data_7260 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7260 _Entry.Title ; Solution NMR structure of the YjcQ protein from Bacillus subtilis. Northeast Structural Genomics target SR346. (CASP Target) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-08-10 _Entry.Accession_date 2006-08-17 _Entry.Last_release_date 2007-02-01 _Entry.Original_release_date 2007-02-01 _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 P. Rossi . . . 7260 2 J. Cort . R. . 7260 3 C. Ho . K. . 7260 4 H. Janjua . . . 7260 5 K. Cunningham . . . 7260 6 L.-C. Ma . . . 7260 7 R. Xiao . . . 7260 8 J. Liu . . . 7260 9 M. Baran . . . 7260 10 G. Swapna . V.T. . 7260 11 T. Acton . B. . 7260 12 B. Rost . . . 7260 13 M. Kennedy . A. . 7260 14 G. Montelione . T. . 7260 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7260 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 368 7260 '15N chemical shifts' 89 7260 '1H chemical shifts' 567 7260 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 . . 2007-02-01 2006-08-10 original author . 7260 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2HGC 'BMRB Entry Tracking System' 7260 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7260 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution NMR structure of the YjcQ protein from Bacillus subtilis. Northeast Structural Genomics target SR346. (CASP Target) ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 P. Rossi . . . 7260 1 2 J. Cort . R. . 7260 1 3 C. Ho . K. . 7260 1 4 H. Janjua . . . 7260 1 5 K. Cunningham . . . 7260 1 6 L.-C. Ma . . . 7260 1 7 R. Xiao . . . 7260 1 8 J. Liu . . . 7260 1 9 M. Baran . . . 7260 1 10 G. Swapna . V.T. . 7260 1 11 T. Acton . B. . 7260 1 12 B. Rost . . . 7260 1 13 M. Kennedy . A. . 7260 1 14 G. Montelione . T. . 7260 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID AutoStructure 7260 1 NESG 7260 1 'NMR structure' 7260 1 'Northeast Structural Genomics Consortium' 7260 1 'Protein Structure Initiative' 7260 1 PSI-2 7260 1 SR346 7260 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_YjcQ_protein _Assembly.Sf_category assembly _Assembly.Sf_framecode system_YjcQ_protein _Assembly.Entry_ID 7260 _Assembly.ID 1 _Assembly.Name 'YjcQ protein' _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 'not present' _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 7260 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 'YjcQ protein' 1 $YjcQ_protein . . . native . . . . . 7260 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2HGC . . . . . . 7260 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'YjcQ protein' abbreviation 7260 1 'YjcQ protein' system 7260 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YjcQ_protein _Entity.Sf_category entity _Entity.Sf_framecode YjcQ_protein _Entity.Entry_ID 7260 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'YjcQ protein' _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 ; MNKDKLRYAILKEIFEGNTP LSENDIGVTEDQFDDAVNFL KREGYIIGVHYSDDRPHLYK LGPELTEKGENYLKENGTWS KAYKTIKEIKDWIKLEHHHH HH ; _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 PDB 2HGC . "Solution Nmr Structure Of The Yjcq Protein From Bacillus Subtilis. Northeast Structural Genomics Target Sr346" . . . . . 100.00 102 100.00 100.00 3.12e-67 . . . . 7260 1 2 no DBJ BAM50120 . "hypothetical protein BEST7613_1189 [Bacillus subtilis BEST7613]" . . . . . 92.16 94 100.00 100.00 7.54e-61 . . . . 7260 1 3 no DBJ BAM57388 . "hypothetical protein BEST7003_1187 [Bacillus subtilis BEST7003]" . . . . . 92.16 94 100.00 100.00 7.54e-61 . . . . 7260 1 4 no EMBL CAB13052 . "conserved hypothetical protein [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 92.16 94 100.00 100.00 7.54e-61 . . . . 7260 1 5 no EMBL CEI56338 . "YjcQ protein [Bacillus subtilis]" . . . . . 92.16 94 100.00 100.00 7.54e-61 . . . . 7260 1 6 no EMBL CEJ76761 . "YjcQ protein [Bacillus sp.]" . . . . . 92.16 94 100.00 100.00 7.54e-61 . . . . 7260 1 7 no GB AFQ57114 . "YjcQ [Bacillus subtilis QB928]" . . . . . 92.16 99 100.00 100.00 6.97e-61 . . . . 7260 1 8 no GB AGG60550 . "YjcQ [Bacillus subtilis subsp. subtilis 6051-HGW]" . . . . . 92.16 94 100.00 100.00 7.54e-61 . . . . 7260 1 9 no GB AHA77184 . "Uncharacterized protein yjcQ [Bacillus subtilis PY79]" . . . . . 92.16 94 100.00 100.00 7.54e-61 . . . . 7260 1 10 no GB AIC39588 . "hypothetical protein BSUA_01302 [Bacillus subtilis subsp. subtilis str. JH642 substr. AG174]" . . . . . 92.16 94 100.00 100.00 7.54e-61 . . . . 7260 1 11 no GB AIC43820 . "yjcQ [Bacillus subtilis subsp. subtilis str. AG1839]" . . . . . 92.16 94 100.00 100.00 7.54e-61 . . . . 7260 1 12 no REF NP_389077 . "hypothetical protein BSU11950 [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 92.16 94 100.00 100.00 7.54e-61 . . . . 7260 1 13 no REF WP_003245536 . "hypothetical protein [Bacillus subtilis]" . . . . . 92.16 94 100.00 100.00 7.54e-61 . . . . 7260 1 14 no REF WP_014906298 . "hypothetical protein [Bacillus subtilis]" . . . . . 92.16 99 100.00 100.00 6.97e-61 . . . . 7260 1 15 no REF WP_024572461 . "hypothetical protein [Bacillus subtilis]" . . . . . 92.16 94 98.94 98.94 7.12e-60 . . . . 7260 1 16 no REF WP_026699368 . "hypothetical protein [Bacillus licheniformis]" . . . . . 92.16 94 98.94 100.00 3.51e-60 . . . . 7260 1 17 no SP O31639 . "RecName: Full=Uncharacterized protein YjcQ [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 92.16 94 100.00 100.00 7.54e-61 . . . . 7260 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'YjcQ protein' abbreviation 7260 1 'YjcQ protein' common 7260 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 . 7260 1 2 . ASN . 7260 1 3 . LYS . 7260 1 4 . ASP . 7260 1 5 . LYS . 7260 1 6 . LEU . 7260 1 7 . ARG . 7260 1 8 . TYR . 7260 1 9 . ALA . 7260 1 10 . ILE . 7260 1 11 . LEU . 7260 1 12 . LYS . 7260 1 13 . GLU . 7260 1 14 . ILE . 7260 1 15 . PHE . 7260 1 16 . GLU . 7260 1 17 . GLY . 7260 1 18 . ASN . 7260 1 19 . THR . 7260 1 20 . PRO . 7260 1 21 . LEU . 7260 1 22 . SER . 7260 1 23 . GLU . 7260 1 24 . ASN . 7260 1 25 . ASP . 7260 1 26 . ILE . 7260 1 27 . GLY . 7260 1 28 . VAL . 7260 1 29 . THR . 7260 1 30 . GLU . 7260 1 31 . ASP . 7260 1 32 . GLN . 7260 1 33 . PHE . 7260 1 34 . ASP . 7260 1 35 . ASP . 7260 1 36 . ALA . 7260 1 37 . VAL . 7260 1 38 . ASN . 7260 1 39 . PHE . 7260 1 40 . LEU . 7260 1 41 . LYS . 7260 1 42 . ARG . 7260 1 43 . GLU . 7260 1 44 . GLY . 7260 1 45 . TYR . 7260 1 46 . ILE . 7260 1 47 . ILE . 7260 1 48 . GLY . 7260 1 49 . VAL . 7260 1 50 . HIS . 7260 1 51 . TYR . 7260 1 52 . SER . 7260 1 53 . ASP . 7260 1 54 . ASP . 7260 1 55 . ARG . 7260 1 56 . PRO . 7260 1 57 . HIS . 7260 1 58 . LEU . 7260 1 59 . TYR . 7260 1 60 . LYS . 7260 1 61 . LEU . 7260 1 62 . GLY . 7260 1 63 . PRO . 7260 1 64 . GLU . 7260 1 65 . LEU . 7260 1 66 . THR . 7260 1 67 . GLU . 7260 1 68 . LYS . 7260 1 69 . GLY . 7260 1 70 . GLU . 7260 1 71 . ASN . 7260 1 72 . TYR . 7260 1 73 . LEU . 7260 1 74 . LYS . 7260 1 75 . GLU . 7260 1 76 . ASN . 7260 1 77 . GLY . 7260 1 78 . THR . 7260 1 79 . TRP . 7260 1 80 . SER . 7260 1 81 . LYS . 7260 1 82 . ALA . 7260 1 83 . TYR . 7260 1 84 . LYS . 7260 1 85 . THR . 7260 1 86 . ILE . 7260 1 87 . LYS . 7260 1 88 . GLU . 