data_17692 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17692 _Entry.Title ; backbone resonance assignment of the DMSO-d6 denatured DLC8 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-06-07 _Entry.Accession_date 2011-06-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Swagata Chakraborty . . . 17692 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17692 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 260 17692 '15N chemical shifts' 88 17692 '1H chemical shifts' 180 17692 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-02-17 2011-06-07 update BMRB 'udpate entry citation' 17692 1 . . 2011-12-12 2011-06-07 original author 'original release' 17692 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17692 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22079190 _Citation.Full_citation . _Citation.Title 'Residual structure and dynamics in DMSO-d6 denatured Dynein Light Chain protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochimie _Citation.Journal_name_full Biochimie _Citation.Journal_volume 94 _Citation.Journal_issue 1 _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 231 _Citation.Page_last 241 _Citation.Year 2012 _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 Swagata Chakraborty . . . 17692 1 2 'P. M Krishna' Mohan . . . 17692 1 3 Ramakrishna Hosur . V. . 17692 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17692 _Assembly.ID 1 _Assembly.Name 'Dynein Light Chain 8' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 DLC8 1 $DLC8 A . yes denatured no yes . . . 17692 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DLC8 _Entity.Sf_category entity _Entity.Sf_framecode DLC8 _Entity.Entry_ID 17692 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DLC8 _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 YIKKEFDKKYNPTWHCIVGR NFGSYVTHETRHFIYFYLGQ VAILLFKSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites yes _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 . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15076 . LC8 . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 17692 1 2 no BMRB 15077 . LC8 . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 17692 1 3 no BMRB 15078 . LC8 . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 17692 1 4 no BMRB 15953 . H55K_mutant_of_LC8 . . . . . 100.00 89 98.88 98.88 3.29e-58 . . . . 17692 1 5 no BMRB 16847 . LC8 . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 17692 1 6 no PDB 1RHW . "The Solution Structure Of The Ph-Induced Monomer Of Dynein Light Chain Lc8 From Drosophila" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 17692 1 7 no PDB 2P2T . "Crystal Structure Of Dynein Light Chain Lc8 Bound To Residues 123-138 Of Intermediate Chain Ic74" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 17692 1 8 no PDB 2PG1 . "Structural Analysis Of A Cytoplasmic Dynein Light Chain- Intermediate Chain Complex" . . . . . 100.00 91 100.00 100.00 2.14e-59 . . . . 17692 1 9 no PDB 3BRI . "Crystal Structure Of Apo-Lc8" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 17692 1 10 no PDB 3BRL . "Crystal Structure Of Lc8 S88e SWA" . . . . . 100.00 89 98.88 98.88 1.11e-58 . . . . 17692 1 11 no PDB 3DVH . "Lc8 Point Mutant K36p" . . . . . 100.00 91 98.88 98.88 1.27e-58 . . . . 17692 1 12 no PDB 3DVP . "Pak1 Peptide Bound Lc8" . . . . . 100.00 91 98.88 98.88 1.27e-58 . . . . 17692 1 13 no PDB 3DVT . "Biochemical And Structural Characterization Of The Pak1- Lc8 Interaction" . . . . . 100.00 91 100.00 100.00 2.14e-59 . . . . 17692 1 14 no PDB 3E2B . "Crystal Structure Of Dynein Light Chain Lc8 In Complex With A Peptide Derived From Swallow" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 17692 1 15 no PDB 3FM7 . "Quaternary Structure Of Drosophila Melanogaster IcTCTEX-1LC8; Allosteric Interactions Of Dynein Light Chains With Dynein Interm" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 17692 1 16 no PDB 3GLW . "Quaternary Structure Of Drosophila Melanogaster IcTCTEX-1LC8; Allosteric Interactions Of Dynein Light Chains With Dynein Interm" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 17692 1 17 no PDB 4QH7 . "Lc8 - Ana2 (159-168) Complex" . . . . . 100.00 94 100.00 100.00 2.39e-59 . . . . 17692 1 18 no PDB 4QH8 . "Lc8 - Ana2 (237-246) Complex" . . . . . 100.00 94 100.00 100.00 2.39e-59 . . . . 17692 1 19 no EMBL CDQ62741 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 100.00 132 97.75 100.00 1.72e-57 . . . . 17692 1 20 no EMBL CDQ75050 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 100.00 89 97.75 100.00 2.92e-58 . . . . 17692 1 21 no GB AAB04148 . "cytoplasmic dynein light chain 1 [Drosophila melanogaster]" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 17692 1 22 no GB AAD00072 . "8kd dynein light chain [Drosophila melanogaster]" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 17692 1 23 no GB AAD00073 . "8kd dynein light chain [Drosophila melanogaster]" . . . . . 100.00 89 98.88 100.00 6.55e-59 . . . . 17692 1 24 no GB AAD00074 . "8kd dynein light chain [Drosophila melanogaster]" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 17692 1 25 no GB AAF45975 . "cut up, isoform A [Drosophila melanogaster]" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 17692 1 26 no REF NP_001135068 . "Dynein light chain 1, cytoplasmic [Salmo salar]" . . . . . 100.00 89 97.75 100.00 2.92e-58 . . . . 17692 1 27 no REF NP_001177683 . "dynein light chain A [Nasonia vitripennis]" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 17692 1 28 no REF NP_001188181 . "dynein light chain 1 cytoplasmic [Ictalurus punctatus]" . . . . . 100.00 89 97.75 100.00 2.92e-58 . . . . 17692 1 29 no REF NP_001245530 . "cut up, isoform E [Drosophila melanogaster]" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 17692 1 30 no REF NP_001245836 . "cytoplasmic dynein light chain 2, isoform C [Drosophila melanogaster]" . . . . . 100.00 89 98.88 100.00 6.55e-59 . . . . 17692 1 31 no SP O96860 . "RecName: Full=Dynein light chain 2, cytoplasmic; AltName: Full=8 kDa dynein light chain" . . . . . 100.00 89 98.88 100.00 6.55e-59 . . . . 