 6917 1 284 . 1 1 71 71 ARG H H 1 9.553 . . 1 . . . . 71 ARG HN . 6917 1 285 . 1 1 71 71 ARG C C 13 173.825 . . 1 . . . . 71 ARG C . 6917 1 286 . 1 1 71 71 ARG CA C 13 55.269 . . 1 . . . . 71 ARG CA . 6917 1 287 . 1 1 71 71 ARG CB C 13 34.761 . . 1 . . . . 71 ARG CB . 6917 1 288 . 1 1 71 71 ARG N N 15 128.454 . . 1 . . . . 71 ARG N . 6917 1 289 . 1 1 72 72 SER H H 1 8.460 . . 1 . . . . 72 SER HN . 6917 1 290 . 1 1 72 72 SER C C 13 173.558 . . 1 . . . . 72 SER C . 6917 1 291 . 1 1 72 72 SER CA C 13 57.656 . . 1 . . . . 72 SER CA . 6917 1 292 . 1 1 72 72 SER CB C 13 68.098 . . 1 . . . . 72 SER CB . 6917 1 293 . 1 1 72 72 SER N N 15 118.324 . . 1 . . . . 72 SER N . 6917 1 294 . 1 1 73 73 ASP H H 1 8.611 . . 1 . . . . 73 ASP HN . 6917 1 295 . 1 1 73 73 ASP C C 13 178.537 . . 1 . . . . 73 ASP C . 6917 1 296 . 1 1 73 73 ASP CA C 13 55.883 . . 1 . . . . 73 ASP CA . 6917 1 297 . 1 1 73 73 ASP CB C 13 44.751 . . 1 . . . . 73 ASP CB . 6917 1 298 . 1 1 73 73 ASP N N 15 122.013 . . 1 . . . . 73 ASP N . 6917 1 299 . 1 1 74 74 ARG H H 1 8.477 . . 1 . . . . 74 ARG HN . 6917 1 300 . 1 1 74 74 ARG C C 13 176.086 . . 1 . . . . 74 ARG C . 6917 1 301 . 1 1 74 74 ARG CA C 13 59.944 . . 1 . . . . 74 ARG CA . 6917 1 302 . 1 1 74 74 ARG CB C 13 29.934 . . 1 . . . . 74 ARG CB . 6917 1 303 . 1 1 74 74 ARG N N 15 124.536 . . 1 . . . . 74 ARG N . 6917 1 304 . 1 1 75 75 ASN H H 1 8.540 . . 1 . . . . 75 ASN HN . 6917 1 305 . 1 1 75 75 ASN C C 13 175.247 . . 1 . . . . 75 ASN C . 6917 1 306 . 1 1 75 75 ASN CA C 13 55.137 . . 1 . . . . 75 ASN CA . 6917 1 307 . 1 1 75 75 ASN CB C 13 38.797 . . 1 . . . . 75 ASN CB . 6917 1 308 . 1 1 75 75 ASN N N 15 116.200 . . 1 . . . . 75 ASN N . 6917 1 309 . 1 1 76 76 HIS H H 1 7.563 . . 1 . . . . 76 HIS HN . 6917 1 310 . 1 1 76 76 HIS C C 13 174.512 . . 1 . . . . 76 HIS C . 6917 1 311 . 1 1 76 76 HIS CA C 13 56.717 . . 1 . . . . 76 HIS CA . 6917 1 312 . 1 1 76 76 HIS CB C 13 31.312 . . 1 . . . . 76 HIS CB . 6917 1 313 . 1 1 76 76 HIS N N 15 114.295 . . 1 . . . . 76 HIS N . 6917 1 314 . 1 1 77 77 VAL H H 1 7.194 . . 1 . . . . 77 VAL HN . 6917 1 315 . 1 1 77 77 VAL C C 13 176.054 . . 1 . . . . 77 VAL C . 6917 1 316 . 1 1 77 77 VAL CA C 13 66.340 . . 1 . . . . 77 VAL CA . 