data_6096 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6096 _Entry.Title ; The solution structure of the pH-induced monomer of dynein light chain LC8 from Drosophila ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-02-09 _Entry.Accession_date 2004-02-10 _Entry.Last_release_date 2004-05-15 _Entry.Original_release_date 2004-05-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Makokha . . . 6096 2 Y. Huang . J. . 6096 3 G. Montelione . T. . 6096 4 A. Edison . S. . 6096 5 E. Barbar . . . 6096 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6096 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 616 6096 '13C chemical shifts' 316 6096 '15N chemical shifts' 88 6096 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-05-15 2004-02-09 original author . 6096 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6096 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14767079 _Citation.Full_citation . _Citation.Title ; The solution structure of the pH-induced monomer of dynein light-chain LC8 from Drosophila ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 3 _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 727 _Citation.Page_last 734 _Citation.Year 2004 _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 M. Makokha . . . 6096 1 2 Y. Huang . J. . 6096 1 3 G. Montelione . T. . 6096 1 4 A. Edison . S. . 6096 1 5 E. Barbar . . . 6096 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Domain swapped' 6096 1 'Dimer interface' 6096 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_LC8 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_LC8 _Assembly.Entry_ID 6096 _Assembly.ID 1 _Assembly.Name 'Dynein light chain 1, cytoplasmic' _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6096 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'LC8 monomer' 1 $LC8 . . . native . . . . . 6096 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 . PDB 1RHW . . . . . . 6096 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Dynein light chain 1, cytoplasmic' system 6096 1 LC8 abbreviation 6096 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LC8 _Entity.Sf_category entity _Entity.Sf_framecode LC8 _Entity.Entry_ID 6096 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'dynein light chain' _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 10743 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15076 . LC8 . . . . . 100.00 89 100.00 100.00 1.30e-59 . . . . 6096 1 2 no BMRB 15077 . LC8 . . . . . 100.00 89 100.00 100.00 1.30e-59 . . . . 6096 1 3 no BMRB 15078 . LC8 . . . . . 100.00 89 100.00 100.00 1.30e-59 . . . . 6096 1 4 no BMRB 15953 . H55K_mutant_of_LC8 . . . . . 100.00 89 98.88 98.88 2.24e-58 . . . . 6096 1 5 no BMRB 16847 . LC8 . . . . . 100.00 89 100.00 100.00 1.30e-59 . . . . 6096 1 6 no BMRB 17692 . DLC8 . . . . . 100.00 89 100.00 100.00 1.30e-59 . . . . 6096 1 7 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 1.30e-59 . . . . 6096 1 8 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 1.30e-59 . . . . 6096 1 9 no PDB 2PG1 . "Structural Analysis Of A Cytoplasmic Dynein Light Chain- Intermediate Chain Complex" . . . . . 100.00 91 100.00 100.00 1.46e-59 . . . . 6096 1 10 no PDB 3BRI . "Crystal Structure Of Apo-Lc8" . . . . . 100.00 89 100.00 100.00 1.30e-59 . . . . 6096 1 11 no PDB 3BRL . "Crystal Structure Of Lc8 S88e SWA" . . . . . 100.00 89 98.88 98.88 7.52e-59 . . . . 6096 1 12 no PDB 3DVH . "Lc8 Point Mutant K36p" . . . . . 100.00 91 98.88 98.88 8.61e-59 . . . . 6096 1 13 no PDB 3DVP . "Pak1 Peptide Bound Lc8" . . . . . 100.00 91 98.88 98.88 8.61e-59 . . . . 6096 1 14 no PDB 3DVT . "Biochemical And Structural Characterization Of The Pak1- Lc8 Interaction" . . . . . 100.00 91 100.00 100.00 1.46e-59 . . . . 6096 1 15 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 1.30e-59 . . . . 6096 1 16 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 1.30e-59 . . . . 6096 1 17 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 1.30e-59 . . . . 6096 1 18 no PDB 4QH7 . "Lc8 - Ana2 (159-168) Complex" . . . . . 100.00 94 100.00 100.00 1.63e-59 . . . . 6096 1 19 no PDB 4QH8 . "Lc8 - Ana2 (237-246) Complex" . . . . . 100.00 94 100.00 100.00 1.63e-59 . . . . 6096 1 20 no EMBL CDQ62741 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 100.00 132 97.75 100.00 1.17e-57 . . . . 6096 1 21 no EMBL CDQ75050 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 100.00 89 97.75 100.00 1.98e-58 . . . . 6096 1 22 no GB AAB04148 . "cytoplasmic dynein light chain 1 [Drosophila melanogaster]" . . . . . 100.00 89 100.00 100.00 1.30e-59 . . . . 6096 1 23 no GB AAD00072 . "8kd dynein light chain [Drosophila melanogaster]" . . . . . 100.00 89 100.00 100.00 1.30e-59 . . . . 6096 1 24 no GB AAD00073 . "8kd dynein light chain [Drosophila melanogaster]" . . . . . 100.00 89 98.88 100.00 4.46e-59 . . . . 6096 1 25 no GB AAD00074 . "8kd dynein light chain [Drosophila melanogaster]" . . . . . 100.00 89 100.00 100.00 1.30e-59 . . . . 6096 1 26 no GB AAF45975 . "cut up, isoform A [Drosophila melanogaster]" . . . . . 100.00 89 100.00 100.00 1.30e-59 . . . . 6096 1 27 no REF NP_001135068 . "Dynein light chain 1, cytoplasmic [Salmo salar]" . . . . . 100.00 89 97.75 100.00 1.98e-58 . . . . 6096 1 28 no REF NP_001177683 . "dynein light chain A [Nasonia vitripennis]" . . . . . 100.00 89 100.00 100.00 1.30e-59 . . . . 6096 1 29 no REF NP_001188181 . "dynein light chain 1 cytoplasmic [Ictalurus punctatus]" . . . . . 100.00 89 97.75 100.00 1.98e-58 . . . . 6096 1 30 no REF NP_001245530 . "cut up, isoform E [Drosophila melanogaster]" . . . . . 100.00 89 100.00 100.00 1.30e-59 . . . . 6096 1 31 no REF NP_001245836 . "cytoplasmic dynein light chain 2, isoform C [Drosophila melanogaster]" . . . . . 100.00 89 98.88 100.00 4.46e-59 . . . . 6096 1 32 no SP O96860 . "RecName: Full=Dynein light chain 2, cytoplasmic; AltName: Full=8 kDa dynein light chain [Drosophila melanogaster]" . . . . . 100.00 89 98.88 100.00 4.46e-59 . . . . 6096 1 33 no SP Q24117 . "RecName: Full=Dynein light chain 1, cytoplasmic; AltName: Full=8 kDa dynein light chain; AltName: Full=Cut up protein [Drosophi" . . . . . 100.00 89 100.00 100.00 1.30e-59 . . . . 6096 1 34 no TPG DAA34424 . "TPA_exp: dynein light chain [Amblyomma variegatum]" . . . . . 95.51 85 97.65 98.82 1.84e-54 . . . . 6096 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'dynein light chain' common 6096 1 LC8 abbreviation 6096 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 . 6096 1 2 . SER . 6096 1 3 . ASP . 6096 1 4 . ARG . 6096 1 5 . LYS . 6096 1 6 . ALA . 6096 1 7 . VAL . 6096 1 8 . ILE . 6096 1 9 . LYS . 6096 1 10 . ASN . 6096 1 11 . ALA . 6096 1 12 . ASP . 6096 1 13 . MET . 6096 1 14 . SER . 6096 1 15 . GLU . 6096 1 16 . GLU . 6096 1 17 . MET . 6096 1 18 . GLN . 6096 1 19 . GLN . 6096 1 20 . ASP . 6096 1 21 . ALA . 6096 1 22 . VAL . 6096 1 23 . ASP . 6096 1 24 . CYS . 6096 1 25 . ALA . 6096 1 26 . THR . 6096 1 27 . GLN . 6096 1 28 . ALA . 6096 1 29 . LEU . 6096 1 30 . GLU . 6096 1 31 . LYS . 6096 1 32 . TYR . 6096 1 33 . ASN . 6096 1 34 . ILE . 6096 1 35 . GLU . 6096 1 36 . LYS . 6096 1 37 . ASP . 6096 1 38 . ILE . 6096 1 39 . ALA . 6096 1 40 . ALA . 6096 1 41 . TYR . 6096 1 42 . ILE . 6096 1 43 . LYS . 6096 1 44 . LYS . 6096 1 45 . GLU . 6096 1 46 . PHE . 6096 1 47 . ASP . 6096 1 48 . LYS . 6096 1 49 . LYS . 6096 1 50 . TYR . 6096 1 51 . ASN . 6096 1 52 . PRO . 6096 1 53 . THR . 6096 1 54 . TRP . 6096 1 55 . HIS . 6096 1 56 . CYS . 6096 1 57 . ILE . 6096 1 58 . VAL . 6096 1 59 . GLY . 6096 1 60 . ARG . 6096 1 61 . ASN . 6096 1 62 . PHE . 6096 1 63 . GLY . 6096 1 64 . SER . 6096 1 65 . TYR . 6096 1 66 . VAL . 6096 1 67 . THR . 6096 1 68 . HIS . 6096 1 69 . GLU . 6096 1 70 . THR . 6096 1 71 . ARG . 6096 1 72 . HIS . 6096 1 73 . PHE . 6096 1 74 . ILE . 6096 1 75 . TYR . 6096 1 76 . PHE . 6096 1 77 . TYR . 6096 1 78 . LEU . 6096 1 79 . GLY . 6096 1 80 . GLN . 6096 1 81 . VAL . 6096 1 82 . ALA . 6096 1 83 . ILE . 6096 1 84 . LEU . 6096 1 85 . LEU . 6096 1 86 . PHE . 6096 1 87 . LYS . 6096 1 88 . SER . 6096 1 89 . GLY . 6096 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 6096 1 . SER 2 2 6096 1 . ASP 3 3 6096 1 . ARG 4 4 6096 1 . LYS 5 5 6096 1 . ALA 6 6 6096 1 . VAL 7 7 6096 1 . ILE 8 8 6096 1 . LYS 9 9 6096 1 . ASN 10 10 6096 1 . ALA 11 11 6096 1 . ASP 12 12 6096 1 . MET 13 13 6096 1 . SER 14 14 6096 1 . GLU 15 15 6096 1 . GLU 16 16 6096 1 . MET 17 17 6096 1 . GLN 18 18 6096 1 . GLN 19 19 6096 1 . ASP 20 20 6096 1 . ALA 21 21 6096 1 . VAL 22 22 6096 1 . ASP 23 23 6096 1 . CYS 24 24 6096 1 . ALA 25 25 6096 1 . THR 26 26 6096 1 . GLN 27 27 6096 1 . ALA 28 28 6096 1 . LEU 29 29 6096 1 . GLU 30 30 6096 1 . LYS 31 31 6096 1 . TYR 32 32 6096 1 . ASN 33 33 6096 1 . ILE 34 34 6096 1 . GLU 35 35 6096 1 . LYS 36 36 6096 1 . ASP 37 37 6096 1 . ILE 38 38 6096 1 . ALA 39 39 6096 1 . ALA 40 40 6096 1 . TYR 41 41 6096 1 . ILE 42 42 6096 1 . LYS 43 43 6096 1 . LYS 44 44 6096 1 . GLU 45 45 6096 1 . PHE 46 46 6096 1 . ASP 47 47 6096 1 . LYS 48 48 6096 1 . LYS 49 49 6096 1 . TYR 50 50 6096 1 . ASN 51 51 6096 1 . PRO 52 52 6096 1 . THR 53 53 6096 1 . TRP 54 54 6096 1 . HIS 55 55 6096 1 . CYS 56 56 6096 1 . ILE 57 57 6096 1 . VAL 58 58 6096 1 . GLY 59 59 6096 1 . ARG 60 60 6096 1 . ASN 61 61 6096 1 . PHE 62 62 6096 1 . GLY 63 63 6096 1 . SER 64 64 6096 1 . TYR 65 65 6096 1 . VAL 66 66 6096 1 . THR 67 67 6096 1 . HIS 68 68 6096 1 . GLU 69 69 6096 1 . THR 70 70 6096 1 . ARG 71 71 6096 1 . HIS 72 72 6096 1 . PHE 73 73 6096 1 . ILE 74 74 6096 1 . TYR 75 75 6096 1 . PHE 76 76 6096 1 . TYR 77 77 6096 1 . LEU 78 78 6096 1 . GLY 79 79 6096 1 . GLN 80 80 6096 1 . VAL 81 81 6096 1 . ALA 82 82 6096 1 . ILE 83 83 6096 1 . LEU 84 84 6096 1 . LEU 85 85 6096 1 . PHE 86 86 6096 1 . LYS 87 87 6096 1 . SER 88 88 6096 1 . GLY 89 89 6096 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 6096 _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 $LC8 . 7227 . . 