17692 1 32 no SP Q24117 . "RecName: Full=Dynein light chain 1, cytoplasmic; AltName: Full=8 kDa dynein light chain; AltName: Full=Cut up protein" . . . . . 100.00 89 100.00 100.00 1.91e-59 . . . . 17692 1 33 no TPG DAA34424 . "TPA_exp: dynein light chain [Amblyomma variegatum]" . . . . . 95.51 85 97.65 98.82 2.71e-54 . . . . 17692 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 . 17692 1 2 . SER . 17692 1 3 . ASP . 17692 1 4 . ARG . 17692 1 5 . LYS . 17692 1 6 . ALA . 17692 1 7 . VAL . 17692 1 8 . ILE . 17692 1 9 . LYS . 17692 1 10 . ASN . 17692 1 11 . ALA . 17692 1 12 . ASP . 17692 1 13 . MET . 17692 1 14 . SER . 17692 1 15 . GLU . 17692 1 16 . GLU . 17692 1 17 . MET . 17692 1 18 . GLN . 17692 1 19 . GLN . 17692 1 20 . ASP . 17692 1 21 . ALA . 17692 1 22 . VAL . 17692 1 23 . ASP . 17692 1 24 . CYS . 17692 1 25 . ALA . 17692 1 26 . THR . 17692 1 27 . GLN . 17692 1 28 . ALA . 17692 1 29 . LEU . 17692 1 30 . GLU . 17692 1 31 . LYS . 17692 1 32 . TYR . 17692 1 33 . ASN . 17692 1 34 . ILE . 17692 1 35 . GLU . 17692 1 36 . LYS . 17692 1 37 . ASP . 17692 1 38 . ILE . 17692 1 39 . ALA . 17692 1 40 . ALA . 17692 1 41 . TYR . 17692 1 42 . ILE . 17692 1 43 . LYS . 17692 1 44 . LYS . 17692 1 45 . GLU . 17692 1 46 . PHE . 17692 1 47 . ASP . 17692 1 48 . LYS . 17692 1 49 . LYS . 17692 1 50 . TYR . 17692 1 51 . ASN . 17692 1 52 . PRO . 17692 1 53 . THR . 17692 1 54 . TRP . 17692 1 55 . HIS . 17692 1 56 . CYS . 17692 1 57 . ILE . 17692 1 58 . VAL . 17692 1 59 . GLY . 17692 1 60 . ARG . 17692 1 61 . ASN . 17692 1 62 . PHE . 17692 1 63 . GLY . 17692 1 64 . SER . 17692 1 65 . TYR . 17692 1 66 . VAL . 17692 1 67 . THR . 17692 1 68 . HIS . 17692 1 69 . GLU . 17692 1 70 . THR . 17692 1 71 . ARG . 17692 1 72 . HIS . 17692 1 73 . PHE . 17692 1 74 . ILE . 17692 1 75 . TYR . 17692 1 76 . PHE . 17692 1 77 . TYR . 17692 1 78 . LEU . 17692 1 79 . GLY . 17692 1 80 . GLN . 17692 1 81 . VAL . 17692 1 82 . ALA . 17692 1 83 . ILE . 17692 1 84 . LEU . 17692 1 85 . LEU . 17692 1 86 . PHE . 17692 1 87 . LYS . 17692 1 88 . SER . 17692 1 89 . GLY . 17692 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 17692 1 . SER 2 2 17692 1 . ASP 3 3 17692 1 . ARG 4 4 17692 1 . LYS 5 5 17692 1 . ALA 6 6 17692 1 . VAL 7 7 17692 1 . ILE 8 8 17692 1 . LYS 9 9 17692 1 . ASN 10 10 17692 1 . ALA 11 11 17692 1 . ASP 12 12 17692 1 . MET 13 13 17692 1 . SER 14 14 17692 1 . GLU 15 15 17692 1 . GLU 16 16 17692 1 . MET 17 17 17692 1 . GLN 18 18 17692 1 . GLN 19 19 17692 1 . ASP 20 20 17692 1 . ALA 21 21 17692 1 . VAL 22 22 17692 1 . ASP 23 23 17692 1 . CYS 24 24 17692 1 . ALA 25 25 17692 1 . THR 26 26 17692 1 . GLN 27 27 17692 1 . ALA 28 28 17692 1 . LEU 29 29 17692 1 . GLU 30 30 17692 1 . LYS 31 31 17692 1 . TYR 32 32 17692 1 . ASN 33 33 17692 1 . ILE 34 34 17692 1 . GLU 35 35 17692 1 . LYS 36 36 17692 1 . ASP 37 37 17692 1 . ILE 38 38 17692 1 . ALA 39 39 17692 1 . ALA 40 40 17692 1 . TYR 41 41 17692 1 . ILE 42 42 17692 1 . LYS 43 43 17692 1 . LYS 44 44 17692 1 . GLU 45 45 17692 1 . PHE 46 46 17692 1 . ASP 47 47 17692 1 . LYS 48 48 17692 1 . LYS 49 49 17692 1 . TYR 50 50 17692 1 . ASN 51 51 17692 1 . PRO 52 52 17692 1 . THR 53 53 17692 1 . TRP 54 54 17692 1 . HIS 55 55 17692 1 . CYS 56 56 17692 1 . ILE 57 57 17692 1 . VAL 58 58 17692 1 . GLY 59 59 17692 1 . ARG 60 60 17692 1 . ASN 61 61 17692 1 . PHE 62 62 17692 1 . GLY 63 63 17692 1 . SER 64 64 17692 1 . TYR 65 65 17692 1 . VAL 66 66 17692 1 . THR 67 67 17692 1 . HIS 68 68 17692 1 . GLU 69 69 17692 1 . THR 70 70 17692 1 . ARG 71 71 17692 1 . HIS 72 72 17692 1 . PHE 73 73 17692 1 . ILE 74 74 17692 1 . TYR 75 75 17692 1 . PHE 76 76 17692 1 . TYR 77 77 17692 1 . LEU 78 78 17692 1 . GLY 79 79 17692 1 . GLN 80 80 17692 1 . VAL 81 81 17692 1 . ALA 82 82 17692 1 . ILE 83 83 17692 1 . LEU 84 84 17692 1 . LEU 85 85 17692 1 . PHE 86 86 17692 1 . LYS 87 87 17692 1 . SER 88 88 17692 1 . GLY 89 89 17692 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 17692 _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 $DLC8 . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 17692 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 17692 _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 $DLC8 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . PET14B . . . . . . 17692 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17692 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system DMSO _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 DLC8 '[U-100% 13C; U-100% 15N]' . . 1 $DLC8 . . . 1.2 1.5 mM . . . . 17692 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 17692 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17692 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17692 1 5 DMSO 'natural abundance' . . . . . . 99.96 . . % . . . . 17692 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 17692 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 17692 1 pH 2.5 . pH 17692 1 pressure 1 . atm 17692 1 temperature 318 . K 17692 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17692 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rochus Keller' . . 17692 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17692 1 'data analysis' 17692 1 'peak picking' 17692 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 17692 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17692 _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 Avance . 800 . . . 17692 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 17692 _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 . . . . . . . . . . . . . . . . 17692 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17692 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17692 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17692 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17692 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17692 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 17692 _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 . . . . . . . . . 17692 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17692 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17692 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 17692 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 17692 1 2 '3D CBCA(CO)NH' . . . 