6917 1 317 . 1 1 77 77 VAL CB C 13 31.687 . . 1 . . . . 77 VAL CB . 6917 1 318 . 1 1 77 77 VAL N N 15 121.496 . . 1 . . . . 77 VAL N . 6917 1 319 . 1 1 78 78 TYR H H 1 8.038 . . 1 . . . . 78 TYR HN . 6917 1 320 . 1 1 78 78 TYR C C 13 177.306 . . 1 . . . . 78 TYR C . 6917 1 321 . 1 1 78 78 TYR CA C 13 62.623 . . 1 . . . . 78 TYR CA . 6917 1 322 . 1 1 78 78 TYR CB C 13 37.283 . . 1 . . . . 78 TYR CB . 6917 1 323 . 1 1 78 78 TYR N N 15 119.156 . . 1 . . . . 78 TYR N . 6917 1 324 . 1 1 79 79 ASP H H 1 7.541 . . 1 . . . . 79 ASP HN . 6917 1 325 . 1 1 79 79 ASP C C 13 178.695 . . 1 . . . . 79 ASP C . 6917 1 326 . 1 1 79 79 ASP CA C 13 57.885 . . 1 . . . . 79 ASP CA . 6917 1 327 . 1 1 79 79 ASP CB C 13 41.210 . . 1 . . . . 79 ASP CB . 6917 1 328 . 1 1 79 79 ASP N N 15 120.968 . . 1 . . . . 79 ASP N . 6917 1 329 . 1 1 80 80 VAL H H 1 7.610 . . 1 . . . . 80 VAL HN . 6917 1 330 . 1 1 80 80 VAL C C 13 177.092 . . 1 . . . . 80 VAL C . 6917 1 331 . 1 1 80 80 VAL CA C 13 67.357 . . 1 . . . . 80 VAL CA . 6917 1 332 . 1 1 80 80 VAL CB C 13 31.709 . . 1 . . . . 80 VAL CB . 6917 1 333 . 1 1 80 80 VAL N N 15 121.513 . . 1 . . . . 80 VAL N . 6917 1 334 . 1 1 81 81 ILE H H 1 8.117 . . 1 . . . . 81 ILE HN . 6917 1 335 . 1 1 81 81 ILE C C 13 177.484 . . 1 . . . . 81 ILE C . 6917 1 336 . 1 1 81 81 ILE CA C 13 67.837 . . 1 . . . . 81 ILE CA . 6917 1 337 . 1 1 81 81 ILE CB C 13 38.499 . . 1 . . . . 81 ILE CB . 6917 1 338 . 1 1 81 81 ILE N N 15 119.695 . . 1 . . . . 81 ILE N . 6917 1 339 . 1 1 82 82 PHE H H 1 8.426 . . 1 . . . . 82 PHE HN . 6917 1 340 . 1 1 82 82 PHE C C 13 177.672 . . 1 . . . . 82 PHE C . 6917 1 341 . 1 1 82 82 PHE CA C 13 61.575 . . 1 . . . . 82 PHE CA . 6917 1 342 . 1 1 82 82 PHE CB C 13 39.180 . . 1 . . . . 82 PHE CB . 6917 1 343 . 1 1 82 82 PHE N N 15 120.450 . . 1 . . . . 82 PHE N . 6917 1 344 . 1 1 83 83 SER H H 1 7.490 . . 1 . . . . 83 SER HN . 6917 1 345 . 1 1 83 83 SER C C 13 176.200 . . 1 . . . . 83 SER C . 6917 1 346 . 1 1 83 83 SER CA C 13 63.494 . . 1 . . . . 83 SER CA . 6917 1 347 . 1 1 83 83 SER CB C 13 63.742 . . 1 . . . . 83 SER CB . 6917 1 348 . 1 1 83 83 SER N N 15 114.135 . . 1 . . . . 83 SER N . 6917 1 349 . 1 1 84 84 LEU H H 1 7.845 . . 1 . . . . 84 LEU HN . 