'Drosophila melanogaster' 'Fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 6096 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 6096 _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 $LC8 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6096 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6096 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'dynein light chain' '[U-15N; U-13C]' . . 1 $LC8 . . . 0.8 1.4 mM . . . . 6096 1 2 NaCl . . . . . . . 50 . . mM . . . . 6096 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6096 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 3.0 0.2 n/a 6096 1 temperature 303 1 K 6096 1 'ionic strength' 50 . mM 6096 1 pressure 1 . atm 6096 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 6096 _Software.ID 1 _Software.Name FELIX _Software.Version 97 _Software.Details Accelerys loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6096 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6096 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details Delaglio loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6096 2 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 6096 _Software.ID 3 _Software.Name AutoAssign _Software.Version 1.9 _Software.Details Zimmerman loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6096 3 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 6096 _Software.ID 4 _Software.Name AutoStructure _Software.Version 1.1.2 _Software.Details 'Huang, Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6096 4 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 6096 _Software.ID 5 _Software.Name DYANA _Software.Version 1.5 _Software.Details Guntert loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6096 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6096 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6096 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 6096 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6096 _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 NMR_spectrometer_1 Varian INOVA . 500 . . . 6096 1 2 NMR_spectrometer_2 Varian INOVA . 750 . . . 6096 1 3 NMR_spectrometer_3 Bruker AVANCE . 600 . . . 6096 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 6096 _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 '3D 15N-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6096 1 2 13C-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6096 1 3 'H/D EXCHANGE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6096 1 4 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6096 1 5 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6096 1 6 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6096 1 7 COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6096 1 8 CT-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6096 1 9 'backbone TR experiments' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6096 1 10 '3D TOCSYS' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6096 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6096 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6096 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 13C-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6096 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 'H/D EXCHANGE' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6096 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6096 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '2D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6096 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6096 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6096 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name CT-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6096 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 'backbone TR experiments' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6096 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D TOCSYS' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6096 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6096 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6096 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6096 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6096 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6096 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 HA H 1 4.197 0.03 . 1 . . . . . . . . 6096 1 2 . 1 1 1 1 MET HB2 H 1 2.208 0.03 . 1 . . . . . . . . 6096 1 3 . 1 1 1 1 MET HB3 H 1 2.208 0.03 . 1 . . . . . . . . 6096 1 4 . 1 1 1 1 MET HG2 H 1 2.637 0.03 . 1 . . . . . . . . 6096 1 5 . 1 1 1 1 MET HG3 H 1 2.637 0.03 . 1 . . . . . . . . 6096 1 6 . 1 1 1 1 MET CA C 13 55.36 0.3 . 1 . . . . . . . . 6096 1 7 . 1 1 1 1 MET CB C 13 32.86 0.3 . 1 . . . . . . . . 6096 1 8 . 1 1 1 1 MET CG C 13 31.51 0.3 . 1 . . . . . . . . 6096 1 9 . 1 1 2 2 SER H H 1 8.748 0.03 . 1 . . . . . . . . 6096 1 10 . 1 1 2 2 SER HA H 1 4.548 0.03 . 1 . . . . . . . . 6096 1 11 . 1 1 2 2 SER HB2 H 1 3.887 0.03 . 1 . . . . . . . . 6096 1 12 . 1 1 2 2 SER HB3 H 1 3.887 0.03 . 1 . . . . . . . . 6096 1 13 . 1 1 2 2 SER CA C 13 58.64 0.3 . 1 . . . . . . . . 6096 1 14 . 1 1 2 2 SER CB C 13 64.29 0.3 . 1 . . . . . . . . 6096 1 15 . 1 1 2 2 SER N N 15 120.2 0.3 . 1 . . . . . . . . 6096 1 16 . 1 1 3 3 ASP H H 1 8.59 0.03 . 1 . . . . . . . . 6096 1 17 . 1 1 3 3 ASP HA H 1 4.73 0.03 . 1 . . . . . . . . 6096 1 18 . 1 1 3 3 ASP HB2 H 1 2.875 0.03 . 1 . . . . . . . . 6096 1 19 . 1 1 3 3 ASP HB3 H 1 2.875 0.03 . 1 . . . . . . . . 6096 1 20 . 1 1 3 3 ASP CA C 13 53.48 0.3 . 1 . . . . . . . . 6096 1 21 . 1 1 3 3 ASP CB C 13 39.5 0.3 . 1 . . . . . . . . 6096 1 22 . 1 1 3 3 ASP N N 15 123.34 0.3 . 1 . . . . . . . . 6096 1 23 . 1 1 4 4 ARG H H 1 8.339 0.03 . 1 . . . . . . . . 6096 1 24 . 1 1 4 4 ARG HA H 1 4.367 0.03 . 1 . . . . . . . . 6096 1 25 . 1 1 4 4 ARG HB2 H 1 1.839 0.03 . 2 . . . . . . . . 6096 1 26 . 1 1 4 4 ARG HB3 H 1 1.729 0.03 . 2 . . . . . . . . 6096 1 27 . 1 1 4 4 ARG HG2 H 1 1.654 0.03 . 1 . . . . . . . . 6096 1 28 . 1 1 4 4 ARG HG3 H 1 1.654 0.03 . 1 . . . . . . . . 6096 1 29 . 1 1 4 4 ARG HD2 H 1 3.181 0.03 . 1 . . . . . . . . 6096 1 30 . 1 1 4 4 ARG HD3 H 1 3.181 0.03 . 1 . . . . . . . . 6096 1 31 . 1 1 4 4 ARG CA C 13 56.29 0.3 . 1 . . . . . . . . 6096 1 32 . 1 1 4 4 ARG CB C 13 31.45 0.3 . 1 . . . . . . . . 6096 1 33 . 1 1 4 4 ARG CG C 13 27.47 0.3 . 1 . . . . . . . . 6096 1 34 . 1 1 4 4 ARG CD C 13 43.68 0.3 . 1 . . . . . . . . 6096 1 35 . 1 1 4 4 ARG N N 15 123 0.3 . 1 . . . . . . . . 6096 1 36 . 1 1 5 5 LYS H H 1 8.1168 0.03 . 1 . . . . . . . . 6096 1 37 . 1 1 5 5 LYS HA H 1 4.343 0.03 . 1 . . . . . . . . 6096 1 38 . 1 1 5 5 LYS HB2 H 1 1.8 0.03 . 1 . . . . . . . . 6096 1 39 . 1 1 5 5 LYS HB3 H 1 1.8 0.03 . 1 . . . . . . . . 6096 1 40 . 1 1 5 5 LYS HG2 H 1 1.42 0.03 . 1 . . . . . . . . 6096 1 41 . 1 1 5 5 LYS HG3 H 1 1.42 0.03 . 1 . . . . . . . . 6096 1 42 . 1 1 5 5 LYS HD2 H 1 1.7 0.03 . 1 . . . . . . . . 6096 1 43 . 1 1 5 5 LYS HD3 H 1 1.7 0.03 . 1 . . . . . . . . 6096 1 44 . 1 1 5 5 LYS HE2 H 1 3 0.03 . 1 . . . . . . . . 6096 1 45 . 1 1 5 5 LYS HE3 H 1 3 0.03 . 1 . . . . . . . . 6096 1 46 . 1 1 5 5 LYS CA C 13 56.56 0.3 . 1 . . . . . . . . 6096 1 47 . 1 1 5 5 LYS CB C 13 33.64 0.3 . 1 . . . . . . . . 6096 1 48 . 1 1 5 5 LYS CG C 13 25.42 0.3 . 1 . . . . . . . . 6096 1 49 . 1 1 5 5 LYS CD C 13 29.89 0.3 . 1 . . . . . . . . 6096 1 50 . 1 1 5 5 LYS CE C 13 42.57 0.3 . 1 . . . . . . . . 6096 1 51 . 1 1 5 5 LYS N N 15 123.3 0.3 . 1 . . . . . . . . 6096 1 52 . 1 1 6 6 ALA H H 1 8.535 0.03 . 1 . . . . . . . . 6096 1 53 . 1 1 6 6 ALA HA H 1 5.2 0.03 . 1 . . . . . . . . 6096 1 54 . 1 1 6 6 ALA HB1 H 1 1.37 0.03 . 1 . . . . . . . . 6096 1 55 . 1 1 6 6 ALA HB2 H 1 1.37 0.03 . 1 . . . . . . . . 6096 1 56 . 1 1 6 6 ALA HB3 H 1 1.37 0.03 . 1 . . . . . . . . 6096 1 57 . 1 1 6 6 ALA CA C 13 51.9 0.3 . 1 . . . . . . . . 6096 1 58 . 1 1 6 6 ALA CB C 13 21.5 0.3 . 1 . . . . . . . . 6096 1 59 . 1 1 6 6 ALA N N 15 128.8 0.3 . 1 . . . . . . . . 6096 1 60 . 1 1 7 7 VAL H H 1 8.91 0.03 . 1 . . . . . . . . 6096 1 61 . 1 1 7 7 VAL HA H 1 4.25 0.03 . 1 . . . . . . . . 6096 1 62 . 1 1 7 7 VAL HB H 1 2.061 0.03 . 1 . . . . . . . . 6096 1 63 . 1 1 7 7 VAL HG11 H 1 0.873 0.03 . 2 . . . . . . . . 6096 1 64 . 1 1 7 7 VAL HG12 H 1 0.873 0.03 . 2 . . . . . . . . 6096 1 65 . 1 1 7 7 VAL HG13 H 1 0.873 0.03 . 2 . . . . . . . . 6096 1 66 . 1 1 7 7 VAL HG21 H 1 0.945 0.03 . 2 . . . . . . . . 6096 1 67 . 1 1 7 7 VAL HG22 H 1 0.945 0.03 . 2 . . . . . . . . 6096 1 68 . 1 1 7 7 VAL HG23 H 1 0.945 0.03 . 2 . . . . . . . . 6096 1 69 . 1 1 7 7 VAL CA C 13 62.39 0.3 . 1 . . . . . . . . 6096 1 70 . 1 1 7 7 VAL CB C 13 34.73 0.3 . 1 . . . . . . . . 6096 1 71 . 1 1 7 7 VAL CG1 C 13 20.9 0.3 . 1 . . . . . . . . 6096 1 72 . 1 1 7 7 VAL CG2 C 13 20.9 0.3 . 1 . . . . . . . . 6096 1 73 . 1 1 7 7 VAL N N 15 124.5 0.3 . 1 . . . . . . . . 6096 1 74 . 1 1 8 8 ILE H H 1 9.1 0.03 . 1 . . . . . . . . 6096 1 75 . 1 1 8 8 ILE HA H 1 4.136 0.03 . 1 . . . . . . . . 6096 1 76 . 1 1 8 8 ILE HB H 1 1.925 0.03 . 1 . . . . . . . . 6096 1 77 . 1 1 8 8 ILE HG12 H 1 1.492 0.03 . 2 . . . . . . . . 6096 1 78 . 1 1 8 8 ILE HG13 H 1 0.916 0.03 . 2 . . . . . . . . 6096 1 79 . 1 1 8 8 ILE HG21 H 1 0.805 0.03 . 1 . . . . . . . . 6096 1 80 . 1 1 8 8 ILE HG22 H 1 0.805 0.03 . 1 . . . . . . . . 6096 1 81 . 1 1 8 8 ILE HG23 H 1 0.805 0.03 . 1 . . . . . . . . 6096 1 82 . 1 1 8 8 ILE HD11 H 1 0.737 0.03 . 1 . . . . . . . . 6096 1 83 . 1 1 8 8 ILE HD12 H 1 0.737 0.03 . 1 . . . . . . . . 6096 1 84 . 1 1 8 8 ILE HD13 H 1 0.737 0.03 . 1 . . . . . . . . 6096 1 85 . 1 1 8 8 ILE CA C 13 62.39 0.3 . 1 . . . . . . . . 6096 1 86 . 1 1 8 8 ILE CB C 13 37.54 0.3 . 1 . . . . . . . . 6096 1 87 . 1 1 8 8 ILE CG1 C 13 28.2 0.3 . 2 . . . . . . . . 6096 1 88 . 1 1 8 8 ILE CG2 C 13 17.96 0.3 . 2 . . . . . . . . 6096 1 89 . 1 1 8 8 ILE CD1 C 13 12.7 0.3 . 1 . . . . . . . . 6096 1 90 . 1 1 8 8 ILE N N 15 130.7 0.3 . 1 . . . . . . . . 6096 1 91 . 1 1 9 9 LYS H H 1 8.736 0.03 . 1 . . . . . . . . 6096 1 92 . 1 1 9 9 LYS HA H 1 4.4 0.03 . 1 . . . . . . . . 6096 1 93 . 1 1 9 9 LYS HB2 H 1 1.84 0.03 . 2 . . . . . . . . 6096 1 94 . 1 1 9 9 LYS HB3 H 1 1.62 0.03 . 2 . . . . . . . . 6096 1 95 . 1 1 9 9 LYS HG2 H 1 1.31 0.03 . 