7260 1 89 . ILE . 7260 1 90 . LYS . 7260 1 91 . ASP . 7260 1 92 . TRP . 7260 1 93 . ILE . 7260 1 94 . LYS . 7260 1 95 . LEU . 7260 1 96 . GLU . 7260 1 97 . HIS . 7260 1 98 . HIS . 7260 1 99 . HIS . 7260 1 100 . HIS . 7260 1 101 . HIS . 7260 1 102 . HIS . 7260 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 7260 1 . ASN 2 2 7260 1 . LYS 3 3 7260 1 . ASP 4 4 7260 1 . LYS 5 5 7260 1 . LEU 6 6 7260 1 . ARG 7 7 7260 1 . TYR 8 8 7260 1 . ALA 9 9 7260 1 . ILE 10 10 7260 1 . LEU 11 11 7260 1 . LYS 12 12 7260 1 . GLU 13 13 7260 1 . ILE 14 14 7260 1 . PHE 15 15 7260 1 . GLU 16 16 7260 1 . GLY 17 17 7260 1 . ASN 18 18 7260 1 . THR 19 19 7260 1 . PRO 20 20 7260 1 . LEU 21 21 7260 1 . SER 22 22 7260 1 . GLU 23 23 7260 1 . ASN 24 24 7260 1 . ASP 25 25 7260 1 . ILE 26 26 7260 1 . GLY 27 27 7260 1 . VAL 28 28 7260 1 . THR 29 29 7260 1 . GLU 30 30 7260 1 . ASP 31 31 7260 1 . GLN 32 32 7260 1 . PHE 33 33 7260 1 . ASP 34 34 7260 1 . ASP 35 35 7260 1 . ALA 36 36 7260 1 . VAL 37 37 7260 1 . ASN 38 38 7260 1 . PHE 39 39 7260 1 . LEU 40 40 7260 1 . LYS 41 41 7260 1 . ARG 42 42 7260 1 . GLU 43 43 7260 1 . GLY 44 44 7260 1 . TYR 45 45 7260 1 . ILE 46 46 7260 1 . ILE 47 47 7260 1 . GLY 48 48 7260 1 . VAL 49 49 7260 1 . HIS 50 50 7260 1 . TYR 51 51 7260 1 . SER 52 52 7260 1 . ASP 53 53 7260 1 . ASP 54 54 7260 1 . ARG 55 55 7260 1 . PRO 56 56 7260 1 . HIS 57 57 7260 1 . LEU 58 58 7260 1 . TYR 59 59 7260 1 . LYS 60 60 7260 1 . LEU 61 61 7260 1 . GLY 62 62 7260 1 . PRO 63 63 7260 1 . GLU 64 64 7260 1 . LEU 65 65 7260 1 . THR 66 66 7260 1 . GLU 67 67 7260 1 . LYS 68 68 7260 1 . GLY 69 69 7260 1 . GLU 70 70 7260 1 . ASN 71 71 7260 1 . TYR 72 72 7260 1 . LEU 73 73 7260 1 . LYS 74 74 7260 1 . GLU 75 75 7260 1 . ASN 76 76 7260 1 . GLY 77 77 7260 1 . THR 78 78 7260 1 . TRP 79 79 7260 1 . SER 80 80 7260 1 . LYS 81 81 7260 1 . ALA 82 82 7260 1 . TYR 83 83 7260 1 . LYS 84 84 7260 1 . THR 85 85 7260 1 . ILE 86 86 7260 1 . LYS 87 87 7260 1 . GLU 88 88 7260 1 . ILE 89 89 7260 1 . LYS 90 90 7260 1 . ASP 91 91 7260 1 . TRP 92 92 7260 1 . ILE 93 93 7260 1 . LYS 94 94 7260 1 . LEU 95 95 7260 1 . GLU 96 96 7260 1 . HIS 97 97 7260 1 . HIS 98 98 7260 1 . HIS 99 99 7260 1 . HIS 100 100 7260 1 . HIS 101 101 7260 1 . HIS 102 102 7260 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 7260 _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 $YjcQ_protein . 1423 . . 'Bacillus subtilis' 'Bacillus subtilis' . . Eubacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 7260 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 7260 _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 $YjcQ_protein . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 7260 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7260 _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 'YjcQ protein' '[U-13C; U-15N]' . . 1 $YjcQ_protein . . 0.85 . . mM . . . . 7260 1 2 CaCl2 . . . . . . . 5 . . mM . . . . 7260 1 3 NaCl . . . . . . . 100 . . mM . . . . 7260 1 4 NH4OAc . . . . . . . 20 . . mM . . . . 7260 1 5 DTT . . . . . . . 10 . . mM . . . . 7260 1 6 NaN3 . . . . . . . 0.02 . . % . . . . 7260 1 7 D2O . . . . . . . 5 . . % . . . . 7260 1 8 H2O . . . . . . . 95 . . % . . . . 7260 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7260 _Sample.ID 2 _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 'YjcQ protein' '[U-5% 13C; U-15N]' . . 1 $YjcQ_protein . . 0.77 . . mM . . . . 7260 2 2 CaCl2 . . . . . . . 5 . . mM . . . . 7260 2 3 NaCl . . . . . . . 100 . . mM . . . . 7260 2 4 NH4OAc . . . . . . . 20 . . mM . . . . 7260 2 5 DTT . . . . . . . 10 . . mM . . . . 7260 2 6 NaN3 . . . . . . . 0.02 . . % . . . . 7260 2 7 D2O . . . . . . . 5 . . % . . . . 7260 2 8 H2O . . . . . . . 95 . . % . . . . 7260 2 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 7260 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 7260 1 pH 5.5 . pH 7260 1 pressure 1 . atm 7260 1 temperature 293 . K 7260 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 7260 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details 'Varian Inc.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7260 1 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 7260 _Software.ID 2 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details 'Bruker Biospin' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7260 2 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 7260 _Software.ID 3 _Software.Name DYANA _Software.Version 1.2 _Software.Details Gunthert loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7260 3 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 7260 _Software.ID 4 _Software.Name X-PLOR _Software.Version 2.11.2 _Software.Details Clore loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7260 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 7260 _Software.ID 5 _Software.Name NMRPipe _Software.Version 2005 _Software.Details Delaglio loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7260 5 stop_ save_ save_sparky _Software.Sf_category software _Software.Sf_framecode sparky _Software.Entry_ID 7260 _Software.ID 6 _Software.Name SPARKY _Software.Version 3.11 _Software.Details 'Goddard & Kneller' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7260 6 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 7260 _Software.ID 7 _Software.Name AutoAssign _Software.Version 2.2.1 _Software.Details 'Zimmerman, Moseley, Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7260 7 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 7260 _Software.ID 8 _Software.Name AutoStruct _Software.Version 2.1.1 _Software.Details 'Huang, Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7260 8 stop_ save_ save_Hyper _Software.Sf_category software _Software.Sf_framecode Hyper _Software.Entry_ID 7260 _Software.ID 9 _Software.Name HYPER _Software.Version 2.1 _Software.Details 'Tejero, Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7260 9 stop_ save_ save_PDBstat _Software.Sf_category software _Software.Sf_framecode PDBstat _Software.Entry_ID 7260 _Software.ID 10 _Software.Name PDBStat _Software.Version 4.1 _Software.Details 'Tejero, Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7260 10 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 7260 _Software.ID 11 _Software.Name PSVS _Software.Version 1.3 _Software.Details 'Bhattacharya, Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7260 11 stop_ save_ save_Procheck_NMR _Software.Sf_category software _Software.Sf_framecode Procheck_NMR _Software.Entry_ID 7260 _Software.ID 12 _Software.Name 'Procheck NMR' _Software.Version 3.51 _Software.Details 'Laskowski, MacArthur' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7260 12 stop_ save_ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID 7260 _Software.ID 13 _Software.Name MolProbity _Software.Version 3.01 _Software.Details 'Lovell, Richardson et. al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7260 13 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 7260 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 7260 _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 Varian INOVA . 750 . . . 