6917 1 350 . 1 1 84 84 LEU C C 13 179.181 . . 1 . . . . 84 LEU C . 6917 1 351 . 1 1 84 84 LEU CA C 13 57.870 . . 1 . . . . 84 LEU CA . 6917 1 352 . 1 1 84 84 LEU CB C 13 40.987 . . 1 . . . . 84 LEU CB . 6917 1 353 . 1 1 84 84 LEU N N 15 118.873 . . 1 . . . . 84 LEU N . 6917 1 354 . 1 1 85 85 THR H H 1 7.909 . . 1 . . . . 85 THR HN . 6917 1 355 . 1 1 85 85 THR C C 13 174.313 . . 1 . . . . 85 THR C . 6917 1 356 . 1 1 85 85 THR CA C 13 65.311 . . 1 . . . . 85 THR CA . 6917 1 357 . 1 1 85 85 THR CB C 13 70.150 . . 1 . . . . 85 THR CB . 6917 1 358 . 1 1 85 85 THR N N 15 111.934 . . 1 . . . . 85 THR N . 6917 1 359 . 1 1 86 86 LEU H H 1 6.762 . . 1 . . . . 86 LEU HN . 6917 1 360 . 1 1 86 86 LEU C C 13 177.488 . . 1 . . . . 86 LEU C . 6917 1 361 . 1 1 86 86 LEU CA C 13 55.407 . . 1 . . . . 86 LEU CA . 6917 1 362 . 1 1 86 86 LEU CB C 13 42.575 . . 1 . . . . 86 LEU CB . 6917 1 363 . 1 1 86 86 LEU N N 15 119.110 . . 1 . . . . 86 LEU N . 6917 1 364 . 1 1 87 87 VAL H H 1 6.904 . . 1 . . . . 87 VAL HN . 6917 1 365 . 1 1 87 87 VAL C C 13 175.880 . . 1 . . . . 87 VAL C . 6917 1 366 . 1 1 87 87 VAL CA C 13 65.149 . . 1 . . . . 87 VAL CA . 6917 1 367 . 1 1 87 87 VAL CB C 13 32.295 . . 1 . . . . 87 VAL CB . 6917 1 368 . 1 1 87 87 VAL N N 15 120.921 . . 1 . . . . 87 VAL N . 6917 1 369 . 1 1 88 88 SER H H 1 8.776 . . 1 . . . . 88 SER HN . 6917 1 370 . 1 1 88 88 SER C C 13 174.440 . . 1 . . . . 88 SER C . 6917 1 371 . 1 1 88 88 SER CA C 13 58.830 . . 1 . . . . 88 SER CA . 6917 1 372 . 1 1 88 88 SER CB C 13 65.855 . . 1 . . . . 88 SER CB . 6917 1 373 . 1 1 88 88 SER N N 15 120.906 . . 1 . . . . 88 SER N . 6917 1 374 . 1 1 89 89 ASP H H 1 7.618 . . 1 . . . . 89 ASP HN . 6917 1 375 . 1 1 89 89 ASP C C 13 173.670 . . 1 . . . . 89 ASP C . 6917 1 376 . 1 1 89 89 ASP CA C 13 54.395 . . 1 . . . . 89 ASP CA . 6917 1 377 . 1 1 89 89 ASP CB C 13 45.239 . . 1 . . . . 89 ASP CB . 6917 1 378 . 1 1 89 89 ASP N N 15 122.070 . . 1 . . . . 89 ASP N . 6917 1 379 . 1 1 90 90 ILE H H 1 8.615 . . 1 . . . . 90 ILE HN . 6917 1 380 . 1 1 90 90 ILE C C 13 175.429 . . 1 . . . . 90 ILE C . 6917 1 381 . 1 1 90 90 ILE CA C 13 62.117 . . 1 . . . . 90 ILE CA . 6917 1 382 . 1 1 90 90 ILE CB C 13 39.997 . . 1 . . . . 90 ILE CB . 