1 . . . . . . . . 6096 1 96 . 1 1 9 9 LYS HG3 H 1 1.31 0.03 . 1 . . . . . . . . 6096 1 97 . 1 1 9 9 LYS HD2 H 1 1.587 0.03 . 1 . . . . . . . . 6096 1 98 . 1 1 9 9 LYS HD3 H 1 1.587 0.03 . 1 . . . . . . . . 6096 1 99 . 1 1 9 9 LYS HE2 H 1 2.774 0.03 . 2 . . . . . . . . 6096 1 100 . 1 1 9 9 LYS HE3 H 1 2.907 0.03 . 2 . . . . . . . . 6096 1 101 . 1 1 9 9 LYS CA C 13 56.76 0.3 . 1 . . . . . . . . 6096 1 102 . 1 1 9 9 LYS CB C 13 32.88 0.3 . 1 . . . . . . . . 6096 1 103 . 1 1 9 9 LYS CG C 13 24.3 0.3 . 1 . . . . . . . . 6096 1 104 . 1 1 9 9 LYS CD C 13 28.22 0.3 . 1 . . . . . . . . 6096 1 105 . 1 1 9 9 LYS CE C 13 42.75 0.3 . 1 . . . . . . . . 6096 1 106 . 1 1 9 9 LYS N N 15 130.3 0.3 . 1 . . . . . . . . 6096 1 107 . 1 1 10 10 ASN H H 1 8.033 0.03 . 1 . . . . . . . . 6096 1 108 . 1 1 10 10 ASN HA H 1 5 0.03 . 1 . . . . . . . . 6096 1 109 . 1 1 10 10 ASN HB2 H 1 2.96 0.03 . 1 . . . . . . . . 6096 1 110 . 1 1 10 10 ASN HB3 H 1 2.96 0.03 . 1 . . . . . . . . 6096 1 111 . 1 1 10 10 ASN CA C 13 53.57 0.3 . 1 . . . . . . . . 6096 1 112 . 1 1 10 10 ASN CB C 13 41.8 0.3 . 1 . . . . . . . . 6096 1 113 . 1 1 10 10 ASN N N 15 115.1 0.3 . 1 . . . . . . . . 6096 1 114 . 1 1 11 11 ALA H H 1 8.566 0.03 . 1 . . . . . . . . 6096 1 115 . 1 1 11 11 ALA HA H 1 4.03 0.03 . 1 . . . . . . . . 6096 1 116 . 1 1 11 11 ALA HB1 H 1 1.283 0.03 . 1 . . . . . . . . 6096 1 117 . 1 1 11 11 ALA HB2 H 1 1.283 0.03 . 1 . . . . . . . . 6096 1 118 . 1 1 11 11 ALA HB3 H 1 1.283 0.03 . 1 . . . . . . . . 6096 1 119 . 1 1 11 11 ALA CA C 13 52.65 0.3 . 1 . . . . . . . . 6096 1 120 . 1 1 11 11 ALA CB C 13 22.54 0.3 . 1 . . . . . . . . 6096 1 121 . 1 1 11 11 ALA N N 15 124.99 0.3 . 1 . . . . . . . . 6096 1 122 . 1 1 12 12 ASP H H 1 7.776 0.03 . 1 . . . . . . . . 6096 1 123 . 1 1 12 12 ASP HA H 1 3.875 0.03 . 1 . . . . . . . . 6096 1 124 . 1 1 12 12 ASP HB2 H 1 2.261 0.03 . 1 . . . . . . . . 6096 1 125 . 1 1 12 12 ASP HB3 H 1 2.261 0.03 . 1 . . . . . . . . 6096 1 126 . 1 1 12 12 ASP CA C 13 53 0.3 . 1 . . . . . . . . 6096 1 127 . 1 1 12 12 ASP CB C 13 39.48 0.3 . 1 . . . . . . . . 6096 1 128 . 1 1 12 12 ASP N N 15 120.3 0.3 . 1 . . . . . . . . 6096 1 129 . 1 1 13 13 MET H H 1 7.913 0.03 . 1 . . . . . . . . 6096 1 130 . 1 1 13 13 MET HA H 1 4.71 0.03 . 1 . . . . . . . . 6096 1 131 . 1 1 13 13 MET HB2 H 1 2.06 0.03 . 2 . . . . . . . . 6096 1 132 . 1 1 13 13 MET HB3 H 1 2.18 0.03 . 2 . . . . . . . . 6096 1 133 . 1 1 13 13 MET HG2 H 1 2.699 0.03 . 2 . . . . . . . . 6096 1 134 . 1 1 13 13 MET HG3 H 1 2.51 0.03 . 2 . . . . . . . . 6096 1 135 . 1 1 13 13 MET CA C 13 56.7 0.3 . 1 . . . . . . . . 6096 1 136 . 1 1 13 13 MET CB C 13 36.8 0.3 . 1 . . . . . . . . 6096 1 137 . 1 1 13 13 MET CG C 13 32.88 0.3 . 1 . . . . . . . . 6096 1 138 . 1 1 13 13 MET N N 15 121.5 0.3 . 1 . . . . . . . . 6096 1 139 . 1 1 14 14 SER H H 1 8.946 0.03 . 1 . . . . . . . . 6096 1 140 . 1 1 14 14 SER HA H 1 4.43 0.03 . 1 . . . . . . . . 6096 1 141 . 1 1 14 14 SER HB2 H 1 4.14 0.03 . 1 . . . . . . . . 6096 1 142 . 1 1 14 14 SER HB3 H 1 4.14 0.03 . 1 . . . . . . . . 6096 1 143 . 1 1 14 14 SER CA C 13 58.64 0.3 . 1 . . . . . . . . 6096 1 144 . 1 1 14 14 SER CB C 13 64.73 0.3 . 1 . . . . . . . . 6096 1 145 . 1 1 14 14 SER N N 15 123.25 0.3 . 1 . . . . . . . . 6096 1 146 . 1 1 15 15 GLU H H 1 9.128 0.03 . 1 . . . . . . . . 6096 1 147 . 1 1 15 15 GLU HA H 1 3.85 0.03 . 1 . . . . . . . . 6096 1 148 . 1 1 15 15 GLU HB2 H 1 2.15 0.03 . 2 . . . . . . . . 6096 1 149 . 1 1 15 15 GLU HB3 H 1 2.073 0.03 . 2 . . . . . . . . 6096 1 150 . 1 1 15 15 GLU HG2 H 1 2.53 0.03 . 1 . . . . . . . . 6096 1 151 . 1 1 15 15 GLU HG3 H 1 2.53 0.03 . 1 . . . . . . . . 6096 1 152 . 1 1 15 15 GLU CA C 13 60.1 0.3 . 1 . . . . . . . . 6096 1 153 . 1 1 15 15 GLU CB C 13 27.7 0.3 . 1 . . . . . . . . 6096 1 154 . 1 1 15 15 GLU CG C 13 32.86 0.3 . 1 . . . . . . . . 6096 1 155 . 1 1 15 15 GLU N N 15 124.6 0.3 . 1 . . . . . . . . 6096 1 156 . 1 1 16 16 GLU H H 1 8.64 0.03 . 1 . . . . . . . . 6096 1 157 . 1 1 16 16 GLU HA H 1 4 0.03 . 1 . . . . . . . . 6096 1 158 . 1 1 16 16 GLU HB2 H 1 1.98 0.03 . 1 . . . . . . . . 6096 1 159 . 1 1 16 16 GLU HB3 H 1 1.98 0.03 . 1 . . . . . . . . 6096 1 160 . 1 1 16 16 GLU HG2 H 1 2.525 0.03 . 1 . . . . . . . . 6096 1 161 . 1 1 16 16 GLU HG3 H 1 2.525 0.03 . 1 . . . . . . . . 6096 1 162 . 1 1 16 16 GLU CA C 13 60.1 0.3 . 1 . . . . . . . . 6096 1 163 . 1 1 16 16 GLU CB C 13 28.03 0.3 . 1 . . . . . . . . 6096 1 164 . 1 1 16 16 GLU CG C 13 32.86 0.3 . 1 . . . . . . . . 6096 1 165 . 1 1 16 16 GLU N N 15 119.8 0.3 . 1 . . . . . . . . 6096 1 166 . 1 1 17 17 MET H H 1 7.485 0.03 . 1 . . . . . . . . 6096 1 167 . 1 1 17 17 MET HA H 1 3.805 0.03 . 1 . . . . . . . . 6096 1 168 . 1 1 17 17 MET CA C 13 60.11 0.3 . 1 . . . . . . . . 6096 1 169 . 1 1 17 17 MET CB C 13 33 0.3 . 1 . . . . . . . . 6096 1 170 . 1 1 17 17 MET CG C 13 30 0.3 . 1 . . . . . . . . 6096 1 171 . 1 1 17 17 MET N N 15 121.9 0.3 . 1 . . . . . . . . 6096 1 172 . 1 1 18 18 GLN H H 1 8.372 0.03 . 1 . . . . . . . . 6096 1 173 . 1 1 18 18 GLN HA H 1 3.695 0.03 . 1 . . . . . . . . 6096 1 174 . 1 1 18 18 GLN HB2 H 1 1.95 0.03 . 2 . . . . . . . . 6096 1 175 . 1 1 18 18 GLN HB3 H 1 2.02 0.03 . 2 . . . . . . . . 6096 1 176 . 1 1 18 18 GLN HG2 H 1 2.4 0.03 . 2 . . . . . . . . 6096 1 177 . 1 1 18 18 GLN HG3 H 1 1.785 0.03 . 2 . . . . . . . . 6096 1 178 . 1 1 18 18 GLN CA C 13 60.11 0.3 . 1 . . . . . . . . 6096 1 179 . 1 1 18 18 GLN CB C 13 28.64 0.3 . 1 . . . . . . . . 6096 1 180 . 1 1 18 18 GLN CG C 13 34.94 0.3 . 1 . . . . . . . . 6096 1 181 . 1 1 18 18 GLN N N 15 120.4 0.3 . 1 . . . . . . . . 6096 1 182 . 1 1 19 19 GLN H H 1 7.949 0.03 . 1 . . . . . . . . 6096 1 183 . 1 1 19 19 GLN HA H 1 3.83 0.03 . 1 . . . . . . . . 6096 1 184 . 1 1 19 19 GLN HB2 H 1 2.1 0.03 . 1 . . . . . . . . 6096 1 185 . 1 1 19 19 GLN HB3 H 1 2.1 0.03 . 1 . . . . . . . . 6096 1 186 . 1 1 19 19 GLN HG2 H 1 2.42 0.03 . 2 . . . . . . . . 6096 1 187 . 1 1 19 19 GLN HG3 H 1 2.38 0.03 . 2 . . . . . . . . 6096 1 188 . 1 1 19 19 GLN CA C 13 58.64 0.3 . 1 . . . . . . . . 6096 1 189 . 1 1 19 19 GLN CB C 13 28.59 0.3 . 1 . . . . . . . . 6096 1 190 . 1 1 19 19 GLN CG C 13 34 0.3 . 1 . . . . . . . . 6096 1 191 . 1 1 19 19 GLN N N 15 118.5 0.3 . 1 . . . . . . . . 6096 1 192 . 1 1 20 20 ASP H H 1 7.945 0.03 . 1 . . . . . . . . 6096 1 193 . 1 1 20 20 ASP HA H 1 4.589 0.03 . 1 . . . . . . . . 6096 1 194 . 1 1 20 20 ASP HB2 H 1 2.94 0.03 . 2 . . . . . . . . 6096 1 195 . 1 1 20 20 ASP HB3 H 1 2.84 0.03 . 2 . . . . . . . . 6096 1 196 . 1 1 20 20 ASP CA C 13 57.23 0.3 . 1 . . . . . . . . 6096 1 197 . 1 1 20 20 ASP CB C 13 39.9 0.3 . 1 . . . . . . . . 6096 1 198 . 1 1 20 20 ASP N N 15 120.7 0.3 . 1 . . . . . . . . 6096 1 199 . 1 1 21 21 ALA H H 1 8.66 0.03 . 1 . . . . . . . . 6096 1 200 . 1 1 21 21 ALA HA H 1 3.88 0.03 . 1 . . . . . . . . 6096 1 201 . 1 1 21 21 ALA HB1 H 1 1.196 0.03 . 1 . . . . . . . . 6096 1 202 . 1 1 21 21 ALA HB2 H 1 1.196 0.03 . 1 . . . . . . . . 6096 1 203 . 1 1 21 21 ALA HB3 H 1 1.196 0.03 . 1 . . . . . . . . 6096 1 204 . 1 1 21 21 ALA CA C 13 56.57 0.3 . 1 . . . . . . . . 6096 1 205 . 1 1 21 21 ALA CB C 13 18.32 0.3 . 1 . . . . . . . . 6096 1 206 . 1 1 21 21 ALA N N 15 125.2 0.3 . 1 . . . . . . . . 6096 1 207 . 1 1 22 22 VAL H H 1 7.69 0.03 . 1 . . . . . . . . 6096 1 208 . 1 1 22 22 VAL HA H 1 3.41 0.03 . 1 . . . . . . . . 6096 1 209 . 1 1 22 22 VAL HB H 1 1.97 0.03 . 1 . . . . . . . . 6096 1 210 . 1 1 22 22 VAL HG11 H 1 0.44 0.03 . 2 . . . . . . . . 6096 1 211 . 1 1 22 22 VAL HG12 H 1 0.44 0.03 . 2 . . . . . . . . 6096 1 212 . 1 1 22 22 VAL HG13 H 1 0.44 0.03 . 2 . . . . . . . . 6096 1 213 . 1 1 22 22 VAL HG21 H 1 0.8299 0.03 . 2 . . . . . . . . 6096 1 214 . 1 1 22 22 VAL HG22 H 1 0.8299 0.03 . 2 . . . . . . . . 6096 1 215 . 1 1 22 22 VAL HG23 H 1 0.8299 0.03 . 2 . . . . . . . . 6096 1 216 . 1 1 22 22 VAL CA C 13 67.08 0.3 . 1 . . . . . . . . 6096 1 217 . 1 1 22 22 VAL CB C 13 31.77 0.3 . 1 . . . . . . . . 6096 1 218 . 1 1 22 22 VAL CG1 C 13 21.88 0.3 . 1 . . . . . . . . 6096 1 219 . 1 1 22 22 VAL CG2 C 13 21.88 0.3 . 1 . . . . . . . . 6096 1 220 . 1 1 22 22 VAL N N 15 119.7 0.3 . 1 . . . . . . . . 6096 1 221 . 1 1 23 23 ASP H H 1 8.74 0.03 . 1 . . . . . . . . 6096 1 222 . 1 1 23 23 ASP HA H 1 4.46 0.03 . 1 . . . . . . . . 6096 1 223 . 1 1 23 23 ASP HB2 H 1 3.14 0.03 . 2 . . . . . . . . 6096 1 224 . 1 1 23 23 ASP HB3 H 1 3.015 0.03 . 2 . . . . . . . . 6096 1 225 . 1 1 23 23 ASP CA C 13 57.23 0.3 . 1 . . . . . . . . 6096 1 226 . 1 1 23 23 ASP CB C 13 38.29 0.3 . 1 . . . . . . . . 6096 1 227 . 1 1 23 23 ASP N N 15 123.88 0.3 . 1 . . . . . . . . 6096 1 228 . 1 1 24 24 CYS H H 1 9.062 0.03 . 1 . . . . . . . . 6096 1 229 . 1 1 24 24 CYS HA H 1 4.43 0.03 . 1 . . . . . . . . 6096 1 230 . 1 1 24 24 CYS HB2 H 1 3.352 0.03 . 2 . . . . . . . . 6096 1 231 . 1 1 24 24 CYS HB3 H 1 2.88 0.03 . 2 . . . . . . . . 6096 1 232 . 1 1 24 24 CYS CA C 13 63.79 0.3 . 1 . . . . . . . . 6096 1 233 . 1 1 24 24 CYS CB C 13 27.23 0.3 . 1 . . . . . . . . 6096 1 234 . 1 1 24 24 CYS N N 15 121.9 0.3 . 1 . . . . . . . . 6096 1 235 . 1 1 25 25 ALA H H 1 8.593 0.03 . 1 . . . . . . . . 6096 1 236 . 1 1 25 25 ALA HA H 1 4.097 0.03 . 1 . . . . . . . . 6096 1 237 . 1 1 25 25 ALA HB1 H 1 1.686 0.03 . 1 . . . . . . . . 6096 1 238 . 1 1 25 25 ALA HB2 H 1 1.686 0.03 . 1 . . . . . . . . 6096 1 239 . 1 1 25 25 ALA HB3 H 1 1.686 0.03 . 1 . . . . . . . . 6096 1 240 . 1 1 25 25 ALA CA C 13 55.36 0.3 . 1 . . . . . . . . 6096 1 241 . 1 1 25 25 ALA CB C 13 20.2 0.3 . 1 . . . . . . . . 6096 1 242 . 1 1 25 25 ALA N N 15 123.4 0.3 . 1 . . . . . . . . 6096 1 243 . 1 1 26 26 THR H H 1 8.3937 0.03 . 1 . . . . . . . . 6096 1 244 . 1 1 26 26 THR HA H 1 4.5212 0.03 . 1 . . . . . . . . 6096 1 245 . 1 1 26 26 THR HB H 1 4.5212 0.03 . 1 . . . . . . . . 6096 1 246 . 1 1 26 26 THR HG21 H 1 1.265 0.03 . 1 . . . . . . . . 6096 1 247 . 1 1 26 26 THR HG22 H 1 1.265 0.03 . 1 . . . . . . . . 6096 1 248 . 1 1 26 26 THR HG23 H 1 1.265 0.03 . 1 . . . . . . . . 6096 1 249 . 1 1 26 26 THR CA C 13 68.88 0.3 . 1 . . . . . . . . 6096 1 250 . 1 1 26 26 THR CB C 13 69.81 0.3 . 1 . . . . . . . . 6096 1 251 . 