7260 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 7260 _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 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7260 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7260 1 3 HcCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7260 1 4 HcCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7260 1 5 CccoNH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7260 1 6 3D-HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7260 1 7 HNcoCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7260 1 8 HBHAcoNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7260 1 9 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7260 1 10 '13C HSQC noct Stereospecific VL Me assign.' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7260 1 11 Het-NOE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7260 1 12 T1/T1rho . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7260 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 7260 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated 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 7260 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated 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 7260 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HcCH-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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 7260 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HcCH-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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 7260 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CccoNH-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 7260 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 3D-HNCACB _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 7260 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNcoCACB _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 7260 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HBHAcoNH _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 7260 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNCO _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 7260 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '13C HSQC noct Stereospecific VL Me assign.' _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_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 7260 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name Het-NOE _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_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 7260 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name T1/T1rho _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 7260 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 external cylindrical parallel . . . . . . 7260 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 external cylindrical parallel . . . . . . 7260 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 external cylindrical parallel . . . . . . 7260 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 7260 _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 . 7260 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASN HD21 H 1 7.649 0.02 . 2 . . . . . . . . 7260 1 2 . 1 1 2 2 ASN HD22 H 1 7.336 0.02 . 2 . . . . . . . . 7260 1 3 . 1 1 2 2 ASN ND2 N 15 113.404 0.2 . 1 . . . . . . . . 7260 1 4 . 1 1 4 4 ASP HB2 H 1 2.46 0.02 . 2 . . . . . . . . 7260 1 5 . 1 1 4 4 ASP HB3 H 1 2.68 0.02 . 2 . . . . . . . . 7260 1 6 . 1 1 4 4 ASP HA H 1 3.656 0.02 . 1 . . . . . . . . 7260 1 7 . 1 1 4 4 ASP CB C 13 44.65 0.2 . 1 . . . . . . . . 7260 1 8 . 1 1 6 6 LEU HA H 1 4.033 0.02 . 1 . . . . . . . . 7260 1 9 . 1 1 6 6 LEU HB2 H 1 1.864 0.02 . 2 . . . . . . . . 7260 1 10 . 1 1 6 6 LEU HB3 H 1 1.397 0.02 . 2 . . . . . . . . 7260 1 11 . 1 1 6 6 LEU HG H 1 1.383 0.02 . 1 . . . . . . . . 7260 1 12 . 1 1 6 6 LEU HD11 H 1 0.972 0.02 . 1 . . . . . . . . 7260 1 13 . 1 1 6 6 LEU HD12 H 1 0.972 0.02 . 1 . . . . . . . . 7260 1 14 . 1 1 6 6 LEU HD13 H 1 0.972 0.02 . 1 . . . . . . . . 7260 1 15 . 1 1 6 6 LEU HD21 H 1 0.873 0.02 . 1 . . . . . . . . 7260 1 16 . 1 1 6 6 LEU HD22 H 1 0.873 0.02 . 1 . . . . . . . . 7260 1 17 . 1 1 6 6 LEU HD23 H 1 0.873 0.02 . 1 . . . . . . . . 7260 1 18 . 1 1 6 6 LEU C C 13 177.500 0.2 . 1 . . . . . . . . 7260 1 19 . 1 1 6 6 LEU CA C 13 58.351 0.2 . 1 . . . . . . . . 7260 1 20 . 1 1 6 6 LEU CB C 13 41.157 0.2 . 1 . . . . . . . . 7260 1 21 . 1 1 6 6 LEU CG C 13 27.294 0.2 . 1 . . . . . . . . 7260 1 22 . 1 1 6 6 LEU CD1 C 13 24.236 0.2 . 1 . . . . . . . . 7260 1 23 . 1 1 6 6 LEU CD2 C 13 27.140 0.2 . 1 . . . . . . . . 7260 1 24 . 1 1 7 7 ARG H H 1 8.060 0.02 . 1 . . . . . . . . 7260 1 25 . 1 1 7 7 ARG HA H 1 3.650 0.02 . 1 . . . . . . . . 7260 1 26 . 1 1 7 7 ARG HB2 H 1 1.917 0.02 . 2 . . . . . . . . 7260 1 27 . 1 1 7 7 ARG HB3 H 1 1.719 0.02 . 2 . . . . . . . . 7260 1 28 . 1 1 7 7 ARG HE H 1 6.647 0.02 . 1 . . . . . . . . 7260 1 29 . 1 1 7 7 ARG C C 13 177.056 0.2 . 1 . . . . . . . . 7260 1 30 . 1 1 7 7 ARG CA C 13 60.688 0.2 . 1 . . . . . . . . 7260 1 31 . 1 1 7 7 ARG CB C 13 30.318 0.2 . 1 . . . . . . . . 7260 1 32 . 1 1 7 7 ARG N N 15 116.516 0.2 . 1 . . . . . . . . 7260 1 33 . 1 1 7 7 ARG NE N 15 81.970 0.2 . 1 . . . . . . . . 7260 1 34 . 1 1 8 8 TYR H H 1 7.967 0.02 . 1 . . . . . . . . 7260 1 35 . 1 1 8 8 TYR HA H 1 3.955 0.02 . 1 . . . . . . . . 7260 1 36 . 1 1 8 8 TYR HB2 H 1 3.492 0.02 . 1 . . . . . . . . 7260 1 37 . 1 1 8 8 TYR HB3 H 1 3.492 0.02 . 1 . . . . . . . . 7260 1 38 . 1 1 8 8 TYR CA C 13 62.79 0.2 . 1 . . . . . . . . 7260 1 39 . 1 1 8 8 TYR CB C 13 39.05 0.2 . 1 . . . . . . . . 7260 1 40 . 1 1 8 8 TYR HD1 H 1 7.072 0.02 . 1 . . . . . . . . 7260 1 41 . 1 1 8 8 TYR HD2 H 1 7.072 0.02 . 1 . . . . . . . . 7260 1 42 . 1 1 8 8 TYR HE1 H 1 6.672 0.02 . 1 . . . . . . . . 7260 1 43 . 1 1 8 8 TYR HE2 H 1 6.672 0.02 . 1 . . . . . . . . 7260 1 44 . 1 1 8 8 TYR C C 13 175.657 0.2 . 1 . . . . . . . . 7260 1 45 . 1 1 8 8 TYR CD1 C 13 132.8 0.2 . 1 . . . . . . . . 7260 1 46 . 1 1 8 8 TYR CD2 C 13 132.8 0.2 . 1 . . . . . . . . 7260 1 47 . 1 1 8 8 TYR CE1 C 13 118.8 0.2 . 1 . . . . . . . . 7260 1 48 . 1 1 8 8 TYR CE2 C 13 118.8 0.2 . 1 . . . . . . . . 7260 1 49 . 1 1 8 8 TYR N N 15 116.988 0.2 . 1 . . . . . . . . 7260 1 50 . 1 1 9 9 ALA H H 1 8.702 0.02 . 1 . . . . . . . . 7260 1 51 . 1 1 9 9 ALA HA H 1 4.227 0.02 . 1 . . . . . . . . 7260 1 52 . 1 1 9 9 ALA HB1 H 1 1.605 0.02 . 1 . . . . . . . . 7260 1 53 . 1 1 9 9 ALA HB2 H 1 1.605 0.02 . 1 . . . . . . . . 7260 1 54 . 1 1 9 9 ALA HB3 H 1 1.605 0.02 . 1 . . . . . . . . 7260 1 55 . 1 1 9 9 ALA C C 13 179.591 0.2 . 1 . . . . . . . . 7260 1 56 . 1 1 9 9 ALA CA C 13 55.095 0.2 . 1 . . . . . . . . 7260 1 57 . 1 1 9 9 ALA CB C 13 18.375 0.2 . 1 . . . . . . . . 7260 1 58 . 1 1 9 9 ALA N N 15 120.186 0.2 . 1 . . . . . . . . 7260 1 59 . 1 1 10 10 ILE H H 1 7.931 0.02 . 1 . . . . . . . . 7260 1 60 . 1 1 10 10 ILE HA H 1 3.309 0.02 . 1 . . . . . . . . 7260 1 61 . 1 1 10 10 ILE HB H 1 1.564 0.02 . 1 . . . . . . . . 7260 1 62 . 1 1 10 10 ILE HG12 H 1 1.775 0.02 . 2 . . . . . . . . 7260 1 63 . 1 1 10 10 ILE HG13 H 1 0.662 0.02 . 2 . . . . . . . . 7260 1 64 . 1 1 10 10 ILE HG21 H 1 0.518 0.02 . 1 . . . . . . . . 7260 1 65 . 1 1 10 10 ILE HG22 H 1 0.518 0.02 . 