data_15953 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15953 _Entry.Title ; H55K mutant of LC8 at pH 6.7 from Drosophila Melanogaster ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-09-15 _Entry.Accession_date 2008-09-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'H55K mutant of LC8 at pH 6.7 from Drosophila Melanogaster' _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 Justin Hall . D. . 15953 2 Andrea Hall . R. . 15953 3 Nathan Pursifull . . . 15953 4 Elisar Barbar . J. . 15953 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15953 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 172 15953 '15N chemical shifts' 88 15953 '1H chemical shifts' 87 15953 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 3 . . 2009-03-03 2008-09-15 update BMRB 'complete entry citation' 15953 2 . . 2008-10-27 2008-09-15 update author 'update entry citation' 15953 1 . . 2008-09-30 2008-09-15 original author 'original release' 15953 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15953 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18942858 _Citation.Full_citation . _Citation.Title 'Differences in Dynamic Structure of LC8 Monomer, Dimer and Dimer-Peptide Complexes.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 47 _Citation.Journal_issue 46 _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 11940 _Citation.Page_last 11952 _Citation.Year 2008 _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 Justin Hall . D. . 15953 1 2 Andrea Hall . R. . 15953 1 3 Nathan Pursifull . . . 15953 1 4 Elisar Barbar . J. . 15953 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Bim 15953 1 Dynein 15953 1 IC 15953 1 LC8 15953 1 Swa 15953 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15953 _Assembly.ID 1 _Assembly.Name 'H55K mutant of LC8' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 10372 _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 'monomer, chain 1' 1 $H55K_mutant_of_LC8 A . yes native no no . . . 15953 1 2 'monomer, chain 2' 1 $H55K_mutant_of_LC8 B . yes native no no . . . 15953 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1RHW . . 'solution NMR' . 'Similiar to pH induced LC8 monomer' 'H55K mutant of LC8 has structural elements similar to this pH 3 induced monomer' 15953 1 yes PDB 2P2T . . X-ray 3.0 'Obligate monomer of LC8' 'The paper in which the H55K chemical shifts are first reported contains NMR and ITC data for LC8/IC association.' 15953 1 yes PDB 3E2B . . X-ray 2.0 'Obligate monomer of LC8' 'The paper in which the H55K chemical shifts are first reported contains NMR and ITC data for LC8/Swa association.' 15953 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_H55K_mutant_of_LC8 _Entity.Sf_category entity _Entity.Sf_framecode H55K_mutant_of_LC8 _Entity.Entry_ID 15953 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name H55K_mutant_of_LC8 _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 ; MSDRKAVIKNADMSEEMQQD AVDCATQALEKYNIEKDIAA YIKKEFDKKYNPTWKCIVGR NFGSYVTHETRHFIYFYLGQ VAILLFKSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'H55K is an obligate monomer of LC8' _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation H55K _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10372 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 15076 . LC8 . . . . . 100.00 89 98.88 98.88 3.29e-58 . . . . 15953 1 2 no BMRB 15077 . LC8 . . . . . 100.00 89 98.88 98.88 3.29e-58 . . . . 15953 1 3 no BMRB 15078 . LC8 . . . . . 100.00 89 98.88 98.88 3.29e-58 . . . . 15953 1 4 no BMRB 16847 . LC8 . . . . . 100.00 89 98.88 98.88 3.29e-58 . . . . 15953 1 5 no BMRB 17692 . DLC8 . . . . . 100.00 89 98.88 98.88 3.29e-58 . . . . 15953 1 6 no PDB 1RHW . "The Solution Structure Of The Ph-Induced Monomer Of Dynein Light Chain Lc8 From Drosophila" . . . . . 100.00 89 98.88 98.88 3.29e-58 . . . . 15953 1 7 no PDB 2P2T . "Crystal Structure Of Dynein Light Chain Lc8 Bound To Residues 123-138 Of Intermediate Chain Ic74" . . . . . 100.00 89 98.88 98.88 3.29e-58 . . . . 15953 1 8 no PDB 2PG1 . "Structural Analysis Of A Cytoplasmic Dynein Light Chain- Intermediate Chain Complex" . . . . . 100.00 91 98.88 98.88 3.23e-58 . . . . 15953 1 9 no PDB 3BRI . "Crystal Structure Of Apo-Lc8" . . . . . 100.00 89 98.88 98.88 3.29e-58 . . . . 15953 1 10 no PDB 3BRL . "Crystal Structure Of Lc8 S88e SWA" . . . . . 100.00 89 97.75 97.75 1.78e-57 . . . . 15953 1 11 no PDB 3DVH . "Lc8 Point Mutant K36p" . . . . . 100.00 91 97.75 97.75 1.73e-57 . . . . 15953 1 12 no PDB 3DVP . "Pak1 Peptide Bound Lc8" . . . . . 100.00 91 97.75 97.75 1.73e-57 . . . . 15953 1 13 no PDB 3DVT . "Biochemical And Structural Characterization Of The Pak1- Lc8 Interaction" . . . . . 100.00 91 98.88 98.88 3.23e-58 . . . . 15953 1 14 no PDB 3E2B . "Crystal Structure Of Dynein Light Chain Lc8 In Complex With A Peptide Derived From Swallow" . . . . . 100.00 89 98.88 98.88 3.29e-58 . . . . 15953 1 15 no PDB 3FM7 . "Quaternary Structure Of Drosophila Melanogaster IcTCTEX-1LC8; Allosteric Interactions Of Dynein Light Chains With Dynein Interm" . . . . . 100.00 89 98.88 98.88 3.29e-58 . . . . 