1 1 26 26 THR CG2 C 13 21.53 0.3 . 1 . . . . . . . . 6096 1 252 . 1 1 26 26 THR N N 15 116.44 0.3 . 1 . . . . . . . . 6096 1 253 . 1 1 27 27 GLN H H 1 7.73 0.03 . 1 . . . . . . . . 6096 1 254 . 1 1 27 27 GLN HA H 1 3.97 0.03 . 1 . . . . . . . . 6096 1 255 . 1 1 27 27 GLN HB2 H 1 2.44 0.03 . 2 . . . . . . . . 6096 1 256 . 1 1 27 27 GLN HB3 H 1 2.08 0.03 . 2 . . . . . . . . 6096 1 257 . 1 1 27 27 GLN HG2 H 1 2.54 0.03 . 1 . . . . . . . . 6096 1 258 . 1 1 27 27 GLN HG3 H 1 2.54 0.03 . 1 . . . . . . . . 6096 1 259 . 1 1 27 27 GLN CA C 13 58.8 0.3 . 1 . . . . . . . . 6096 1 260 . 1 1 27 27 GLN CB C 13 28.64 0.3 . 1 . . . . . . . . 6096 1 261 . 1 1 27 27 GLN CG C 13 34.27 0.3 . 1 . . . . . . . . 6096 1 262 . 1 1 27 27 GLN N N 15 121.35 0.3 . 1 . . . . . . . . 6096 1 263 . 1 1 28 28 ALA H H 1 8.444 0.03 . 1 . . . . . . . . 6096 1 264 . 1 1 28 28 ALA HA H 1 3.465 0.03 . 1 . . . . . . . . 6096 1 265 . 1 1 28 28 ALA HB1 H 1 1.76 0.03 . 1 . . . . . . . . 6096 1 266 . 1 1 28 28 ALA HB2 H 1 1.76 0.03 . 1 . . . . . . . . 6096 1 267 . 1 1 28 28 ALA HB3 H 1 1.76 0.03 . 1 . . . . . . . . 6096 1 268 . 1 1 28 28 ALA CA C 13 55.36 0.3 . 1 . . . . . . . . 6096 1 269 . 1 1 28 28 ALA CB C 13 20.67 0.3 . 1 . . . . . . . . 6096 1 270 . 1 1 28 28 ALA N N 15 123.5 0.3 . 1 . . . . . . . . 6096 1 271 . 1 1 29 29 LEU H H 1 8.1967 0.03 . 1 . . . . . . . . 6096 1 272 . 1 1 29 29 LEU HA H 1 4.32 0.03 . 1 . . . . . . . . 6096 1 273 . 1 1 29 29 LEU HB2 H 1 1.68 0.03 . 2 . . . . . . . . 6096 1 274 . 1 1 29 29 LEU HB3 H 1 1.834 0.03 . 2 . . . . . . . . 6096 1 275 . 1 1 29 29 LEU HG H 1 1.9 0.03 . 1 . . . . . . . . 6096 1 276 . 1 1 29 29 LEU HD11 H 1 0.94 0.03 . 1 . . . . . . . . 6096 1 277 . 1 1 29 29 LEU HD12 H 1 0.94 0.03 . 1 . . . . . . . . 6096 1 278 . 1 1 29 29 LEU HD13 H 1 0.94 0.03 . 1 . . . . . . . . 6096 1 279 . 1 1 29 29 LEU HD21 H 1 0.94 0.03 . 1 . . . . . . . . 6096 1 280 . 1 1 29 29 LEU HD22 H 1 0.94 0.03 . 1 . . . . . . . . 6096 1 281 . 1 1 29 29 LEU HD23 H 1 0.94 0.03 . 1 . . . . . . . . 6096 1 282 . 1 1 29 29 LEU CA C 13 57.69 0.3 . 1 . . . . . . . . 6096 1 283 . 1 1 29 29 LEU CB C 13 42.23 0.3 . 1 . . . . . . . . 6096 1 284 . 1 1 29 29 LEU CG C 13 28.79 0.3 . 1 . . . . . . . . 6096 1 285 . 1 1 29 29 LEU CD1 C 13 25.98 0.3 . 1 . . . . . . . . 6096 1 286 . 1 1 29 29 LEU CD2 C 13 25.98 0.3 . 1 . . . . . . . . 6096 1 287 . 1 1 29 29 LEU N N 15 117.76 0.3 . 1 . . . . . . . . 6096 1 288 . 1 1 30 30 GLU H H 1 7.35 0.03 . 1 . . . . . . . . 6096 1 289 . 1 1 30 30 GLU HA H 1 4.16 0.03 . 1 . . . . . . . . 6096 1 290 . 1 1 30 30 GLU HB2 H 1 2.097 0.03 . 2 . . . . . . . . 6096 1 291 . 1 1 30 30 GLU HB3 H 1 2.188 0.03 . 2 . . . . . . . . 6096 1 292 . 1 1 30 30 GLU HG2 H 1 2.675 0.03 . 2 . . . . . . . . 6096 1 293 . 1 1 30 30 GLU HG3 H 1 2.46 0.03 . 2 . . . . . . . . 6096 1 294 . 1 1 30 30 GLU CA C 13 57.7 0.3 . 1 . . . . . . . . 6096 1 295 . 1 1 30 30 GLU CB C 13 28.64 0.3 . 1 . . . . . . . . 6096 1 296 . 1 1 30 30 GLU CG C 13 33.72 0.3 . 1 . . . . . . . . 6096 1 297 . 1 1 30 30 GLU N N 15 117.3 0.3 . 1 . . . . . . . . 6096 1 298 . 1 1 31 31 LYS H H 1 7.27 0.03 . 1 . . . . . . . . 6096 1 299 . 1 1 31 31 LYS HA H 1 3.95 0.03 . 1 . . . . . . . . 6096 1 300 . 1 1 31 31 LYS HB2 H 1 1.087 0.03 . 2 . . . . . . . . 6096 1 301 . 1 1 31 31 LYS HB3 H 1 0.849 0.03 . 2 . . . . . . . . 6096 1 302 . 1 1 31 31 LYS HG2 H 1 1.0849 0.03 . 2 . . . . . . . . 6096 1 303 . 1 1 31 31 LYS HG3 H 1 0.84 0.03 . 2 . . . . . . . . 6096 1 304 . 1 1 31 31 LYS HD2 H 1 1.218 0.03 . 1 . . . . . . . . 6096 1 305 . 1 1 31 31 LYS HD3 H 1 1.218 0.03 . 1 . . . . . . . . 6096 1 306 . 1 1 31 31 LYS HE2 H 1 2.831 0.03 . 1 . . . . . . . . 6096 1 307 . 1 1 31 31 LYS HE3 H 1 2.831 0.03 . 1 . . . . . . . . 6096 1 308 . 1 1 31 31 LYS CA C 13 57.7 0.3 . 1 . . . . . . . . 6096 1 309 . 1 1 31 31 LYS CB C 13 35.2 0.3 . 1 . . . . . . . . 6096 1 310 . 1 1 31 31 LYS CG C 13 25 0.3 . 1 . . . . . . . . 6096 1 311 . 1 1 31 31 LYS CD C 13 29.84 0.3 . 1 . . . . . . . . 6096 1 312 . 1 1 31 31 LYS CE C 13 42.02 0.3 . 1 . . . . . . . . 6096 1 313 . 1 1 31 31 LYS N N 15 120.11 0.3 . 1 . . . . . . . . 6096 1 314 . 1 1 32 32 TYR H H 1 8.172 0.03 . 1 . . . . . . . . 6096 1 315 . 1 1 32 32 TYR HA H 1 4.95 0.03 . 1 . . . . . . . . 6096 1 316 . 1 1 32 32 TYR HB2 H 1 3.16 0.03 . 2 . . . . . . . . 6096 1 317 . 1 1 32 32 TYR HB3 H 1 2.69 0.03 . 2 . . . . . . . . 6096 1 318 . 1 1 32 32 TYR HD1 H 1 7.128 0.03 . 1 . . . . . . . . 6096 1 319 . 1 1 32 32 TYR HD2 H 1 7.128 0.03 . 1 . . . . . . . . 6096 1 320 . 1 1 32 32 TYR HE1 H 1 6.6715 0.03 . 1 . . . . . . . . 6096 1 321 . 1 1 32 32 TYR HE2 H 1 6.6715 0.03 . 1 . . . . . . . . 6096 1 322 . 1 1 32 32 TYR CA C 13 56.75 0.3 . 1 . . . . . . . . 6096 1 323 . 1 1 32 32 TYR CB C 13 42.77 0.3 . 1 . . . . . . . . 6096 1 324 . 1 1 32 32 TYR CD1 C 13 133.4 0.3 . 1 . . . . . . . . 6096 1 325 . 1 1 32 32 TYR CD2 C 13 133.4 0.3 . 1 . . . . . . . . 6096 1 326 . 1 1 32 32 TYR CE1 C 13 117.77 0.3 . 1 . . . . . . . . 6096 1 327 . 1 1 32 32 TYR CE2 C 13 117.77 0.3 . 1 . . . . . . . . 6096 1 328 . 1 1 32 32 TYR N N 15 118 0.3 . 1 . . . . . . . . 6096 1 329 . 1 1 33 33 ASN H H 1 8.486 0.03 . 1 . . . . . . . . 6096 1 330 . 1 1 33 33 ASN HA H 1 4.9 0.03 . 1 . . . . . . . . 6096 1 331 . 1 1 33 33 ASN HB2 H 1 2.92 0.03 . 2 . . . . . . . . 6096 1 332 . 1 1 33 33 ASN HB3 H 1 2.81 0.03 . 2 . . . . . . . . 6096 1 333 . 1 1 33 33 ASN CA C 13 53.1 0.3 . 1 . . . . . . . . 6096 1 334 . 1 1 33 33 ASN CB C 13 39.97 0.3 . 1 . . . . . . . . 6096 1 335 . 1 1 33 33 ASN N N 15 115.959 0.3 . 1 . . . . . . . . 6096 1 336 . 1 1 34 34 ILE H H 1 7.483 0.03 . 1 . . . . . . . . 6096 1 337 . 1 1 34 34 ILE HA H 1 4.42 0.03 . 1 . . . . . . . . 6096 1 338 . 1 1 34 34 ILE HB H 1 2.02 0.03 . 1 . . . . . . . . 6096 1 339 . 1 1 34 34 ILE HG12 H 1 1.67 0.03 . 2 . . . . . . . . 6096 1 340 . 1 1 34 34 ILE HG13 H 1 1.34 0.03 . 2 . . . . . . . . 6096 1 341 . 1 1 34 34 ILE HG21 H 1 1.072 0.03 . 1 . . . . . . . . 6096 1 342 . 1 1 34 34 ILE HG22 H 1 1.072 0.03 . 1 . . . . . . . . 6096 1 343 . 1 1 34 34 ILE HG23 H 1 1.072 0.03 . 1 . . . . . . . . 6096 1 344 . 1 1 34 34 ILE HD11 H 1 0.961 0.03 . 1 . . . . . . . . 6096 1 345 . 1 1 34 34 ILE HD12 H 1 0.961 0.03 . 1 . . . . . . . . 6096 1 346 . 1 1 34 34 ILE HD13 H 1 0.961 0.03 . 1 . . . . . . . . 6096 1 347 . 1 1 34 34 ILE CA C 13 60 0.3 . 1 . . . . . . . . 6096 1 348 . 1 1 34 34 ILE CB C 13 39.42 0.3 . 1 . . . . . . . . 6096 1 349 . 1 1 34 34 ILE CG1 C 13 27.85 0.3 . 2 . . . . . . . . 6096 1 350 . 1 1 34 34 ILE CG2 C 13 18.71 0.3 . 2 . . . . . . . . 6096 1 351 . 1 1 34 34 ILE CD1 C 13 13.78 0.3 . 1 . . . . . . . . 6096 1 352 . 1 1 34 34 ILE N N 15 121.7 0.3 . 1 . . . . . . . . 6096 1 353 . 1 1 35 35 GLU H H 1 9.27 0.03 . 1 . . . . . . . . 6096 1 354 . 1 1 35 35 GLU HA H 1 3.8 0.03 . 1 . . . . . . . . 6096 1 355 . 1 1 35 35 GLU HB2 H 1 2.25 0.03 . 2 . . . . . . . . 6096 1 356 . 1 1 35 35 GLU HB3 H 1 2.09 0.03 . 2 . . . . . . . . 6096 1 357 . 1 1 35 35 GLU HG2 H 1 2.743 0.03 . 2 . . . . . . . . 6096 1 358 . 1 1 35 35 GLU HG3 H 1 2.34 0.03 . 2 . . . . . . . . 6096 1 359 . 1 1 35 35 GLU CA C 13 61.79 0.3 . 1 . . . . . . . . 6096 1 360 . 1 1 35 35 GLU CB C 13 27.72 0.3 . 1 . . . . . . . . 6096 1 361 . 1 1 35 35 GLU CG C 13 35.2 0.3 . 1 . . . . . . . . 6096 1 362 . 1 1 35 35 GLU N N 15 130.88 0.3 . 1 . . . . . . . . 6096 1 363 . 1 1 36 36 LYS H H 1 8.69 0.03 . 1 . . . . . . . . 6096 1 364 . 1 1 36 36 LYS HA H 1 4.155 0.03 . 1 . . . . . . . . 6096 1 365 . 1 1 36 36 LYS HB2 H 1 1.78 0.03 . 2 . . . . . . . . 6096 1 366 . 1 1 36 36 LYS HB3 H 1 1.926 0.03 . 2 . . . . . . . . 6096 1 367 . 1 1 36 36 LYS HG2 H 1 1.444 0.03 . 1 . . . . . . . . 6096 1 368 . 1 1 36 36 LYS HG3 H 1 1.444 0.03 . 1 . . . . . . . . 6096 1 369 . 1 1 36 36 LYS HD2 H 1 1.8 0.03 . 2 . . . . . . . . 6096 1 370 . 1 1 36 36 LYS HD3 H 1 1.7 0.03 . 2 . . . . . . . . 6096 1 371 . 1 1 36 36 LYS HE2 H 1 3.019 0.03 . 1 . . . . . . . . 6096 1 372 . 1 1 36 36 LYS HE3 H 1 3.019 0.03 . 1 . . . . . . . . 6096 1 373 . 1 1 36 36 LYS CA C 13 60.04 0.3 . 1 . . . . . . . . 6096 1 374 . 1 1 36 36 LYS CB C 13 32.39 0.3 . 1 . . . . . . . . 6096 1 375 . 1 1 36 36 LYS CG C 13 25.41 0.3 . 1 . . . . . . . . 6096 1 376 . 1 1 36 36 LYS CD C 13 29.84 0.3 . 1 . . . . . . . . 6096 1 377 . 1 1 36 36 LYS CE C 13 42.57 0.3 . 1 . . . . . . . . 6096 1 378 . 1 1 36 36 LYS N N 15 118.63 0.3 . 1 . . . . . . . . 6096 1 379 . 1 1 37 37 ASP H H 1 7.113 0.03 . 1 . . . . . . . . 6096 1 380 . 1 1 37 37 ASP HA H 1 4.335 0.03 . 1 . . . . . . . . 6096 1 381 . 1 1 37 37 ASP HB2 H 1 2.65 0.03 . 2 . . . . . . . . 6096 1 382 . 1 1 37 37 ASP HB3 H 1 1.959 0.03 . 2 . . . . . . . . 6096 1 383 . 1 1 37 37 ASP CA C 13 56 0.3 . 1 . . . . . . . . 6096 1 384 . 1 1 37 37 ASP CB C 13 38.29 0.3 . 1 . . . . . . . . 6096 1 385 . 1 1 37 37 ASP N N 15 120.38 0.3 . 1 . . . . . . . . 6096 1 386 . 1 1 38 38 ILE H H 1 7.65 0.03 . 1 . . . . . . . . 6096 1 387 . 1 1 38 38 ILE HA H 1 3.507 0.03 . 1 . . . . . . . . 6096 1 388 . 1 1 38 38 ILE HB H 1 1.96 0.03 . 1 . . . . . . . . 6096 1 389 . 1 1 38 38 ILE HG12 H 1 1.649 0.03 . 2 . . . . . . . . 6096 1 390 . 1 1 38 38 ILE HG13 H 1 0.924 0.03 . 2 . . . . . . . . 6096 1 391 . 1 1 38 38 ILE HG21 H 1 0.84 0.03 . 1 . . . . . . . . 6096 1 392 . 1 1 38 38 ILE HG22 H 1 0.84 0.03 . 1 . . . . . . . . 6096 1 393 . 1 1 38 38 ILE HG23 H 1 0.84 0.03 . 1 . . . . . . . . 6096 1 394 . 1 1 38 38 ILE HD11 H 1 0.77 0.03 . 1 . . . . . . . . 6096 1 395 . 1 1 38 38 ILE HD12 H 1 0.77 0.03 . 1 . . . . . . . . 6096 1 396 . 1 1 38 38 ILE HD13 H 1 0.77 0.03 . 1 . . . . . . . . 6096 1 397 . 1 1 38 38 ILE CA C 13 65.92 0.3 . 1 . . . . . . . . 6096 1 398 . 1 1 38 38 ILE CB C 13 38.98 0.3 . 1 . . . . . . . . 6096 1 399 . 1 1 38 38 ILE CG1 C 13 30.45 0.3 . 2 . . . . . . . . 6096 1 400 . 1 1 38 38 ILE CG2 C 13 18.67 0.3 . 2 . . . . . . . . 6096 1 401 . 1 1 38 38 ILE CD1 C 13 14.42 0.3 . 1 . . . . . . . . 6096 1 402 . 1 1 38 38 ILE N N 15 124.32 0.3 . 1 . . . . . . . . 6096 1 403 . 1 1 39 39 ALA H H 1 8.08 0.03 . 1 . . . . . . . . 6096 1 404 . 1 1 39 39 ALA HA H 1 3.973 0.03 . 1 . . . . . . . . 6096 1 405 . 