1 . . . . . . . . 7260 1 66 . 1 1 10 10 ILE HG23 H 1 0.518 0.02 . 1 . . . . . . . . 7260 1 67 . 1 1 10 10 ILE HD11 H 1 0.421 0.02 . 1 . . . . . . . . 7260 1 68 . 1 1 10 10 ILE HD12 H 1 0.421 0.02 . 1 . . . . . . . . 7260 1 69 . 1 1 10 10 ILE HD13 H 1 0.421 0.02 . 1 . . . . . . . . 7260 1 70 . 1 1 10 10 ILE C C 13 176.968 0.2 . 1 . . . . . . . . 7260 1 71 . 1 1 10 10 ILE CA C 13 66.181 0.2 . 1 . . . . . . . . 7260 1 72 . 1 1 10 10 ILE CB C 13 38.230 0.2 . 1 . . . . . . . . 7260 1 73 . 1 1 10 10 ILE CG1 C 13 29.956 0.2 . 1 . . . . . . . . 7260 1 74 . 1 1 10 10 ILE CG2 C 13 17.433 0.2 . 1 . . . . . . . . 7260 1 75 . 1 1 10 10 ILE CD1 C 13 15.073 0.2 . 1 . . . . . . . . 7260 1 76 . 1 1 10 10 ILE N N 15 115.865 0.2 . 1 . . . . . . . . 7260 1 77 . 1 1 11 11 LEU H H 1 7.591 0.02 . 1 . . . . . . . . 7260 1 78 . 1 1 11 11 LEU HA H 1 3.758 0.02 . 1 . . . . . . . . 7260 1 79 . 1 1 11 11 LEU HB2 H 1 1.891 0.02 . 2 . . . . . . . . 7260 1 80 . 1 1 11 11 LEU HB3 H 1 1.368 0.02 . 2 . . . . . . . . 7260 1 81 . 1 1 11 11 LEU HG H 1 1.673 0.02 . 1 . . . . . . . . 7260 1 82 . 1 1 11 11 LEU HD21 H 1 0.744 0.02 . 1 . . . . . . . . 7260 1 83 . 1 1 11 11 LEU HD22 H 1 0.744 0.02 . 1 . . . . . . . . 7260 1 84 . 1 1 11 11 LEU HD23 H 1 0.744 0.02 . 1 . . . . . . . . 7260 1 85 . 1 1 11 11 LEU HD11 H 1 0.653 0.02 . 1 . . . . . . . . 7260 1 86 . 1 1 11 11 LEU HD12 H 1 0.653 0.02 . 1 . . . . . . . . 7260 1 87 . 1 1 11 11 LEU HD13 H 1 0.653 0.02 . 1 . . . . . . . . 7260 1 88 . 1 1 11 11 LEU C C 13 178.066 0.2 . 1 . . . . . . . . 7260 1 89 . 1 1 11 11 LEU CA C 13 58.124 0.2 . 1 . . . . . . . . 7260 1 90 . 1 1 11 11 LEU CB C 13 42.337 0.2 . 1 . . . . . . . . 7260 1 91 . 1 1 11 11 LEU CG C 13 25.957 0.2 . 1 . . . . . . . . 7260 1 92 . 1 1 11 11 LEU CD2 C 13 26.066 0.2 . 1 . . . . . . . . 7260 1 93 . 1 1 11 11 LEU CD1 C 13 26.739 0.2 . 1 . . . . . . . . 7260 1 94 . 1 1 11 11 LEU N N 15 117.792 0.2 . 1 . . . . . . . . 7260 1 95 . 1 1 12 12 LYS H H 1 8.819 0.02 . 1 . . . . . . . . 7260 1 96 . 1 1 12 12 LYS HA H 1 3.709 0.02 . 1 . . . . . . . . 7260 1 97 . 1 1 12 12 LYS HB2 H 1 1.982 0.02 . 2 . . . . . . . . 7260 1 98 . 1 1 12 12 LYS HB3 H 1 1.276 0.02 . 2 . . . . . . . . 7260 1 99 . 1 1 12 12 LYS HE2 H 1 2.924 0.02 . 2 . . . . . . . . 7260 1 100 . 1 1 12 12 LYS HE3 H 1 2.918 0.02 . 2 . . . . . . . . 7260 1 101 . 1 1 12 12 LYS C C 13 178.393 0.2 . 1 . . . . . . . . 7260 1 102 . 1 1 12 12 LYS CA C 13 59.952 0.2 . 1 . . . . . . . . 7260 1 103 . 1 1 12 12 LYS CB C 13 32.399 0.2 . 1 . . . . . . . . 7260 1 104 . 1 1 12 12 LYS CE C 13 42.610 0.2 . 1 . . . . . . . . 7260 1 105 . 1 1 12 12 LYS N N 15 120.225 0.2 . 1 . . . . . . . . 7260 1 106 . 1 1 13 13 GLU H H 1 8.364 0.02 . 1 . . . . . . . . 7260 1 107 . 1 1 13 13 GLU HA H 1 4.147 0.02 . 1 . . . . . . . . 7260 1 108 . 1 1 13 13 GLU HB2 H 1 2.217 0.02 . 2 . . . . . . . . 7260 1 109 . 1 1 13 13 GLU HB3 H 1 2.011 0.02 . 2 . . . . . . . . 7260 1 110 . 1 1 13 13 GLU C C 13 179.803 0.2 . 1 . . . . . . . . 7260 1 111 . 1 1 13 13 GLU CA C 13 58.886 0.2 . 1 . . . . . . . . 7260 1 112 . 1 1 13 13 GLU CB C 13 29.419 0.2 . 1 . . . . . . . . 7260 1 113 . 1 1 13 13 GLU CG C 13 35.030 0.2 . 1 . . . . . . . . 7260 1 114 . 1 1 13 13 GLU N N 15 116.451 0.2 . 1 . . . . . . . . 7260 1 115 . 1 1 14 14 ILE H H 1 8.148 0.02 . 1 . . . . . . . . 7260 1 116 . 1 1 14 14 ILE HA H 1 3.456 0.02 . 1 . . . . . . . . 7260 1 117 . 1 1 14 14 ILE HB H 1 1.865 0.02 . 1 . . . . . . . . 7260 1 118 . 1 1 14 14 ILE HG12 H 1 1.949 0.02 . 2 . . . . . . . . 7260 1 119 . 1 1 14 14 ILE HG13 H 1 0.587 0.02 . 2 . . . . . . . . 7260 1 120 . 1 1 14 14 ILE HG21 H 1 0.703 0.02 . 1 . . . . . . . . 7260 1 121 . 1 1 14 14 ILE HG22 H 1 0.703 0.02 . 1 . . . . . . . . 7260 1 122 . 1 1 14 14 ILE HG23 H 1 0.703 0.02 . 1 . . . . . . . . 7260 1 123 . 1 1 14 14 ILE HD11 H 1 0.711 0.02 . 1 . . . . . . . . 7260 1 124 . 1 1 14 14 ILE HD12 H 1 0.711 0.02 . 1 . . . . . . . . 7260 1 125 . 1 1 14 14 ILE HD13 H 1 0.711 0.02 . 1 . . . . . . . . 7260 1 126 . 1 1 14 14 ILE C C 13 180.068 0.2 . 1 . . . . . . . . 7260 1 127 . 1 1 14 14 ILE CA C 13 66.127 0.2 . 1 . . . . . . . . 7260 1 128 . 1 1 14 14 ILE CB C 13 37.939 0.2 . 1 . . . . . . . . 7260 1 129 . 1 1 14 14 ILE CG1 C 13 28.301 0.2 . 1 . . . . . . . . 7260 1 130 . 1 1 14 14 ILE CG2 C 13 17.525 0.2 . 1 . . . . . . . . 7260 1 131 . 1 1 14 14 ILE CD1 C 13 15.358 0.2 . 1 . . . . . . . . 7260 1 132 . 1 1 14 14 ILE N N 15 118.142 0.2 . 1 . . . . . . . . 7260 1 133 . 1 1 15 15 PHE H H 1 8.844 0.02 . 1 . . . . . . . . 7260 1 134 . 1 1 15 15 PHE HA H 1 4.288 0.02 . 1 . . . . . . . . 7260 1 135 . 1 1 15 15 PHE HB2 H 1 3.293 0.02 . 1 . . . . . . . . 7260 1 136 . 1 1 15 15 PHE HB3 H 1 3.293 0.02 . 1 . . . . . . . . 7260 1 137 . 1 1 15 15 PHE HD1 H 1 7.239 0.02 . 2 . . . . . . . . 7260 1 138 . 1 1 15 15 PHE HD2 H 1 7.235 0.02 . 2 . . . . . . . . 7260 1 139 . 1 1 15 15 PHE HE1 H 1 7.292 0.02 . 2 . . . . . . . . 7260 1 140 . 1 1 15 15 PHE HE2 H 1 7.290 0.02 . 2 . . . . . . . . 7260 1 141 . 1 1 15 15 PHE HZ H 1 7.203 0.02 . 1 . . . . . . . . 7260 1 142 . 1 1 15 15 PHE C C 13 177.675 0.2 . 1 . . . . . . . . 7260 1 143 . 1 1 15 15 PHE CA C 13 61.119 0.2 . 1 . . . . . . . . 7260 1 144 . 1 1 15 15 PHE CB C 13 39.588 0.2 . 1 . . . . . . . . 7260 1 145 . 1 1 15 15 PHE CD1 C 13 131.953 0.2 . 3 . . . . . . . . 7260 1 146 . 1 1 15 15 PHE CD2 C 13 131.955 0.2 . 3 . . . . . . . . 7260 1 147 . 1 1 15 15 PHE CE1 C 13 131.326 0.2 . 3 . . . . . . . . 7260 1 148 . 1 1 15 15 PHE CE2 C 13 131.320 0.2 . 3 . . . . . . . . 7260 1 149 . 1 1 15 15 PHE CZ C 13 129.879 0.2 . 1 . . . . . . . . 7260 1 150 . 1 1 15 15 PHE N N 15 124.080 0.2 . 1 . . . . . . . . 7260 1 151 . 1 1 16 16 GLU H H 1 8.200 0.02 . 1 . . . . . . . . 7260 1 152 . 1 1 16 16 GLU HA H 1 3.989 0.02 . 1 . . . . . . . . 7260 1 153 . 1 1 16 16 GLU HB2 H 1 2.244 0.02 . 2 . . . . . . . . 7260 1 154 . 1 1 16 16 GLU HB3 H 1 1.988 0.02 . 2 . . . . . . . . 7260 1 155 . 1 1 16 16 GLU HG2 H 1 2.723 0.02 . 2 . . . . . . . . 7260 1 156 . 1 1 16 16 GLU HG3 H 1 2.392 0.02 . 2 . . . . . . . . 7260 1 157 . 1 1 16 16 GLU C C 13 176.421 0.2 . 1 . . . . . . . . 7260 1 158 . 1 1 16 16 GLU CA C 13 56.713 0.2 . 1 . . . . . . . . 7260 1 159 . 1 1 16 16 GLU CB C 13 29.634 0.2 . 1 . . . . . . . . 7260 1 160 . 1 1 16 16 GLU CG C 13 36.606 0.2 . 1 . . . . . . . . 7260 1 161 . 1 1 16 16 GLU N N 15 115.138 0.2 . 1 . . . . . . . . 7260 1 162 . 1 1 17 17 GLY H H 1 7.994 0.02 . 1 . . . . . . . . 7260 1 163 . 1 1 17 17 GLY HA2 H 1 4.133 0.02 . 2 . . . . . . . . 7260 1 164 . 1 1 17 17 GLY HA3 H 1 3.928 0.02 . 2 . . . . . . . . 7260 1 165 . 1 1 17 17 GLY C C 13 175.289 0.2 . 1 . . . . . . . . 7260 1 166 . 1 1 17 17 GLY CA C 13 45.783 0.2 . 1 . . . . . . . . 7260 1 167 . 1 1 17 17 GLY N N 15 108.286 0.2 . 1 . . . . . . . . 7260 1 168 . 1 1 18 18 ASN H H 1 8.568 0.02 . 1 . . . . . . . . 7260 1 169 . 1 1 18 18 ASN HA H 1 5.008 0.02 . 1 . . . . . . . . 7260 1 170 . 1 1 18 18 ASN HB2 H 1 3.072 0.02 . 2 . . . . . . . . 7260 1 171 . 1 1 18 18 ASN HB3 H 1 2.745 0.02 . 2 . . . . . . . . 7260 1 172 . 1 1 18 18 ASN HD21 H 1 8.442 0.02 . 2 . . . . . . . . 7260 1 173 . 1 1 18 18 ASN HD22 H 1 6.650 0.02 . 2 . . . . . . . . 7260 1 174 . 