17692 1 3 '3D HNCACB' . . . 17692 1 4 '3D HNCO' . . . 17692 1 5 '3D 1H-15N TOCSY' . . . 17692 1 6 '3D 1H-15N NOESY' . . . 17692 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.208 0.02 . 1 . . . . 1 MET H . 17692 1 2 . 1 1 1 1 MET HA H 1 4.346 0.02 . 1 . . . . 1 MET HA . 17692 1 3 . 1 1 1 1 MET C C 13 171.372 0.3 . 1 . . . . 1 MET C . 17692 1 4 . 1 1 1 1 MET CA C 13 52.14 0.3 . 1 . . . . 1 MET CA . 17692 1 5 . 1 1 1 1 MET CB C 13 31.726 0.3 . 1 . . . . 1 MET CB . 17692 1 6 . 1 1 1 1 MET N N 15 118.235 0.3 . 1 . . . . 1 MET N . 17692 1 7 . 1 1 2 2 SER H H 1 8.018 0.02 . 1 . . . . 2 SER H . 17692 1 8 . 1 1 2 2 SER HA H 1 4.333 0.02 . 1 . . . . 2 SER HA . 17692 1 9 . 1 1 2 2 SER C C 13 170.582 0.3 . 1 . . . . 2 SER C . 17692 1 10 . 1 1 2 2 SER CA C 13 55.003 0.3 . 1 . . . . 2 SER CA . 17692 1 11 . 1 1 2 2 SER CB C 13 61.951 0.3 . 1 . . . . 2 SER CB . 17692 1 12 . 1 1 2 2 SER N N 15 113.742 0.3 . 1 . . . . 2 SER N . 17692 1 13 . 1 1 3 3 ASP H H 1 8.378 0.02 . 1 . . . . 3 ASP H . 17692 1 14 . 1 1 3 3 ASP HA H 1 4.578 0.02 . 1 . . . . 3 ASP HA . 17692 1 15 . 1 1 3 3 ASP C C 13 171.022 0.3 . 1 . . . . 3 ASP C . 17692 1 16 . 1 1 3 3 ASP CA C 13 49.875 0.3 . 1 . . . . 3 ASP CA . 17692 1 17 . 1 1 3 3 ASP CB C 13 35.875 0.3 . 1 . . . . 3 ASP CB . 17692 1 18 . 1 1 3 3 ASP N N 15 119.454 0.3 . 1 . . . . 3 ASP N . 17692 1 19 . 1 1 4 4 ARG H H 1 7.845 0.02 . 1 . . . . 4 ARG H . 17692 1 20 . 1 1 4 4 ARG HA H 1 4.213 0.02 . 1 . . . . 4 ARG HA . 17692 1 21 . 1 1 4 4 ARG C C 13 171.591 0.3 . 1 . . . . 4 ARG C . 17692 1 22 . 1 1 4 4 ARG CA C 13 52.671 0.3 . 1 . . . . 4 ARG CA . 17692 1 23 . 1 1 4 4 ARG CB C 13 28.693 0.3 . 1 . . . . 4 ARG CB . 17692 1 24 . 1 1 4 4 ARG N N 15 117.098 0.3 . 1 . . . . 4 ARG N . 17692 1 25 . 1 1 5 5 LYS H H 1 7.959 0.02 . 1 . . . . 5 LYS H . 17692 1 26 . 1 1 5 5 LYS HA H 1 4.191 0.02 . 1 . . . . 5 LYS HA . 17692 1 27 . 1 1 5 5 LYS C C 13 171.502 0.3 . 1 . . . . 5 LYS C . 17692 1 28 . 1 1 5 5 LYS CA C 13 52.673 0.3 . 1 . . . . 5 LYS CA . 17692 1 29 . 1 1 5 5 LYS CB C 13 30.995 0.3 . 1 . . . . 5 LYS CB . 17692 1 30 . 1 1 5 5 LYS N N 15 117.98 0.3 . 1 . . . . 5 LYS N . 17692 1 31 . 1 1 6 6 ALA H H 1 8.025 0.02 . 1 . . . . 6 ALA H . 17692 1 32 . 1 1 6 6 ALA HA H 1 4.265 0.02 . 1 . . . . 6 ALA HA . 17692 1 33 . 1 1 6 6 ALA C C 13 172.64 0.3 . 1 . . . . 6 ALA C . 17692 1 34 . 1 1 6 6 ALA CA C 13 48.626 0.3 . 1 . . . . 6 ALA CA . 17692 1 35 . 1 1 6 6 ALA CB C 13 17.711 0.3 . 1 . . . . 6 ALA CB . 17692 1 36 . 1 1 6 6 ALA N N 15 121.122 0.3 . 1 . . . . 6 ALA N . 17692 1 37 . 1 1 7 7 VAL H H 1 7.742 0.02 . 1 . . . . 7 VAL H . 17692 1 38 . 1 1 7 7 VAL HA H 1 4.114 0.02 . 1 . . . . 7 VAL HA . 17692 1 39 . 1 1 7 7 VAL C C 13 171.275 0.3 . 1 . . . . 7 VAL C . 17692 1 40 . 1 1 7 7 VAL CA C 13 58.075 0.3 . 1 . . . . 7 VAL CA . 17692 1 41 . 1 1 7 7 VAL CB C 13 30.285 0.3 . 1 . . . . 7 VAL CB . 17692 1 42 . 1 1 7 7 VAL N N 15 114.287 0.3 . 1 . . . . 7 VAL N . 17692 1 43 . 1 1 8 8 ILE H H 1 7.817 0.02 . 1 . . . . 8 ILE H . 17692 1 44 . 1 1 8 8 ILE HA H 1 4.122 0.02 . 1 . . . . 8 ILE HA . 17692 1 45 . 1 1 8 8 ILE C C 13 171.372 0.3 . 1 . . . . 8 ILE C . 17692 1 46 . 1 1 8 8 ILE CA C 13 57.392 0.3 . 1 . . . . 8 ILE CA . 17692 1 47 . 1 1 8 8 ILE CB C 13 36.045 0.3 . 1 . . . . 8 ILE CB . 17692 1 48 . 1 1 8 8 ILE N N 15 119.106 0.3 . 1 . . . . 8 ILE N . 17692 1 49 . 1 1 9 9 LYS H H 1 7.992 0.02 . 1 . . . . 9 LYS H . 17692 1 50 . 1 1 9 9 LYS HA H 1 4.196 0.02 . 1 . . . . 9 LYS HA . 17692 1 51 . 1 1 9 9 LYS C C 13 171.632 0.3 . 1 . . . . 9 LYS C . 17692 1 52 . 1 1 9 9 LYS CA C 13 52.713 0.3 . 1 . . . . 9 LYS CA . 17692 1 53 . 1 1 9 9 LYS CB C 13 31.019 0.3 . 1 . . . . 9 LYS CB . 17692 1 54 . 1 1 9 9 LYS N N 15 120.996 0.3 . 1 . . . . 9 LYS N . 17692 1 55 . 1 1 10 10 ASN H H 1 8.041 0.02 . 1 . . . . 10 ASN H . 17692 1 56 . 1 1 10 10 ASN HA H 1 4.514 0.02 . 1 . . . . 10 ASN HA . 17692 1 57 . 1 1 10 10 ASN C C 13 171.322 0.3 . 1 . . . . 10 ASN C . 17692 1 58 . 1 1 10 10 ASN CA C 13 49.937 0.3 . 1 . . . . 10 ASN CA . 17692 1 59 . 1 1 10 10 ASN CB C 13 37.029 0.3 . 1 . . . . 10 ASN CB . 17692 1 60 . 1 1 10 10 ASN N N 15 117.3 0.3 . 1 . . . . 10 ASN N . 17692 1 61 . 1 1 11 11 ALA H H 1 8.078 0.02 . 1 . . . . 11 ALA H . 17692 1 62 . 1 1 11 11 ALA HA H 1 4.169 0.02 . 1 . . . . 11 ALA HA . 17692 1 63 . 1 1 11 11 ALA C C 13 172.901 0.3 . 1 . . . . 11 ALA C . 17692 1 64 . 1 1 11 11 ALA CA C 13 49.144 0.3 . 1 . . . . 11 ALA CA . 17692 1 65 . 1 1 11 11 ALA CB C 13 17.446 0.3 . 1 . . . . 11 ALA CB . 17692 1 66 . 1 1 11 11 ALA N N 15 121.005 0.3 . 1 . . . . 11 ALA N . 17692 1 67 . 1 1 12 12 ASP H H 1 8.233 0.02 . 1 . . . . 12 ASP H . 17692 1 68 . 1 1 12 12 ASP HA H 1 4.513 0.02 . 1 . . . . 12 ASP HA . 17692 1 69 . 1 1 12 12 ASP C C 13 170.999 0.3 . 1 . . . . 12 ASP C . 17692 1 70 . 1 1 12 12 ASP CA C 13 50.085 0.3 . 1 . . . . 12 ASP CA . 17692 1 71 . 1 1 12 12 ASP CB C 13 35.669 0.3 . 1 . . . . 12 ASP CB . 17692 1 72 . 1 1 12 12 ASP N N 15 115.368 0.3 . 1 . . . . 12 ASP N . 17692 1 73 . 1 1 13 13 MET H H 1 7.721 0.02 . 1 . . . . 13 MET H . 17692 1 74 . 1 1 13 13 MET HA H 1 4.345 0.02 . 1 . . . . 13 MET HA . 17692 1 75 . 1 1 13 13 MET C C 13 171.58 0.3 . 1 . . . . 13 MET C . 17692 1 76 . 1 1 13 13 MET CA C 13 52.348 0.3 . 1 . . . . 13 MET CA . 17692 1 77 . 1 1 13 13 MET CB C 13 31.488 0.3 . 1 . . . . 13 MET CB . 17692 1 78 . 1 1 13 13 MET N N 15 116.196 0.3 . 1 . . . . 13 MET N . 17692 1 79 . 1 1 14 14 SER H H 1 7.948 0.02 . 1 . . . . 14 SER H . 17692 1 80 . 1 1 14 14 SER HA H 1 4.287 0.02 . 1 . . . . 14 SER HA . 17692 1 81 . 1 1 14 14 SER C C 13 170.688 0.3 . 1 . . . . 14 SER C . 17692 1 82 . 1 1 14 14 SER CA C 13 55.735 0.3 . 1 . . . . 14 SER CA . 17692 1 83 . 1 1 14 14 SER CB C 13 61.593 0.3 . 1 . . . . 14 SER CB . 17692 1 84 . 1 1 14 14 SER N N 15 113.948 0.3 . 1 . . . . 14 SER N . 17692 1 85 . 1 1 15 15 GLU H H 1 8.022 0.02 . 1 . . . . 15 GLU H . 17692 1 86 . 1 1 15 15 GLU HA H 1 4.21 0.02 . 1 . . . . 15 GLU HA . 17692 1 87 . 1 1 15 15 GLU C C 13 171.795 0.3 . 1 . . . . 15 GLU C . 17692 1 88 . 1 1 15 15 GLU CA C 13 52.465 0.3 . 1 . . . . 15 GLU CA . 17692 1 89 . 1 1 15 15 GLU CB C 13 26.928 0.3 . 1 . . . . 