15953 1 16 no PDB 3GLW . "Quaternary Structure Of Drosophila Melanogaster IcTCTEX-1LC8; Allosteric Interactions Of Dynein Light Chains With Dynein Interm" . . . . . 100.00 89 98.88 98.88 3.29e-58 . . . . 15953 1 17 no PDB 4QH7 . "Lc8 - Ana2 (159-168) Complex" . . . . . 100.00 94 98.88 98.88 3.53e-58 . . . . 15953 1 18 no PDB 4QH8 . "Lc8 - Ana2 (237-246) Complex" . . . . . 100.00 94 98.88 98.88 3.53e-58 . . . . 15953 1 19 no GB AAB04148 . "cytoplasmic dynein light chain 1 [Drosophila melanogaster]" . . . . . 100.00 89 98.88 98.88 3.29e-58 . . . . 15953 1 20 no GB AAD00072 . "8kd dynein light chain [Drosophila melanogaster]" . . . . . 100.00 89 98.88 98.88 3.29e-58 . . . . 15953 1 21 no GB AAD00073 . "8kd dynein light chain [Drosophila melanogaster]" . . . . . 100.00 89 97.75 98.88 9.26e-58 . . . . 15953 1 22 no GB AAD00074 . "8kd dynein light chain [Drosophila melanogaster]" . . . . . 100.00 89 98.88 98.88 3.29e-58 . . . . 15953 1 23 no GB AAF45975 . "cut up, isoform A [Drosophila melanogaster]" . . . . . 100.00 89 98.88 98.88 3.29e-58 . . . . 15953 1 24 no REF NP_001177683 . "dynein light chain A [Nasonia vitripennis]" . . . . . 100.00 89 98.88 98.88 3.29e-58 . . . . 15953 1 25 no REF NP_001245530 . "cut up, isoform E [Drosophila melanogaster]" . . . . . 100.00 89 98.88 98.88 3.29e-58 . . . . 15953 1 26 no REF NP_001245836 . "cytoplasmic dynein light chain 2, isoform C [Drosophila melanogaster]" . . . . . 100.00 89 97.75 98.88 9.26e-58 . . . . 15953 1 27 no REF NP_477408 . "cytoplasmic dynein light chain 2, isoform A [Drosophila melanogaster]" . . . . . 100.00 89 97.75 98.88 9.26e-58 . . . . 15953 1 28 no REF NP_525075 . "cut up, isoform A [Drosophila melanogaster]" . . . . . 100.00 89 98.88 98.88 3.29e-58 . . . . 15953 1 29 no SP O96860 . "RecName: Full=Dynein light chain 2, cytoplasmic; AltName: Full=8 kDa dynein light chain" . . . . . 100.00 89 97.75 98.88 9.26e-58 . . . . 15953 1 30 no SP Q24117 . "RecName: Full=Dynein light chain 1, cytoplasmic; AltName: Full=8 kDa dynein light chain; AltName: Full=Cut up protein" . . . . . 100.00 89 98.88 98.88 3.29e-58 . . . . 15953 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Facilitates partner dimerization' 15953 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 . 15953 1 2 . SER . 15953 1 3 . ASP . 15953 1 4 . ARG . 15953 1 5 . LYS . 15953 1 6 . ALA . 15953 1 7 . VAL . 15953 1 8 . ILE . 15953 1 9 . LYS . 15953 1 10 . ASN . 15953 1 11 . ALA . 15953 1 12 . ASP . 15953 1 13 . MET . 15953 1 14 . SER . 15953 1 15 . GLU . 15953 1 16 . GLU . 15953 1 17 . MET . 15953 1 18 . GLN . 15953 1 19 . GLN . 15953 1 20 . ASP . 15953 1 21 . ALA . 15953 1 22 . VAL . 15953 1 23 . ASP . 15953 1 24 . CYS . 15953 1 25 . ALA . 15953 1 26 . THR . 15953 1 27 . GLN . 15953 1 28 . ALA . 15953 1 29 . LEU . 15953 1 30 . GLU . 15953 1 31 . LYS . 15953 1 32 . TYR . 15953 1 33 . ASN . 15953 1 34 . ILE . 15953 1 35 . GLU . 15953 1 36 . LYS . 15953 1 37 . ASP . 15953 1 38 . ILE . 15953 1 39 . ALA . 15953 1 40 . ALA . 15953 1 41 . TYR . 15953 1 42 . ILE . 15953 1 43 . LYS . 15953 1 44 . LYS . 15953 1 45 . GLU . 15953 1 46 . PHE . 15953 1 47 . ASP . 15953 1 48 . LYS . 15953 1 49 . LYS . 15953 1 50 . TYR . 15953 1 51 . ASN . 15953 1 52 . PRO . 15953 1 53 . THR . 15953 1 54 . TRP . 15953 1 55 . LYS . 15953 1 56 . CYS . 15953 1 57 . ILE . 15953 1 58 . VAL . 15953 1 59 . GLY . 15953 1 60 . ARG . 15953 1 61 . ASN . 15953 1 62 . PHE . 15953 1 63 . GLY . 15953 1 64 . SER . 15953 1 65 . TYR . 15953 1 66 . VAL . 15953 1 67 . THR . 15953 1 68 . HIS . 15953 1 69 . GLU . 15953 1 70 . THR . 15953 1 71 . ARG . 15953 1 72 . HIS . 15953 1 73 . PHE . 15953 1 74 . ILE . 15953 1 75 . TYR . 15953 1 76 . PHE . 15953 1 77 . TYR . 15953 1 78 . LEU . 15953 1 79 . GLY . 15953 1 80 . GLN . 15953 1 81 . VAL . 15953 1 82 . ALA . 15953 1 83 . ILE . 15953 1 84 . LEU . 15953 1 85 . LEU . 15953 1 86 . PHE . 15953 1 87 . LYS . 15953 1 88 . SER . 15953 1 89 . GLY . 15953 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 15953 1 . SER 2 2 15953 1 . ASP 3 3 15953 1 . ARG 4 4 15953 1 . LYS 5 5 15953 1 . ALA 6 6 15953 1 . VAL 7 7 15953 1 . ILE 8 8 15953 1 . LYS 9 9 15953 1 . ASN 10 10 15953 1 . ALA 11 11 15953 1 . ASP 12 12 15953 1 . MET 13 13 15953 1 . SER 14 14 15953 1 . GLU 15 15 15953 1 . GLU 16 16 15953 1 . MET 17 17 15953 1 . GLN 18 18 15953 1 . GLN 19 19 15953 1 . ASP 20 20 15953 1 . ALA 21 21 15953 1 . VAL 22 22 15953 1 . ASP 23 23 15953 1 . CYS 24 24 15953 1 . ALA 25 25 15953 1 . THR 26 26 15953 1 . GLN 27 27 15953 1 . ALA 28 28 15953 1 . LEU 29 29 15953 1 . GLU 30 30 15953 1 . LYS 31 31 15953 1 . TYR 32 32 15953 1 . ASN 33 33 15953 1 . ILE 34 34 15953 1 . GLU 35 35 15953 1 . LYS 36 36 15953 1 . ASP 37 37 15953 1 . ILE 38 38 15953 1 . ALA 39 39 15953 1 . ALA 40 40 15953 1 . TYR 41 41 15953 1 . ILE 42 42 15953 1 . LYS 43 43 15953 1 . LYS 44 44 15953 1 . GLU 45 45 15953 1 . PHE 46 46 15953 1 . ASP 47 47 15953 1 . LYS 48 48 15953 1 . LYS 49 49 15953 1 . TYR 50 50 15953 1 . ASN 51 51 15953 1 . PRO 52 52 15953 1 . THR 53 53 15953 1 . TRP 54 54 15953 1 . LYS 55 55 15953 1 . CYS 56 56 15953 1 . ILE 57 57 15953 1 . VAL 58 58 15953 1 . GLY 59 59 15953 1 . ARG 60 60 15953 1 . ASN 61 61 15953 1 . PHE 62 62 15953 1 . GLY 63 63 15953 1 . SER 64 64 15953 1 . TYR 65 65 15953 1 . VAL 66 66 15953 1 . THR 67 67 15953 1 . HIS 68 68 15953 1 . GLU 69 69 15953 1 . THR 70 70 15953 1 . ARG 71 71 15953 1 . HIS 72 72 15953 1 . PHE 73 73 15953 1 . ILE 74 74 15953 1 . TYR 75 75 15953 1 . PHE 76 76 15953 1 . TYR 77 77 15953 1 . LEU 78 78 15953 1 . GLY 79 79 15953 1 . GLN 80 80 15953 1 . VAL 81 81 15953 1 . ALA 82 82 15953 1 . ILE 83 83 15953 1 . LEU 84 84 15953 1 . LEU 85 85 15953 1 . PHE 86 86 15953 1 . LYS 87 87 15953 1 . SER 88 88 15953 1 . GLY 89 89 15953 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 15953 _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 $H55K_mutant_of_LC8 . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 15953 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 15953 _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 $H55K_mutant_of_LC8 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21E . . . . . . . . . . . . . . . pET15da . . . . . . 15953 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15953 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; H55K concentration was ~1mM in 50mM NaPo4, NaCl. Sample contained 5mM NaN3, DSS, Maleic Acid, and Roche Protease Inhibitor Cocktail. Sample in 10% D2O and 3% glycerol. ; _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 'H55K mutant of LC8' '[U-13C; U-100% 15N]' . . 1 $H55K_mutant_of_LC8 . . 1 . . mM . . . . 15953 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15953 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15953 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 15953 1 5 DSS 'natural abundance' . . . . . . 5 . . mM . . . . 15953 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15953 1 7 glycerol 'natural abundance' . . . . . . 3 . . % . . . . 15953 1 8 'Maleic Acid' 'natural abundance' . . . . . . 5 . . mM . . . . 15953 1 9 'Roche Protease Inhibitor' 'natural abundance' . . . . . . 5 . . mM . . . . 15953 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 15953 _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' 100 . mM 15953 1 pH 6.7 . pH 15953 1 pressure 1 . atm 15953 1 temperature 303.15 . K 15953 1 stop_ save_ ############################ # Computer software used # ############################ save_Burrow_Owl _Software.Sf_category software _Software.Sf_framecode Burrow_Owl _Software.Entry_ID 15953 _Software.ID 1 _Software.Name Burrow_Owl _Software.Version beta _Software.Details 'In house software written by Dr. Greg Benison' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'In house' ; 2011 ALS Building Oregon State University Corvallis OR. 97330 ; http://mac.softpedia.com/get/Math-Scientific/Burrow-owl.shtml 15953 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15953 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 15953 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Magnex _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15953 _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 Magnex . 600 . . . 15953 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 15953 _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 . . . . . . . . . . . . . . . . 15953 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15953 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15953 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15953 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 15953 _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 . indirect 0.251449530 . . . . . . . . . 15953 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15953 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15953 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 15953 _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' . . . 15953 1 2 '3D CBCA(CO)NH' . . . 15953 1 3 '3D HCCH-TOCSY' . . . 15953 1 4 '3D HNCA' . . . 15953 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 2 2 SER H H 1 8.65 0.05 . . . . . . 2 SER H . 15953 1 2 . 1 1 2 2 SER CA C 13 58.3372075698676 . . . . . . . 2 SER CA . 15953 1 3 . 1 1 2 2 SER CB C 13 63.7902766638383 . . . . . . . 2 SER CB . 15953 1 4 . 1 1 2 2 SER N N 15 120.991974894372 0.3 . . . . . . 2 SER N . 15953 1 5 . 1 1 3 3 ASP H H 1 8.50701868204068 0.05 . . . . . . 3 ASP H . 15953 1 6 . 1 1 3 3 ASP CA C 13 54.4233754443152 . . . . . . . 3 ASP CA . 15953 1 7 . 1 1 3 3 ASP CB C 13 41.1367324420915 . . . . . . . 3 ASP CB . 15953 1 8 . 1 1 3 3 ASP N N 15 122.918028078833 0.3 . . . . . . 3 ASP N . 15953 1 9 . 1 1 4 4 ARG H H 1 8.31141167129186 0.05 . . . . . . 4 ARG H . 15953 1 10 . 1 1 4 4 ARG CA C 13 55.6512443464493 . . . . . . . 4 ARG CA . 15953 1 11 . 1 1 4 4 ARG CB C 13 30.8887005322537 . . . . . . . 4 ARG CB . 15953 1 12 . 1 1 4 4 ARG N N 15 121.271113037047 0.3 . . . . . . 4 ARG N . 15953 1 13 . 1 1 5 5 LYS H H 1 8.28745854790343 0.05 . . . . . . 5 LYS H . 15953 1 14 . 1 1 5 5 LYS CA C 13 56.1116951847496 . . . . . . . 5 LYS CA . 15953 1 15 . 1 1 5 5 LYS CB C 13 33.0461809343248 . . . . . . . 5 LYS CB . 15953 1 16 . 1 1 5 5 LYS N N 15 122.160562649378 0.3 . . . . . . 5 LYS N . 15953 1 17 . 1 1 6 6 ALA H H 1 8.58010649553678 0.05 . . . . . . 6 ALA H . 15953 1 18 . 1 1 6 6 ALA CA C 13 51.6606704145135 . . . . . . . 6 ALA CA . 