1 1 39 39 ALA HB1 H 1 1.437 0.03 . 1 . . . . . . . . 6096 1 406 . 1 1 39 39 ALA HB2 H 1 1.437 0.03 . 1 . . . . . . . . 6096 1 407 . 1 1 39 39 ALA HB3 H 1 1.437 0.03 . 1 . . . . . . . . 6096 1 408 . 1 1 39 39 ALA CA C 13 55.36 0.3 . 1 . . . . . . . . 6096 1 409 . 1 1 39 39 ALA CB C 13 18.79 0.3 . 1 . . . . . . . . 6096 1 410 . 1 1 39 39 ALA N N 15 119.74 0.3 . 1 . . . . . . . . 6096 1 411 . 1 1 40 40 ALA H H 1 7.6 0.03 . 1 . . . . . . . . 6096 1 412 . 1 1 40 40 ALA HA H 1 4.06 0.03 . 1 . . . . . . . . 6096 1 413 . 1 1 40 40 ALA HB1 H 1 1.529 0.03 . 1 . . . . . . . . 6096 1 414 . 1 1 40 40 ALA HB2 H 1 1.529 0.03 . 1 . . . . . . . . 6096 1 415 . 1 1 40 40 ALA HB3 H 1 1.529 0.03 . 1 . . . . . . . . 6096 1 416 . 1 1 40 40 ALA CA C 13 55.64 0.3 . 1 . . . . . . . . 6096 1 417 . 1 1 40 40 ALA CB C 13 18.79 0.3 . 1 . . . . . . . . 6096 1 418 . 1 1 40 40 ALA N N 15 119.2 0.3 . 1 . . . . . . . . 6096 1 419 . 1 1 41 41 TYR H H 1 7.728 0.03 . 2 . . . . . . . . 6096 1 420 . 1 1 41 41 TYR HA H 1 4.1 0.03 . 1 . . . . . . . . 6096 1 421 . 1 1 41 41 TYR HB2 H 1 3.209 0.03 . 1 . . . . . . . . 6096 1 422 . 1 1 41 41 TYR HB3 H 1 3.209 0.03 . 1 . . . . . . . . 6096 1 423 . 1 1 41 41 TYR HD1 H 1 7.18 0.03 . 1 . . . . . . . . 6096 1 424 . 1 1 41 41 TYR HD2 H 1 7.18 0.03 . 1 . . . . . . . . 6096 1 425 . 1 1 41 41 TYR HE1 H 1 6.988 0.03 . 1 . . . . . . . . 6096 1 426 . 1 1 41 41 TYR HE2 H 1 6.988 0.03 . 1 . . . . . . . . 6096 1 427 . 1 1 41 41 TYR CA C 13 62.35 0.3 . 1 . . . . . . . . 6096 1 428 . 1 1 41 41 TYR CB C 13 39.22 0.3 . 1 . . . . . . . . 6096 1 429 . 1 1 41 41 TYR CD1 C 13 133.4 0.3 . 1 . . . . . . . . 6096 1 430 . 1 1 41 41 TYR CD2 C 13 133.4 0.3 . 1 . . . . . . . . 6096 1 431 . 1 1 41 41 TYR CE1 C 13 118.3 0.3 . 1 . . . . . . . . 6096 1 432 . 1 1 41 41 TYR CE2 C 13 118.3 0.3 . 1 . . . . . . . . 6096 1 433 . 1 1 41 41 TYR N N 15 121.4 0.3 . 1 . . . . . . . . 6096 1 434 . 1 1 42 42 ILE H H 1 7.77 0.03 . 1 . . . . . . . . 6096 1 435 . 1 1 42 42 ILE HA H 1 3.666 0.03 . 1 . . . . . . . . 6096 1 436 . 1 1 42 42 ILE HB H 1 2.012 0.03 . 1 . . . . . . . . 6096 1 437 . 1 1 42 42 ILE HG12 H 1 2.24 0.03 . 2 . . . . . . . . 6096 1 438 . 1 1 42 42 ILE HG13 H 1 0.86 0.03 . 2 . . . . . . . . 6096 1 439 . 1 1 42 42 ILE HG21 H 1 0.785 0.03 . 1 . . . . . . . . 6096 1 440 . 1 1 42 42 ILE HG22 H 1 0.785 0.03 . 1 . . . . . . . . 6096 1 441 . 1 1 42 42 ILE HG23 H 1 0.785 0.03 . 1 . . . . . . . . 6096 1 442 . 1 1 42 42 ILE HD11 H 1 0.86 0.03 . 1 . . . . . . . . 6096 1 443 . 1 1 42 42 ILE HD12 H 1 0.86 0.03 . 1 . . . . . . . . 6096 1 444 . 1 1 42 42 ILE HD13 H 1 0.86 0.03 . 1 . . . . . . . . 6096 1 445 . 1 1 42 42 ILE CA C 13 65.9 0.3 . 1 . . . . . . . . 6096 1 446 . 1 1 42 42 ILE CB C 13 38.39 0.3 . 1 . . . . . . . . 6096 1 447 . 1 1 42 42 ILE CG1 C 13 29.52 0.3 . 2 . . . . . . . . 6096 1 448 . 1 1 42 42 ILE CG2 C 13 19.08 0.3 . 2 . . . . . . . . 6096 1 449 . 1 1 42 42 ILE CD1 C 13 15.54 0.3 . 1 . . . . . . . . 6096 1 450 . 1 1 42 42 ILE N N 15 119.9 0.3 . 1 . . . . . . . . 6096 1 451 . 1 1 43 43 LYS H H 1 8.15 0.03 . 1 . . . . . . . . 6096 1 452 . 1 1 43 43 LYS HA H 1 3.571 0.03 . 1 . . . . . . . . 6096 1 453 . 1 1 43 43 LYS HB2 H 1 1.77 0.03 . 1 . . . . . . . . 6096 1 454 . 1 1 43 43 LYS HB3 H 1 1.77 0.03 . 1 . . . . . . . . 6096 1 455 . 1 1 43 43 LYS HG2 H 1 1.397 0.03 . 2 . . . . . . . . 6096 1 456 . 1 1 43 43 LYS HG3 H 1 1.27 0.03 . 2 . . . . . . . . 6096 1 457 . 1 1 43 43 LYS HD2 H 1 1.7 0.03 . 1 . . . . . . . . 6096 1 458 . 1 1 43 43 LYS HD3 H 1 1.7 0.03 . 1 . . . . . . . . 6096 1 459 . 1 1 43 43 LYS HE2 H 1 3.03 0.03 . 1 . . . . . . . . 6096 1 460 . 1 1 43 43 LYS HE3 H 1 3.03 0.03 . 1 . . . . . . . . 6096 1 461 . 1 1 43 43 LYS CA C 13 60.98 0.3 . 1 . . . . . . . . 6096 1 462 . 1 1 43 43 LYS CB C 13 33.32 0.3 . 1 . . . . . . . . 6096 1 463 . 1 1 43 43 LYS CG C 13 25.49 0.3 . 1 . . . . . . . . 6096 1 464 . 1 1 43 43 LYS CD C 13 30.39 0.3 . 1 . . . . . . . . 6096 1 465 . 1 1 43 43 LYS CE C 13 42.57 0.3 . 1 . . . . . . . . 6096 1 466 . 1 1 43 43 LYS N N 15 119.27 0.3 . 1 . . . . . . . . 6096 1 467 . 1 1 44 44 LYS H H 1 8.145 0.03 . 1 . . . . . . . . 6096 1 468 . 1 1 44 44 LYS HA H 1 4.058 0.03 . 1 . . . . . . . . 6096 1 469 . 1 1 44 44 LYS HB2 H 1 1.912 0.03 . 2 . . . . . . . . 6096 1 470 . 1 1 44 44 LYS HB3 H 1 1.86 0.03 . 2 . . . . . . . . 6096 1 471 . 1 1 44 44 LYS HG2 H 1 1.42 0.03 . 2 . . . . . . . . 6096 1 472 . 1 1 44 44 LYS HG3 H 1 1.56 0.03 . 2 . . . . . . . . 6096 1 473 . 1 1 44 44 LYS HD2 H 1 1.506 0.03 . 2 . . . . . . . . 6096 1 474 . 1 1 44 44 LYS HD3 H 1 1.71 0.03 . 2 . . . . . . . . 6096 1 475 . 1 1 44 44 LYS HE2 H 1 2.96 0.03 . 1 . . . . . . . . 6096 1 476 . 1 1 44 44 LYS HE3 H 1 2.96 0.03 . 1 . . . . . . . . 6096 1 477 . 1 1 44 44 LYS CA C 13 60.08 0.3 . 1 . . . . . . . . 6096 1 478 . 1 1 44 44 LYS CB C 13 32.33 0.3 . 1 . . . . . . . . 6096 1 479 . 1 1 44 44 LYS CG C 13 25.4 0.3 . 1 . . . . . . . . 6096 1 480 . 1 1 44 44 LYS CD C 13 30.39 0.3 . 1 . . . . . . . . 6096 1 481 . 1 1 44 44 LYS CE C 13 42.56 0.3 . 1 . . . . . . . . 6096 1 482 . 1 1 44 44 LYS N N 15 119.27 0.3 . 1 . . . . . . . . 6096 1 483 . 1 1 45 45 GLU H H 1 7.696 0.03 . 1 . . . . . . . . 6096 1 484 . 1 1 45 45 GLU HA H 1 3.823 0.03 . 1 . . . . . . . . 6096 1 485 . 1 1 45 45 GLU HB2 H 1 2.099 0.03 . 2 . . . . . . . . 6096 1 486 . 1 1 45 45 GLU HB3 H 1 1.987 0.03 . 2 . . . . . . . . 6096 1 487 . 1 1 45 45 GLU CA C 13 58.81 0.3 . 1 . . . . . . . . 6096 1 488 . 1 1 45 45 GLU CB C 13 28.64 0.3 . 1 . . . . . . . . 6096 1 489 . 1 1 45 45 GLU CG C 13 33.16 0.3 . 1 . . . . . . . . 6096 1 490 . 1 1 45 45 GLU N N 15 119.7 0.3 . 1 . . . . . . . . 6096 1 491 . 1 1 46 46 PHE H H 1 8.392 0.03 . 1 . . . . . . . . 6096 1 492 . 1 1 46 46 PHE HA H 1 5.792 0.03 . 1 . . . . . . . . 6096 1 493 . 1 1 46 46 PHE HB2 H 1 1.06 0.03 . 2 . . . . . . . . 6096 1 494 . 1 1 46 46 PHE HB3 H 1 2.618 0.03 . 2 . . . . . . . . 6096 1 495 . 1 1 46 46 PHE HD1 H 1 5.782 0.03 . 1 . . . . . . . . 6096 1 496 . 1 1 46 46 PHE HD2 H 1 5.782 0.03 . 1 . . . . . . . . 6096 1 497 . 1 1 46 46 PHE HE1 H 1 6.56 0.03 . 1 . . . . . . . . 6096 1 498 . 1 1 46 46 PHE HE2 H 1 6.56 0.03 . 1 . . . . . . . . 6096 1 499 . 1 1 46 46 PHE HZ H 1 7.13 0.03 . 1 . . . . . . . . 6096 1 500 . 1 1 46 46 PHE CA C 13 63.33 0.3 . 1 . . . . . . . . 6096 1 501 . 1 1 46 46 PHE CB C 13 36.61 0.3 . 1 . . . . . . . . 6096 1 502 . 1 1 46 46 PHE CD1 C 13 130.24 0.3 . 1 . . . . . . . . 6096 1 503 . 1 1 46 46 PHE CD2 C 13 130.24 0.3 . 1 . . . . . . . . 6096 1 504 . 1 1 46 46 PHE CE1 C 13 129.33 0.3 . 1 . . . . . . . . 6096 1 505 . 1 1 46 46 PHE CE2 C 13 129.33 0.3 . 1 . . . . . . . . 6096 1 506 . 1 1 46 46 PHE CZ C 13 130.61 0.3 . 1 . . . . . . . . 6096 1 507 . 1 1 46 46 PHE N N 15 124.32 0.3 . 1 . . . . . . . . 6096 1 508 . 1 1 47 47 ASP H H 1 8.864 0.03 . 1 . . . . . . . . 6096 1 509 . 1 1 47 47 ASP HA H 1 4.32 0.03 . 1 . . . . . . . . 6096 1 510 . 1 1 47 47 ASP HB2 H 1 2.758 0.03 . 2 . . . . . . . . 6096 1 511 . 1 1 47 47 ASP HB3 H 1 3 0.03 . 2 . . . . . . . . 6096 1 512 . 1 1 47 47 ASP CA C 13 57.23 0.3 . 1 . . . . . . . . 6096 1 513 . 1 1 47 47 ASP CB C 13 38.85 0.3 . 1 . . . . . . . . 6096 1 514 . 1 1 47 47 ASP N N 15 120.82 0.3 . 1 . . . . . . . . 6096 1 515 . 1 1 48 48 LYS H H 1 7.457 0.03 . 1 . . . . . . . . 6096 1 516 . 1 1 48 48 LYS HA H 1 4.002 0.03 . 1 . . . . . . . . 6096 1 517 . 1 1 48 48 LYS HB2 H 1 1.8125 0.03 . 1 . . . . . . . . 6096 1 518 . 1 1 48 48 LYS HB3 H 1 1.8125 0.03 . 1 . . . . . . . . 6096 1 519 . 1 1 48 48 LYS HG2 H 1 1.629 0.03 . 1 . . . . . . . . 6096 1 520 . 1 1 48 48 LYS HG3 H 1 1.629 0.03 . 1 . . . . . . . . 6096 1 521 . 1 1 48 48 LYS HD2 H 1 1.32 0.03 . 1 . . . . . . . . 6096 1 522 . 1 1 48 48 LYS HD3 H 1 1.32 0.03 . 1 . . . . . . . . 6096 1 523 . 1 1 48 48 LYS HE2 H 1 2.939 0.03 . 2 . . . . . . . . 6096 1 524 . 1 1 48 48 LYS CA C 13 59.11 0.3 . 1 . . . . . . . . 6096 1 525 . 1 1 48 48 LYS CB C 13 32.86 0.3 . 1 . . . . . . . . 6096 1 526 . 1 1 48 48 LYS CG C 13 25.41 0.3 . 1 . . . . . . . . 6096 1 527 . 1 1 48 48 LYS CD C 13 29.84 0.3 . 1 . . . . . . . . 6096 1 528 . 1 1 48 48 LYS CE C 13 42.57 0.3 . 1 . . . . . . . . 6096 1 529 . 1 1 48 48 LYS N N 15 119.51 0.3 . 1 . . . . . . . . 6096 1 530 . 1 1 49 49 LYS H H 1 7.736 0.03 . 1 . . . . . . . . 6096 1 531 . 1 1 49 49 LYS HA H 1 3.76 0.03 . 1 . . . . . . . . 6096 1 532 . 1 1 49 49 LYS HB2 H 1 1 0.03 . 2 . . . . . . . . 6096 1 533 . 1 1 49 49 LYS HB3 H 1 0.6 0.03 . 2 . . . . . . . . 6096 1 534 . 1 1 49 49 LYS HG2 H 1 0.88 0.03 . 2 . . . . . . . . 6096 1 535 . 1 1 49 49 LYS HG3 H 1 0.3 0.03 . 2 . . . . . . . . 6096 1 536 . 1 1 49 49 LYS HD2 H 1 1.19 0.03 . 2 . . . . . . . . 6096 1 537 . 1 1 49 49 LYS HD3 H 1 1.103 0.03 . 2 . . . . . . . . 6096 1 538 . 1 1 49 49 LYS HE2 H 1 2.639 0.03 . 1 . . . . . . . . 6096 1 539 . 1 1 49 49 LYS HE3 H 1 2.639 0.03 . 1 . . . . . . . . 6096 1 540 . 1 1 49 49 LYS CA C 13 59.18 0.3 . 1 . . . . . . . . 6096 1 541 . 1 1 49 49 LYS CB C 13 34.26 0.3 . 1 . . . . . . . . 6096 1 542 . 1 1 49 49 LYS CG C 13 25.42 0.3 . 1 . . . . . . . . 6096 1 543 . 1 1 49 49 LYS CD C 13 29.7 0.3 . 1 . . . . . . . . 6096 1 544 . 1 1 49 49 LYS CE C 13 42 0.3 . 1 . . . . . . . . 6096 1 545 . 1 1 49 49 LYS N N 15 118.8 0.3 . 1 . . . . . . . . 6096 1 546 . 1 1 50 50 TYR H H 1 8.3 0.03 . 1 . . . . . . . . 6096 1 547 . 1 1 50 50 TYR HA H 1 4.83 0.03 . 1 . . . . . . . . 6096 1 548 . 1 1 50 50 TYR HB2 H 1 3.733 0.03 . 2 . . . . . . . . 6096 1 549 . 1 1 50 50 TYR HB3 H 1 2.61 0.03 . 2 . . . . . . . . 6096 1 550 . 1 1 50 50 TYR HD1 H 1 6.315 0.03 . 1 . . . . . . . . 6096 1 551 . 1 1 50 50 TYR HD2 H 1 6.315 0.03 . 1 . . . . . . . . 6096 1 552 . 1 1 50 50 TYR HE1 H 1 6.09 0.03 . 1 . . . . . . . . 6096 1 553 . 1 1 50 50 TYR HE2 H 1 6.09 0.03 . 1 . . . . . . . . 6096 1 554 . 1 1 50 50 TYR CA C 13 57.7 0.3 . 1 . . . . . . . . 6096 1 555 . 1 1 50 50 TYR CB C 13 39.6 0.3 . 1 . . . . . . . . 6096 1 556 . 1 1 50 50 TYR CD1 C 13 133.03 0.3 . 1 . . . . . . . . 6096 1 557 . 1 1 50 50 TYR CD2 C 13 133.03 0.3 . 1 . . . . . . . . 6096 1 558 . 1 1 50 50 TYR CE1 C 13 117.55 0.3 . 1 . . . . . . . . 6096 1 559 . 1 1 50 50 TYR CE2 C 13 117.55 0.3 . 