6917 1 383 . 1 1 90 90 ILE N N 15 120.977 . . 1 . . . . 90 ILE N . 6917 1 384 . 1 1 91 91 ASN H H 1 9.023 . . 1 . . . . 91 ASN HN . 6917 1 385 . 1 1 91 91 ASN C C 13 174.315 . . 1 . . . . 91 ASN C . 6917 1 386 . 1 1 91 91 ASN CA C 13 54.587 . . 1 . . . . 91 ASN CA . 6917 1 387 . 1 1 91 91 ASN CB C 13 38.096 . . 1 . . . . 91 ASN CB . 6917 1 388 . 1 1 91 91 ASN N N 15 126.326 . . 1 . . . . 91 ASN N . 6917 1 389 . 1 1 92 92 GLY H H 1 8.665 . . 1 . . . . 92 GLY HN . 6917 1 390 . 1 1 92 92 GLY C C 13 173.814 . . 1 . . . . 92 GLY C . 6917 1 391 . 1 1 92 92 GLY CA C 13 46.068 . . 1 . . . . 92 GLY CA . 6917 1 392 . 1 1 92 92 GLY N N 15 104.499 . . 1 . . . . 92 GLY N . 6917 1 393 . 1 1 93 93 ASN H H 1 7.712 . . 1 . . . . 93 ASN HN . 6917 1 394 . 1 1 93 93 ASN C C 13 173.996 . . 1 . . . . 93 ASN C . 6917 1 395 . 1 1 93 93 ASN CA C 13 52.478 . . 1 . . . . 93 ASN CA . 6917 1 396 . 1 1 93 93 ASN CB C 13 41.466 . . 1 . . . . 93 ASN CB . 6917 1 397 . 1 1 93 93 ASN N N 15 118.651 . . 1 . . . . 93 ASN N . 6917 1 398 . 1 1 94 94 LYS H H 1 8.720 . . 1 . . . . 94 LYS HN . 6917 1 399 . 1 1 94 94 LYS C C 13 175.891 . . 1 . . . . 94 LYS C . 6917 1 400 . 1 1 94 94 LYS CA C 13 58.599 . . 1 . . . . 94 LYS CA . 6917 1 401 . 1 1 94 94 LYS CB C 13 32.525 . . 1 . . . . 94 LYS CB . 6917 1 402 . 1 1 94 94 LYS N N 15 125.087 . . 1 . . . . 94 LYS N . 6917 1 403 . 1 1 95 95 ALA H H 1 7.794 . . 1 . . . . 95 ALA HN . 6917 1 404 . 1 1 95 95 ALA C C 13 173.156 . . 1 . . . . 95 ALA C . 6917 1 405 . 1 1 95 95 ALA CA C 13 52.512 . . 1 . . . . 95 ALA CA . 6917 1 406 . 1 1 95 95 ALA CB C 13 22.626 . . 1 . . . . 95 ALA CB . 6917 1 407 . 1 1 95 95 ALA N N 15 127.911 . . 1 . . . . 95 ALA N . 6917 1 408 . 1 1 96 96 ILE H H 1 7.860 . . 1 . . . . 96 ILE HN . 6917 1 409 . 1 1 96 96 ILE C C 13 174.566 . . 1 . . . . 96 ILE C . 6917 1 410 . 1 1 96 96 ILE CA C 13 59.654 . . 1 . . . . 96 ILE CA . 6917 1 411 . 1 1 96 96 ILE CB C 13 42.723 . . 1 . . . . 96 ILE CB . 6917 1 412 . 1 1 96 96 ILE N N 15 113.013 . . 1 . . . . 96 ILE N . 6917 1 413 . 1 1 97 97 ILE H H 1 9.312 . . 1 . . . . 97 ILE HN . 6917 1 414 . 1 1 97 97 ILE C C 13 173.696 . . 1 . . . . 97 ILE C . 6917 1 415 . 1 1 97 97 ILE CA C 13 61.160 . . 1 . . . . 97 ILE CA . 