15953 1 19 . 1 1 6 6 ALA CB C 13 21.1800387229336 . . . . . . . 6 ALA CB . 15953 1 20 . 1 1 6 6 ALA N N 15 126.583939120266 0.3 . . . . . . 6 ALA N . 15953 1 21 . 1 1 7 7 VAL H H 1 8.93819653083943 0.05 . . . . . . 7 VAL H . 15953 1 22 . 1 1 7 7 VAL CA C 13 61.9440724698866 . . . . . . . 7 VAL CA . 15953 1 23 . 1 1 7 7 VAL CB C 13 34.1249211353603 . . . . . . . 7 VAL CB . 15953 1 24 . 1 1 7 7 VAL N N 15 123.128779060137 0.3 . . . . . . 7 VAL N . 15953 1 25 . 1 1 8 8 ILE H H 1 9.14092424038841 0.05 . . . . . . 8 ILE H . 15953 1 26 . 1 1 8 8 ILE CA C 13 61.7905888571198 . . . . . . . 8 ILE CA . 15953 1 27 . 1 1 8 8 ILE CB C 13 37.0015616714552 . . . . . . . 8 ILE CB . 15953 1 28 . 1 1 8 8 ILE N N 15 128.870707896813 0.3 . . . . . . 8 ILE N . 15953 1 29 . 1 1 9 9 LYS H H 1 8.78373732356401 0.05 . . . . . . 9 LYS H . 15953 1 30 . 1 1 9 9 LYS CA C 13 56.4186624102831 . . . . . . . 9 LYS CA . 15953 1 31 . 1 1 9 9 LYS CB C 13 32.3270208003011 . . . . . . . 9 LYS CB . 15953 1 32 . 1 1 9 9 LYS N N 15 129.0154624053 0.3 . . . . . . 9 LYS N . 15953 1 33 . 1 1 10 10 ASN H H 1 8.03798896343738 0.05 . . . . . . 10 ASN H . 15953 1 34 . 1 1 10 10 ASN CA C 13 53.1955065421811 . . . . . . . 10 ASN CA . 15953 1 35 . 1 1 10 10 ASN CB C 13 42.395262676633 . . . . . . . 10 ASN CB . 15953 1 36 . 1 1 10 10 ASN N N 15 113.912742019758 0.3 . . . . . . 10 ASN N . 15953 1 37 . 1 1 11 11 ALA H H 1 8.54573334985972 0.05 . . . . . . 11 ALA H . 15953 1 38 . 1 1 11 11 ALA CA C 13 52.4280884783473 . . . . . . . 11 ALA CA . 15953 1 39 . 1 1 11 11 ALA CB C 13 21.8991988569573 . . . . . . . 11 ALA CB . 15953 1 40 . 1 1 11 11 ALA N N 15 122.814737626453 0.3 . . . . . . 11 ALA N . 15953 1 41 . 1 1 12 12 ASP H H 1 7.87646798402994 0.05 . . . . . . 12 ASP H . 15953 1 42 . 1 1 12 12 ASP CA C 13 53.8094409932481 . . . . . . . 12 ASP CA . 15953 1 43 . 1 1 12 12 ASP CB C 13 41.6761025426093 . . . . . . . 12 ASP CB . 15953 1 44 . 1 1 12 12 ASP N N 15 120.077408784939 0.3 . . . . . . 12 ASP N . 15953 1 45 . 1 1 13 13 MET H H 1 7.71875590386461 0.05 . . . . . . 13 MET H . 15953 1 46 . 1 1 13 13 MET CA C 13 55.9582115719828 . . . . . . . 13 MET CA . 15953 1 47 . 1 1 13 13 MET CB C 13 36.6419816044433 . . . . . . . 13 MET CB . 15953 1 48 . 1 1 13 13 MET N N 15 120.020082526478 0.3 . . . . . . 13 MET N . 15953 1 49 . 1 1 14 14 SER H H 1 8.94176904152513 0.05 . . . . . . 14 SER H . 15953 1 50 . 1 1 14 14 SER CA C 13 58.2604657634843 . . . . . . . 14 SER CA . 15953 1 51 . 1 1 14 14 SER CB C 13 64.3296467643561 . . . . . . . 14 SER CB . 15953 1 52 . 1 1 14 14 SER N N 15 121.456000115131 0.3 . . . . . . 14 SER N . 15953 1 53 . 1 1 15 15 GLU H H 1 9.21332699379876 0.05 . . . . . . 15 GLU H . 15953 1 54 . 1 1 15 15 GLU CA C 13 60.7162035677525 . . . . . . . 15 GLU CA . 15953 1 55 . 1 1 15 15 GLU CB C 13 29.0908001971944 . . . . . . . 15 GLU CB . 15953 1 56 . 1 1 15 15 GLU N N 15 122.93577304882 0.3 . . . . . . 15 GLU N . 15953 1 57 . 1 1 16 16 GLU H H 1 9.00577243402242 0.05 . . . . . . 16 GLU H . 15953 1 58 . 1 1 16 16 GLU CA C 13 59.9487855039187 . . . . . . . 16 GLU CA . 15953 1 59 . 1 1 16 16 GLU CB C 13 29.0908001971944 . . . . . . . 16 GLU CB . 15953 1 60 . 1 1 16 16 GLU N N 15 118.955024065411 0.3 . . . . . . 16 GLU N . 15953 1 61 . 1 1 17 17 MET H H 1 7.53840996490595 0.05 . . . . . . 17 MET H . 15953 1 62 . 1 1 17 17 MET CA C 13 60.0 . . . . . . . 17 MET CA . 15953 1 63 . 1 1 17 17 MET CB C 13 33.0461809343248 . . . . . . . 17 MET CB . 15953 1 64 . 1 1 17 17 MET N N 15 120.619700913018 0.3 . . . . . . 17 MET N . 15953 1 65 . 1 1 18 18 GLN H H 1 8.37828190446604 0.05 . . . . . . 18 GLN H . 15953 1 66 . 1 1 18 18 GLN CA C 13 59.7953018911519 . . . . . . . 18 GLN CA . 15953 1 67 . 1 1 18 18 GLN CB C 13 28.3716400631707 . . . . . . . 18 GLN CB . 15953 1 68 . 1 1 18 18 GLN N N 15 118.68964079985 0.3 . . . . . . 18 GLN N . 15953 1 69 . 1 1 19 19 GLN H H 1 7.85288640734451 0.05 . . . . . . 19 GLN H . 15953 1 70 . 1 1 19 19 GLN CA C 13 58.2167856251546 . . . . . . . 19 GLN CA . 15953 1 71 . 1 1 19 19 GLN CB C 13 28.0120599961588 . . . . . . . 19 GLN CB . 15953 1 72 . 1 1 19 19 GLN N N 15 116.852675264262 0.3 . . . . . . 19 GLN N . 15953 1 73 . 1 1 20 20 ASP H H 1 7.8346195825916 0.05 . . . . . . 20 ASP H . 15953 1 74 . 1 1 20 20 ASP CA C 13 57.1860804741169 . . . . . . . 20 ASP CA . 15953 1 75 . 1 1 20 20 ASP CB C 13 40.0 . . . . . . . 20 ASP CB . 15953 1 76 . 1 1 20 20 ASP N N 15 119.484628923924 0.3 . . . . . . 20 ASP N . 15953 1 77 . 1 1 21 21 ALA H H 1 8.59066331446973 0.05 . . . . . . 21 ALA H . 15953 1 78 . 1 1 21 21 ALA CA C 13 56.1116951847496 . . . . . . . 21 ALA CA . 15953 1 79 . 1 1 21 21 ALA CB C 13 18.3033981868387 . . . . . . . 21 ALA CB . 15953 1 80 . 1 1 21 21 ALA N N 15 124.093809116721 0.3 . . . . . . 21 ALA N . 15953 1 81 . 1 1 22 22 VAL H H 1 7.64942752013516 0.05 . . . . . . 22 VAL H . 15953 1 82 . 1 1 22 22 VAL CA C 13 66.855548078423 . . . . . . . 22 VAL CA . 15953 1 83 . 1 1 22 22 VAL CB C 13 31.2482805992655 . . . . . . . 22 VAL CB . 15953 1 84 . 1 1 22 22 VAL N N 15 117.652233489022 0.3 . . . . . . 22 VAL N . 15953 1 85 . 1 1 23 23 ASP H H 1 8.86579377742907 0.05 . . . . . . 23 ASP H . 