15 GLU CB . 17692 1 90 . 1 1 15 15 GLU N N 15 118.686 0.3 . 1 . . . . 15 GLU N . 17692 1 91 . 1 1 16 16 GLU H H 1 7.945 0.02 . 1 . . . . 16 GLU H . 17692 1 92 . 1 1 16 16 GLU HA H 1 4.161 0.02 . 1 . . . . 16 GLU HA . 17692 1 93 . 1 1 16 16 GLU C C 13 171.73 0.3 . 1 . . . . 16 GLU C . 17692 1 94 . 1 1 16 16 GLU CA C 13 52.388 0.3 . 1 . . . . 16 GLU CA . 17692 1 95 . 1 1 16 16 GLU CB C 13 26.524 0.3 . 1 . . . . 16 GLU CB . 17692 1 96 . 1 1 16 16 GLU N N 15 117.342 0.3 . 1 . . . . 16 GLU N . 17692 1 97 . 1 1 17 17 MET H H 1 8.184 0.02 . 1 . . . . 17 MET H . 17692 1 98 . 1 1 17 17 MET HA H 1 4.302 0.02 . 1 . . . . 17 MET HA . 17692 1 99 . 1 1 17 17 MET C C 13 171.576 0.3 . 1 . . . . 17 MET C . 17692 1 100 . 1 1 17 17 MET CA C 13 52.388 0.3 . 1 . . . . 17 MET CA . 17692 1 101 . 1 1 17 17 MET CB C 13 31.532 0.3 . 1 . . . . 17 MET CB . 17692 1 102 . 1 1 17 17 MET N N 15 117.379 0.3 . 1 . . . . 17 MET N . 17692 1 103 . 1 1 18 18 GLN H H 1 8.027 0.02 . 1 . . . . 18 GLN H . 17692 1 104 . 1 1 18 18 GLN HA H 1 4.181 0.02 . 1 . . . . 18 GLN HA . 17692 1 105 . 1 1 18 18 GLN C C 13 171.632 0.3 . 1 . . . . 18 GLN C . 17692 1 106 . 1 1 18 18 GLN CA C 13 52.752 0.3 . 1 . . . . 18 GLN CA . 17692 1 107 . 1 1 18 18 GLN CB C 13 27.53 0.3 . 1 . . . . 18 GLN CB . 17692 1 108 . 1 1 18 18 GLN N N 15 118.26 0.3 . 1 . . . . 18 GLN N . 17692 1 109 . 1 1 19 19 GLN H H 1 7.999 0.02 . 1 . . . . 19 GLN H . 17692 1 110 . 1 1 19 19 GLN HA H 1 4.15 0.02 . 1 . . . . 19 GLN HA . 17692 1 111 . 1 1 19 19 GLN C C 13 171.592 0.3 . 1 . . . . 19 GLN C . 17692 1 112 . 1 1 19 19 GLN CA C 13 52.638 0.3 . 1 . . . . 19 GLN CA . 17692 1 113 . 1 1 19 19 GLN CB C 13 27.745 0.3 . 1 . . . . 19 GLN CB . 17692 1 114 . 1 1 19 19 GLN N N 15 117.804 0.3 . 1 . . . . 19 GLN N . 17692 1 115 . 1 1 20 20 ASP H H 1 8.188 0.02 . 1 . . . . 20 ASP H . 17692 1 116 . 1 1 20 20 ASP HA H 1 4.549 0.02 . 1 . . . . 20 ASP HA . 17692 1 117 . 1 1 20 20 ASP C C 13 170.684 0.3 . 1 . . . . 20 ASP C . 17692 1 118 . 1 1 20 20 ASP CA C 13 49.805 0.3 . 1 . . . . 20 ASP CA . 17692 1 119 . 1 1 20 20 ASP CB C 13 36.044 0.3 . 1 . . . . 20 ASP CB . 17692 1 120 . 1 1 20 20 ASP N N 15 117.472 0.3 . 1 . . . . 20 ASP N . 17692 1 121 . 1 1 21 21 ALA H H 1 7.823 0.02 . 1 . . . . 21 ALA H . 17692 1 122 . 1 1 21 21 ALA HA H 1 4.306 0.02 . 1 . . . . 21 ALA HA . 17692 1 123 . 1 1 21 21 ALA C C 13 172.575 0.3 . 1 . . . . 21 ALA C . 17692 1 124 . 1 1 21 21 ALA CA C 13 48.656 0.3 . 1 . . . . 21 ALA CA . 17692 1 125 . 1 1 21 21 ALA CB C 13 17.656 0.3 . 1 . . . . 21 ALA CB . 17692 1 126 . 1 1 21 21 ALA N N 15 120.434 0.3 . 1 . . . . 21 ALA N . 17692 1 127 . 1 1 22 22 VAL H H 1 7.741 0.02 . 1 . . . . 22 VAL H . 17692 1 128 . 1 1 22 22 VAL HA H 1 4.114 0.02 . 1 . . . . 22 VAL HA . 17692 1 129 . 1 1 22 22 VAL C C 13 171.38 0.3 . 1 . . . . 22 VAL C . 17692 1 130 . 1 1 22 22 VAL CA C 13 58.11 0.3 . 1 . . . . 22 VAL CA . 17692 1 131 . 1 1 22 22 VAL CB C 13 30.43 0.3 . 1 . . . . 22 VAL CB . 17692 1 132 . 1 1 22 22 VAL N N 15 113.741 0.3 . 1 . . . . 22 VAL N . 17692 1 133 . 1 1 23 23 ASP H H 1 8.268 0.02 . 1 . . . . 23 ASP H . 17692 1 134 . 1 1 23 23 ASP HA H 1 4.61 0.02 . 1 . . . . 23 ASP HA . 17692 1 135 . 1 1 23 23 ASP C C 13 171.608 0.3 . 1 . . . . 23 ASP C . 17692 1 136 . 1 1 23 23 ASP CA C 13 49.866 0.3 . 1 . . . . 23 ASP CA . 17692 1 137 . 1 1 23 23 ASP CB C 13 35.953 0.3 . 1 . . . . 23 ASP CB . 17692 1 138 . 1 1 23 23 ASP N N 15 119.506 0.3 . 1 . . . . 23 ASP N . 17692 1 139 . 1 1 24 24 CYS H H 1 7.976 0.02 . 1 . . . . 24 CYS H . 17692 1 140 . 1 1 24 24 CYS HA H 1 4.386 0.02 . 1 . . . . 24 CYS HA . 17692 1 141 . 1 1 24 24 CYS C C 13 169.526 0.3 . 1 . . . . 24 CYS C . 17692 1 142 . 1 1 24 24 CYS CA C 13 55.653 0.3 . 1 . . . . 24 CYS CA . 17692 1 143 . 1 1 24 24 CYS CB C 13 25.792 0.3 . 1 . . . . 24 CYS CB . 17692 1 144 . 1 1 24 24 CYS N N 15 115.944 0.3 . 1 . . . . 24 CYS N . 17692 1 145 . 1 1 25 25 ALA H H 1 8.231 0.02 . 1 . . . . 25 ALA H . 17692 1 146 . 1 1 25 25 ALA HA H 1 4.305 0.02 . 1 . . . . 25 ALA HA . 17692 1 147 . 1 1 25 25 ALA C C 13 173.031 0.3 . 1 . . . . 25 ALA C . 17692 1 148 . 1 1 25 25 ALA CA C 13 49.674 0.3 . 1 . . . . 25 ALA CA . 17692 1 149 . 1 1 25 25 ALA CB C 13 16.989 0.3 . 1 . . . . 25 ALA CB . 17692 1 150 . 1 1 25 25 ALA N N 15 122.829 0.3 . 1 . . . . 25 ALA N . 17692 1 151 . 1 1 26 26 THR H H 1 7.883 0.02 . 1 . . . . 26 THR H . 17692 1 152 . 1 1 26 26 THR HA H 1 4.324 0.02 . 1 . . . . 26 THR HA . 17692 1 153 . 1 1 26 26 THR C C 13 170.949 0.3 . 1 . . . . 26 THR C . 17692 1 154 . 1 1 26 26 THR CA C 13 59.352 0.3 . 1 . . . . 26 THR CA . 17692 1 155 . 1 1 26 26 THR CB C 13 66.394 0.3 . 1 . . . . 26 THR CB . 17692 1 156 . 1 1 26 26 THR N N 15 111.293 0.3 . 1 . . . . 26 THR N . 17692 1 157 . 1 1 27 27 GLN H H 1 7.961 0.02 . 1 . . . . 27 GLN H . 17692 1 158 . 1 1 27 27 GLN HA H 1 4.09 0.02 . 1 . . . . 27 GLN HA . 17692 1 159 . 1 1 27 27 GLN C C 13 171.827 0.3 . 1 . . . . 27 GLN C . 17692 1 160 . 1 1 27 27 GLN CA C 13 52.968 0.3 . 1 . . . . 27 GLN CA . 17692 1 161 . 1 1 27 27 GLN CB C 13 27.611 0.3 . 1 . . . . 27 GLN CB . 17692 1 162 . 1 1 27 27 GLN N N 15 118.923 0.3 . 1 . . . . 27 GLN N . 17692 1 163 . 1 1 28 28 ALA H H 1 8.014 0.02 . 1 . . . . 28 ALA H . 17692 1 164 . 1 1 28 28 ALA HA H 1 4.264 0.02 . 1 . . . . 28 ALA HA . 17692 1 165 . 1 1 28 28 ALA C C 13 173.042 0.3 . 1 . . . . 28 ALA C . 17692 1 166 . 1 1 28 28 ALA CA C 13 49.361 0.3 . 1 . . . . 28 ALA CA . 17692 1 167 . 1 1 28 28 ALA CB C 13 17.249 0.3 . 1 . . . . 28 ALA CB . 17692 1 168 . 1 1 28 28 ALA N N 15 120.987 0.3 . 1 . . . . 28 ALA N . 17692 1 169 . 1 1 29 29 LEU H H 1 7.887 0.02 . 1 . . . . 29 LEU H . 17692 1 170 . 1 1 29 29 LEU HA H 1 4.088 0.02 . 1 . . . . 29 LEU HA . 17692 1 171 . 1 1 29 29 LEU C C 13 172.984 0.3 . 1 . . . . 29 LEU C . 17692 1 172 . 1 1 29 29 LEU CA C 13 51.911 0.3 . 1 . . . . 29 LEU CA . 17692 1 173 . 1 1 29 29 LEU CB C 13 40.357 0.3 . 1 . . . . 29 LEU CB . 17692 1 174 . 1 1 29 29 LEU N N 15 117.306 0.3 . 1 . . . . 29 LEU N . 17692 1 175 . 1 1 30 30 GLU H H 1 7.911 0.02 . 1 . . . . 30 GLU H . 17692 1 176 . 1 1 30 30 GLU HA H 1 4.158 0.02 . 1 . . . . 30 GLU HA . 17692 1 177 . 1 1 30 30 GLU C C 13 171.836 0.3 . 1 . . . . 