1 1 18 18 ASN C C 13 173.300 0.2 . 1 . . . . . . . . 7260 1 175 . 1 1 18 18 ASN CA C 13 52.001 0.2 . 1 . . . . . . . . 7260 1 176 . 1 1 18 18 ASN CB C 13 36.901 0.2 . 1 . . . . . . . . 7260 1 177 . 1 1 18 18 ASN N N 15 122.387 0.2 . 1 . . . . . . . . 7260 1 178 . 1 1 18 18 ASN ND2 N 15 113.825 0.2 . 1 . . . . . . . . 7260 1 179 . 1 1 19 19 THR H H 1 7.346 0.02 . 1 . . . . . . . . 7260 1 180 . 1 1 19 19 THR HA H 1 4.112 0.02 . 1 . . . . . . . . 7260 1 181 . 1 1 19 19 THR HB H 1 4.306 0.02 . 1 . . . . . . . . 7260 1 182 . 1 1 19 19 THR HG1 H 1 5.60 0.02 . 1 . . . . . . . . 7260 1 183 . 1 1 19 19 THR HG21 H 1 0.977 0.02 . 1 . . . . . . . . 7260 1 184 . 1 1 19 19 THR HG22 H 1 0.977 0.02 . 1 . . . . . . . . 7260 1 185 . 1 1 19 19 THR HG23 H 1 0.977 0.02 . 1 . . . . . . . . 7260 1 186 . 1 1 19 19 THR CA C 13 58.451 0.2 . 1 . . . . . . . . 7260 1 187 . 1 1 19 19 THR CB C 13 67.222 0.2 . 1 . . . . . . . . 7260 1 188 . 1 1 19 19 THR CG2 C 13 23.327 0.2 . 1 . . . . . . . . 7260 1 189 . 1 1 19 19 THR N N 15 106.872 0.2 . 1 . . . . . . . . 7260 1 190 . 1 1 20 20 PRO HA H 1 4.422 0.02 . 1 . . . . . . . . 7260 1 191 . 1 1 20 20 PRO HB2 H 1 2.534 0.02 . 2 . . . . . . . . 7260 1 192 . 1 1 20 20 PRO HB3 H 1 2.292 0.02 . 2 . . . . . . . . 7260 1 193 . 1 1 20 20 PRO HG2 H 1 1.921 0.02 . 2 . . . . . . . . 7260 1 194 . 1 1 20 20 PRO HG3 H 1 1.909 0.02 . 2 . . . . . . . . 7260 1 195 . 1 1 20 20 PRO HD2 H 1 3.330 0.02 . 2 . . . . . . . . 7260 1 196 . 1 1 20 20 PRO HD3 H 1 3.753 0.02 . 2 . . . . . . . . 7260 1 197 . 1 1 20 20 PRO C C 13 174.174 0.2 . 1 . . . . . . . . 7260 1 198 . 1 1 20 20 PRO CA C 13 62.198 0.2 . 1 . . . . . . . . 7260 1 199 . 1 1 20 20 PRO CB C 13 36.335 0.2 . 1 . . . . . . . . 7260 1 200 . 1 1 20 20 PRO CG C 13 24.348 0.2 . 1 . . . . . . . . 7260 1 201 . 1 1 20 20 PRO CD C 13 51.638 0.2 . 1 . . . . . . . . 7260 1 202 . 1 1 21 21 LEU H H 1 7.693 0.02 . 1 . . . . . . . . 7260 1 203 . 1 1 21 21 LEU HA H 1 4.979 0.02 . 1 . . . . . . . . 7260 1 204 . 1 1 21 21 LEU HB2 H 1 1.722 0.02 . 2 . . . . . . . . 7260 1 205 . 1 1 21 21 LEU HB3 H 1 1.692 0.02 . 2 . . . . . . . . 7260 1 206 . 1 1 21 21 LEU HG H 1 1.662 0.02 . 1 . . . . . . . . 7260 1 207 . 1 1 21 21 LEU HD11 H 1 1.055 0.02 . 1 . . . . . . . . 7260 1 208 . 1 1 21 21 LEU HD12 H 1 1.055 0.02 . 1 . . . . . . . . 7260 1 209 . 1 1 21 21 LEU HD13 H 1 1.055 0.02 . 1 . . . . . . . . 7260 1 210 . 1 1 21 21 LEU HD21 H 1 0.917 0.02 . 1 . . . . . . . . 7260 1 211 . 1 1 21 21 LEU HD22 H 1 0.917 0.02 . 1 . . . . . . . . 7260 1 212 . 1 1 21 21 LEU HD23 H 1 0.917 0.02 . 1 . . . . . . . . 7260 1 213 . 1 1 21 21 LEU C C 13 174.105 0.2 . 1 . . . . . . . . 7260 1 214 . 1 1 21 21 LEU CA C 13 54.128 0.2 . 1 . . . . . . . . 7260 1 215 . 1 1 21 21 LEU CB C 13 46.792 0.2 . 1 . . . . . . . . 7260 1 216 . 1 1 21 21 LEU CG C 13 27.557 0.2 . 1 . . . . . . . . 7260 1 217 . 1 1 21 21 LEU CD1 C 13 24.193 0.2 . 1 . . . . . . . . 7260 1 218 . 1 1 21 21 LEU CD2 C 13 26.987 0.2 . 1 . . . . . . . . 7260 1 219 . 1 1 21 21 LEU N N 15 122.371 0.2 . 1 . . . . . . . . 7260 1 220 . 1 1 22 22 SER H H 1 9.570 0.02 . 1 . . . . . . . . 7260 1 221 . 1 1 22 22 SER HA H 1 4.236 0.02 . 1 . . . . . . . . 7260 1 222 . 1 1 22 22 SER HB2 H 1 3.817 0.02 . 2 . . . . . . . . 7260 1 223 . 1 1 22 22 SER HB3 H 1 3.688 0.02 . 2 . . . . . . . . 7260 1 224 . 1 1 22 22 SER C C 13 174.075 0.2 . 1 . . . . . . . . 7260 1 225 . 1 1 22 22 SER CA C 13 56.697 0.2 . 1 . . . . . . . . 7260 1 226 . 1 1 22 22 SER CB C 13 67.535 0.2 . 1 . . . . . . . . 7260 1 227 . 1 1 22 22 SER N N 15 122.725 0.2 . 1 . . . . . . . . 7260 1 228 . 1 1 23 23 GLU H H 1 8.726 0.02 . 1 . . . . . . . . 7260 1 229 . 1 1 23 23 GLU HA H 1 3.395 0.02 . 1 . . . . . . . . 7260 1 230 . 1 1 23 23 GLU HB2 H 1 1.917 0.02 . 2 . . . . . . . . 7260 1 231 . 1 1 23 23 GLU HB3 H 1 1.588 0.02 . 2 . . . . . . . . 7260 1 232 . 1 1 23 23 GLU HG2 H 1 2.216 0.02 . 2 . . . . . . . . 7260 1 233 . 1 1 23 23 GLU HG3 H 1 2.064 0.02 . 2 . . . . . . . . 7260 1 234 . 1 1 23 23 GLU C C 13 177.057 0.2 . 1 . . . . . . . . 7260 1 235 . 1 1 23 23 GLU CA C 13 59.525 0.2 . 1 . . . . . . . . 7260 1 236 . 1 1 23 23 GLU CB C 13 26.143 0.2 . 1 . . . . . . . . 7260 1 237 . 1 1 23 23 GLU CG C 13 34.378 0.2 . 1 . . . . . . . . 7260 1 238 . 1 1 23 23 GLU N N 15 119.536 0.2 . 1 . . . . . . . . 7260 1 239 . 1 1 24 24 ASN H H 1 7.877 0.02 . 1 . . . . . . . . 7260 1 240 . 1 1 24 24 ASN HA H 1 4.556 0.02 . 1 . . . . . . . . 7260 1 241 . 1 1 24 24 ASN HB2 H 1 2.688 0.02 . 2 . . . . . . . . 7260 1 242 . 1 1 24 24 ASN HB3 H 1 2.526 0.02 . 2 . . . . . . . . 7260 1 243 . 1 1 24 24 ASN HD21 H 1 7.602 0.02 . 2 . . . . . . . . 7260 1 244 . 1 1 24 24 ASN HD22 H 1 6.942 0.02 . 2 . . . . . . . . 7260 1 245 . 1 1 24 24 ASN C C 13 176.848 0.2 . 1 . . . . . . . . 7260 1 246 . 1 1 24 24 ASN CA C 13 55.143 0.2 . 1 . . . . . . . . 7260 1 247 . 1 1 24 24 ASN CB C 13 38.531 0.2 . 1 . . . . . . . . 7260 1 248 . 1 1 24 24 ASN N N 15 118.898 0.2 . 1 . . . . . . . . 7260 1 249 . 1 1 24 24 ASN ND2 N 15 113.905 0.2 . 1 . . . . . . . . 7260 1 250 . 1 1 25 25 ASP H H 1 7.431 0.02 . 1 . . . . . . . . 7260 1 251 . 1 1 25 25 ASP HA H 1 4.379 0.02 . 1 . . . . . . . . 7260 1 252 . 1 1 25 25 ASP HB2 H 1 2.826 0.02 . 2 . . . . . . . . 7260 1 253 . 1 1 25 25 ASP HB3 H 1 2.637 0.02 . 2 . . . . . . . . 7260 1 254 . 1 1 25 25 ASP C C 13 176.465 0.2 . 1 . . . . . . . . 7260 1 255 . 1 1 25 25 ASP CA C 13 57.317 0.2 . 1 . . . . . . . . 7260 1 256 . 1 1 25 25 ASP CB C 13 41.736 0.2 . 1 . . . . . . . . 7260 1 257 . 1 1 25 25 ASP N N 15 118.197 0.2 . 1 . . . . . . . . 7260 1 258 . 1 1 26 26 ILE H H 1 6.695 0.02 . 1 . . . . . . . . 7260 1 259 . 1 1 26 26 ILE HA H 1 4.092 0.02 . 1 . . . . . . . . 7260 1 260 . 1 1 26 26 ILE HB H 1 1.816 0.02 . 1 . . . . . . . . 7260 1 261 . 1 1 26 26 ILE HG12 H 1 1.496 0.02 . 2 . . . . . . . . 7260 1 262 . 1 1 26 26 ILE HG13 H 1 1.305 0.02 . 2 . . . . . . . . 7260 1 263 . 1 1 26 26 ILE HG21 H 1 0.919 0.02 . 1 . . . . . . . . 7260 1 264 . 1 1 26 26 ILE HG22 H 1 0.919 0.02 . 1 . . . . . . . . 7260 1 265 . 1 1 26 26 ILE HG23 H 1 0.919 0.02 . 1 . . . . . . . . 7260 1 266 . 1 1 26 26 ILE HD11 H 1 0.829 0.02 . 1 . . . . . . . . 7260 1 267 . 1 1 26 26 ILE HD12 H 1 0.829 0.02 . 1 . . . . . . . . 7260 1 268 . 1 1 26 26 ILE HD13 H 1 0.829 0.02 . 1 . . . . . . . . 7260 1 269 . 1 1 26 26 ILE C C 13 175.116 0.2 . 1 . . . . . . . . 7260 1 270 . 1 1 26 26 ILE CA C 13 60.751 0.2 . 1 . . . . . . . . 7260 1 271 . 1 1 26 26 ILE CB C 13 39.026 0.2 . 1 . . . . . . . . 7260 1 272 . 1 1 26 26 ILE CG1 C 13 27.754 0.2 . 1 . . . . . . . . 7260 1 273 . 1 1 26 26 ILE CG2 C 13 18.579 0.2 . 1 . . . . . . . . 7260 1 274 . 1 1 26 26 ILE CD1 C 13 12.727 0.2 . 1 . . . . . . . . 7260 1 275 . 1 1 26 26 ILE N N 15 111.586 0.2 . 1 . . . . . . . . 7260 1 276 . 1 1 27 27 GLY H H 1 7.943 0.02 . 1 . . . . . . . . 7260 1 277 . 1 1 27 27 GLY HA2 H 1 4.061 0.02 . 2 . . . . . . . . 7260 1 278 . 1 1 27 27 GLY HA3 H 1 3.870 0.02 . 2 . . . . . . . . 7260 1 279 . 1 1 27 27 GLY C C 13 174.919 0.2 . 1 . . . . . . . . 7260 1 280 . 1 1 27 27 GLY CA C 13 46.496 0.2 . 1 . . . . . . . . 7260 1 281 . 1 1 27 27 GLY N N 15 107.375 0.2 . 1 . . . . . . . . 7260 1 282 . 1 1 28 28 VAL H H 1 7.133 0.02 . 