15953 1 86 . 1 1 23 23 ASP CA C 13 58.1069821507175 . . . . . . . 23 ASP CA . 15953 1 87 . 1 1 23 23 ASP CB C 13 40.2377822745619 . . . . . . . 23 ASP CB . 15953 1 88 . 1 1 23 23 ASP N N 15 123.949054608234 0.3 . . . . . . 23 ASP N . 15953 1 89 . 1 1 24 24 CYS H H 1 9.05886778652335 0.05 . . . . . . 24 CYS H . 15953 1 90 . 1 1 24 24 CYS CA C 13 63.4789085975542 . . . . . . . 24 CYS CA . 15953 1 91 . 1 1 24 24 CYS CB C 13 27.652479929147 . . . . . . . 24 CYS CB . 15953 1 92 . 1 1 24 24 CYS N N 15 119.727048110678 0.3 . . . . . . 24 CYS N . 15953 1 93 . 1 1 25 25 ALA H H 1 8.59549016469709 0.05 . . . . . . 25 ALA H . 15953 1 94 . 1 1 25 25 ALA CA C 13 55.190793508149 . . . . . . . 25 ALA CA . 15953 1 95 . 1 1 25 25 ALA CB C 13 19.7417184548862 . . . . . . . 25 ALA CB . 15953 1 96 . 1 1 25 25 ALA N N 15 121.657108223846 0.3 . . . . . . 25 ALA N . 15953 1 97 . 1 1 26 26 THR H H 1 8.5013252379639 0.05 . . . . . . 26 THR H . 15953 1 98 . 1 1 26 26 THR CA C 13 67.7764497550236 . . . . . . . 26 THR CA . 15953 1 99 . 1 1 26 26 THR CB C 13 68.2850275014865 . . . . . . . 26 THR CB . 15953 1 100 . 1 1 26 26 THR N N 15 115.412253730163 0.3 . . . . . . 26 THR N . 15953 1 101 . 1 1 27 27 GLN H H 1 7.84706350555745 0.05 . . . . . . 27 GLN H . 15953 1 102 . 1 1 27 27 GLN CA C 13 58.5674329890178 . . . . . . . 27 GLN CA . 15953 1 103 . 1 1 27 27 GLN CB C 13 28.3716400631707 . . . . . . . 27 GLN CB . 15953 1 104 . 1 1 27 27 GLN N N 15 120.15550923798 0.3 . . . . . . 27 GLN N . 15953 1 105 . 1 1 28 28 ALA H H 1 8.46999205878581 0.05 . . . . . . 28 ALA H . 15953 1 106 . 1 1 28 28 ALA CA C 13 55.190793508149 . . . . . . . 28 ALA CA . 15953 1 107 . 1 1 28 28 ALA CB C 13 20.101298521898 . . . . . . . 28 ALA CB . 15953 1 108 . 1 1 28 28 ALA N N 15 122.284377760626 0.3 . . . . . . 28 ALA N . 15953 1 109 . 1 1 29 29 LEU H H 1 8.14176624332555 0.05 . . . . . . 29 LEU H . 15953 1 110 . 1 1 29 29 LEU CA C 13 57.0325968613502 . . . . . . . 29 LEU CA . 15953 1 111 . 1 1 29 29 LEU CB C 13 41.6761025426093 . . . . . . . 29 LEU CB . 15953 1 112 . 1 1 29 29 LEU N N 15 115.96343089 0.3 . . . . . . 29 LEU N . 15953 1 113 . 1 1 30 30 GLU H H 1 7.32625113368824 0.05 . . . . . . 30 GLU H . 15953 1 114 . 1 1 30 30 GLU CA C 13 57.0325968613502 . . . . . . . 30 GLU CA . 15953 1 115 . 1 1 30 30 GLU CB C 13 29.8099603312181 . . . . . . . 30 GLU CB . 15953 1 116 . 1 1 30 30 GLU N N 15 116.78929730465 0.3 . . . . . . 30 GLU N . 15953 1 117 . 1 1 31 31 LYS H H 1 7.20413627116012 0.05 . . . . . . 31 LYS H . 15953 1 118 . 1 1 31 31 LYS CA C 13 57.6465313124172 . . . . . . . 31 LYS CA . 15953 1 119 . 1 1 31 31 LYS CB C 13 35.5632414034078 . . . . . . . 31 LYS CB . 15953 1 120 . 1 1 31 31 LYS N N 15 117.363179039589 0.3 . . . . . . 31 LYS N . 15953 1 121 . 1 1 32 32 TYR H H 1 8.27209119946419 0.05 . . . . . . 32 TYR H . 15953 1 122 . 1 1 32 32 TYR CA C 13 57.0325968613502 . . . . . . . 32 TYR CA . 15953 1 123 . 1 1 32 32 TYR CB C 13 42.395262676633 . . . . . . . 32 TYR CB . 15953 1 124 . 1 1 32 32 TYR N N 15 117.242095714974 0.3 . . . . . . 32 TYR N . 15953 1 125 . 1 1 33 33 ASN H H 1 8.46275178344478 0.05 . . . . . . 33 ASN H . 15953 1 126 . 1 1 33 33 ASN CA C 13 52.7350557038808 . . . . . . . 33 ASN CA . 15953 1 127 . 1 1 33 33 ASN CB C 13 40.2377822745619 . . . . . . . 33 ASN CB . 15953 1 128 . 1 1 33 33 ASN N N 15 114.009245025417 0.3 . . . . . . 33 ASN N . 15953 1 129 . 1 1 34 34 ILE H H 1 7.86180893013886 0.05 . . . . . . 34 ILE H . 15953 1 130 . 1 1 34 34 ILE CA C 13 60.0 . . . . . . . 34 ILE CA . 15953 1 131 . 1 1 34 34 ILE CB C 13 38.4398819395026 . . . . . . . 34 ILE CB . 15953 1 132 . 1 1 34 34 ILE N N 15 121.198718946969 0.3 . . . . . . 34 ILE N . 15953 1 133 . 1 1 35 35 GLU H H 1 9.88908602562872 0.05 . . . . . . 35 GLU H . 15953 1 134 . 1 1 35 35 GLU CA C 13 62.2510396954201 . . . . . . . 35 GLU CA . 15953 1 135 . 1 1 35 35 GLU CB C 13 28.3716400631707 . . . . . . . 35 GLU CB . 15953 1 136 . 1 1 35 35 GLU N N 15 129.690983444909 0.3 . . . . . . 35 GLU N . 15953 1 137 . 1 1 36 36 LYS H H 1 8.5279142615141 0.05 . . . . . . 36 LYS H . 15953 1 138 . 1 1 36 36 LYS CA C 13 59.4883346656184 . . . . . . . 36 LYS CA . 15953 1 139 . 1 1 36 36 LYS CB C 13 31.9674407332892 . . . . . . . 36 LYS CB . 15953 1 140 . 1 1 36 36 LYS N N 15 116.301191409804 0.3 . . . . . . 36 LYS N . 15953 1 141 . 1 1 37 37 ASP H H 1 7.08951289376177 0.05 . . . . . . 37 ASP H . 15953 1 142 . 1 1 37 37 ASP CA C 13 56.5721460230499 . . . . . . . 37 ASP CA . 15953 1 143 . 1 1 37 37 ASP CB C 13 39.87820220755 . . . . . . . 37 ASP CB . 15953 1 144 . 1 1 37 37 ASP N N 15 120.619700913018 0.3 . . . . . . 37 ASP N . 15953 1 145 . 1 1 38 38 ILE H H 1 7.74596452468229 0.05 . . . . . . 38 ILE H . 15953 1 146 . 1 1 38 38 ILE CA C 13 65.7811627890556 . . . . . . . 38 ILE CA . 15953 1 147 . 1 1 38 38 ILE CB C 13 38.4398819395026 . . . . . . . 38 ILE CB . 15953 1 148 . 1 1 38 38 ILE N N 15 122.815144291747 0.3 . . . . . . 38 ILE N . 15953 1 149 . 1 1 39 39 ALA H H 1 8.1706248165249 0.05 . . . . . . 39 ALA H . 15953 1 150 . 1 1 39 39 ALA CA C 13 55.0373098953822 . . . . . . . 39 ALA CA . 15953 1 151 . 1 1 39 39 ALA CB C 13 18.3033981868387 . . . . . . . 