30 GLU C . 17692 1 178 . 1 1 30 30 GLU CA C 13 52.759 0.3 . 1 . . . . 30 GLU CA . 17692 1 179 . 1 1 30 30 GLU CB C 13 26.734 0.3 . 1 . . . . 30 GLU CB . 17692 1 180 . 1 1 30 30 GLU N N 15 116.934 0.3 . 1 . . . . 30 GLU N . 17692 1 181 . 1 1 31 31 LYS H H 1 7.791 0.02 . 1 . . . . 31 LYS H . 17692 1 182 . 1 1 31 31 LYS HA H 1 4.158 0.02 . 1 . . . . 31 LYS HA . 17692 1 183 . 1 1 31 31 LYS C C 13 171.673 0.3 . 1 . . . . 31 LYS C . 17692 1 184 . 1 1 31 31 LYS CA C 13 52.643 0.3 . 1 . . . . 31 LYS CA . 17692 1 185 . 1 1 31 31 LYS CB C 13 31 0.3 . 1 . . . . 31 LYS CB . 17692 1 186 . 1 1 31 31 LYS N N 15 117.73 0.3 . 1 . . . . 31 LYS N . 17692 1 187 . 1 1 32 32 TYR H H 1 7.893 0.02 . 1 . . . . 32 TYR H . 17692 1 188 . 1 1 32 32 TYR HA H 1 4.343 0.02 . 1 . . . . 32 TYR HA . 17692 1 189 . 1 1 32 32 TYR C C 13 171.538 0.3 . 1 . . . . 32 TYR C . 17692 1 190 . 1 1 32 32 TYR CA C 13 54.559 0.3 . 1 . . . . 32 TYR CA . 17692 1 191 . 1 1 32 32 TYR CB C 13 36.37 0.3 . 1 . . . . 32 TYR CB . 17692 1 192 . 1 1 32 32 TYR N N 15 116.847 0.3 . 1 . . . . 32 TYR N . 17692 1 193 . 1 1 33 33 ASN H H 1 8.193 0.02 . 1 . . . . 33 ASN H . 17692 1 194 . 1 1 33 33 ASN HA H 1 4.584 0.02 . 1 . . . . 33 ASN HA . 17692 1 195 . 1 1 33 33 ASN C C 13 171.817 0.3 . 1 . . . . 33 ASN C . 17692 1 196 . 1 1 33 33 ASN CA C 13 50.645 0.3 . 1 . . . . 33 ASN CA . 17692 1 197 . 1 1 33 33 ASN CB C 13 36.532 0.3 . 1 . . . . 33 ASN CB . 17692 1 198 . 1 1 33 33 ASN N N 15 117.68 0.3 . 1 . . . . 33 ASN N . 17692 1 199 . 1 1 34 34 ILE H H 1 7.876 0.02 . 1 . . . . 34 ILE H . 17692 1 200 . 1 1 34 34 ILE HA H 1 4.122 0.02 . 1 . . . . 34 ILE HA . 17692 1 201 . 1 1 34 34 ILE C C 13 172.031 0.3 . 1 . . . . 34 ILE C . 17692 1 202 . 1 1 34 34 ILE CA C 13 58.033 0.3 . 1 . . . . 34 ILE CA . 17692 1 203 . 1 1 34 34 ILE CB C 13 36.532 0.3 . 1 . . . . 34 ILE CB . 17692 1 204 . 1 1 34 34 ILE N N 15 116.764 0.3 . 1 . . . . 34 ILE N . 17692 1 205 . 1 1 35 35 GLU H H 1 8.089 0.02 . 1 . . . . 35 GLU H . 17692 1 206 . 1 1 35 35 GLU HA H 1 4.08 0.02 . 1 . . . . 35 GLU HA . 17692 1 207 . 1 1 35 35 GLU C C 13 172.022 0.3 . 1 . . . . 35 GLU C . 17692 1 208 . 1 1 35 35 GLU CA C 13 53.374 0.3 . 1 . . . . 35 GLU CA . 17692 1 209 . 1 1 35 35 GLU CB C 13 26.377 0.3 . 1 . . . . 35 GLU CB . 17692 1 210 . 1 1 35 35 GLU N N 15 119.59 0.3 . 1 . . . . 35 GLU N . 17692 1 211 . 1 1 36 36 LYS H H 1 7.781 0.02 . 1 . . . . 36 LYS H . 17692 1 212 . 1 1 36 36 LYS HA H 1 4.144 0.02 . 1 . . . . 36 LYS HA . 17692 1 213 . 1 1 36 36 LYS C C 13 171.493 0.3 . 1 . . . . 36 LYS C . 17692 1 214 . 1 1 36 36 LYS CA C 13 52.797 0.3 . 1 . . . . 36 LYS CA . 17692 1 215 . 1 1 36 36 LYS CB C 13 28.46 0.3 . 1 . . . . 36 LYS CB . 17692 1 216 . 1 1 36 36 LYS N N 15 117.28 0.3 . 1 . . . . 36 LYS N . 17692 1 217 . 1 1 37 37 ASP H H 1 8.182 0.02 . 1 . . . . 37 ASP H . 17692 1 218 . 1 1 37 37 ASP HA H 1 4.494 0.02 . 1 . . . . 37 ASP HA . 17692 1 219 . 1 1 37 37 ASP C C 13 171.213 0.3 . 1 . . . . 37 ASP C . 17692 1 220 . 1 1 37 37 ASP CA C 13 50.162 0.3 . 1 . . . . 37 ASP CA . 17692 1 221 . 1 1 37 37 ASP CB C 13 35.523 0.3 . 1 . . . . 37 ASP CB . 17692 1 222 . 1 1 37 37 ASP N N 15 117.698 0.3 . 1 . . . . 37 ASP N . 17692 1 223 . 1 1 38 38 ILE H H 1 7.602 0.02 . 1 . . . . 38 ILE H . 17692 1 224 . 1 1 38 38 ILE HA H 1 4.099 0.02 . 1 . . . . 38 ILE HA . 17692 1 225 . 1 1 38 38 ILE C C 13 171.427 0.3 . 1 . . . . 38 ILE C . 17692 1 226 . 1 1 38 38 ILE CA C 13 57.833 0.3 . 1 . . . . 38 ILE CA . 17692 1 227 . 1 1 38 38 ILE CB C 13 36.695 0.3 . 1 . . . . 38 ILE CB . 17692 1 228 . 1 1 38 38 ILE N N 15 115.722 0.3 . 1 . . . . 38 ILE N . 17692 1 229 . 1 1 39 39 ALA H H 1 8.046 0.02 . 1 . . . . 39 ALA H . 17692 1 230 . 1 1 39 39 ALA HA H 1 4.138 0.02 . 1 . . . . 39 ALA HA . 17692 1 231 . 1 1 39 39 ALA C C 13 172.674 0.3 . 1 . . . . 39 ALA C . 17692 1 232 . 1 1 39 39 ALA CA C 13 49.144 0.3 . 1 . . . . 39 ALA CA . 17692 1 233 . 1 1 39 39 ALA CB C 13 17.256 0.3 . 1 . . . . 39 ALA CB . 17692 1 234 . 1 1 39 39 ALA N N 15 123.131 0.3 . 1 . . . . 39 ALA N . 17692 1 235 . 1 1 40 40 ALA H H 1 7.841 0.02 . 1 . . . . 40 ALA H . 17692 1 236 . 1 1 40 40 ALA HA H 1 4.203 0.02 . 1 . . . . 40 ALA HA . 17692 1 237 . 1 1 40 40 ALA C C 13 172.836 0.3 . 1 . . . . 40 ALA C . 17692 1 238 . 1 1 40 40 ALA CA C 13 49.26 0.3 . 1 . . . . 40 ALA CA . 17692 1 239 . 1 1 40 40 ALA CB C 13 17.635 0.3 . 1 . . . . 40 ALA CB . 17692 1 240 . 1 1 40 40 ALA N N 15 118.888 0.3 . 1 . . . . 40 ALA N . 17692 1 241 . 1 1 41 41 TYR H H 1 7.867 0.02 . 1 . . . . 41 TYR H . 17692 1 242 . 1 1 41 41 TYR HA H 1 4.451 0.02 . 1 . . . . 41 TYR HA . 17692 1 243 . 1 1 41 41 TYR C C 13 171.637 0.3 . 1 . . . . 41 TYR C . 17692 1 244 . 1 1 41 41 TYR CA C 13 54.975 0.3 . 1 . . . . 41 TYR CA . 17692 1 245 . 1 1 41 41 TYR CB C 13 36.389 0.3 . 1 . . . . 41 TYR CB . 17692 1 246 . 1 1 41 41 TYR N N 15 115.547 0.3 . 1 . . . . 41 TYR N . 17692 1 247 . 1 1 42 42 ILE H H 1 7.781 0.02 . 1 . . . . 42 ILE H . 17692 1 248 . 1 1 42 42 ILE HA H 1 4.148 0.02 . 1 . . . . 42 ILE HA . 17692 1 249 . 1 1 42 42 ILE C C 13 170.86 0.3 . 1 . . . . 42 ILE C . 17692 1 250 . 1 1 42 42 ILE CA C 13 57.606 0.3 . 1 . . . . 42 ILE CA . 17692 1 251 . 1 1 42 42 ILE CB C 13 37.002 0.3 . 1 . . . . 42 ILE CB . 17692 1 252 . 1 1 42 42 ILE N N 15 116.342 0.3 . 1 . . . . 42 ILE N . 17692 1 253 . 1 1 43 43 LYS H H 1 8.034 0.02 . 1 . . . . 43 LYS H . 17692 1 254 . 1 1 43 43 LYS HA H 1 4.07 0.02 . 1 . . . . 43 LYS HA . 17692 1 255 . 1 1 43 43 LYS C C 13 172.063 0.3 . 1 . . . . 43 LYS C . 17692 1 256 . 1 1 43 43 LYS CA C 13 53.057 0.3 . 1 . . . . 43 LYS CA . 17692 1 257 . 1 1 43 43 LYS CB C 13 30.649 0.3 . 1 . . . . 43 LYS CB . 17692 1 258 . 1 1 43 43 LYS N N 15 121.003 0.3 . 1 . . . . 43 LYS N . 17692 1 259 . 1 1 44 44 LYS H H 1 7.904 0.02 . 1 . . . . 44 LYS H . 17692 1 260 . 1 1 44 44 LYS HA H 1 4.141 0.02 . 1 . . . . 44 LYS HA . 17692 1 261 . 1 1 44 44 LYS C C 13 171.957 0.3 . 1 . . . . 44 LYS C . 17692 1 262 . 1 1 44 44 LYS CA C 13 52.743 0.3 . 1 . . . . 44 LYS CA . 17692 1 263 . 1 1 44 44 LYS CB C 13 30.876 0.3 . 1 . . . . 44 LYS CB . 17692 1 264 . 1 1 44 44 LYS N N 15 118.039 0.3 . 1 . . . . 44 LYS N . 17692 1 265 . 1 1 45 45 GLU H H 1 7.929 0.02 . 