1 . . . . . . . . 7260 1 283 . 1 1 28 28 VAL HA H 1 4.901 0.02 . 1 . . . . . . . . 7260 1 284 . 1 1 28 28 VAL HB H 1 2.837 0.02 . 1 . . . . . . . . 7260 1 285 . 1 1 28 28 VAL HG21 H 1 0.965 0.02 . 1 . . . . . . . . 7260 1 286 . 1 1 28 28 VAL HG22 H 1 0.965 0.02 . 1 . . . . . . . . 7260 1 287 . 1 1 28 28 VAL HG23 H 1 0.965 0.02 . 1 . . . . . . . . 7260 1 288 . 1 1 28 28 VAL HG11 H 1 0.879 0.02 . 1 . . . . . . . . 7260 1 289 . 1 1 28 28 VAL HG12 H 1 0.879 0.02 . 1 . . . . . . . . 7260 1 290 . 1 1 28 28 VAL HG13 H 1 0.879 0.02 . 1 . . . . . . . . 7260 1 291 . 1 1 28 28 VAL C C 13 175.011 0.2 . 1 . . . . . . . . 7260 1 292 . 1 1 28 28 VAL CA C 13 58.655 0.2 . 1 . . . . . . . . 7260 1 293 . 1 1 28 28 VAL CB C 13 33.634 0.2 . 1 . . . . . . . . 7260 1 294 . 1 1 28 28 VAL CG2 C 13 18.378 0.2 . 1 . . . . . . . . 7260 1 295 . 1 1 28 28 VAL CG1 C 13 22.173 0.2 . 1 . . . . . . . . 7260 1 296 . 1 1 28 28 VAL N N 15 109.530 0.2 . 1 . . . . . . . . 7260 1 297 . 1 1 29 29 THR H H 1 8.042 0.02 . 1 . . . . . . . . 7260 1 298 . 1 1 29 29 THR HA H 1 4.392 0.02 . 1 . . . . . . . . 7260 1 299 . 1 1 29 29 THR HB H 1 4.687 0.02 . 1 . . . . . . . . 7260 1 300 . 1 1 29 29 THR HG21 H 1 1.235 0.02 . 1 . . . . . . . . 7260 1 301 . 1 1 29 29 THR HG22 H 1 1.235 0.02 . 1 . . . . . . . . 7260 1 302 . 1 1 29 29 THR HG23 H 1 1.235 0.02 . 1 . . . . . . . . 7260 1 303 . 1 1 29 29 THR C C 13 175.917 0.2 . 1 . . . . . . . . 7260 1 304 . 1 1 29 29 THR CA C 13 61.279 0.2 . 1 . . . . . . . . 7260 1 305 . 1 1 29 29 THR CB C 13 70.866 0.2 . 1 . . . . . . . . 7260 1 306 . 1 1 29 29 THR CG2 C 13 21.939 0.2 . 1 . . . . . . . . 7260 1 307 . 1 1 29 29 THR N N 15 108.978 0.2 . 1 . . . . . . . . 7260 1 308 . 1 1 30 30 GLU H H 1 9.149 0.02 . 1 . . . . . . . . 7260 1 309 . 1 1 30 30 GLU HA H 1 3.665 0.02 . 1 . . . . . . . . 7260 1 310 . 1 1 30 30 GLU HB2 H 1 1.974 0.02 . 2 . . . . . . . . 7260 1 311 . 1 1 30 30 GLU HB3 H 1 1.988 0.02 . 2 . . . . . . . . 7260 1 312 . 1 1 30 30 GLU HG2 H 1 2.388 0.02 . 2 . . . . . . . . 7260 1 313 . 1 1 30 30 GLU HG3 H 1 2.269 0.02 . 2 . . . . . . . . 7260 1 314 . 1 1 30 30 GLU C C 13 177.533 0.2 . 1 . . . . . . . . 7260 1 315 . 1 1 30 30 GLU CA C 13 60.705 0.2 . 1 . . . . . . . . 7260 1 316 . 1 1 30 30 GLU CB C 13 29.389 0.2 . 1 . . . . . . . . 7260 1 317 . 1 1 30 30 GLU CG C 13 35.905 0.2 . 1 . . . . . . . . 7260 1 318 . 1 1 30 30 GLU N N 15 120.190 0.2 . 1 . . . . . . . . 7260 1 319 . 1 1 31 31 ASP H H 1 8.322 0.02 . 1 . . . . . . . . 7260 1 320 . 1 1 31 31 ASP HA H 1 4.345 0.02 . 1 . . . . . . . . 7260 1 321 . 1 1 31 31 ASP HB2 H 1 2.652 0.02 . 2 . . . . . . . . 7260 1 322 . 1 1 31 31 ASP HB3 H 1 2.530 0.02 . 2 . . . . . . . . 7260 1 323 . 1 1 31 31 ASP C C 13 178.873 0.2 . 1 . . . . . . . . 7260 1 324 . 1 1 31 31 ASP CA C 13 57.481 0.2 . 1 . . . . . . . . 7260 1 325 . 1 1 31 31 ASP CB C 13 40.502 0.2 . 1 . . . . . . . . 7260 1 326 . 1 1 31 31 ASP N N 15 115.126 0.2 . 1 . . . . . . . . 7260 1 327 . 1 1 32 32 GLN H H 1 7.578 0.02 . 1 . . . . . . . . 7260 1 328 . 1 1 32 32 GLN HA H 1 3.975 0.02 . 1 . . . . . . . . 7260 1 329 . 1 1 32 32 GLN HB2 H 1 2.212 0.02 . 2 . . . . . . . . 7260 1 330 . 1 1 32 32 GLN HB3 H 1 1.623 0.02 . 2 . . . . . . . . 7260 1 331 . 1 1 32 32 GLN HG2 H 1 2.420 0.02 . 2 . . . . . . . . 7260 1 332 . 1 1 32 32 GLN HG3 H 1 2.415 0.02 . 2 . . . . . . . . 7260 1 333 . 1 1 32 32 GLN HE21 H 1 7.537 0.02 . 2 . . . . . . . . 7260 1 334 . 1 1 32 32 GLN HE22 H 1 6.737 0.02 . 2 . . . . . . . . 7260 1 335 . 1 1 32 32 GLN C C 13 179.071 0.2 . 1 . . . . . . . . 7260 1 336 . 1 1 32 32 GLN CA C 13 58.659 0.2 . 1 . . . . . . . . 7260 1 337 . 1 1 32 32 GLN CB C 13 28.177 0.2 . 1 . . . . . . . . 7260 1 338 . 1 1 32 32 GLN CG C 13 34.295 0.2 . 1 . . . . . . . . 7260 1 339 . 1 1 32 32 GLN N N 15 118.916 0.2 . 1 . . . . . . . . 7260 1 340 . 1 1 32 32 GLN NE2 N 15 110.220 0.2 . 1 . . . . . . . . 7260 1 341 . 1 1 33 33 PHE H H 1 8.431 0.02 . 1 . . . . . . . . 7260 1 342 . 1 1 33 33 PHE HA H 1 3.816 0.02 . 1 . . . . . . . . 7260 1 343 . 1 1 33 33 PHE HB2 H 1 3.184 0.02 . 2 . . . . . . . . 7260 1 344 . 1 1 33 33 PHE HB3 H 1 2.940 0.02 . 2 . . . . . . . . 7260 1 345 . 1 1 33 33 PHE HD1 H 1 7.157 0.02 . 2 . . . . . . . . 7260 1 346 . 1 1 33 33 PHE HD2 H 1 7.154 0.02 . 2 . . . . . . . . 7260 1 347 . 1 1 33 33 PHE HE1 H 1 7.049 0.02 . 1 . . . . . . . . 7260 1 348 . 1 1 33 33 PHE HE2 H 1 7.049 0.02 . 1 . . . . . . . . 7260 1 349 . 1 1 33 33 PHE HZ H 1 7.001 0.02 . 1 . . . . . . . . 7260 1 350 . 1 1 33 33 PHE C C 13 175.855 0.2 . 1 . . . . . . . . 7260 1 351 . 1 1 33 33 PHE CA C 13 62.555 0.2 . 1 . . . . . . . . 7260 1 352 . 1 1 33 33 PHE CB C 13 41.152 0.2 . 1 . . . . . . . . 7260 1 353 . 1 1 33 33 PHE CD1 C 13 131.961 0.2 . 1 . . . . . . . . 7260 1 354 . 1 1 33 33 PHE CD2 C 13 131.961 0.2 . 1 . . . . . . . . 7260 1 355 . 1 1 33 33 PHE CE1 C 13 131.027 0.2 . 3 . . . . . . . . 7260 1 356 . 1 1 33 33 PHE CE2 C 13 131.039 0.2 . 3 . . . . . . . . 7260 1 357 . 1 1 33 33 PHE CZ C 13 129.748 0.2 . 1 . . . . . . . . 7260 1 358 . 1 1 33 33 PHE N N 15 120.962 0.2 . 1 . . . . . . . . 7260 1 359 . 1 1 34 34 ASP H H 1 9.124 0.02 . 1 . . . . . . . . 7260 1 360 . 1 1 34 34 ASP HA H 1 4.038 0.02 . 1 . . . . . . . . 7260 1 361 . 1 1 34 34 ASP HB2 H 1 2.805 0.02 . 2 . . . . . . . . 7260 1 362 . 1 1 34 34 ASP HB3 H 1 2.506 0.02 . 2 . . . . . . . . 7260 1 363 . 1 1 34 34 ASP C C 13 178.072 0.2 . 1 . . . . . . . . 7260 1 364 . 1 1 34 34 ASP CA C 13 57.437 0.2 . 1 . . . . . . . . 7260 1 365 . 1 1 34 34 ASP CB C 13 39.013 0.2 . 1 . . . . . . . . 7260 1 366 . 1 1 34 34 ASP N N 15 120.336 0.2 . 1 . . . . . . . . 7260 1 367 . 1 1 35 35 ASP H H 1 8.018 0.02 . 1 . . . . . . . . 7260 1 368 . 1 1 35 35 ASP HA H 1 4.374 0.02 . 1 . . . . . . . . 7260 1 369 . 1 1 35 35 ASP HB2 H 1 2.816 0.02 . 2 . . . . . . . . 7260 1 370 . 1 1 35 35 ASP HB3 H 1 2.625 0.02 . 2 . . . . . . . . 7260 1 371 . 1 1 35 35 ASP C C 13 178.753 0.2 . 1 . . . . . . . . 7260 1 372 . 1 1 35 35 ASP CA C 13 57.712 0.2 . 1 . . . . . . . . 7260 1 373 . 1 1 35 35 ASP CB C 13 41.603 0.2 . 1 . . . . . . . . 7260 1 374 . 1 1 35 35 ASP N N 15 118.275 0.2 . 1 . . . . . . . . 7260 1 375 . 1 1 36 36 ALA H H 1 7.378 0.02 . 1 . . . . . . . . 7260 1 376 . 1 1 36 36 ALA HA H 1 4.242 0.02 . 1 . . . . . . . . 7260 1 377 . 1 1 36 36 ALA HB1 H 1 1.254 0.02 . 1 . . . . . . . . 7260 1 378 . 1 1 36 36 ALA HB2 H 1 1.254 0.02 . 1 . . . . . . . . 7260 1 379 . 1 1 36 36 ALA HB3 H 1 1.254 0.02 . 1 . . . . . . . . 7260 1 380 . 1 1 36 36 ALA C C 13 179.048 0.2 . 1 . . . . . . . . 7260 1 381 . 1 1 36 36 ALA CA C 13 55.405 0.2 . 1 . . . . . . . . 7260 1 382 . 1 1 36 36 ALA CB C 13 18.842 0.2 . 1 . . . . . . . . 7260 1 383 . 1 1 36 36 ALA N N 15 121.856 0.2 . 1 . . . . . . . . 7260 1 384 . 1 1 37 37 VAL H H 1 8.441 0.02 . 1 . . . . . . . . 7260 1 385 . 1 1 37 37 VAL HA H 1 3.132 0.02 . 1 . . . . . . . . 7260 1 386 . 1 1 37 37 VAL HB H 1 1.623 0.02 . 1 . . . . . . . . 7260 1 387 . 1 1 37 37 VAL HG11 H 1 0.595 0.02 . 1 . . . . . . . . 7260 1 388 . 1 1 37 37 VAL HG12 H 1 0.595 0.02 . 1 . . . . . . . . 7260 1 389 . 1 1 37 37 VAL HG13 H 1 0.595 0.02 . 1 . . . . . . . . 7260 1 390 . 1 1 37 37 VAL HG21 H 1 0.260 0.02 . 1 . . . . . . . . 