39 ALA CB . 15953 1 152 . 1 1 39 39 ALA N N 15 119.10518283023 0.3 . . . . . . 39 ALA N . 15953 1 153 . 1 1 40 40 ALA H H 1 7.60598586808895 0.05 . . . . . . 40 ALA H . 15953 1 154 . 1 1 40 40 ALA CA C 13 54.8838262826155 . . . . . . . 40 ALA CA . 15953 1 155 . 1 1 40 40 ALA CB C 13 18.3033981868387 . . . . . . . 40 ALA CB . 15953 1 156 . 1 1 40 40 ALA N N 15 117.652233489022 0.3 . . . . . . 40 ALA N . 15953 1 157 . 1 1 41 41 TYR H H 1 7.68321547172665 0.05 . . . . . . 41 TYR H . 15953 1 158 . 1 1 41 41 TYR CA C 13 61.9440724698866 . . . . . . . 41 TYR CA . 15953 1 159 . 1 1 41 41 TYR CB C 13 38.4398819395026 . . . . . . . 41 TYR CB . 15953 1 160 . 1 1 41 41 TYR N N 15 119.2686588338 0.3 . . . . . . 41 TYR N . 15953 1 161 . 1 1 42 42 ILE H H 1 7.69286917218137 0.05 . . . . . . 42 ILE H . 15953 1 162 . 1 1 42 42 ILE CA C 13 65.6276791762889 . . . . . . . 42 ILE CA . 15953 1 163 . 1 1 42 42 ILE CB C 13 38.0803018724907 . . . . . . . 42 ILE CB . 15953 1 164 . 1 1 42 42 ILE N N 15 118.617263545606 0.3 . . . . . . 42 ILE N . 15953 1 165 . 1 1 43 43 LYS H H 1 8.17555419491705 0.05 . . . . . . 43 LYS H . 15953 1 166 . 1 1 43 43 LYS CA C 13 60.5627199549857 . . . . . . . 43 LYS CA . 15953 1 167 . 1 1 43 43 LYS CB C 13 33.4057610013366 . . . . . . . 43 LYS CB . 15953 1 168 . 1 1 43 43 LYS N N 15 117.579856234778 0.3 . . . . . . 43 LYS N . 15953 1 169 . 1 1 44 44 LYS H H 1 8.084728807838 0.05 . . . . . . 44 LYS H . 15953 1 170 . 1 1 44 44 LYS CA C 13 59.4883346656184 . . . . . . . 44 LYS CA . 15953 1 171 . 1 1 44 44 LYS CB C 13 31.9674407332892 . . . . . . . 44 LYS CB . 15953 1 172 . 1 1 44 44 LYS N N 15 117.913342528035 0.3 . . . . . . 44 LYS N . 15953 1 173 . 1 1 45 45 GLU H H 1 7.75609897894972 0.05 . . . . . . 45 GLU H . 15953 1 174 . 1 1 45 45 GLU CA C 13 58.7209166017846 . . . . . . . 45 GLU CA . 15953 1 175 . 1 1 45 45 GLU CB C 13 30.1695403982299 . . . . . . . 45 GLU CB . 15953 1 176 . 1 1 45 45 GLU N N 15 118.733617149444 0.3 . . . . . . 45 GLU N . 15953 1 177 . 1 1 46 46 PHE H H 1 8.38793560492075 0.05 . . . . . . 46 PHE H . 15953 1 178 . 1 1 46 46 PHE CA C 13 63.4789085975542 . . . . . . . 46 PHE CA . 15953 1 179 . 1 1 46 46 PHE CB C 13 36.2824015374315 . . . . . . . 46 PHE CB . 15953 1 180 . 1 1 46 46 PHE N N 15 123.611294088429 0.3 . . . . . . 46 PHE N . 15953 1 181 . 1 1 47 47 ASP H H 1 9.00094558379507 0.05 . . . . . . 47 ASP H . 15953 1 182 . 1 1 47 47 ASP CA C 13 57.4930476996505 . . . . . . . 47 ASP CA . 15953 1 183 . 1 1 47 47 ASP CB C 13 39.87820220755 . . . . . . . 47 ASP CB . 15953 1 184 . 1 1 47 47 ASP N N 15 120.257814641799 0.3 . . . . . . 47 ASP N . 15953 1 185 . 1 1 48 48 LYS H H 1 7.39360445808525 0.05 . . . . . . 48 LYS H . 15953 1 186 . 1 1 48 48 LYS CA C 13 59.0278838273181 . . . . . . . 48 LYS CA . 15953 1 187 . 1 1 48 48 LYS CB C 13 33.0461809343248 . . . . . . . 48 LYS CB . 15953 1 188 . 1 1 48 48 LYS N N 15 117.266221466388 0.3 . . . . . . 48 LYS N . 15953 1 189 . 1 1 49 49 LYS H H 1 7.77492562604643 0.05 . . . . . . 49 LYS H . 15953 1 190 . 1 1 49 49 LYS CA C 13 59.1813674400848 . . . . . . . 49 LYS CA . 15953 1 191 . 1 1 49 49 LYS CB C 13 33.7653410683485 . . . . . . . 49 LYS CB . 15953 1 192 . 1 1 49 49 LYS N N 15 117.507478980534 0.3 . . . . . . 49 LYS N . 15953 1 193 . 1 1 50 50 TYR H H 1 8.46485536003135 0.05 . . . . . . 50 TYR H . 15953 1 194 . 1 1 50 50 TYR CA C 13 57.9534985379507 . . . . . . . 50 TYR CA . 15953 1 195 . 1 1 50 50 TYR CB C 13 39.1590420735263 . . . . . . . 50 TYR CB . 15953 1 196 . 1 1 50 50 TYR N N 15 115.448313414211 0.3 . . . . . . 50 TYR N . 15953 1 197 . 1 1 51 51 ASN H H 1 6.94434915125794 0.05 . . . . . . 51 ASN H . 15953 1 198 . 1 1 51 51 ASN CA C 13 55.190793508149 . . . . . . . 51 ASN CA . 15953 1 199 . 1 1 51 51 ASN CB C 13 40.0 . . . . . . . 51 ASN CB . 15953 1 200 . 1 1 51 51 ASN N N 15 112.624995185006 0.3 . . . . . . 51 ASN N . 15953 1 201 . 1 1 52 52 PRO CA C 13 60.5627199549857 . . . . . . . 52 PRO CA . 15953 1 202 . 1 1 52 52 PRO CB C 13 31.9674407332892 . . . . . . . 52 PRO CB . 15953 1 203 . 1 1 52 52 PRO N N 15 119.644599641986 0.3 . . . . . . 52 PRO N . 15953 1 204 . 1 1 53 53 THR H H 1 7.95338098197481 0.05 . . . . . . 53 THR H . 15953 1 205 . 1 1 53 53 THR CA C 13 64.8602611124551 . . . . . . . 53 THR CA . 15953 1 206 . 1 1 53 53 THR CB C 13 70.4425079035576 . . . . . . . 53 THR CB . 15953 1 207 . 1 1 53 53 THR N N 15 119.596284180994 0.3 . . . . . . 53 THR N . 15953 1 208 . 1 1 54 54 TRP H H 1 10.0604392086999 0.05 . . . . . . 54 TRP H . 15953 1 209 . 1 1 54 54 TRP CA C 13 56.5721460230499 . . . . . . . 54 TRP CA . 15953 1 210 . 1 1 54 54 TRP CB C 13 29.4503802642062 . . . . . . . 54 TRP CB . 15953 1 211 . 1 1 54 54 TRP N N 15 129.160216913788 0.3 . . . . . . 54 TRP N . 15953 1 212 . 1 1 55 55 LYS H H 1 9.21332699379876 0.05 . . . . . . 55 LYS H . 15953 1 213 . 1 1 55 55 LYS CA C 13 54.8838262826155 . . . . . . . 55 LYS CA . 15953 1 214 . 1 1 55 55 LYS CB C 13 34.844081269384 . . . . . . . 55 LYS CB . 15953 1 215 . 1 1 55 55 LYS N N 15 121.584730969602 0.3 . . . . . . 55 LYS N . 15953 1 216 . 1 1 56 56 CYS H H 1 8.38793560492075 0.05 . . . . . . 56 CYS H . 15953 1 217 . 