1 . . . . 45 GLU H . 17692 1 266 . 1 1 45 45 GLU HA H 1 4.119 0.02 . 1 . . . . 45 GLU HA . 17692 1 267 . 1 1 45 45 GLU C C 13 171.122 0.3 . 1 . . . . 45 GLU C . 17692 1 268 . 1 1 45 45 GLU CA C 13 52.603 0.3 . 1 . . . . 45 GLU CA . 17692 1 269 . 1 1 45 45 GLU CB C 13 27.119 0.3 . 1 . . . . 45 GLU CB . 17692 1 270 . 1 1 45 45 GLU N N 15 117.137 0.3 . 1 . . . . 45 GLU N . 17692 1 271 . 1 1 46 46 PHE H H 1 7.886 0.02 . 1 . . . . 46 PHE H . 17692 1 272 . 1 1 46 46 PHE HA H 1 4.49 0.02 . 1 . . . . 46 PHE HA . 17692 1 273 . 1 1 46 46 PHE C C 13 171.483 0.3 . 1 . . . . 46 PHE C . 17692 1 274 . 1 1 46 46 PHE CA C 13 53.994 0.3 . 1 . . . . 46 PHE CA . 17692 1 275 . 1 1 46 46 PHE CB C 13 37.597 0.3 . 1 . . . . 46 PHE CB . 17692 1 276 . 1 1 46 46 PHE N N 15 115.968 0.3 . 1 . . . . 46 PHE N . 17692 1 277 . 1 1 47 47 ASP H H 1 8.43 0.02 . 1 . . . . 47 ASP H . 17692 1 278 . 1 1 47 47 ASP HA H 1 4.517 0.02 . 1 . . . . 47 ASP HA . 17692 1 279 . 1 1 47 47 ASP C C 13 171.115 0.3 . 1 . . . . 47 ASP C . 17692 1 280 . 1 1 47 47 ASP CA C 13 49.836 0.3 . 1 . . . . 47 ASP CA . 17692 1 281 . 1 1 47 47 ASP CB C 13 35.963 0.3 . 1 . . . . 47 ASP CB . 17692 1 282 . 1 1 47 47 ASP N N 15 117.73 0.3 . 1 . . . . 47 ASP N . 17692 1 283 . 1 1 48 48 LYS H H 1 7.701 0.02 . 1 . . . . 48 LYS H . 17692 1 284 . 1 1 48 48 LYS HA H 1 4.155 0.02 . 1 . . . . 48 LYS HA . 17692 1 285 . 1 1 48 48 LYS C C 13 171.762 0.3 . 1 . . . . 48 LYS C . 17692 1 286 . 1 1 48 48 LYS CA C 13 52.68 0.3 . 1 . . . . 48 LYS CA . 17692 1 287 . 1 1 48 48 LYS CB C 13 30.934 0.3 . 1 . . . . 48 LYS CB . 17692 1 288 . 1 1 48 48 LYS N N 15 117.067 0.3 . 1 . . . . 48 LYS N . 17692 1 289 . 1 1 49 49 LYS H H 1 7.952 0.02 . 1 . . . . 49 LYS H . 17692 1 290 . 1 1 49 49 LYS HA H 1 4.084 0.02 . 1 . . . . 49 LYS HA . 17692 1 291 . 1 1 49 49 LYS C C 13 171.315 0.3 . 1 . . . . 49 LYS C . 17692 1 292 . 1 1 49 49 LYS CA C 13 52.93 0.3 . 1 . . . . 49 LYS CA . 17692 1 293 . 1 1 49 49 LYS CB C 13 30.876 0.3 . 1 . . . . 49 LYS CB . 17692 1 294 . 1 1 49 49 LYS N N 15 117.628 0.3 . 1 . . . . 49 LYS N . 17692 1 295 . 1 1 50 50 TYR H H 1 7.711 0.02 . 1 . . . . 50 TYR H . 17692 1 296 . 1 1 50 50 TYR HA H 1 4.403 0.02 . 1 . . . . 50 TYR HA . 17692 1 297 . 1 1 50 50 TYR C C 13 170.869 0.3 . 1 . . . . 50 TYR C . 17692 1 298 . 1 1 50 50 TYR CA C 13 54.052 0.3 . 1 . . . . 50 TYR CA . 17692 1 299 . 1 1 50 50 TYR CB C 13 36.695 0.3 . 1 . . . . 50 TYR CB . 17692 1 300 . 1 1 50 50 TYR N N 15 116.064 0.3 . 1 . . . . 50 TYR N . 17692 1 301 . 1 1 51 51 ASN H H 1 8.273 0.02 . 1 . . . . 51 ASN H . 17692 1 302 . 1 1 51 51 ASN HA H 1 4.62 0.02 . 1 . . . . 51 ASN HA . 17692 1 303 . 1 1 51 51 ASN C C 13 171.795 0.3 . 1 . . . . 51 ASN C . 17692 1 304 . 1 1 51 51 ASN CA C 13 47.786 0.3 . 1 . . . . 51 ASN CA . 17692 1 305 . 1 1 51 51 ASN CB C 13 37.035 0.3 . 1 . . . . 51 ASN CB . 17692 1 306 . 1 1 51 51 ASN N N 15 118.86 0.3 . 1 . . . . 51 ASN N . 17692 1 307 . 1 1 53 53 THR H H 1 7.81 0.02 . 1 . . . . 53 THR H . 17692 1 308 . 1 1 53 53 THR HA H 1 4.122 0.02 . 1 . . . . 53 THR HA . 17692 1 309 . 1 1 53 53 THR C C 13 170.535 0.3 . 1 . . . . 53 THR C . 17692 1 310 . 1 1 53 53 THR CA C 13 59.138 0.3 . 1 . . . . 53 THR CA . 17692 1 311 . 1 1 53 53 THR CB C 13 66.547 0.3 . 1 . . . . 53 THR CB . 17692 1 312 . 1 1 53 53 THR N N 15 110.8 0.3 . 1 . . . . 53 THR N . 17692 1 313 . 1 1 54 54 TRP H H 1 7.821 0.02 . 1 . . . . 54 TRP H . 17692 1 314 . 1 1 54 54 TRP HA H 1 4.488 0.02 . 1 . . . . 54 TRP HA . 17692 1 315 . 1 1 54 54 TRP C C 13 171.925 0.3 . 1 . . . . 54 TRP C . 17692 1 316 . 1 1 54 54 TRP CA C 13 53.911 0.3 . 1 . . . . 54 TRP CA . 17692 1 317 . 1 1 54 54 TRP CB C 13 26.96 0.3 . 1 . . . . 54 TRP CB . 17692 1 318 . 1 1 54 54 TRP N N 15 119.803 0.3 . 1 . . . . 54 TRP N . 17692 1 319 . 1 1 55 55 HIS H H 1 8.19 0.02 . 1 . . . . 55 HIS H . 17692 1 320 . 1 1 55 55 HIS HA H 1 4.605 0.02 . 1 . . . . 55 HIS HA . 17692 1 321 . 1 1 55 55 HIS C C 13 170.242 0.3 . 1 . . . . 55 HIS C . 17692 1 322 . 1 1 55 55 HIS CA C 13 51.992 0.3 . 1 . . . . 55 HIS CA . 17692 1 323 . 1 1 55 55 HIS CB C 13 26.96 0.3 . 1 . . . . 55 HIS CB . 17692 1 324 . 1 1 55 55 HIS N N 15 115.654 0.3 . 1 . . . . 55 HIS N . 17692 1 325 . 1 1 56 56 CYS H H 1 8.199 0.02 . 1 . . . . 56 CYS H . 17692 1 326 . 1 1 56 56 CYS HA H 1 4.441 0.02 . 1 . . . . 56 CYS HA . 17692 1 327 . 1 1 56 56 CYS C C 13 170.209 0.3 . 1 . . . . 56 CYS C . 17692 1 328 . 1 1 56 56 CYS CA C 13 55.64 0.3 . 1 . . . . 56 CYS CA . 17692 1 329 . 1 1 56 56 CYS CB C 13 26.095 0.3 . 1 . . . . 56 CYS CB . 17692 1 330 . 1 1 56 56 CYS N N 15 117.035 0.3 . 1 . . . . 56 CYS N . 17692 1 331 . 1 1 57 57 ILE H H 1 8.159 0.02 . 1 . . . . 57 ILE H . 17692 1 332 . 1 1 57 57 ILE HA H 1 4.194 0.02 . 1 . . . . 57 ILE HA . 17692 1 333 . 1 1 57 57 ILE C C 13 171.185 0.3 . 1 . . . . 57 ILE C . 17692 1 334 . 1 1 57 57 ILE CA C 13 57.841 0.3 . 1 . . . . 57 ILE CA . 17692 1 335 . 1 1 57 57 ILE CB C 13 36.288 0.3 . 1 . . . . 57 ILE CB . 17692 1 336 . 1 1 57 57 ILE N N 15 118.962 0.3 . 1 . . . . 57 ILE N . 17692 1 337 . 1 1 58 58 VAL H H 1 7.796 0.02 . 1 . . . . 58 VAL H . 17692 1 338 . 1 1 58 58 VAL HA H 1 4.18 0.02 . 1 . . . . 58 VAL HA . 17692 1 339 . 1 1 58 58 VAL C C 13 171.535 0.3 . 1 . . . . 58 VAL C . 17692 1 340 . 1 1 58 58 VAL CA C 13 58.135 0.3 . 1 . . . . 58 VAL CA . 17692 1 341 . 1 1 58 58 VAL CB C 13 30.206 0.3 . 1 . . . . 58 VAL CB . 17692 1 342 . 1 1 58 58 VAL N N 15 118.103 0.3 . 1 . . . . 58 VAL N . 17692 1 343 . 1 1 59 59 GLY H H 1 8.145 0.02 . 1 . . . . 59 GLY H . 17692 1 344 . 1 1 59 59 GLY HA2 H 1 3.837 0.02 . 2 . . . . 59 GLY HA2 . 17692 1 345 . 1 1 59 59 GLY HA3 H 1 3.675 0.02 . 2 . . . . 59 GLY HA3 . 17692 1 346 . 1 1 59 59 GLY C C 13 169.03 0.3 . 1 . . . . 59 GLY C . 17692 1 347 . 1 1 59 59 GLY CA C 13 41.984 0.3 . 1 . . . . 59 GLY CA . 17692 1 348 . 1 1 59 59 GLY N N 15 108.542 0.3 . 1 . . . . 59 GLY N . 17692 1 349 . 1 1 60 60 ARG H H 1 7.979 0.02 . 1 . . . . 60 ARG H . 17692 1 350 . 1 1 60 60 ARG HA H 1 4.259 0.02 . 1 . . . . 60 ARG HA . 17692 1 351 . 1 1 60 60 ARG C C 13 171.416 0.3 . 1 . . . . 60 ARG C . 17692 1 352 . 1 1 60 60 ARG CA C 13 52.177 0.3 . 1 . . . . 60 ARG CA . 17692 1 353 . 1 1 60 60 ARG CB C 13 29.144 0.3 . 