7260 1 391 . 1 1 37 37 VAL HG22 H 1 0.260 0.02 . 1 . . . . . . . . 7260 1 392 . 1 1 37 37 VAL HG23 H 1 0.260 0.02 . 1 . . . . . . . . 7260 1 393 . 1 1 37 37 VAL C C 13 177.508 0.2 . 1 . . . . . . . . 7260 1 394 . 1 1 37 37 VAL CA C 13 67.915 0.2 . 1 . . . . . . . . 7260 1 395 . 1 1 37 37 VAL CB C 13 31.463 0.2 . 1 . . . . . . . . 7260 1 396 . 1 1 37 37 VAL CG1 C 13 23.663 0.2 . 1 . . . . . . . . 7260 1 397 . 1 1 37 37 VAL CG2 C 13 23.844 0.2 . 1 . . . . . . . . 7260 1 398 . 1 1 37 37 VAL N N 15 118.480 0.2 . 1 . . . . . . . . 7260 1 399 . 1 1 38 38 ASN H H 1 8.893 0.02 . 1 . . . . . . . . 7260 1 400 . 1 1 38 38 ASN HA H 1 4.439 0.02 . 1 . . . . . . . . 7260 1 401 . 1 1 38 38 ASN HB2 H 1 3.026 0.02 . 2 . . . . . . . . 7260 1 402 . 1 1 38 38 ASN HB3 H 1 2.675 0.02 . 2 . . . . . . . . 7260 1 403 . 1 1 38 38 ASN HD21 H 1 7.568 0.02 . 2 . . . . . . . . 7260 1 404 . 1 1 38 38 ASN HD22 H 1 7.191 0.02 . 2 . . . . . . . . 7260 1 405 . 1 1 38 38 ASN C C 13 178.144 0.2 . 1 . . . . . . . . 7260 1 406 . 1 1 38 38 ASN CA C 13 56.485 0.2 . 1 . . . . . . . . 7260 1 407 . 1 1 38 38 ASN CB C 13 37.378 0.2 . 1 . . . . . . . . 7260 1 408 . 1 1 38 38 ASN N N 15 116.898 0.2 . 1 . . . . . . . . 7260 1 409 . 1 1 38 38 ASN ND2 N 15 112.243 0.2 . 1 . . . . . . . . 7260 1 410 . 1 1 39 39 PHE H H 1 8.135 0.02 . 1 . . . . . . . . 7260 1 411 . 1 1 39 39 PHE HA H 1 4.068 0.02 . 1 . . . . . . . . 7260 1 412 . 1 1 39 39 PHE HB2 H 1 3.228 0.02 . 1 . . . . . . . . 7260 1 413 . 1 1 39 39 PHE HB3 H 1 3.228 0.02 . 1 . . . . . . . . 7260 1 414 . 1 1 39 39 PHE HD1 H 1 6.987 0.02 . 2 . . . . . . . . 7260 1 415 . 1 1 39 39 PHE HD2 H 1 6.988 0.02 . 2 . . . . . . . . 7260 1 416 . 1 1 39 39 PHE HE1 H 1 7.141 0.02 . 2 . . . . . . . . 7260 1 417 . 1 1 39 39 PHE HE2 H 1 7.142 0.02 . 2 . . . . . . . . 7260 1 418 . 1 1 39 39 PHE HZ H 1 7.342 0.02 . 1 . . . . . . . . 7260 1 419 . 1 1 39 39 PHE C C 13 175.902 0.2 . 1 . . . . . . . . 7260 1 420 . 1 1 39 39 PHE CA C 13 62.155 0.2 . 1 . . . . . . . . 7260 1 421 . 1 1 39 39 PHE CB C 13 38.690 0.2 . 1 . . . . . . . . 7260 1 422 . 1 1 39 39 PHE CD1 C 13 131.721 0.2 . 3 . . . . . . . . 7260 1 423 . 1 1 39 39 PHE CD2 C 13 131.711 0.2 . 3 . . . . . . . . 7260 1 424 . 1 1 39 39 PHE CE1 C 13 131.963 0.2 . 3 . . . . . . . . 7260 1 425 . 1 1 39 39 PHE CE2 C 13 131.958 0.2 . 3 . . . . . . . . 7260 1 426 . 1 1 39 39 PHE CZ C 13 130.343 0.2 . 1 . . . . . . . . 7260 1 427 . 1 1 39 39 PHE N N 15 122.169 0.2 . 1 . . . . . . . . 7260 1 428 . 1 1 40 40 LEU H H 1 8.266 0.02 . 1 . . . . . . . . 7260 1 429 . 1 1 40 40 LEU HA H 1 3.862 0.02 . 1 . . . . . . . . 7260 1 430 . 1 1 40 40 LEU HB2 H 1 2.049 0.02 . 2 . . . . . . . . 7260 1 431 . 1 1 40 40 LEU HB3 H 1 1.206 0.02 . 2 . . . . . . . . 7260 1 432 . 1 1 40 40 LEU HG H 1 2.264 0.02 . 1 . . . . . . . . 7260 1 433 . 1 1 40 40 LEU HD11 H 1 0.803 0.02 . 1 . . . . . . . . 7260 1 434 . 1 1 40 40 LEU HD12 H 1 0.803 0.02 . 1 . . . . . . . . 7260 1 435 . 1 1 40 40 LEU HD13 H 1 0.803 0.02 . 1 . . . . . . . . 7260 1 436 . 1 1 40 40 LEU HD21 H 1 0.616 0.02 . 1 . . . . . . . . 7260 1 437 . 1 1 40 40 LEU HD22 H 1 0.616 0.02 . 1 . . . . . . . . 7260 1 438 . 1 1 40 40 LEU HD23 H 1 0.616 0.02 . 1 . . . . . . . . 7260 1 439 . 1 1 40 40 LEU C C 13 179.052 0.2 . 1 . . . . . . . . 7260 1 440 . 1 1 40 40 LEU CA C 13 57.475 0.2 . 1 . . . . . . . . 7260 1 441 . 1 1 40 40 LEU CB C 13 42.406 0.2 . 1 . . . . . . . . 7260 1 442 . 1 1 40 40 LEU CG C 13 26.655 0.2 . 1 . . . . . . . . 7260 1 443 . 1 1 40 40 LEU CD1 C 13 25.498 0.2 . 1 . . . . . . . . 7260 1 444 . 1 1 40 40 LEU CD2 C 13 22.436 0.2 . 1 . . . . . . . . 7260 1 445 . 1 1 40 40 LEU N N 15 118.549 0.2 . 1 . . . . . . . . 7260 1 446 . 1 1 41 41 LYS H H 1 8.496 0.02 . 1 . . . . . . . . 7260 1 447 . 1 1 41 41 LYS HA H 1 4.226 0.02 . 1 . . . . . . . . 7260 1 448 . 1 1 41 41 LYS HB2 H 1 2.014 0.02 . 2 . . . . . . . . 7260 1 449 . 1 1 41 41 LYS HB3 H 1 1.747 0.02 . 2 . . . . . . . . 7260 1 450 . 1 1 41 41 LYS HG2 H 1 1.574 0.02 . 2 . . . . . . . . 7260 1 451 . 1 1 41 41 LYS HG3 H 1 1.551 0.02 . 2 . . . . . . . . 7260 1 452 . 1 1 41 41 LYS C C 13 180.365 0.2 . 1 . . . . . . . . 7260 1 453 . 1 1 41 41 LYS CA C 13 59.046 0.2 . 1 . . . . . . . . 7260 1 454 . 1 1 41 41 LYS CB C 13 33.121 0.2 . 1 . . . . . . . . 7260 1 455 . 1 1 41 41 LYS CG C 13 25.006 0.2 . 1 . . . . . . . . 7260 1 456 . 1 1 41 41 LYS CD C 13 29.119 0.2 . 1 . . . . . . . . 7260 1 457 . 1 1 41 41 LYS CE C 13 42.458 0.2 . 1 . . . . . . . . 7260 1 458 . 1 1 41 41 LYS N N 15 119.833 0.2 . 1 . . . . . . . . 7260 1 459 . 1 1 42 42 ARG H H 1 9.033 0.02 . 1 . . . . . . . . 7260 1 460 . 1 1 42 42 ARG HA H 1 3.956 0.02 . 1 . . . . . . . . 7260 1 461 . 1 1 42 42 ARG HB2 H 1 1.937 0.02 . 2 . . . . . . . . 7260 1 462 . 1 1 42 42 ARG HB3 H 1 1.806 0.02 . 2 . . . . . . . . 7260 1 463 . 1 1 42 42 ARG HG2 H 1 1.665 0.02 . 2 . . . . . . . . 7260 1 464 . 1 1 42 42 ARG HG3 H 1 1.530 0.02 . 2 . . . . . . . . 7260 1 465 . 1 1 42 42 ARG HD2 H 1 3.171 0.02 . 2 . . . . . . . . 7260 1 466 . 1 1 42 42 ARG HD3 H 1 3.176 0.02 . 2 . . . . . . . . 7260 1 467 . 1 1 42 42 ARG HE H 1 7.365 0.02 . 1 . . . . . . . . 7260 1 468 . 1 1 42 42 ARG C C 13 178.748 0.2 . 1 . . . . . . . . 7260 1 469 . 1 1 42 42 ARG CA C 13 59.864 0.2 . 1 . . . . . . . . 7260 1 470 . 1 1 42 42 ARG CB C 13 30.108 0.2 . 1 . . . . . . . . 7260 1 471 . 1 1 42 42 ARG CG C 13 27.732 0.2 . 1 . . . . . . . . 7260 1 472 . 1 1 42 42 ARG CD C 13 43.546 0.2 . 1 . . . . . . . . 7260 1 473 . 1 1 42 42 ARG N N 15 123.854 0.2 . 1 . . . . . . . . 7260 1 474 . 1 1 42 42 ARG NE N 15 84.842 0.2 . 1 . . . . . . . . 7260 1 475 . 1 1 43 43 GLU H H 1 8.006 0.02 . 1 . . . . . . . . 7260 1 476 . 1 1 43 43 GLU HA H 1 4.065 0.02 . 1 . . . . . . . . 7260 1 477 . 1 1 43 43 GLU HB2 H 1 1.817 0.02 . 2 . . . . . . . . 7260 1 478 . 1 1 43 43 GLU HB3 H 1 1.080 0.02 . 2 . . . . . . . . 7260 1 479 . 1 1 43 43 GLU HG2 H 1 1.561 0.02 . 2 . . . . . . . . 7260 1 480 . 1 1 43 43 GLU HG3 H 1 1.551 0.02 . 2 . . . . . . . . 7260 1 481 . 1 1 43 43 GLU C C 13 176.075 0.2 . 1 . . . . . . . . 7260 1 482 . 1 1 43 43 GLU CA C 13 55.371 0.2 . 1 . . . . . . . . 7260 1 483 . 1 1 43 43 GLU CB C 13 29.022 0.2 . 1 . . . . . . . . 7260 1 484 . 1 1 43 43 GLU CG C 13 35.517 0.2 . 1 . . . . . . . . 7260 1 485 . 1 1 43 43 GLU N N 15 113.908 0.2 . 1 . . . . . . . . 7260 1 486 . 1 1 44 44 GLY H H 1 7.424 0.02 . 1 . . . . . . . . 7260 1 487 . 1 1 44 44 GLY HA2 H 1 3.874 0.02 . 1 . . . . . . . . 7260 1 488 . 1 1 44 44 GLY HA3 H 1 3.874 0.02 . 1 . . . . . . . . 7260 1 489 . 1 1 44 44 GLY C C 13 175.995 0.2 . 1 . . . . . . . . 7260 1 490 . 1 1 44 44 GLY CA C 13 46.505 0.2 . 1 . . . . . . . . 7260 1 491 . 1 1 44 44 GLY N N 15 103.878 0.2 . 1 . . . . . . . . 7260 1 492 . 1 1 45 45 TYR H H 1 8.799 0.02 . 1 . . . . . . . . 7260 1 493 . 1 1 45 45 TYR HA H 1 4.066 0.02 . 1 . . . . . . . . 7260 1 494 . 1 1 45 45 TYR HB2 H 1 2.999 0.02 . 2 . . . . . . . . 7260 1 495 . 1 1 45 45 TYR HB3 H 1 2.917 0.02 . 2 . . . . . . . . 7260 1 496 . 1 1 45 45 TYR HD1 H 1 6.690 0.02 . 1 . . . . . . . . 7260 1 497 . 1 1 45 45 TYR HD2 H 1 6.690 0.02 . 1 . . . . . . . . 7260 1 498 . 1 1 45 45 TYR HE1 H 1 6.512 0.02 . 1 . . . . . . . . 7260 1 499 . 