1 1 56 56 CYS CA C 13 56.1116951847496 . . . . . . . 56 CYS CA . 15953 1 218 . 1 1 56 56 CYS CB C 13 29.4503802642062 . . . . . . . 56 CYS CB . 15953 1 219 . 1 1 56 56 CYS N N 15 122.477383771943 0.3 . . . . . . 56 CYS N . 15953 1 220 . 1 1 57 57 ILE H H 1 9.37261305130154 0.05 . . . . . . 57 ILE H . 15953 1 221 . 1 1 57 57 ILE CA C 13 56.1116951847496 . . . . . . . 57 ILE CA . 15953 1 222 . 1 1 57 57 ILE CB C 13 40.5973623415737 . . . . . . . 57 ILE CB . 15953 1 223 . 1 1 57 57 ILE N N 15 130.607761998664 0.3 . . . . . . 57 ILE N . 15953 1 224 . 1 1 58 58 VAL H H 1 8.58212844528249 0.05 . . . . . . 58 VAL H . 15953 1 225 . 1 1 58 58 VAL CA C 13 60.3324945358356 . . . . . . . 58 VAL CA . 15953 1 226 . 1 1 58 58 VAL CB C 13 34.6642912358781 . . . . . . . 58 VAL CB . 15953 1 227 . 1 1 58 58 VAL N N 15 126.870570412571 0.3 . . . . . . 58 VAL N . 15953 1 228 . 1 1 59 59 GLY H H 1 9.1312705399337 0.05 . . . . . . 59 GLY H . 15953 1 229 . 1 1 59 59 GLY CA C 13 46.2120021612934 . . . . . . . 59 GLY CA . 15953 1 230 . 1 1 59 59 GLY N N 15 113.8162390141 0.3 . . . . . . 59 GLY N . 15953 1 231 . 1 1 60 60 ARG H H 1 8.554589963905 0.05 . . . . . . 60 ARG H . 15953 1 232 . 1 1 60 60 ARG CA C 13 55.4210189272992 . . . . . . . 60 ARG CA . 15953 1 233 . 1 1 60 60 ARG CB C 13 28.5514300966766 . . . . . . . 60 ARG CB . 15953 1 234 . 1 1 60 60 ARG N N 15 122.134222668791 0.3 . . . . . . 60 ARG N . 15953 1 235 . 1 1 61 61 ASN H H 1 7.84539142158943 0.05 . . . . . . 61 ASN H . 15953 1 236 . 1 1 61 61 ASN CA C 13 53.579215574098 . . . . . . . 61 ASN CA . 15953 1 237 . 1 1 61 61 ASN CB C 13 38.9792520400204 . . . . . . . 61 ASN CB . 15953 1 238 . 1 1 61 61 ASN N N 15 116.811828171903 0.3 . . . . . . 61 ASN N . 15953 1 239 . 1 1 62 62 PHE H H 1 8.08867089082463 0.05 . . . . . . 62 PHE H . 15953 1 240 . 1 1 62 62 PHE CA C 13 57.3395640868837 . . . . . . . 62 PHE CA . 15953 1 241 . 1 1 62 62 PHE CB C 13 38.7994620065144 . . . . . . . 62 PHE CB . 15953 1 242 . 1 1 62 62 PHE N N 15 121.10221594131 0.3 . . . . . . 62 PHE N . 15953 1 243 . 1 1 63 63 GLY H H 1 8.42896383185328 0.05 . . . . . . 63 GLY H . 15953 1 244 . 1 1 63 63 GLY CA C 13 46.5957111932103 . . . . . . . 63 GLY CA . 15953 1 245 . 1 1 63 63 GLY N N 15 108.701579714204 0.3 . . . . . . 63 GLY N . 15953 1 246 . 1 1 64 64 SER H H 1 8.25552395393505 0.05 . . . . . . 64 SER H . 15953 1 247 . 1 1 64 64 SER CA C 13 58.7209166017846 . . . . . . . 64 SER CA . 15953 1 248 . 1 1 64 64 SER CB C 13 63.2509065633205 . . . . . . . 64 SER CB . 15953 1 249 . 1 1 64 64 SER N N 15 114.920720291178 0.3 . . . . . . 64 SER N . 15953 1 250 . 1 1 65 65 TYR H H 1 7.81836727809265 0.05 . . . . . . 65 TYR H . 15953 1 251 . 1 1 65 65 TYR CA C 13 58.5674329890178 . . . . . . . 65 TYR CA . 15953 1 252 . 1 1 65 65 TYR CB C 13 39.1590420735263 . . . . . . . 65 TYR CB . 15953 1 253 . 1 1 65 65 TYR N N 15 121.15046744414 0.3 . . . . . . 65 TYR N . 15953 1 254 . 1 1 66 66 VAL H H 1 7.38877760785789 0.05 . . . . . . 66 VAL H . 15953 1 255 . 1 1 66 66 VAL CA C 13 61.9440724698866 . . . . . . . 66 VAL CA . 15953 1 256 . 1 1 66 66 VAL CB C 13 32.3270208003011 . . . . . . . 66 VAL CB . 15953 1 257 . 1 1 66 66 VAL N N 15 120.378443398872 0.3 . . . . . . 66 VAL N . 15953 1 258 . 1 1 67 67 THR H H 1 8.1031514415067 0.05 . . . . . . 67 THR H . 15953 1 259 . 1 1 67 67 THR CA C 13 60.3742660272257 . . . . . . . 67 THR CA . 15953 1 260 . 1 1 67 67 THR CB C 13 69.7233477695339 . . . . . . . 67 THR CB . 15953 1 261 . 1 1 67 67 THR N N 15 116.880209443755 0.3 . . . . . . 67 THR N . 15953 1 262 . 1 1 68 68 HIS H H 1 7.9473105074983 0.05 . . . . . . 68 HIS H . 15953 1 263 . 1 1 68 68 HIS CA C 13 60.7162035677525 . . . . . . . 68 HIS CA . 15953 1 264 . 1 1 68 68 HIS CB C 13 29.0908001971944 . . . . . . . 68 HIS CB . 15953 1 265 . 1 1 68 68 HIS N N 15 115.602454766841 0.3 . . . . . . 68 HIS N . 15953 1 266 . 1 1 69 69 GLU H H 1 8.09135378419943 0.05 . . . . . . 69 GLU H . 15953 1 267 . 1 1 69 69 GLU CA C 13 56.4186624102831 . . . . . . . 69 GLU CA . 15953 1 268 . 1 1 69 69 GLU CB C 13 29.4503802642062 . . . . . . . 69 GLU CB . 15953 1 269 . 1 1 69 69 GLU N N 15 118.507645424559 0.3 . . . . . . 69 GLU N . 15953 1 270 . 1 1 70 70 THR H H 1 7.68530108417218 0.05 . . . . . . 70 THR H . 15953 1 271 . 1 1 70 70 THR CA C 13 63.1719413720207 . . . . . . . 70 THR CA . 15953 1 272 . 1 1 70 70 THR CB C 13 68.6446075684983 . . . . . . . 70 THR CB . 15953 1 273 . 1 1 70 70 THR N N 15 116.978504086039 0.3 . . . . . . 70 THR N . 15953 1 274 . 1 1 71 71 ARG H H 1 8.4603383583311 0.05 . . . . . . 71 ARG H . 15953 1 275 . 1 1 71 71 ARG CA C 13 55.190793508149 . . . . . . . 71 ARG CA . 15953 1 276 . 1 1 71 71 ARG CB C 13 28.0120599961588 . . . . . . . 71 ARG CB . 15953 1 277 . 1 1 71 71 ARG N N 15 124.14206061955 0.3 . . . . . . 71 ARG N . 15953 1 278 . 1 1 72 72 HIS H H 1 8.50596909420448 0.05 . . . . . . 72 HIS H . 15953 1 279 . 1 1 72 72 HIS CA C 13 59.4883346656184 . . . . . . . 72 HIS CA . 15953 1 280 . 1 1 72 72 HIS CB C 13 33.4057610013366 . . . . . . . 72 HIS CB . 15953 1 281 . 1 1 72 72 HIS N N 15 115.736818175813 0.3 . . . . . . 72 HIS N . 15953 1 282 . 1 1 73 73 PHE H H 1 8.08424163088361 0.05 . . . . . . 