1 . . . . 60 ARG CB . 17692 1 354 . 1 1 60 60 ARG N N 15 117.525 0.3 . 1 . . . . 60 ARG N . 17692 1 355 . 1 1 61 61 ASN H H 1 8.191 0.02 . 1 . . . . 61 ASN H . 17692 1 356 . 1 1 61 61 ASN HA H 1 4.613 0.02 . 1 . . . . 61 ASN HA . 17692 1 357 . 1 1 61 61 ASN C C 13 171.135 0.3 . 1 . . . . 61 ASN C . 17692 1 358 . 1 1 61 61 ASN CA C 13 49.903 0.3 . 1 . . . . 61 ASN CA . 17692 1 359 . 1 1 61 61 ASN CB C 13 37.183 0.3 . 1 . . . . 61 ASN CB . 17692 1 360 . 1 1 61 61 ASN N N 15 117.887 0.3 . 1 . . . . 61 ASN N . 17692 1 361 . 1 1 62 62 PHE H H 1 8.079 0.02 . 1 . . . . 62 PHE H . 17692 1 362 . 1 1 62 62 PHE HA H 1 4.431 0.02 . 1 . . . . 62 PHE HA . 17692 1 363 . 1 1 62 62 PHE C C 13 171.6 0.3 . 1 . . . . 62 PHE C . 17692 1 364 . 1 1 62 62 PHE CA C 13 54.269 0.3 . 1 . . . . 62 PHE CA . 17692 1 365 . 1 1 62 62 PHE CB C 13 37.102 0.3 . 1 . . . . 62 PHE CB . 17692 1 366 . 1 1 62 62 PHE N N 15 117.208 0.3 . 1 . . . . 62 PHE N . 17692 1 367 . 1 1 63 63 GLY H H 1 8.303 0.02 . 1 . . . . 63 GLY H . 17692 1 368 . 1 1 63 63 GLY HA2 H 1 3.73 0.02 . 1 . . . . 63 GLY HA . 17692 1 369 . 1 1 63 63 GLY HA3 H 1 3.73 0.02 . 1 . . . . 63 GLY HA . 17692 1 370 . 1 1 63 63 GLY C C 13 169.124 0.3 . 1 . . . . 63 GLY C . 17692 1 371 . 1 1 63 63 GLY CA C 13 42.391 0.3 . 1 . . . . 63 GLY CA . 17692 1 372 . 1 1 63 63 GLY N N 15 106.167 0.3 . 1 . . . . 63 GLY N . 17692 1 373 . 1 1 64 64 SER H H 1 7.886 0.02 . 1 . . . . 64 SER H . 17692 1 374 . 1 1 64 64 SER HA H 1 4.303 0.02 . 1 . . . . 64 SER HA . 17692 1 375 . 1 1 64 64 SER C C 13 170.261 0.3 . 1 . . . . 64 SER C . 17692 1 376 . 1 1 64 64 SER CA C 13 55.183 0.3 . 1 . . . . 64 SER CA . 17692 1 377 . 1 1 64 64 SER CB C 13 61.924 0.3 . 1 . . . . 64 SER CB . 17692 1 378 . 1 1 64 64 SER N N 15 113.405 0.3 . 1 . . . . 64 SER N . 17692 1 379 . 1 1 65 65 TYR H H 1 8.071 0.02 . 1 . . . . 65 TYR H . 17692 1 380 . 1 1 65 65 TYR HA H 1 4.454 0.02 . 1 . . . . 65 TYR HA . 17692 1 381 . 1 1 65 65 TYR C C 13 171.462 0.3 . 1 . . . . 65 TYR C . 17692 1 382 . 1 1 65 65 TYR CA C 13 54.685 0.3 . 1 . . . . 65 TYR CA . 17692 1 383 . 1 1 65 65 TYR CB C 13 36.276 0.3 . 1 . . . . 65 TYR CB . 17692 1 384 . 1 1 65 65 TYR N N 15 118.9 0.3 . 1 . . . . 65 TYR N . 17692 1 385 . 1 1 66 66 VAL H H 1 7.83 0.02 . 1 . . . . 66 VAL H . 17692 1 386 . 1 1 66 66 VAL HA H 1 4.224 0.02 . 1 . . . . 66 VAL HA . 17692 1 387 . 1 1 66 66 VAL C C 13 171.473 0.3 . 1 . . . . 66 VAL C . 17692 1 388 . 1 1 66 66 VAL CA C 13 58.056 0.3 . 1 . . . . 66 VAL CA . 17692 1 389 . 1 1 66 66 VAL CB C 13 30.209 0.3 . 1 . . . . 66 VAL CB . 17692 1 390 . 1 1 66 66 VAL N N 15 114.78 0.3 . 1 . . . . 66 VAL N . 17692 1 391 . 1 1 67 67 THR H H 1 7.922 0.02 . 1 . . . . 67 THR H . 17692 1 392 . 1 1 67 67 THR HA H 1 4.216 0.02 . 1 . . . . 67 THR HA . 17692 1 393 . 1 1 67 67 THR C C 13 170.293 0.3 . 1 . . . . 67 THR C . 17692 1 394 . 1 1 67 67 THR CA C 13 58.573 0.3 . 1 . . . . 67 THR CA . 17692 1 395 . 1 1 67 67 THR CB C 13 66.648 0.3 . 1 . . . . 67 THR CB . 17692 1 396 . 1 1 67 67 THR N N 15 114.554 0.3 . 1 . . . . 67 THR N . 17692 1 397 . 1 1 68 68 HIS H H 1 8.112 0.02 . 1 . . . . 68 HIS H . 17692 1 398 . 1 1 68 68 HIS HA H 1 4.647 0.02 . 1 . . . . 68 HIS HA . 17692 1 399 . 1 1 68 68 HIS C C 13 170.096 0.3 . 1 . . . . 68 HIS C . 17692 1 400 . 1 1 68 68 HIS CA C 13 51.719 0.3 . 1 . . . . 68 HIS CA . 17692 1 401 . 1 1 68 68 HIS CB C 13 26.754 0.3 . 1 . . . . 68 HIS CB . 17692 1 402 . 1 1 68 68 HIS N N 15 117.168 0.3 . 1 . . . . 68 HIS N . 17692 1 403 . 1 1 69 69 GLU H H 1 8.319 0.02 . 1 . . . . 69 GLU H . 17692 1 404 . 1 1 69 69 GLU HA H 1 4.33 0.02 . 1 . . . . 69 GLU HA . 17692 1 405 . 1 1 69 69 GLU C C 13 171.795 0.3 . 1 . . . . 69 GLU C . 17692 1 406 . 1 1 69 69 GLU CA C 13 52.399 0.3 . 1 . . . . 69 GLU CA . 17692 1 407 . 1 1 69 69 GLU CB C 13 27.175 0.3 . 1 . . . . 69 GLU CB . 17692 1 408 . 1 1 69 69 GLU N N 15 118.773 0.3 . 1 . . . . 69 GLU N . 17692 1 409 . 1 1 70 70 THR H H 1 7.939 0.02 . 1 . . . . 70 THR H . 17692 1 410 . 1 1 70 70 THR HA H 1 4.216 0.02 . 1 . . . . 70 THR HA . 17692 1 411 . 1 1 70 70 THR C C 13 170.364 0.3 . 1 . . . . 70 THR C . 17692 1 412 . 1 1 70 70 THR CA C 13 58.324 0.3 . 1 . . . . 70 THR CA . 17692 1 413 . 1 1 70 70 THR CB C 13 66.865 0.3 . 1 . . . . 70 THR CB . 17692 1 414 . 1 1 70 70 THR N N 15 113.024 0.3 . 1 . . . . 70 THR N . 17692 1 415 . 1 1 71 71 ARG H H 1 8.113 0.02 . 1 . . . . 71 ARG H . 17692 1 416 . 1 1 71 71 ARG HA H 1 4.248 0.02 . 1 . . . . 71 ARG HA . 17692 1 417 . 1 1 71 71 ARG C C 13 171.638 0.3 . 1 . . . . 71 ARG C . 17692 1 418 . 1 1 71 71 ARG CA C 13 52.321 0.3 . 1 . . . . 71 ARG CA . 17692 1 419 . 1 1 71 71 ARG CB C 13 28.72 0.3 . 1 . . . . 71 ARG CB . 17692 1 420 . 1 1 71 71 ARG N N 15 120.048 0.3 . 1 . . . . 71 ARG N . 17692 1 421 . 1 1 72 72 HIS H H 1 8.228 0.02 . 1 . . . . 72 HIS H . 17692 1 422 . 1 1 72 72 HIS HA H 1 4.577 0.02 . 1 . . . . 72 HIS HA . 17692 1 423 . 1 1 72 72 HIS C C 13 170.041 0.3 . 1 . . . . 72 HIS C . 17692 1 424 . 1 1 72 72 HIS CA C 13 51.908 0.3 . 1 . . . . 72 HIS CA . 17692 1 425 . 1 1 72 72 HIS CB C 13 27.085 0.3 . 1 . . . . 72 HIS CB . 17692 1 426 . 1 1 72 72 HIS N N 15 116.474 0.3 . 1 . . . . 72 HIS N . 17692 1 427 . 1 1 73 73 PHE H H 1 8.208 0.02 . 1 . . . . 73 PHE H . 17692 1 428 . 1 1 73 73 PHE HA H 1 4.519 0.02 . 1 . . . . 73 PHE HA . 17692 1 429 . 1 1 73 73 PHE C C 13 171.12 0.3 . 1 . . . . 73 PHE C . 17692 1 430 . 1 1 73 73 PHE CA C 13 54.232 0.3 . 1 . . . . 73 PHE CA . 17692 1 431 . 1 1 73 73 PHE CB C 13 37.151 0.3 . 1 . . . . 73 PHE CB . 17692 1 432 . 1 1 73 73 PHE N N 15 118.119 0.3 . 1 . . . . 73 PHE N . 17692 1 433 . 1 1 74 74 ILE H H 1 8.094 0.02 . 1 . . . . 74 ILE H . 17692 1 434 . 1 1 74 74 ILE HA H 1 4.129 0.02 . 1 . . . . 74 ILE HA . 17692 1 435 . 1 1 74 74 ILE C C 13 170.86 0.3 . 1 . . . . 74 ILE C . 17692 1 436 . 1 1 74 74 ILE CA C 13 57.457 0.3 . 1 . . . . 74 ILE CA . 17692 1 437 . 1 1 74 74 ILE CB C 13 36.875 0.3 . 1 . . . . 74 ILE CB . 17692 1 438 . 1 1 74 74 ILE N N 15 117.183 0.3 . 1 . . . . 74 ILE N . 17692 1 439 . 1 1 75 75 TYR H H 1 7.907 0.02 . 1 . . . . 75 TYR H . 17692 1 440 . 1 1 75 75 TYR HA H 1 4.444 0.02 . 1 . . . . 75 TYR HA . 17692 1 441 . 1 1 75 75 TYR C C 13 171.164 0.3 . 