6917 1 416 . 1 1 97 97 ILE CB C 13 37.956 . . 1 . . . . 97 ILE CB . 6917 1 417 . 1 1 97 97 ILE N N 15 124.086 . . 1 . . . . 97 ILE N . 6917 1 418 . 1 1 98 98 LYS H H 1 8.974 . . 1 . . . . 98 LYS HN . 6917 1 419 . 1 1 98 98 LYS C C 13 175.638 . . 1 . . . . 98 LYS C . 6917 1 420 . 1 1 98 98 LYS CA C 13 54.587 . . 1 . . . . 98 LYS CA . 6917 1 421 . 1 1 98 98 LYS CB C 13 35.027 . . 1 . . . . 98 LYS CB . 6917 1 422 . 1 1 98 98 LYS N N 15 127.657 . . 1 . . . . 98 LYS N . 6917 1 423 . 1 1 99 99 VAL H H 1 8.696 . . 1 . . . . 99 VAL HN . 6917 1 424 . 1 1 99 99 VAL C C 13 175.547 . . 1 . . . . 99 VAL C . 6917 1 425 . 1 1 99 99 VAL CA C 13 64.391 . . 1 . . . . 99 VAL CA . 6917 1 426 . 1 1 99 99 VAL CB C 13 31.629 . . 1 . . . . 99 VAL CB . 6917 1 427 . 1 1 99 99 VAL N N 15 127.570 . . 1 . . . . 99 VAL N . 6917 1 428 . 1 1 100 100 LEU H H 1 8.731 . . 1 . . . . 100 LEU HN . 6917 1 429 . 1 1 100 100 LEU C C 13 176.142 . . 1 . . . . 100 LEU C . 6917 1 430 . 1 1 100 100 LEU CA C 13 55.911 . . 1 . . . . 100 LEU CA . 6917 1 431 . 1 1 100 100 LEU CB C 13 43.422 . . 1 . . . . 100 LEU CB . 6917 1 432 . 1 1 100 100 LEU N N 15 128.443 . . 1 . . . . 100 LEU N . 6917 1 433 . 1 1 101 101 GLY H H 1 6.631 . . 1 . . . . 101 GLY HN . 6917 1 434 . 1 1 101 101 GLY CA C 13 44.955 . . 1 . . . . 101 GLY CA . 6917 1 435 . 1 1 101 101 GLY N N 15 101.892 . . 1 . . . . 101 GLY N . 6917 1 436 . 1 1 102 102 VAL C C 13 175.113 . . 1 . . . . 102 VAL C . 6917 1 437 . 1 1 103 103 SER H H 1 8.712 . . 1 . . . . 103 SER HN . 6917 1 438 . 1 1 103 103 SER C C 13 171.424 . . 1 . . . . 103 SER C . 6917 1 439 . 1 1 103 103 SER CA C 13 58.355 . . 1 . . . . 103 SER CA . 6917 1 440 . 1 1 103 103 SER N N 15 117.298 . . 1 . . . . 103 SER N . 6917 1 441 . 1 1 104 104 GLY H H 1 7.043 . . 1 . . . . 104 GLY HN . 6917 1 442 . 1 1 104 104 GLY CA C 13 44.224 . . 1 . . . . 104 GLY CA . 6917 1 443 . 1 1 104 104 GLY N N 15 119.058 . . 1 . . . . 104 GLY N . 6917 1 444 . 1 1 106 106 ILE C C 13 177.129 . . 1 . . . . 106 ILE C . 6917 1 445 . 1 1 106 106 ILE CA C 13 65.618 . . 1 . . . . 106 ILE CA . 6917 1 446 . 1 1 106 106 ILE CB C 13 42.022 . . 1 . . . . 106 ILE CB . 6917 1 447 . 1 1 107 107 LYS H H 1 8.180 . . 1 . . . . 107 LYS HN . 6917 1 448 . 