1 . . . . . . . . 6096 1 560 . 1 1 50 50 TYR N N 15 116.88 0.3 . 1 . . . . . . . . 6096 1 561 . 1 1 51 51 ASN H H 1 7.032 0.03 . 1 . . . . . . . . 6096 1 562 . 1 1 51 51 ASN HA H 1 4.929 0.03 . 1 . . . . . . . . 6096 1 563 . 1 1 51 51 ASN HB2 H 1 3.67 0.03 . 2 . . . . . . . . 6096 1 564 . 1 1 51 51 ASN HB3 H 1 2.891 0.03 . 2 . . . . . . . . 6096 1 565 . 1 1 51 51 ASN CA C 13 55.73 0.3 . 1 . . . . . . . . 6096 1 566 . 1 1 51 51 ASN CB C 13 36.61 0.3 . 1 . . . . . . . . 6096 1 567 . 1 1 51 51 ASN N N 15 114.26 0.3 . 1 . . . . . . . . 6096 1 568 . 1 1 52 52 PRO HA H 1 5.11 0.03 . 1 . . . . . . . . 6096 1 569 . 1 1 52 52 PRO HB2 H 1 2.26 0.03 . 2 . . . . . . . . 6096 1 570 . 1 1 52 52 PRO HB3 H 1 2.09 0.03 . 2 . . . . . . . . 6096 1 571 . 1 1 52 52 PRO HG2 H 1 1.95 0.03 . 2 . . . . . . . . 6096 1 572 . 1 1 52 52 PRO HG3 H 1 2.03 0.03 . 2 . . . . . . . . 6096 1 573 . 1 1 52 52 PRO HD2 H 1 3.639 0.03 . 2 . . . . . . . . 6096 1 574 . 1 1 52 52 PRO HD3 H 1 3.934 0.03 . 2 . . . . . . . . 6096 1 575 . 1 1 52 52 PRO CA C 13 60.7 0.3 . 1 . . . . . . . . 6096 1 576 . 1 1 52 52 PRO CB C 13 32.3 0.3 . 1 . . . . . . . . 6096 1 577 . 1 1 52 52 PRO CG C 13 27.84 0.3 . 1 . . . . . . . . 6096 1 578 . 1 1 52 52 PRO CD C 13 50.98 0.3 . 1 . . . . . . . . 6096 1 579 . 1 1 53 53 THR H H 1 7.79 0.03 . 1 . . . . . . . . 6096 1 580 . 1 1 53 53 THR HA H 1 3.88 0.03 . 1 . . . . . . . . 6096 1 581 . 1 1 53 53 THR HB H 1 3.864 0.03 . 1 . . . . . . . . 6096 1 582 . 1 1 53 53 THR HG21 H 1 0.974 0.03 . 1 . . . . . . . . 6096 1 583 . 1 1 53 53 THR HG22 H 1 0.974 0.03 . 1 . . . . . . . . 6096 1 584 . 1 1 53 53 THR HG23 H 1 0.974 0.03 . 1 . . . . . . . . 6096 1 585 . 1 1 53 53 THR CA C 13 65.7 0.3 . 1 . . . . . . . . 6096 1 586 . 1 1 53 53 THR CB C 13 70.8 0.3 . 1 . . . . . . . . 6096 1 587 . 1 1 53 53 THR CG2 C 13 22.09 0.3 . 1 . . . . . . . . 6096 1 588 . 1 1 53 53 THR N N 15 120.8 0.3 . 1 . . . . . . . . 6096 1 589 . 1 1 54 54 TRP H H 1 9.305 0.03 . 1 . . . . . . . . 6096 1 590 . 1 1 54 54 TRP HA H 1 4.72 0.03 . 1 . . . . . . . . 6096 1 591 . 1 1 54 54 TRP HB2 H 1 2.988 0.03 . 2 . . . . . . . . 6096 1 592 . 1 1 54 54 TRP HB3 H 1 2.911 0.03 . 2 . . . . . . . . 6096 1 593 . 1 1 54 54 TRP HD1 H 1 7.899 0.03 . 1 . . . . . . . . 6096 1 594 . 1 1 54 54 TRP HE1 H 1 9.1337 0.03 . 1 . . . . . . . . 6096 1 595 . 1 1 54 54 TRP HE3 H 1 7.22 0.03 . 1 . . . . . . . . 6096 1 596 . 1 1 54 54 TRP HZ2 H 1 7.451 0.03 . 1 . . . . . . . . 6096 1 597 . 1 1 54 54 TRP HZ3 H 1 6.659 0.03 . 1 . . . . . . . . 6096 1 598 . 1 1 54 54 TRP HH2 H 1 7.042 0.03 . 1 . . . . . . . . 6096 1 599 . 1 1 54 54 TRP CA C 13 57.23 0.3 . 1 . . . . . . . . 6096 1 600 . 1 1 54 54 TRP CB C 13 29.57 0.3 . 1 . . . . . . . . 6096 1 601 . 1 1 54 54 TRP CE3 C 13 121.28 0.3 . 1 . . . . . . . . 6096 1 602 . 1 1 54 54 TRP CZ2 C 13 114.57 0.3 . 1 . . . . . . . . 6096 1 603 . 1 1 54 54 TRP CZ3 C 13 121.1 0.3 . 1 . . . . . . . . 6096 1 604 . 1 1 54 54 TRP CH2 C 13 123.9 0.3 . 1 . . . . . . . . 6096 1 605 . 1 1 54 54 TRP N N 15 129.13 0.3 . 1 . . . . . . . . 6096 1 606 . 1 1 54 54 TRP NE1 N 15 132.07 0.3 . 1 . . . . . . . . 6096 1 607 . 1 1 55 55 HIS H H 1 9.17 0.03 . 1 . . . . . . . . 6096 1 608 . 1 1 55 55 HIS HA H 1 4.69 0.03 . 1 . . . . . . . . 6096 1 609 . 1 1 55 55 HIS HB2 H 1 2.489 0.03 . 2 . . . . . . . . 6096 1 610 . 1 1 55 55 HIS HB3 H 1 1.282 0.03 . 2 . . . . . . . . 6096 1 611 . 1 1 55 55 HIS HD2 H 1 6.784 0.03 . 1 . . . . . . . . 6096 1 612 . 1 1 55 55 HIS HE1 H 1 8.648 0.03 . 1 . . . . . . . . 6096 1 613 . 1 1 55 55 HIS CA C 13 54.25 0.3 . 1 . . . . . . . . 6096 1 614 . 1 1 55 55 HIS CB C 13 31.2 0.3 . 1 . . . . . . . . 6096 1 615 . 1 1 55 55 HIS CD2 C 13 119.98 0.3 . 1 . . . . . . . . 6096 1 616 . 1 1 55 55 HIS CE1 C 13 136.601 0.3 . 1 . . . . . . . . 6096 1 617 . 1 1 55 55 HIS N N 15 120.35 0.3 . 1 . . . . . . . . 6096 1 618 . 1 1 56 56 CYS H H 1 8.712 0.03 . 1 . . . . . . . . 6096 1 619 . 1 1 56 56 CYS HA H 1 5.67 0.03 . 1 . . . . . . . . 6096 1 620 . 1 1 56 56 CYS HB2 H 1 2.755 0.03 . 2 . . . . . . . . 6096 1 621 . 1 1 56 56 CYS HB3 H 1 2.51 0.03 . 2 . . . . . . . . 6096 1 622 . 1 1 56 56 CYS CA C 13 57.23 0.3 . 1 . . . . . . . . 6096 1 623 . 1 1 56 56 CYS CB C 13 30.04 0.3 . 1 . . . . . . . . 6096 1 624 . 1 1 56 56 CYS N N 15 123.88 0.3 . 1 . . . . . . . . 6096 1 625 . 1 1 57 57 ILE H H 1 9.32 0.03 . 1 . . . . . . . . 6096 1 626 . 1 1 57 57 ILE HA H 1 4.36 0.03 . 1 . . . . . . . . 6096 1 627 . 1 1 57 57 ILE HB H 1 1.616 0.03 . 1 . . . . . . . . 6096 1 628 . 1 1 57 57 ILE HG12 H 1 1.36 0.03 . 2 . . . . . . . . 6096 1 629 . 1 1 57 57 ILE HG13 H 1 1.11 0.03 . 2 . . . . . . . . 6096 1 630 . 1 1 57 57 ILE HG21 H 1 0.83 0.03 . 1 . . . . . . . . 6096 1 631 . 1 1 57 57 ILE HG22 H 1 0.83 0.03 . 1 . . . . . . . . 6096 1 632 . 1 1 57 57 ILE HG23 H 1 0.83 0.03 . 1 . . . . . . . . 6096 1 633 . 1 1 57 57 ILE HD11 H 1 0.72 0.03 . 1 . . . . . . . . 6096 1 634 . 1 1 57 57 ILE HD12 H 1 0.72 0.03 . 1 . . . . . . . . 6096 1 635 . 1 1 57 57 ILE HD13 H 1 0.72 0.03 . 1 . . . . . . . . 6096 1 636 . 1 1 57 57 ILE CA C 13 60.98 0.3 . 1 . . . . . . . . 6096 1 637 . 1 1 57 57 ILE CB C 13 41.09 0.3 . 1 . . . . . . . . 6096 1 638 . 1 1 57 57 ILE CG1 C 13 27.84 0.3 . 2 . . . . . . . . 6096 1 639 . 1 1 57 57 ILE CG2 C 13 18.77 0.3 . 2 . . . . . . . . 6096 1 640 . 1 1 57 57 ILE CD1 C 13 13.78 0.3 . 1 . . . . . . . . 6096 1 641 . 1 1 57 57 ILE N N 15 132.2 0.3 . 1 . . . . . . . . 6096 1 642 . 1 1 58 58 VAL H H 1 8.393 0.03 . 1 . . . . . . . . 6096 1 643 . 1 1 58 58 VAL HA H 1 5.02 0.03 . 1 . . . . . . . . 6096 1 644 . 1 1 58 58 VAL HB H 1 1.878 0.03 . 1 . . . . . . . . 6096 1 645 . 1 1 58 58 VAL HG11 H 1 0.882 0.03 . 1 . . . . . . . . 6096 1 646 . 1 1 58 58 VAL HG12 H 1 0.882 0.03 . 1 . . . . . . . . 6096 1 647 . 1 1 58 58 VAL HG13 H 1 0.882 0.03 . 1 . . . . . . . . 6096 1 648 . 1 1 58 58 VAL HG21 H 1 0.882 0.03 . 1 . . . . . . . . 6096 1 649 . 1 1 58 58 VAL HG22 H 1 0.882 0.03 . 1 . . . . . . . . 6096 1 650 . 1 1 58 58 VAL HG23 H 1 0.882 0.03 . 1 . . . . . . . . 6096 1 651 . 1 1 58 58 VAL CA C 13 60.4 0.3 . 1 . . . . . . . . 6096 1 652 . 1 1 58 58 VAL CB C 13 35.06 0.3 . 1 . . . . . . . . 6096 1 653 . 1 1 58 58 VAL CG1 C 13 22.64 0.3 . 1 . . . . . . . . 6096 1 654 . 1 1 58 58 VAL CG2 C 13 22.64 0.3 . 1 . . . . . . . . 6096 1 655 . 1 1 58 58 VAL N N 15 128.4 0.3 . 1 . . . . . . . . 6096 1 656 . 1 1 59 59 GLY H H 1 9.154 0.03 . 1 . . . . . . . . 6096 1 657 . 1 1 59 59 GLY HA2 H 1 4.14 0.03 . 1 . . . . . . . . 6096 1 658 . 1 1 59 59 GLY HA3 H 1 4.14 0.03 . 1 . . . . . . . . 6096 1 659 . 1 1 59 59 GLY CA C 13 46.2 0.3 . 1 . . . . . . . . 6096 1 660 . 1 1 59 59 GLY N N 15 115.25 0.3 . 1 . . . . . . . . 6096 1 661 . 1 1 60 60 ARG H H 1 8.37 0.03 . 1 . . . . . . . . 6096 1 662 . 1 1 60 60 ARG HA H 1 4.59 0.03 . 1 . . . . . . . . 6096 1 663 . 1 1 60 60 ARG HB2 H 1 1.858 0.03 . 1 . . . . . . . . 6096 1 664 . 1 1 60 60 ARG HB3 H 1 1.858 0.03 . 1 . . . . . . . . 6096 1 665 . 1 1 60 60 ARG HG2 H 1 1.65 0.03 . 1 . . . . . . . . 6096 1 666 . 1 1 60 60 ARG HG3 H 1 1.65 0.03 . 1 . . . . . . . . 6096 1 667 . 1 1 60 60 ARG HD2 H 1 3.241 0.03 . 1 . . . . . . . . 6096 1 668 . 1 1 60 60 ARG HD3 H 1 3.241 0.03 . 1 . . . . . . . . 6096 1 669 . 1 1 60 60 ARG CA C 13 56 0.3 . 1 . . . . . . . . 6096 1 670 . 1 1 60 60 ARG CB C 13 32 0.3 . 1 . . . . . . . . 6096 1 671 . 1 1 60 60 ARG CG C 13 27.63 0.3 . 1 . . . . . . . . 6096 1 672 . 1 1 60 60 ARG CD C 13 43.68 0.3 . 1 . . . . . . . . 6096 1 673 . 1 1 60 60 ARG N N 15 122.536 0.3 . 1 . . . . . . . . 6096 1 674 . 1 1 61 61 ASN H H 1 7.97 0.03 . 1 . . . . . . . . 6096 1 675 . 1 1 61 61 ASN HA H 1 4.57 0.03 . 1 . . . . . . . . 6096 1 676 . 1 1 61 61 ASN HB2 H 1 2.805 0.03 . 2 . . . . . . . . 6096 1 677 . 1 1 61 61 ASN HB3 H 1 2.413 0.03 . 2 . . . . . . . . 6096 1 678 . 1 1 61 61 ASN CA C 13 53.6 0.3 . 1 . . . . . . . . 6096 1 679 . 1 1 61 61 ASN CB C 13 39.2 0.3 . 1 . . . . . . . . 6096 1 680 . 1 1 61 61 ASN N N 15 118.6 0.3 . 1 . . . . . . . . 6096 1 681 . 1 1 62 62 PHE H H 1 8.015 0.03 . 1 . . . . . . . . 6096 1 682 . 1 1 62 62 PHE HA H 1 4.67 0.03 . 1 . . . . . . . . 6096 1 683 . 1 1 62 62 PHE HB2 H 1 3.035 0.03 . 2 . . . . . . . . 6096 1 684 . 1 1 62 62 PHE HB3 H 1 2.48 0.03 . 2 . . . . . . . . 6096 1 685 . 1 1 62 62 PHE HD1 H 1 6.93 0.03 . 1 . . . . . . . . 6096 1 686 . 1 1 62 62 PHE HD2 H 1 6.93 0.03 . 1 . . . . . . . . 6096 1 687 . 1 1 62 62 PHE HE1 H 1 7.13 0.03 . 1 . . . . . . . . 6096 1 688 . 1 1 62 62 PHE HE2 H 1 7.13 0.03 . 1 . . . . . . . . 6096 1 689 . 1 1 62 62 PHE HZ H 1 6.56 0.03 . 1 . . . . . . . . 6096 1 690 . 1 1 62 62 PHE CA C 13 57.7 0.3 . 1 . . . . . . . . 6096 1 691 . 1 1 62 62 PHE CB C 13 39.42 0.3 . 1 . . . . . . . . 6096 1 692 . 1 1 62 62 PHE CD1 C 13 131.36 0.3 . 1 . . . . . . . . 6096 1 693 . 1 1 62 62 PHE CD2 C 13 131.36 0.3 . 1 . . . . . . . . 6096 1 694 . 1 1 62 62 PHE N N 15 122.363 0.3 . 1 . . . . . . . . 6096 1 695 . 1 1 63 63 GLY H H 1 8.319 0.03 . 1 . . . . . . . . 6096 1 696 . 1 1 63 63 GLY HA2 H 1 3.92 0.03 . 2 . . . . . . . . 6096 1 697 . 1 1 63 63 GLY HA3 H 1 3.87 0.03 . 2 . . . . . . . . 6096 1 698 . 1 1 63 63 GLY CA C 13 46.45 0.3 . 1 . . . . . . . . 6096 1 699 . 1 1 63 63 GLY N N 15 110.49 0.3 . 1 . . . . . . . . 6096 1 700 . 1 1 64 64 SER H H 1 8.272 0.03 . 1 . . . . . . . . 6096 1 701 . 1 1 64 64 SER HA H 1 4.32 0.03 . 1 . . . . . . . . 6096 1 702 . 1 1 64 64 SER HB2 H 1 3.755 0.03 . 1 . . . . . . . . 6096 1 703 . 1 1 64 64 SER HB3 H 1 3.755 0.03 . 1 . . . . . . . . 6096 1 704 . 1 1 64 64 SER CA C 13 58.8 0.3 . 1 . . . . . . . . 6096 1 705 . 1 1 64 64 SER CB C 13 63.79 0.3 . 1 . . . . . . . . 6096 1 706 . 1 1 64 64 SER N N 15 117.33 0.3 . 1 . . . . . . . . 6096 1 707 . 1 1 65 65 TYR H H 1 7.825 0.03 . 1 . . . . . . . . 6096 1 708 . 1 1 65 65 TYR HA H 1 4.234 0.03 . 1 . . . . . . . . 6096 1 709 . 1 1 65 65 TYR HB2 H 1 2.704 0.03 . 1 . . . . . . . . 6096 1 710 . 1 1 65 65 TYR HB3 H 1 2.704 0.03 . 1 . . . . . . . . 6096 1 711 . 1 1 65 65 TYR HD1 H 1 6.785 0.03 . 1 . . . . . . . . 6096 1 712 . 1 1 65 65 TYR HD2 H 1 6.785 0.03 . 1 . . . . . . . . 6096 1 713 . 