73 PHE H . 15953 1 283 . 1 1 73 73 PHE CA C 13 56.4186624102831 . . . . . . . 73 PHE CA . 15953 1 284 . 1 1 73 73 PHE CB C 13 44.1931630116923 . . . . . . . 73 PHE CB . 15953 1 285 . 1 1 73 73 PHE N N 15 118.439339081599 0.3 . . . . . . 73 PHE N . 15953 1 286 . 1 1 74 74 ILE H H 1 9.3799789770178 0.05 . . . . . . 74 ILE H . 15953 1 287 . 1 1 74 74 ILE CA C 13 61.4836216315863 . . . . . . . 74 ILE CA . 15953 1 288 . 1 1 74 74 ILE CB C 13 40.5973623415737 . . . . . . . 74 ILE CB . 15953 1 289 . 1 1 74 74 ILE N N 15 119.850717237606 0.3 . . . . . . 74 ILE N . 15953 1 290 . 1 1 75 75 TYR H H 1 8.9526770815215 0.05 . . . . . . 75 TYR H . 15953 1 291 . 1 1 75 75 TYR CA C 13 54.2698918315484 . . . . . . . 75 TYR CA . 15953 1 292 . 1 1 75 75 TYR CB C 13 40.2377822745619 . . . . . . . 75 TYR CB . 15953 1 293 . 1 1 75 75 TYR N N 15 128.195186857204 0.3 . . . . . . 75 TYR N . 15953 1 294 . 1 1 76 76 PHE H H 1 9.64291666403352 0.05 . . . . . . 76 PHE H . 15953 1 295 . 1 1 76 76 PHE CA C 13 54.8838262826155 . . . . . . . 76 PHE CA . 15953 1 296 . 1 1 76 76 PHE CB C 13 42.7548427436448 . . . . . . . 76 PHE CB . 15953 1 297 . 1 1 76 76 PHE N N 15 124.986461919061 0.3 . . . . . . 76 PHE N . 15953 1 298 . 1 1 77 77 TYR H H 1 9.1650584915252 0.05 . . . . . . 77 TYR H . 15953 1 299 . 1 1 77 77 TYR CA C 13 55.4977607336825 . . . . . . . 77 TYR CA . 15953 1 300 . 1 1 77 77 TYR CB C 13 41.6761025426093 . . . . . . . 77 TYR CB . 15953 1 301 . 1 1 77 77 TYR N N 15 118.038245511656 0.3 . . . . . . 77 TYR N . 15953 1 302 . 1 1 78 78 LEU H H 1 8.64858551719802 0.05 . . . . . . 78 LEU H . 15953 1 303 . 1 1 78 78 LEU CA C 13 53.8094409932481 . . . . . . . 78 LEU CA . 15953 1 304 . 1 1 78 78 LEU CB C 13 43.1144228106567 . . . . . . . 78 LEU CB . 15953 1 305 . 1 1 78 78 LEU N N 15 122.380880766284 0.3 . . . . . . 78 LEU N . 15953 1 306 . 1 1 79 79 GLY H H 1 8.93336968061207 0.05 . . . . . . 79 GLY H . 15953 1 307 . 1 1 79 79 GLY CA C 13 47.0561620315106 . . . . . . . 79 GLY CA . 15953 1 308 . 1 1 79 79 GLY N N 15 114.974275082001 0.3 . . . . . . 79 GLY N . 15953 1 309 . 1 1 80 80 GLN H H 1 9.07334833720542 0.05 . . . . . . 80 GLN H . 15953 1 310 . 1 1 80 80 GLN CA C 13 55.9582115719828 . . . . . . . 80 GLN CA . 15953 1 311 . 1 1 80 80 GLN CB C 13 29.0908001971944 . . . . . . . 80 GLN CB . 15953 1 312 . 1 1 80 80 GLN N N 15 124.962336167647 0.3 . . . . . . 80 GLN N . 15953 1 313 . 1 1 81 81 VAL H H 1 7.94869223423128 0.05 . . . . . . 81 VAL H . 15953 1 314 . 1 1 81 81 VAL CA C 13 62.8649741464871 . . . . . . . 81 VAL CA . 15953 1 315 . 1 1 81 81 VAL CB C 13 32.3270208003011 . . . . . . . 81 VAL CB . 15953 1 316 . 1 1 81 81 VAL N N 15 121.005712935652 0.3 . . . . . . 81 VAL N . 15953 1 317 . 1 1 82 82 ALA H H 1 8.22864954741797 0.05 . . . . . . 82 ALA H . 15953 1 318 . 1 1 82 82 ALA CA C 13 50.5862851251461 . . . . . . . 82 ALA CA . 15953 1 319 . 1 1 82 82 ALA CB C 13 20.101298521898 . . . . . . . 82 ALA CB . 15953 1 320 . 1 1 82 82 ALA N N 15 129.594480439251 0.3 . . . . . . 82 ALA N . 15953 1 321 . 1 1 83 83 ILE H H 1 8.93819653083943 0.05 . . . . . . 83 ILE H . 15953 1 322 . 1 1 83 83 ILE CA C 13 61.023170793286 . . . . . . . 83 ILE CA . 15953 1 323 . 1 1 83 83 ILE CB C 13 39.5186221405381 . . . . . . . 83 ILE CB . 15953 1 324 . 1 1 83 83 ILE N N 15 121.777736980919 0.3 . . . . . . 83 ILE N . 15953 1 325 . 1 1 84 84 LEU H H 1 8.74994937197251 0.05 . . . . . . 84 LEU H . 15953 1 326 . 1 1 84 84 LEU CA C 13 53.4257319613312 . . . . . . . 84 LEU CA . 15953 1 327 . 1 1 84 84 LEU CB C 13 44.3729530451982 . . . . . . . 84 LEU CB . 15953 1 328 . 1 1 84 84 LEU N N 15 127.567917320424 0.3 . . . . . . 84 LEU N . 15953 1 329 . 1 1 85 85 LEU H H 1 8.87544747788379 0.05 . . . . . . 85 LEU H . 15953 1 330 . 1 1 85 85 LEU CA C 13 53.4257319613312 . . . . . . . 85 LEU CA . 15953 1 331 . 1 1 85 85 LEU CB C 13 46.5304334472693 . . . . . . . 85 LEU CB . 15953 1 332 . 1 1 85 85 LEU N N 15 130.22174997603 0.3 . . . . . . 85 LEU N . 15953 1 333 . 1 1 86 86 PHE H H 1 9.30021029789119 0.05 . . . . . . 86 PHE H . 15953 1 334 . 1 1 86 86 PHE CA C 13 56.188436991133 . . . . . . . 86 PHE CA . 15953 1 335 . 1 1 86 86 PHE CB C 13 41.8558925761152 . . . . . . . 86 PHE CB . 15953 1 336 . 1 1 86 86 PHE N N 15 121.584730969602 0.3 . . . . . . 86 PHE N . 15953 1 337 . 1 1 87 87 LYS H H 1 8.09832459127934 0.05 . . . . . . 87 LYS H . 15953 1 338 . 1 1 87 87 LYS CA C 13 55.4210189272992 . . . . . . . 87 LYS CA . 15953 1 339 . 1 1 87 87 LYS CB C 13 33.2259709678307 . . . . . . . 87 LYS CB . 15953 1 340 . 1 1 87 87 LYS N N 15 123.345910822868 0.3 . . . . . . 87 LYS N . 15953 1 341 . 1 1 88 88 SER H H 1 8.75517289608716 0.05 . . . . . . 88 SER H . 15953 1 342 . 1 1 88 88 SER CA C 13 58.6441747954012 . . . . . . . 88 SER CA . 15953 1 343 . 1 1 88 88 SER CB C 13 64.1498567308502 . . . . . . . 88 SER CB . 15953 1 344 . 1 1 88 88 SER N N 15 124.37476917673 0.3 . . . . . . 88 SER N . 15953 1 345 . 1 1 89 89 GLY H H 1 7.96166657314667 0.05 . . . . . . 89 GLY H . 15953 1 346 . 1 1 89 89 GLY CA C 13 46.3654857740601 . . . . . . . 89 GLY CA . 15953 1 347 . 1 1 89 89 GLY N N 15 117.552390613654 0.3 . . . . . . 89 GLY N . 15953 1 stop_ save_