1 1 107 107 LYS C C 13 178.519 . . 1 . . . . 107 LYS C . 6917 1 449 . 1 1 107 107 LYS CA C 13 60.907 . . 1 . . . . 107 LYS CA . 6917 1 450 . 1 1 107 107 LYS CB C 13 32.816 . . 1 . . . . 107 LYS CB . 6917 1 451 . 1 1 107 107 LYS N N 15 120.450 . . 1 . . . . 107 LYS N . 6917 1 452 . 1 1 108 108 ARG H H 1 7.299 . . 1 . . . . 108 ARG HN . 6917 1 453 . 1 1 108 108 ARG C C 13 177.519 . . 1 . . . . 108 ARG C . 6917 1 454 . 1 1 108 108 ARG CA C 13 59.571 . . 1 . . . . 108 ARG CA . 6917 1 455 . 1 1 108 108 ARG CB C 13 30.374 . . 1 . . . . 108 ARG CB . 6917 1 456 . 1 1 108 108 ARG N N 15 117.771 . . 1 . . . . 108 ARG N . 6917 1 457 . 1 1 109 109 LEU H H 1 7.492 . . 1 . . . . 109 LEU HN . 6917 1 458 . 1 1 109 109 LEU C C 13 179.542 . . 1 . . . . 109 LEU C . 6917 1 459 . 1 1 109 109 LEU CA C 13 58.522 . . 1 . . . . 109 LEU CA . 6917 1 460 . 1 1 109 109 LEU CB C 13 43.913 . . 1 . . . . 109 LEU CB . 6917 1 461 . 1 1 109 109 LEU N N 15 119.568 . . 1 . . . . 109 LEU N . 6917 1 462 . 1 1 110 110 LYS H H 1 8.315 . . 1 . . . . 110 LYS HN . 6917 1 463 . 1 1 110 110 LYS C C 13 177.743 . . 1 . . . . 110 LYS C . 6917 1 464 . 1 1 110 110 LYS CA C 13 60.844 . . 1 . . . . 110 LYS CA . 6917 1 465 . 1 1 110 110 LYS CB C 13 32.857 . . 1 . . . . 110 LYS CB . 6917 1 466 . 1 1 110 110 LYS N N 15 116.190 . . 1 . . . . 110 LYS N . 6917 1 467 . 1 1 111 111 ARG H H 1 7.437 . . 1 . . . . 111 ARG HN . 6917 1 468 . 1 1 111 111 ARG C C 13 178.039 . . 1 . . . . 111 ARG C . 6917 1 469 . 1 1 111 111 ARG CA C 13 59.349 . . 1 . . . . 111 ARG CA . 6917 1 470 . 1 1 111 111 ARG CB C 13 30.829 . . 1 . . . . 111 ARG CB . 6917 1 471 . 1 1 111 111 ARG N N 15 117.138 . . 1 . . . . 111 ARG N . 6917 1 472 . 1 1 112 112 LYS H H 1 7.981 . . 1 . . . . 112 LYS HN . 6917 1 473 . 1 1 112 112 LYS C C 13 177.553 . . 1 . . . . 112 LYS C . 6917 1 474 . 1 1 112 112 LYS CA C 13 58.729 . . 1 . . . . 112 LYS CA . 6917 1 475 . 1 1 112 112 LYS CB C 13 33.143 . . 1 . . . . 112 LYS CB . 6917 1 476 . 1 1 112 112 LYS N N 15 115.638 . . 1 . . . . 112 LYS N . 6917 1 477 . 1 1 113 113 PHE H H 1 7.540 . . 1 . . . . 113 PHE HN . 6917 1 478 . 1 1 113 113 PHE CA C 13 58.884 . . 1 . . . . 113 PHE CA . 6917 1 479 . 1 1 113 113 PHE CB C 13 42.160 . . 