1 1 65 65 TYR HE1 H 1 6.543 0.03 . 1 . . . . . . . . 6096 1 714 . 1 1 65 65 TYR HE2 H 1 6.543 0.03 . 1 . . . . . . . . 6096 1 715 . 1 1 65 65 TYR CA C 13 59.11 0.3 . 1 . . . . . . . . 6096 1 716 . 1 1 65 65 TYR CB C 13 38.85 0.3 . 1 . . . . . . . . 6096 1 717 . 1 1 65 65 TYR CD1 C 13 132.66 0.3 . 1 . . . . . . . . 6096 1 718 . 1 1 65 65 TYR CD2 C 13 132.66 0.3 . 1 . . . . . . . . 6096 1 719 . 1 1 65 65 TYR CE1 C 13 117.55 0.3 . 1 . . . . . . . . 6096 1 720 . 1 1 65 65 TYR CE2 C 13 117.55 0.3 . 1 . . . . . . . . 6096 1 721 . 1 1 65 65 TYR N N 15 123.38 0.3 . 1 . . . . . . . . 6096 1 722 . 1 1 66 66 VAL H H 1 7.361 0.03 . 1 . . . . . . . . 6096 1 723 . 1 1 66 66 VAL HA H 1 3.65 0.03 . 1 . . . . . . . . 6096 1 724 . 1 1 66 66 VAL HB H 1 1.703 0.03 . 1 . . . . . . . . 6096 1 725 . 1 1 66 66 VAL HG11 H 1 0.52 0.03 . 1 . . . . . . . . 6096 1 726 . 1 1 66 66 VAL HG12 H 1 0.52 0.03 . 1 . . . . . . . . 6096 1 727 . 1 1 66 66 VAL HG13 H 1 0.52 0.03 . 1 . . . . . . . . 6096 1 728 . 1 1 66 66 VAL HG21 H 1 0.52 0.03 . 1 . . . . . . . . 6096 1 729 . 1 1 66 66 VAL HG22 H 1 0.52 0.03 . 1 . . . . . . . . 6096 1 730 . 1 1 66 66 VAL HG23 H 1 0.52 0.03 . 1 . . . . . . . . 6096 1 731 . 1 1 66 66 VAL CA C 13 62.82 0.3 . 1 . . . . . . . . 6096 1 732 . 1 1 66 66 VAL CB C 13 32.39 0.3 . 1 . . . . . . . . 6096 1 733 . 1 1 66 66 VAL CG1 C 13 21.11 0.3 . 1 . . . . . . . . 6096 1 734 . 1 1 66 66 VAL CG2 C 13 21.11 0.3 . 1 . . . . . . . . 6096 1 735 . 1 1 66 66 VAL N N 15 121.904 0.3 . 1 . . . . . . . . 6096 1 736 . 1 1 67 67 THR H H 1 7.67 0.03 . 1 . . . . . . . . 6096 1 737 . 1 1 67 67 THR HA H 1 4.05 0.03 . 1 . . . . . . . . 6096 1 738 . 1 1 67 67 THR HB H 1 3.96 0.03 . 1 . . . . . . . . 6096 1 739 . 1 1 67 67 THR HG21 H 1 0.86 0.03 . 1 . . . . . . . . 6096 1 740 . 1 1 67 67 THR HG22 H 1 0.86 0.03 . 1 . . . . . . . . 6096 1 741 . 1 1 67 67 THR HG23 H 1 0.86 0.03 . 1 . . . . . . . . 6096 1 742 . 1 1 67 67 THR CA C 13 62.39 0.3 . 1 . . . . . . . . 6096 1 743 . 1 1 67 67 THR CB C 13 70 0.3 . 1 . . . . . . . . 6096 1 744 . 1 1 67 67 THR CG2 C 13 22.09 0.3 . 1 . . . . . . . . 6096 1 745 . 1 1 67 67 THR N N 15 115.6 0.3 . 1 . . . . . . . . 6096 1 746 . 1 1 68 68 HIS H H 1 7.997 0.03 . 1 . . . . . . . . 6096 1 747 . 1 1 68 68 HIS HA H 1 4.53 0.03 . 1 . . . . . . . . 6096 1 748 . 1 1 68 68 HIS HB2 H 1 3.047 0.03 . 2 . . . . . . . . 6096 1 749 . 1 1 68 68 HIS HB3 H 1 2.95 0.03 . 2 . . . . . . . . 6096 1 750 . 1 1 68 68 HIS HD2 H 1 7.12 0.03 . 1 . . . . . . . . 6096 1 751 . 1 1 68 68 HIS HE1 H 1 8.525 0.03 . 1 . . . . . . . . 6096 1 752 . 1 1 68 68 HIS CA C 13 56.29 0.3 . 1 . . . . . . . . 6096 1 753 . 1 1 68 68 HIS CB C 13 28.64 0.3 . 1 . . . . . . . . 6096 1 754 . 1 1 68 68 HIS CD2 C 13 119.9 0.3 . 1 . . . . . . . . 6096 1 755 . 1 1 68 68 HIS CE1 C 13 136.465 0.3 . 1 . . . . . . . . 6096 1 756 . 1 1 68 68 HIS N N 15 119.51 0.3 . 1 . . . . . . . . 6096 1 757 . 1 1 69 69 GLU H H 1 7.849 0.03 . 1 . . . . . . . . 6096 1 758 . 1 1 69 69 GLU HA H 1 4.053 0.03 . 1 . . . . . . . . 6096 1 759 . 1 1 69 69 GLU HB2 H 1 1.83 0.03 . 2 . . . . . . . . 6096 1 760 . 1 1 69 69 GLU HB3 H 1 1.67 0.03 . 2 . . . . . . . . 6096 1 761 . 1 1 69 69 GLU HG2 H 1 2.06 0.03 . 1 . . . . . . . . 6096 1 762 . 1 1 69 69 GLU HG3 H 1 2.06 0.03 . 1 . . . . . . . . 6096 1 763 . 1 1 69 69 GLU CA C 13 56.29 0.3 . 1 . . . . . . . . 6096 1 764 . 1 1 69 69 GLU CB C 13 28.64 0.3 . 1 . . . . . . . . 6096 1 765 . 1 1 69 69 GLU CG C 13 33 0.3 . 1 . . . . . . . . 6096 1 766 . 1 1 69 69 GLU N N 15 120.5 0.3 . 1 . . . . . . . . 6096 1 767 . 1 1 70 70 THR H H 1 7.67 0.03 . 1 . . . . . . . . 6096 1 768 . 1 1 70 70 THR HA H 1 4.371 0.03 . 1 . . . . . . . . 6096 1 769 . 1 1 70 70 THR HB H 1 4.219 0.03 . 1 . . . . . . . . 6096 1 770 . 1 1 70 70 THR HG21 H 1 1.039 0.03 . 1 . . . . . . . . 6096 1 771 . 1 1 70 70 THR HG22 H 1 1.039 0.03 . 1 . . . . . . . . 6096 1 772 . 1 1 70 70 THR HG23 H 1 1.039 0.03 . 1 . . . . . . . . 6096 1 773 . 1 1 70 70 THR CA C 13 62.35 0.3 . 1 . . . . . . . . 6096 1 774 . 1 1 70 70 THR CB C 13 69.82 0.3 . 1 . . . . . . . . 6096 1 775 . 1 1 70 70 THR CG2 C 13 22.64 0.3 . 1 . . . . . . . . 6096 1 776 . 1 1 70 70 THR N N 15 115.6 0.3 . 1 . . . . . . . . 6096 1 777 . 1 1 71 71 ARG H H 1 8.34 0.03 . 1 . . . . . . . . 6096 1 778 . 1 1 71 71 ARG HA H 1 4.53 0.03 . 1 . . . . . . . . 6096 1 779 . 1 1 71 71 ARG HB2 H 1 1.622 0.03 . 1 . . . . . . . . 6096 1 780 . 1 1 71 71 ARG HB3 H 1 1.622 0.03 . 1 . . . . . . . . 6096 1 781 . 1 1 71 71 ARG HG2 H 1 1.49 0.03 . 1 . . . . . . . . 6096 1 782 . 1 1 71 71 ARG HG3 H 1 1.49 0.03 . 1 . . . . . . . . 6096 1 783 . 1 1 71 71 ARG HD2 H 1 3.08 0.03 . 1 . . . . . . . . 6096 1 784 . 1 1 71 71 ARG HD3 H 1 3.08 0.03 . 1 . . . . . . . . 6096 1 785 . 1 1 71 71 ARG CA C 13 55.8 0.3 . 1 . . . . . . . . 6096 1 786 . 1 1 71 71 ARG CB C 13 31.77 0.3 . 1 . . . . . . . . 6096 1 787 . 1 1 71 71 ARG CG C 13 27.21 0.3 . 1 . . . . . . . . 6096 1 788 . 1 1 71 71 ARG CD C 13 43.14 0.3 . 1 . . . . . . . . 6096 1 789 . 1 1 71 71 ARG N N 15 124.23 0.3 . 1 . . . . . . . . 6096 1 790 . 1 1 72 72 HIS H H 1 8.392 0.03 . 1 . . . . . . . . 6096 1 791 . 1 1 72 72 HIS HA H 1 5.341 0.03 . 1 . . . . . . . . 6096 1 792 . 1 1 72 72 HIS HB2 H 1 3.32 0.03 . 2 . . . . . . . . 6096 1 793 . 1 1 72 72 HIS HB3 H 1 3.23 0.03 . 2 . . . . . . . . 6096 1 794 . 1 1 72 72 HIS HD2 H 1 7.344 0.03 . 1 . . . . . . . . 6096 1 795 . 1 1 72 72 HIS HE1 H 1 8.778 0.03 . 1 . . . . . . . . 6096 1 796 . 1 1 72 72 HIS CA C 13 55.36 0.3 . 1 . . . . . . . . 6096 1 797 . 1 1 72 72 HIS CB C 13 30.5 0.3 . 1 . . . . . . . . 6096 1 798 . 1 1 72 72 HIS CD2 C 13 119.9 0.3 . 1 . . . . . . . . 6096 1 799 . 1 1 72 72 HIS CE1 C 13 137.267 0.3 . 1 . . . . . . . . 6096 1 800 . 1 1 72 72 HIS N N 15 116.437 0.3 . 1 . . . . . . . . 6096 1 801 . 1 1 73 73 PHE H H 1 8.122 0.03 . 1 . . . . . . . . 6096 1 802 . 1 1 73 73 PHE HA H 1 6.084 0.03 . 1 . . . . . . . . 6096 1 803 . 1 1 73 73 PHE HB2 H 1 3.3 0.03 . 2 . . . . . . . . 6096 1 804 . 1 1 73 73 PHE HB3 H 1 3.09 0.03 . 2 . . . . . . . . 6096 1 805 . 1 1 73 73 PHE HD1 H 1 6.957 0.03 . 1 . . . . . . . . 6096 1 806 . 1 1 73 73 PHE HD2 H 1 6.957 0.03 . 1 . . . . . . . . 6096 1 807 . 1 1 73 73 PHE HE1 H 1 7.14 0.03 . 1 . . . . . . . . 6096 1 808 . 1 1 73 73 PHE HE2 H 1 7.14 0.03 . 1 . . . . . . . . 6096 1 809 . 1 1 73 73 PHE HZ H 1 6.66 0.03 . 1 . . . . . . . . 6096 1 810 . 1 1 73 73 PHE CA C 13 57.3 0.3 . 1 . . . . . . . . 6096 1 811 . 1 1 73 73 PHE CB C 13 43.89 0.3 . 1 . . . . . . . . 6096 1 812 . 1 1 73 73 PHE CD1 C 13 131.52 0.3 . 1 . . . . . . . . 6096 1 813 . 1 1 73 73 PHE CD2 C 13 131.52 0.3 . 1 . . . . . . . . 6096 1 814 . 1 1 73 73 PHE N N 15 117.8 0.3 . 1 . . . . . . . . 6096 1 815 . 1 1 74 74 ILE H H 1 9.428 0.03 . 1 . . . . . . . . 6096 1 816 . 1 1 74 74 ILE HA H 1 4.615 0.03 . 1 . . . . . . . . 6096 1 817 . 1 1 74 74 ILE HB H 1 2.222 0.03 . 1 . . . . . . . . 6096 1 818 . 1 1 74 74 ILE HG12 H 1 1.733 0.03 . 2 . . . . . . . . 6096 1 819 . 1 1 74 74 ILE HG13 H 1 1.266 0.03 . 2 . . . . . . . . 6096 1 820 . 1 1 74 74 ILE HG21 H 1 1.007 0.03 . 1 . . . . . . . . 6096 1 821 . 1 1 74 74 ILE HG22 H 1 1.007 0.03 . 1 . . . . . . . . 6096 1 822 . 1 1 74 74 ILE HG23 H 1 1.007 0.03 . 1 . . . . . . . . 6096 1 823 . 1 1 74 74 ILE HD11 H 1 0.57 0.03 . 1 . . . . . . . . 6096 1 824 . 1 1 74 74 ILE HD12 H 1 0.57 0.03 . 1 . . . . . . . . 6096 1 825 . 1 1 74 74 ILE HD13 H 1 0.57 0.03 . 1 . . . . . . . . 6096 1 826 . 1 1 74 74 ILE CA C 13 61.6 0.3 . 1 . . . . . . . . 6096 1 827 . 1 1 74 74 ILE CB C 13 40.9 0.3 . 1 . . . . . . . . 6096 1 828 . 1 1 74 74 ILE CG1 C 13 28.4 0.3 . 2 . . . . . . . . 6096 1 829 . 1 1 74 74 ILE CG2 C 13 16.47 0.3 . 2 . . . . . . . . 6096 1 830 . 1 1 74 74 ILE CD1 C 13 14 0.3 . 1 . . . . . . . . 6096 1 831 . 1 1 74 74 ILE N N 15 121.7 0.3 . 1 . . . . . . . . 6096 1 832 . 1 1 75 75 TYR H H 1 9 0.03 . 1 . . . . . . . . 6096 1 833 . 1 1 75 75 TYR HA H 1 6.16 0.03 . 1 . . . . . . . . 6096 1 834 . 1 1 75 75 TYR HB2 H 1 3.16 0.03 . 2 . . . . . . . . 6096 1 835 . 1 1 75 75 TYR HB3 H 1 3.064 0.03 . 2 . . . . . . . . 6096 1 836 . 1 1 75 75 TYR HD1 H 1 7.15 0.03 . 1 . . . . . . . . 6096 1 837 . 1 1 75 75 TYR HD2 H 1 7.15 0.03 . 1 . . . . . . . . 6096 1 838 . 1 1 75 75 TYR HE1 H 1 6.67 0.03 . 1 . . . . . . . . 6096 1 839 . 1 1 75 75 TYR HE2 H 1 6.67 0.03 . 1 . . . . . . . . 6096 1 840 . 1 1 75 75 TYR CA C 13 54.5 0.3 . 1 . . . . . . . . 6096 1 841 . 1 1 75 75 TYR CB C 13 40.8 0.3 . 1 . . . . . . . . 6096 1 842 . 1 1 75 75 TYR CD1 C 13 132.28 0.3 . 1 . . . . . . . . 6096 1 843 . 1 1 75 75 TYR CD2 C 13 132.28 0.3 . 1 . . . . . . . . 6096 1 844 . 1 1 75 75 TYR CE1 C 13 117.93 0.3 . 1 . . . . . . . . 6096 1 845 . 1 1 75 75 TYR CE2 C 13 117.93 0.3 . 1 . . . . . . . . 6096 1 846 . 1 1 75 75 TYR N N 15 130.6 0.3 . 1 . . . . . . . . 6096 1 847 . 1 1 76 76 PHE H H 1 9.6 0.03 . 1 . . . . . . . . 6096 1 848 . 1 1 76 76 PHE HA H 1 5.38 0.03 . 5 . . . . . . . . 6096 1 849 . 1 1 76 76 PHE HB2 H 1 3.013 0.03 . 2 . . . . . . . . 6096 1 850 . 1 1 76 76 PHE HB3 H 1 2.974 0.03 . 2 . . . . . . . . 6096 1 851 . 1 1 76 76 PHE HD1 H 1 7.015 0.03 . 1 . . . . . . . . 6096 1 852 . 1 1 76 76 PHE HD2 H 1 7.015 0.03 . 1 . . . . . . . . 6096 1 853 . 1 1 76 76 PHE HE1 H 1 6.92 0.03 . 1 . . . . . . . . 6096 1 854 . 1 1 76 76 PHE HE2 H 1 6.92 0.03 . 1 . . . . . . . . 6096 1 855 . 1 1 76 76 PHE CA C 13 55.36 0.3 . 1 . . . . . . . . 6096 1 856 . 1 1 76 76 PHE CB C 13 43.3 0.3 . 1 . . . . . . . . 6096 1 857 . 1 1 76 76 PHE CD1 C 13 131.91 0.3 . 1 . . . . . . . . 6096 1 858 . 1 1 76 76 PHE CD2 C 13 131.91 0.3 . 1 . . . . . . . . 6096 1 859 . 1 1 76 76 PHE N N 15 126.51 0.3 . 1 . . . . . . . . 6096 1 860 . 1 1 77 77 TYR H H 1 9.1733 0.03 . 1 . . . . . . . . 6096 1 861 . 1 1 77 77 TYR HA H 1 5.38 0.03 . 1 . . . . . . . . 6096 1 862 . 1 1 77 77 TYR HB2 H 1 3.016 0.03 . 2 . . . . . . . . 6096 1 863 . 1 1 77 77 TYR HB3 H 1 2.77 0.03 . 2 . . . . . . . . 6096 1 864 . 1 1 77 77 TYR HD1 H 1 6.785 0.03 . 1 . . . . . . . . 6096 1 865 . 1 1 77 77 TYR HD2 H 1 6.785 0.03 . 1 . . . . . . . . 6096 1 866 . 1 1 77 77 TYR HE1 H 1 6.63 0.03 . 1 . . . . . . . . 6096 1 867 . 