1 . . . . 75 TYR C . 17692 1 442 . 1 1 75 75 TYR CA C 13 54.131 0.3 . 1 . . . . 75 TYR CA . 17692 1 443 . 1 1 75 75 TYR CB C 13 36.767 0.3 . 1 . . . . 75 TYR CB . 17692 1 444 . 1 1 75 75 TYR N N 15 119.783 0.3 . 1 . . . . 75 TYR N . 17692 1 445 . 1 1 76 76 PHE H H 1 8.008 0.02 . 1 . . . . 76 PHE H . 17692 1 446 . 1 1 76 76 PHE HA H 1 4.418 0.02 . 1 . . . . 76 PHE HA . 17692 1 447 . 1 1 76 76 PHE C C 13 171.103 0.3 . 1 . . . . 76 PHE C . 17692 1 448 . 1 1 76 76 PHE CA C 13 53.782 0.3 . 1 . . . . 76 PHE CA . 17692 1 449 . 1 1 76 76 PHE CB C 13 38.06 0.3 . 1 . . . . 76 PHE CB . 17692 1 450 . 1 1 76 76 PHE N N 15 116.814 0.3 . 1 . . . . 76 PHE N . 17692 1 451 . 1 1 77 77 TYR H H 1 8.078 0.02 . 1 . . . . 77 TYR H . 17692 1 452 . 1 1 77 77 TYR HA H 1 4.462 0.02 . 1 . . . . 77 TYR HA . 17692 1 453 . 1 1 77 77 TYR C C 13 171.567 0.3 . 1 . . . . 77 TYR C . 17692 1 454 . 1 1 77 77 TYR CA C 13 54.281 0.3 . 1 . . . . 77 TYR CA . 17692 1 455 . 1 1 77 77 TYR CB C 13 36.517 0.3 . 1 . . . . 77 TYR CB . 17692 1 456 . 1 1 77 77 TYR N N 15 117.488 0.3 . 1 . . . . 77 TYR N . 17692 1 457 . 1 1 78 78 LEU H H 1 8.08 0.02 . 1 . . . . 78 LEU H . 17692 1 458 . 1 1 78 78 LEU HA H 1 4.207 0.02 . 1 . . . . 78 LEU HA . 17692 1 459 . 1 1 78 78 LEU C C 13 172.669 0.3 . 1 . . . . 78 LEU C . 17692 1 460 . 1 1 78 78 LEU CA C 13 51.702 0.3 . 1 . . . . 78 LEU CA . 17692 1 461 . 1 1 78 78 LEU CB C 13 40.703 0.3 . 1 . . . . 78 LEU CB . 17692 1 462 . 1 1 78 78 LEU N N 15 119.801 0.3 . 1 . . . . 78 LEU N . 17692 1 463 . 1 1 79 79 GLY H H 1 7.999 0.02 . 1 . . . . 79 GLY H . 17692 1 464 . 1 1 79 79 GLY HA2 H 1 3.701 0.02 . 1 . . . . 79 GLY HA . 17692 1 465 . 1 1 79 79 GLY HA3 H 1 3.701 0.02 . 1 . . . . 79 GLY HA . 17692 1 466 . 1 1 79 79 GLY C C 13 169.226 0.3 . 1 . . . . 79 GLY C . 17692 1 467 . 1 1 79 79 GLY CA C 13 42.309 0.3 . 1 . . . . 79 GLY CA . 17692 1 468 . 1 1 79 79 GLY N N 15 105.876 0.3 . 1 . . . . 79 GLY N . 17692 1 469 . 1 1 80 80 GLN H H 1 7.945 0.02 . 1 . . . . 80 GLN H . 17692 1 470 . 1 1 80 80 GLN HA H 1 4.207 0.02 . 1 . . . . 80 GLN HA . 17692 1 471 . 1 1 80 80 GLN C C 13 171.73 0.3 . 1 . . . . 80 GLN C . 17692 1 472 . 1 1 80 80 GLN CA C 13 52.887 0.3 . 1 . . . . 80 GLN CA . 17692 1 473 . 1 1 80 80 GLN CB C 13 27.87 0.3 . 1 . . . . 80 GLN CB . 17692 1 474 . 1 1 80 80 GLN N N 15 117.312 0.3 . 1 . . . . 80 GLN N . 17692 1 475 . 1 1 81 81 VAL H H 1 7.793 0.02 . 1 . . . . 81 VAL H . 17692 1 476 . 1 1 81 81 VAL HA H 1 4.052 0.02 . 1 . . . . 81 VAL HA . 17692 1 477 . 1 1 81 81 VAL C C 13 171.112 0.3 . 1 . . . . 81 VAL C . 17692 1 478 . 1 1 81 81 VAL CA C 13 58.032 0.3 . 1 . . . . 81 VAL CA . 17692 1 479 . 1 1 81 81 VAL CB C 13 30.169 0.3 . 1 . . . . 81 VAL CB . 17692 1 480 . 1 1 81 81 VAL N N 15 115.03 0.3 . 1 . . . . 81 VAL N . 17692 1 481 . 1 1 82 82 ALA H H 1 8.029 0.02 . 1 . . . . 82 ALA H . 17692 1 482 . 1 1 82 82 ALA HA H 1 4.236 0.02 . 1 . . . . 82 ALA HA . 17692 1 483 . 1 1 82 82 ALA C C 13 172.575 0.3 . 1 . . . . 82 ALA C . 17692 1 484 . 1 1 82 82 ALA CA C 13 48.656 0.3 . 1 . . . . 82 ALA CA . 17692 1 485 . 1 1 82 82 ALA CB C 13 17.633 0.3 . 1 . . . . 82 ALA CB . 17692 1 486 . 1 1 82 82 ALA N N 15 123.05 0.3 . 1 . . . . 82 ALA N . 17692 1 487 . 1 1 83 83 ILE H H 1 7.72 0.02 . 1 . . . . 83 ILE H . 17692 1 488 . 1 1 83 83 ILE HA H 1 4.063 0.02 . 1 . . . . 83 ILE HA . 17692 1 489 . 1 1 83 83 ILE C C 13 171.144 0.3 . 1 . . . . 83 ILE C . 17692 1 490 . 1 1 83 83 ILE CA C 13 57.396 0.3 . 1 . . . . 83 ILE CA . 17692 1 491 . 1 1 83 83 ILE CB C 13 36.422 0.3 . 1 . . . . 83 ILE CB . 17692 1 492 . 1 1 83 83 ILE N N 15 115.322 0.3 . 1 . . . . 83 ILE N . 17692 1 493 . 1 1 84 84 LEU H H 1 7.865 0.02 . 1 . . . . 84 LEU H . 17692 1 494 . 1 1 84 84 LEU HA H 1 4.236 0.02 . 1 . . . . 84 LEU HA . 17692 1 495 . 1 1 84 84 LEU C C 13 172.12 0.3 . 1 . . . . 84 LEU C . 17692 1 496 . 1 1 84 84 LEU CA C 13 51.27 0.3 . 1 . . . . 84 LEU CA . 17692 1 497 . 1 1 84 84 LEU CB C 13 40.485 0.3 . 1 . . . . 84 LEU CB . 17692 1 498 . 1 1 84 84 LEU N N 15 121.272 0.3 . 1 . . . . 84 LEU N . 17692 1 499 . 1 1 85 85 LEU H H 1 7.786 0.02 . 1 . . . . 85 LEU H . 17692 1 500 . 1 1 85 85 LEU HA H 1 4.177 0.02 . 1 . . . . 85 LEU HA . 17692 1 501 . 1 1 85 85 LEU C C 13 172.164 0.3 . 1 . . . . 85 LEU C . 17692 1 502 . 1 1 85 85 LEU CA C 13 51.31 0.3 . 1 . . . . 85 LEU CA . 17692 1 503 . 1 1 85 85 LEU CB C 13 40.719 0.3 . 1 . . . . 85 LEU CB . 17692 1 504 . 1 1 85 85 LEU N N 15 118.531 0.3 . 1 . . . . 85 LEU N . 17692 1 505 . 1 1 86 86 PHE H H 1 7.835 0.02 . 1 . . . . 86 PHE H . 17692 1 506 . 1 1 86 86 PHE HA H 1 4.507 0.02 . 1 . . . . 86 PHE HA . 17692 1 507 . 1 1 86 86 PHE C C 13 171.178 0.3 . 1 . . . . 86 PHE C . 17692 1 508 . 1 1 86 86 PHE CA C 13 53.887 0.3 . 1 . . . . 86 PHE CA . 17692 1 509 . 1 1 86 86 PHE CB C 13 37.207 0.3 . 1 . . . . 86 PHE CB . 17692 1 510 . 1 1 86 86 PHE N N 15 116.345 0.3 . 1 . . . . 86 PHE N . 17692 1 511 . 1 1 87 87 LYS H H 1 8.021 0.02 . 1 . . . . 87 LYS H . 17692 1 512 . 1 1 87 87 LYS HA H 1 4.179 0.02 . 1 . . . . 87 LYS HA . 17692 1 513 . 1 1 87 87 LYS C C 13 171.567 0.3 . 1 . . . . 87 LYS C . 17692 1 514 . 1 1 87 87 LYS CA C 13 52.703 0.3 . 1 . . . . 87 LYS CA . 17692 1 515 . 1 1 87 87 LYS CB C 13 31.185 0.3 . 1 . . . . 87 LYS CB . 17692 1 516 . 1 1 87 87 LYS N N 15 117.807 0.3 . 1 . . . . 87 LYS N . 17692 1 517 . 1 1 88 88 SER H H 1 7.951 0.02 . 1 . . . . 88 SER H . 17692 1 518 . 1 1 88 88 SER HA H 1 4.308 0.02 . 1 . . . . 88 SER HA . 17692 1 519 . 1 1 88 88 SER C C 13 170.549 0.3 . 1 . . . . 88 SER C . 17692 1 520 . 1 1 88 88 SER CA C 13 55.274 0.3 . 1 . . . . 88 SER CA . 17692 1 521 . 1 1 88 88 SER CB C 13 61.762 0.3 . 1 . . . . 88 SER CB . 17692 1 522 . 1 1 88 88 SER N N 15 113.659 0.3 . 1 . . . . 88 SER N . 17692 1 523 . 1 1 89 89 GLY H H 1 8.026 0.02 . 1 . . . . 89 GLY H . 17692 1 524 . 1 1 89 89 GLY HA2 H 1 3.761 0.02 . 1 . . . . 89 GLY HA . 17692 1 525 . 1 1 89 89 GLY HA3 H 1 3.761 0.02 . 1 . . . . 89 GLY HA . 17692 1 526 . 1 1 89 89 GLY C C 13 171.196 0.3 . 1 . . . . 89 GLY C . 17692 1 527 . 1 1 89 89 GLY CA C 13 40.95 0.3 . 1 . . . . 89 GLY CA . 17692 1 528 . 1 1 89 89 GLY N N 15 106.422 0.3 . 1 . . . . 89 GLY N . 17692 1 stop_ save_