1 . . . . 113 PHE CB . 6917 1 480 . 1 1 113 113 PHE N N 15 111.952 . . 1 . . . . 113 PHE N . 6917 1 481 . 1 1 114 114 LEU C C 13 178.506 . . 1 . . . . 114 LEU C . 6917 1 482 . 1 1 114 114 LEU CA C 13 55.476 . . 1 . . . . 114 LEU CA . 6917 1 483 . 1 1 114 114 LEU CB C 13 43.016 . . 1 . . . . 114 LEU CB . 6917 1 484 . 1 1 115 115 SER H H 1 8.103 . . 1 . . . . 115 SER HN . 6917 1 485 . 1 1 115 115 SER C C 13 177.758 . . 1 . . . . 115 SER C . 6917 1 486 . 1 1 115 115 SER CA C 13 62.319 . . 1 . . . . 115 SER CA . 6917 1 487 . 1 1 115 115 SER N N 15 122.114 . . 1 . . . . 115 SER N . 6917 1 488 . 1 1 116 116 GLN H H 1 8.733 . . 1 . . . . 116 GLN HN . 6917 1 489 . 1 1 116 116 GLN C C 13 175.378 . . 1 . . . . 116 GLN C . 6917 1 490 . 1 1 116 116 GLN CA C 13 58.047 . . 1 . . . . 116 GLN CA . 6917 1 491 . 1 1 116 116 GLN CB C 13 28.226 . . 1 . . . . 116 GLN CB . 6917 1 492 . 1 1 116 116 GLN N N 15 121.513 . . 1 . . . . 116 GLN N . 6917 1 493 . 1 1 117 117 PHE H H 1 7.502 . . 1 . . . . 117 PHE HN . 6917 1 494 . 1 1 117 117 PHE C C 13 175.078 . . 1 . . . . 117 PHE C . 6917 1 495 . 1 1 117 117 PHE CA C 13 57.977 . . 1 . . . . 117 PHE CA . 6917 1 496 . 1 1 117 117 PHE CB C 13 40.527 . . 1 . . . . 117 PHE CB . 6917 1 497 . 1 1 117 117 PHE N N 15 117.160 . . 1 . . . . 117 PHE N . 6917 1 498 . 1 1 118 118 GLY H H 1 7.745 . . 1 . . . . 118 GLY HN . 6917 1 499 . 1 1 118 118 GLY C C 13 174.349 . . 1 . . . . 118 GLY C . 6917 1 500 . 1 1 118 118 GLY CA C 13 46.390 . . 1 . . . . 118 GLY CA . 6917 1 501 . 1 1 118 118 GLY N N 15 106.137 . . 1 . . . . 118 GLY N . 6917 1 502 . 1 1 119 119 TRP H H 1 7.325 . . 1 . . . . 119 TRP HN . 6917 1 503 . 1 1 119 119 TRP C C 13 175.347 . . 1 . . . . 119 TRP C . 6917 1 504 . 1 1 119 119 TRP CA C 13 59.018 . . 1 . . . . 119 TRP CA . 6917 1 505 . 1 1 119 119 TRP CB C 13 28.700 . . 1 . . . . 119 TRP CB . 6917 1 506 . 1 1 119 119 TRP N N 15 119.909 . . 1 . . . . 119 TRP N . 6917 1 507 . 1 1 120 120 ARG H H 1 8.021 . . 1 . . . . 120 ARG HN . 6917 1 508 . 1 1 120 120 ARG CA C 13 57.850 . . 1 . . . . 120 ARG CA . 6917 1 509 . 1 1 120 120 ARG CB C 13 32.373 . . 1 . . . . 120 ARG CB . 6917 1 510 . 1 1 120 120 ARG N N 15 127.918 . . 1 . . . . 120 ARG N . 6917 1 stop_ save_