1 1 77 77 TYR HE2 H 1 6.63 0.03 . 1 . . . . . . . . 6096 1 868 . 1 1 77 77 TYR CA C 13 56 0.3 . 1 . . . . . . . . 6096 1 869 . 1 1 77 77 TYR CB C 13 41.65 0.3 . 1 . . . . . . . . 6096 1 870 . 1 1 77 77 TYR CD1 C 13 131.99 0.3 . 1 . . . . . . . . 6096 1 871 . 1 1 77 77 TYR CD2 C 13 131.99 0.3 . 1 . . . . . . . . 6096 1 872 . 1 1 77 77 TYR CE1 C 13 118.4 0.3 . 1 . . . . . . . . 6096 1 873 . 1 1 77 77 TYR CE2 C 13 118.4 0.3 . 1 . . . . . . . . 6096 1 874 . 1 1 77 77 TYR N N 15 120.35 0.3 . 1 . . . . . . . . 6096 1 875 . 1 1 78 78 LEU H H 1 8.63 0.03 . 1 . . . . . . . . 6096 1 876 . 1 1 78 78 LEU HA H 1 4.732 0.03 . 1 . . . . . . . . 6096 1 877 . 1 1 78 78 LEU HB2 H 1 1.4715 0.03 . 2 . . . . . . . . 6096 1 878 . 1 1 78 78 LEU HB3 H 1 1.537 0.03 . 2 . . . . . . . . 6096 1 879 . 1 1 78 78 LEU HG H 1 1.479 0.03 . 1 . . . . . . . . 6096 1 880 . 1 1 78 78 LEU HD11 H 1 0.974 0.03 . 1 . . . . . . . . 6096 1 881 . 1 1 78 78 LEU HD12 H 1 0.974 0.03 . 1 . . . . . . . . 6096 1 882 . 1 1 78 78 LEU HD13 H 1 0.974 0.03 . 1 . . . . . . . . 6096 1 883 . 1 1 78 78 LEU HD21 H 1 0.974 0.03 . 1 . . . . . . . . 6096 1 884 . 1 1 78 78 LEU HD22 H 1 0.974 0.03 . 1 . . . . . . . . 6096 1 885 . 1 1 78 78 LEU HD23 H 1 0.974 0.03 . 1 . . . . . . . . 6096 1 886 . 1 1 78 78 LEU CA C 13 53.95 0.3 . 1 . . . . . . . . 6096 1 887 . 1 1 78 78 LEU CB C 13 43.64 0.3 . 1 . . . . . . . . 6096 1 888 . 1 1 78 78 LEU CG C 13 28 0.3 . 1 . . . . . . . . 6096 1 889 . 1 1 78 78 LEU CD1 C 13 26.67 0.3 . 1 . . . . . . . . 6096 1 890 . 1 1 78 78 LEU CD2 C 13 26.67 0.3 . 1 . . . . . . . . 6096 1 891 . 1 1 78 78 LEU N N 15 123.97 0.3 . 1 . . . . . . . . 6096 1 892 . 1 1 79 79 GLY H H 1 8.9 0.03 . 1 . . . . . . . . 6096 1 893 . 1 1 79 79 GLY HA2 H 1 4.017 0.03 . 2 . . . . . . . . 6096 1 894 . 1 1 79 79 GLY HA3 H 1 3.71 0.03 . 2 . . . . . . . . 6096 1 895 . 1 1 79 79 GLY CA C 13 47.43 0.3 . 1 . . . . . . . . 6096 1 896 . 1 1 79 79 GLY N N 15 116.44 0.3 . 1 . . . . . . . . 6096 1 897 . 1 1 80 80 GLN H H 1 9 0.03 . 1 . . . . . . . . 6096 1 898 . 1 1 80 80 GLN HA H 1 4.458 0.03 . 1 . . . . . . . . 6096 1 899 . 1 1 80 80 GLN HB2 H 1 2.017 0.03 . 2 . . . . . . . . 6096 1 900 . 1 1 80 80 GLN HB3 H 1 2.4 0.03 . 2 . . . . . . . . 6096 1 901 . 1 1 80 80 GLN HG2 H 1 2.43 0.03 . 1 . . . . . . . . 6096 1 902 . 1 1 80 80 GLN HG3 H 1 2.43 0.03 . 1 . . . . . . . . 6096 1 903 . 1 1 80 80 GLN CA C 13 56.2 0.3 . 1 . . . . . . . . 6096 1 904 . 1 1 80 80 GLN CB C 13 29.34 0.3 . 1 . . . . . . . . 6096 1 905 . 1 1 80 80 GLN CG C 13 34.96 0.3 . 1 . . . . . . . . 6096 1 906 . 1 1 80 80 GLN N N 15 126 0.3 . 1 . . . . . . . . 6096 1 907 . 1 1 81 81 VAL H H 1 7.932 0.03 . 1 . . . . . . . . 6096 1 908 . 1 1 81 81 VAL HA H 1 4.02 0.03 . 1 . . . . . . . . 6096 1 909 . 1 1 81 81 VAL HB H 1 2.279 0.03 . 1 . . . . . . . . 6096 1 910 . 1 1 81 81 VAL HG11 H 1 0.82 0.03 . 2 . . . . . . . . 6096 1 911 . 1 1 81 81 VAL HG12 H 1 0.82 0.03 . 2 . . . . . . . . 6096 1 912 . 1 1 81 81 VAL HG13 H 1 0.82 0.03 . 2 . . . . . . . . 6096 1 913 . 1 1 81 81 VAL HG21 H 1 0.986 0.03 . 2 . . . . . . . . 6096 1 914 . 1 1 81 81 VAL HG22 H 1 0.986 0.03 . 2 . . . . . . . . 6096 1 915 . 1 1 81 81 VAL HG23 H 1 0.986 0.03 . 2 . . . . . . . . 6096 1 916 . 1 1 81 81 VAL CA C 13 63.47 0.3 . 1 . . . . . . . . 6096 1 917 . 1 1 81 81 VAL CB C 13 32.88 0.3 . 1 . . . . . . . . 6096 1 918 . 1 1 81 81 VAL CG1 C 13 21.67 0.3 . 1 . . . . . . . . 6096 1 919 . 1 1 81 81 VAL CG2 C 13 21.67 0.3 . 1 . . . . . . . . 6096 1 920 . 1 1 81 81 VAL N N 15 122.8 0.3 . 1 . . . . . . . . 6096 1 921 . 1 1 82 82 ALA H H 1 8.22 0.03 . 1 . . . . . . . . 6096 1 922 . 1 1 82 82 ALA HA H 1 3.96 0.03 . 1 . . . . . . . . 6096 1 923 . 1 1 82 82 ALA HB1 H 1 0.746 0.03 . 1 . . . . . . . . 6096 1 924 . 1 1 82 82 ALA HB2 H 1 0.746 0.03 . 1 . . . . . . . . 6096 1 925 . 1 1 82 82 ALA HB3 H 1 0.746 0.03 . 1 . . . . . . . . 6096 1 926 . 1 1 82 82 ALA CA C 13 50.9 0.3 . 1 . . . . . . . . 6096 1 927 . 1 1 82 82 ALA CB C 13 20.44 0.3 . 1 . . . . . . . . 6096 1 928 . 1 1 82 82 ALA N N 15 131 0.3 . 1 . . . . . . . . 6096 1 929 . 1 1 83 83 ILE H H 1 8.91 0.03 . 1 . . . . . . . . 6096 1 930 . 1 1 83 83 ILE HA H 1 4.46 0.03 . 1 . . . . . . . . 6096 1 931 . 1 1 83 83 ILE HB H 1 0.3 0.03 . 1 . . . . . . . . 6096 1 932 . 1 1 83 83 ILE HG12 H 1 1.146 0.03 . 2 . . . . . . . . 6096 1 933 . 1 1 83 83 ILE HG13 H 1 0.646 0.03 . 2 . . . . . . . . 6096 1 934 . 1 1 83 83 ILE HG21 H 1 0.4 0.03 . 1 . . . . . . . . 6096 1 935 . 1 1 83 83 ILE HG22 H 1 0.4 0.03 . 1 . . . . . . . . 6096 1 936 . 1 1 83 83 ILE HG23 H 1 0.4 0.03 . 1 . . . . . . . . 6096 1 937 . 1 1 83 83 ILE HD11 H 1 0.38 0.03 . 1 . . . . . . . . 6096 1 938 . 1 1 83 83 ILE HD12 H 1 0.38 0.03 . 1 . . . . . . . . 6096 1 939 . 1 1 83 83 ILE HD13 H 1 0.38 0.03 . 1 . . . . . . . . 6096 1 940 . 1 1 83 83 ILE CA C 13 61.2 0.3 . 1 . . . . . . . . 6096 1 941 . 1 1 83 83 ILE CB C 13 39.97 0.3 . 1 . . . . . . . . 6096 1 942 . 1 1 83 83 ILE CG1 C 13 28.2 0.3 . 2 . . . . . . . . 6096 1 943 . 1 1 83 83 ILE CG2 C 13 19.27 0.3 . 2 . . . . . . . . 6096 1 944 . 1 1 83 83 ILE CD1 C 13 14.79 0.3 . 1 . . . . . . . . 6096 1 945 . 1 1 83 83 ILE N N 15 123.385 0.3 . 1 . . . . . . . . 6096 1 946 . 1 1 84 84 LEU H H 1 8.756 0.03 . 1 . . . . . . . . 6096 1 947 . 1 1 84 84 LEU HA H 1 5.478 0.03 . 1 . . . . . . . . 6096 1 948 . 1 1 84 84 LEU HB2 H 1 1.137 0.03 . 2 . . . . . . . . 6096 1 949 . 1 1 84 84 LEU HB3 H 1 1.203 0.03 . 2 . . . . . . . . 6096 1 950 . 1 1 84 84 LEU HG H 1 1.49 0.03 . 1 . . . . . . . . 6096 1 951 . 1 1 84 84 LEU HD11 H 1 0.46 0.03 . 2 . . . . . . . . 6096 1 952 . 1 1 84 84 LEU HD12 H 1 0.46 0.03 . 2 . . . . . . . . 6096 1 953 . 1 1 84 84 LEU HD13 H 1 0.46 0.03 . 2 . . . . . . . . 6096 1 954 . 1 1 84 84 LEU HD21 H 1 0.686 0.03 . 1 . . . . . . . . 6096 1 955 . 1 1 84 84 LEU HD22 H 1 0.686 0.03 . 1 . . . . . . . . 6096 1 956 . 1 1 84 84 LEU HD23 H 1 0.686 0.03 . 1 . . . . . . . . 6096 1 957 . 1 1 84 84 LEU CA C 13 53.7 0.3 . 1 . . . . . . . . 6096 1 958 . 1 1 84 84 LEU CB C 13 45.19 0.3 . 1 . . . . . . . . 6096 1 959 . 1 1 84 84 LEU CG C 13 28.4 0.3 . 1 . . . . . . . . 6096 1 960 . 1 1 84 84 LEU CD1 C 13 26.35 0.3 . 2 . . . . . . . . 6096 1 961 . 1 1 84 84 LEU CD2 C 13 23.18 0.3 . 2 . . . . . . . . 6096 1 962 . 1 1 84 84 LEU N N 15 128.8 0.3 . 1 . . . . . . . . 6096 1 963 . 1 1 85 85 LEU H H 1 8.88 0.03 . 1 . . . . . . . . 6096 1 964 . 1 1 85 85 LEU HA H 1 5.652 0.03 . 1 . . . . . . . . 6096 1 965 . 1 1 85 85 LEU HB2 H 1 2.023 0.03 . 2 . . . . . . . . 6096 1 966 . 1 1 85 85 LEU HB3 H 1 1.205 0.03 . 2 . . . . . . . . 6096 1 967 . 1 1 85 85 LEU HG H 1 1.425 0.03 . 1 . . . . . . . . 6096 1 968 . 1 1 85 85 LEU HD11 H 1 0.686 0.03 . 1 . . . . . . . . 6096 1 969 . 1 1 85 85 LEU HD12 H 1 0.686 0.03 . 1 . . . . . . . . 6096 1 970 . 1 1 85 85 LEU HD13 H 1 0.686 0.03 . 1 . . . . . . . . 6096 1 971 . 1 1 85 85 LEU HD21 H 1 0.686 0.03 . 1 . . . . . . . . 6096 1 972 . 1 1 85 85 LEU HD22 H 1 0.686 0.03 . 1 . . . . . . . . 6096 1 973 . 1 1 85 85 LEU HD23 H 1 0.686 0.03 . 1 . . . . . . . . 6096 1 974 . 1 1 85 85 LEU CA C 13 53.8 0.3 . 1 . . . . . . . . 6096 1 975 . 1 1 85 85 LEU CB C 13 47 0.3 . 1 . . . . . . . . 6096 1 976 . 1 1 85 85 LEU CG C 13 27.4 0.3 . 1 . . . . . . . . 6096 1 977 . 1 1 85 85 LEU CD1 C 13 23.18 0.3 . 1 . . . . . . . . 6096 1 978 . 1 1 85 85 LEU CD2 C 13 23.18 0.3 . 1 . . . . . . . . 6096 1 979 . 1 1 85 85 LEU N N 15 131.7 0.3 . 1 . . . . . . . . 6096 1 980 . 1 1 86 86 PHE H H 1 9.243 0.03 . 1 . . . . . . . . 6096 1 981 . 1 1 86 86 PHE HA H 1 5.94 0.03 . 1 . . . . . . . . 6096 1 982 . 1 1 86 86 PHE HB2 H 1 3.32 0.03 . 2 . . . . . . . . 6096 1 983 . 1 1 86 86 PHE HB3 H 1 3.16 0.03 . 2 . . . . . . . . 6096 1 984 . 1 1 86 86 PHE HD1 H 1 6.88 0.03 . 1 . . . . . . . . 6096 1 985 . 1 1 86 86 PHE HD2 H 1 6.88 0.03 . 1 . . . . . . . . 6096 1 986 . 1 1 86 86 PHE HE1 H 1 6.94 0.03 . 1 . . . . . . . . 6096 1 987 . 1 1 86 86 PHE HE2 H 1 6.94 0.03 . 1 . . . . . . . . 6096 1 988 . 1 1 86 86 PHE HZ H 1 7.03 0.03 . 1 . . . . . . . . 6096 1 989 . 1 1 86 86 PHE CA C 13 56.9 0.3 . 1 . . . . . . . . 6096 1 990 . 1 1 86 86 PHE CB C 13 42.7 0.3 . 1 . . . . . . . . 6096 1 991 . 1 1 86 86 PHE CD1 C 13 132.29 0.3 . 1 . . . . . . . . 6096 1 992 . 1 1 86 86 PHE CD2 C 13 132.29 0.3 . 1 . . . . . . . . 6096 1 993 . 1 1 86 86 PHE N N 15 122.5 0.3 . 1 . . . . . . . . 6096 1 994 . 1 1 87 87 LYS H H 1 8.244 0.03 . 1 . . . . . . . . 6096 1 995 . 1 1 87 87 LYS HA H 1 4.293 0.03 . 1 . . . . . . . . 6096 1 996 . 1 1 87 87 LYS HB2 H 1 0.847 0.03 . 2 . . . . . . . . 6096 1 997 . 1 1 87 87 LYS HG2 H 1 0.435 0.03 . 2 . . . . . . . . 6096 1 998 . 1 1 87 87 LYS HG3 H 1 0.84 0.03 . 2 . . . . . . . . 6096 1 999 . 1 1 87 87 LYS HD2 H 1 0.9416 0.03 . 2 . . . . . . . . 6096 1 1000 . 1 1 87 87 LYS HD3 H 1 0.809 0.03 . 2 . . . . . . . . 6096 1 1001 . 1 1 87 87 LYS HE2 H 1 2.6 0.03 . 1 . . . . . . . . 6096 1 1002 . 1 1 87 87 LYS HE3 H 1 2.6 0.03 . 1 . . . . . . . . 6096 1 1003 . 1 1 87 87 LYS CA C 13 55.2 0.3 . 1 . . . . . . . . 6096 1 1004 . 1 1 87 87 LYS CB C 13 34.7 0.3 . 1 . . . . . . . . 6096 1 1005 . 1 1 87 87 LYS CG C 13 25 0.3 . 1 . . . . . . . . 6096 1 1006 . 1 1 87 87 LYS CD C 13 29.77 0.3 . 1 . . . . . . . . 6096 1 1007 . 1 1 87 87 LYS CE C 13 42.8 0.3 . 1 . . . . . . . . 6096 1 1008 . 1 1 87 87 LYS N N 15 124.7 0.3 . 1 . . . . . . . . 6096 1 1009 . 1 1 88 88 SER H H 1 8.94 0.03 . 1 . . . . . . . . 6096 1 1010 . 1 1 88 88 SER HA H 1 4.71 0.03 . 1 . . . . . . . . 6096 1 1011 . 1 1 88 88 SER HB2 H 1 3.94 0.03 . 1 . . . . . . . . 6096 1 1012 . 1 1 88 88 SER HB3 H 1 3.94 0.03 . 1 . . . . . . . . 6096 1 1013 . 1 1 88 88 SER CA C 13 58.8 0.3 . 1 . . . . . . . . 6096 1 1014 . 1 1 88 88 SER CB C 13 64.8 0.3 . 1 . . . . . . . . 6096 1 1015 . 1 1 88 88 SER N N 15 124.69 0.3 . 1 . . . . . . . . 6096 1 1016 . 1 1 89 89 GLY H H 1 8.244 0.03 . 1 . . . . . . . . 6096 1 1017 . 1 1 89 89 GLY HA2 H 1 3.9 0.03 . 1 . . . . . . . . 6096 1 1018 . 1 1 89 89 GLY HA3 H 1 3.9 0.03 . 1 . . . . . . . . 6096 1 1019 . 1 1 89 89 GLY CA C 13 45.38 0.3 . 1 . . . . . . . . 6096 1 1020 . 1 1 89 89 GLY N N 15 117.3 0.3 . 1 . . . . . . . . 6096 1 stop_ save_