1 1 45 45 TYR HE2 H 1 6.512 0.02 . 1 . . . . . . . . 7260 1 500 . 1 1 45 45 TYR C C 13 175.123 0.2 . 1 . . . . . . . . 7260 1 501 . 1 1 45 45 TYR CA C 13 60.556 0.2 . 1 . . . . . . . . 7260 1 502 . 1 1 45 45 TYR CB C 13 39.664 0.2 . 1 . . . . . . . . 7260 1 503 . 1 1 45 45 TYR CD1 C 13 131.493 0.2 . 1 . . . . . . . . 7260 1 504 . 1 1 45 45 TYR CD2 C 13 131.493 0.2 . 1 . . . . . . . . 7260 1 505 . 1 1 45 45 TYR CE1 C 13 118.877 0.2 . 1 . . . . . . . . 7260 1 506 . 1 1 45 45 TYR CE2 C 13 118.877 0.2 . 1 . . . . . . . . 7260 1 507 . 1 1 45 45 TYR N N 15 118.934 0.2 . 1 . . . . . . . . 7260 1 508 . 1 1 46 46 ILE H H 1 7.045 0.02 . 1 . . . . . . . . 7260 1 509 . 1 1 46 46 ILE HA H 1 5.439 0.02 . 1 . . . . . . . . 7260 1 510 . 1 1 46 46 ILE HB H 1 1.874 0.02 . 1 . . . . . . . . 7260 1 511 . 1 1 46 46 ILE HG12 H 1 0.980 0.02 . 2 . . . . . . . . 7260 1 512 . 1 1 46 46 ILE HG21 H 1 0.796 0.02 . 1 . . . . . . . . 7260 1 513 . 1 1 46 46 ILE HG22 H 1 0.796 0.02 . 1 . . . . . . . . 7260 1 514 . 1 1 46 46 ILE HG23 H 1 0.796 0.02 . 1 . . . . . . . . 7260 1 515 . 1 1 46 46 ILE HD11 H 1 0.552 0.02 . 1 . . . . . . . . 7260 1 516 . 1 1 46 46 ILE HD12 H 1 0.552 0.02 . 1 . . . . . . . . 7260 1 517 . 1 1 46 46 ILE HD13 H 1 0.552 0.02 . 1 . . . . . . . . 7260 1 518 . 1 1 46 46 ILE C C 13 173.601 0.2 . 1 . . . . . . . . 7260 1 519 . 1 1 46 46 ILE CA C 13 58.806 0.2 . 1 . . . . . . . . 7260 1 520 . 1 1 46 46 ILE CB C 13 42.662 0.2 . 1 . . . . . . . . 7260 1 521 . 1 1 46 46 ILE CG2 C 13 18.793 0.2 . 1 . . . . . . . . 7260 1 522 . 1 1 46 46 ILE CD1 C 13 14.156 0.2 . 1 . . . . . . . . 7260 1 523 . 1 1 46 46 ILE N N 15 107.946 0.2 . 1 . . . . . . . . 7260 1 524 . 1 1 47 47 ILE H H 1 8.797 0.02 . 1 . . . . . . . . 7260 1 525 . 1 1 47 47 ILE HA H 1 4.613 0.02 . 1 . . . . . . . . 7260 1 526 . 1 1 47 47 ILE HB H 1 2.016 0.02 . 1 . . . . . . . . 7260 1 527 . 1 1 47 47 ILE HG12 H 1 1.206 0.02 . 1 . . . . . . . . 7260 1 528 . 1 1 47 47 ILE HG13 H 1 1.206 0.02 . 1 . . . . . . . . 7260 1 529 . 1 1 47 47 ILE HG21 H 1 0.813 0.02 . 1 . . . . . . . . 7260 1 530 . 1 1 47 47 ILE HG22 H 1 0.813 0.02 . 1 . . . . . . . . 7260 1 531 . 1 1 47 47 ILE HG23 H 1 0.813 0.02 . 1 . . . . . . . . 7260 1 532 . 1 1 47 47 ILE HD11 H 1 0.794 0.02 . 1 . . . . . . . . 7260 1 533 . 1 1 47 47 ILE HD12 H 1 0.794 0.02 . 1 . . . . . . . . 7260 1 534 . 1 1 47 47 ILE HD13 H 1 0.794 0.02 . 1 . . . . . . . . 7260 1 535 . 1 1 47 47 ILE C C 13 175.501 0.2 . 1 . . . . . . . . 7260 1 536 . 1 1 47 47 ILE CA C 13 60.130 0.2 . 1 . . . . . . . . 7260 1 537 . 1 1 47 47 ILE CB C 13 42.268 0.2 . 1 . . . . . . . . 7260 1 538 . 1 1 47 47 ILE CG2 C 13 18.269 0.2 . 1 . . . . . . . . 7260 1 539 . 1 1 47 47 ILE CD1 C 13 13.771 0.2 . 1 . . . . . . . . 7260 1 540 . 1 1 47 47 ILE N N 15 115.484 0.2 . 1 . . . . . . . . 7260 1 541 . 1 1 48 48 GLY H H 1 8.380 0.02 . 1 . . . . . . . . 7260 1 542 . 1 1 48 48 GLY HA2 H 1 4.190 0.02 . 2 . . . . . . . . 7260 1 543 . 1 1 48 48 GLY HA3 H 1 3.492 0.02 . 2 . . . . . . . . 7260 1 544 . 1 1 48 48 GLY C C 13 174.627 0.2 . 1 . . . . . . . . 7260 1 545 . 1 1 48 48 GLY CA C 13 46.318 0.2 . 1 . . . . . . . . 7260 1 546 . 1 1 48 48 GLY N N 15 106.509 0.2 . 1 . . . . . . . . 7260 1 547 . 1 1 49 49 VAL H H 1 7.411 0.02 . 1 . . . . . . . . 7260 1 548 . 1 1 49 49 VAL HA H 1 3.560 0.02 . 1 . . . . . . . . 7260 1 549 . 1 1 49 49 VAL HB H 1 1.830 0.02 . 1 . . . . . . . . 7260 1 550 . 1 1 49 49 VAL HG21 H 1 0.578 0.02 . 1 . . . . . . . . 7260 1 551 . 1 1 49 49 VAL HG22 H 1 0.578 0.02 . 1 . . . . . . . . 7260 1 552 . 1 1 49 49 VAL HG23 H 1 0.578 0.02 . 1 . . . . . . . . 7260 1 553 . 1 1 49 49 VAL HG11 H 1 0.370 0.02 . 1 . . . . . . . . 7260 1 554 . 1 1 49 49 VAL HG12 H 1 0.370 0.02 . 1 . . . . . . . . 7260 1 555 . 1 1 49 49 VAL HG13 H 1 0.370 0.02 . 1 . . . . . . . . 7260 1 556 . 1 1 49 49 VAL C C 13 174.973 0.2 . 1 . . . . . . . . 7260 1 557 . 1 1 49 49 VAL CA C 13 62.672 0.2 . 1 . . . . . . . . 7260 1 558 . 1 1 49 49 VAL CB C 13 32.464 0.2 . 1 . . . . . . . . 7260 1 559 . 1 1 49 49 VAL CG2 C 13 22.320 0.2 . 1 . . . . . . . . 7260 1 560 . 1 1 49 49 VAL CG1 C 13 22.280 0.2 . 1 . . . . . . . . 7260 1 561 . 1 1 49 49 VAL N N 15 119.284 0.2 . 1 . . . . . . . . 7260 1 562 . 1 1 50 50 HIS H H 1 7.895 0.02 . 1 . . . . . . . . 7260 1 563 . 1 1 50 50 HIS HA H 1 4.927 0.02 . 1 . . . . . . . . 7260 1 564 . 1 1 50 50 HIS HB2 H 1 3.014 0.02 . 2 . . . . . . . . 7260 1 565 . 1 1 50 50 HIS HB3 H 1 2.845 0.02 . 2 . . . . . . . . 7260 1 566 . 1 1 50 50 HIS HD2 H 1 7.061 0.02 . 1 . . . . . . . . 7260 1 567 . 1 1 50 50 HIS CD2 C 13 119.95 0.2 . 1 . . . . . . . . 7260 1 568 . 1 1 50 50 HIS C C 13 173.900 0.2 . 1 . . . . . . . . 7260 1 569 . 1 1 50 50 HIS CA C 13 55.063 0.2 . 1 . . . . . . . . 7260 1 570 . 1 1 50 50 HIS CB C 13 31.829 0.2 . 1 . . . . . . . . 7260 1 571 . 1 1 50 50 HIS N N 15 126.375 0.2 . 1 . . . . . . . . 7260 1 572 . 1 1 51 51 TYR H H 1 8.998 0.02 . 1 . . . . . . . . 7260 1 573 . 1 1 51 51 TYR HA H 1 5.099 0.02 . 1 . . . . . . . . 7260 1 574 . 1 1 51 51 TYR HB2 H 1 2.721 0.02 . 2 . . . . . . . . 7260 1 575 . 1 1 51 51 TYR HB3 H 1 2.725 0.02 . 2 . . . . . . . . 7260 1 576 . 1 1 51 51 TYR HD1 H 1 6.804 0.02 . 1 . . . . . . . . 7260 1 577 . 1 1 51 51 TYR HD2 H 1 6.804 0.02 . 1 . . . . . . . . 7260 1 578 . 1 1 51 51 TYR HE1 H 1 6.684 0.02 . 1 . . . . . . . . 7260 1 579 . 1 1 51 51 TYR HE2 H 1 6.684 0.02 . 1 . . . . . . . . 7260 1 580 . 1 1 51 51 TYR C C 13 176.014 0.2 . 1 . . . . . . . . 7260 1 581 . 1 1 51 51 TYR CA C 13 58.271 0.2 . 1 . . . . . . . . 7260 1 582 . 1 1 51 51 TYR CB C 13 39.745 0.2 . 1 . . . . . . . . 7260 1 583 . 1 1 51 51 TYR CD1 C 13 132.892 0.2 . 1 . . . . . . . . 7260 1 584 . 1 1 51 51 TYR CD2 C 13 132.892 0.2 . 1 . . . . . . . . 7260 1 585 . 1 1 51 51 TYR CE1 C 13 117.96 0.2 . 1 . . . . . . . . 7260 1 586 . 1 1 51 51 TYR CE2 C 13 117.96 0.2 . 1 . . . . . . . . 7260 1 587 . 1 1 51 51 TYR N N 15 126.516 0.2 . 1 . . . . . . . . 7260 1 588 . 1 1 52 52 SER H H 1 8.576 0.02 . 1 . . . . . . . . 7260 1 589 . 1 1 52 52 SER HA H 1 4.600 0.02 . 1 . . . . . . . . 7260 1 590 . 1 1 52 52 SER HB2 H 1 3.840 0.02 . 2 . . . . . . . . 7260 1 591 . 1 1 52 52 SER HB3 H 1 3.838 0.02 . 2 . . . . . . . . 7260 1 592 . 1 1 52 52 SER C C 13 175.243 0.2 . 1 . . . . . . . . 7260 1 593 . 1 1 52 52 SER CA C 13 58.690 0.2 . 1 . . . . . . . . 7260 1 594 . 1 1 52 52 SER CB C 13 64.186 0.2 . 1 . . . . . . . . 7260 1 595 . 1 1 52 52 SER N N 15 115.725 0.2 . 1 . . . . . . . . 7260 1 596 . 1 1 53 53 ASP H H 1 9.586 0.02 . 1 . . . . . . . . 7260 1 597 . 1 1 53 53 ASP HA H 1 4.328 0.02 . 1 . . . . . . . . 7260 1 598 . 1 1 53 53 ASP HB2 H 1 2.931 0.02 . 2 . . . . . . . . 7260 1 599 . 1 1 53 53 ASP HB3 H 1 2.817 0.02 . 2 . . . . . . . . 7260 1 600 . 1 1 53 53 ASP C C 13 174.654 0.2 . 1 . . . . . . . . 7260 1 601 . 1 1 53 53 ASP CA C 13 56.307 0.2 . 1 . . . . . . . . 7260 1 602 . 1 1 53 53 ASP CB C 13 39.634 0.2 . 1 . . . . . . . . 7260 1 603 . 1 1 53 53 ASP N N 15 125.832 0.2 . 1 . . . . . . . . 7260 1 604 . 1 1 54 54 ASP H H 1 8.743 0.02 . 1 . . . . . . . . 7260 1 605 . 1 1 54 54 ASP HA H 1 4.271 0.02 . 1 . . . . . . . . 7260 1 606 . 1 1 54 54 ASP HB2 H 1 2.981 0.02 . 2 . . . . . . . . 7260 1 607 . 1 1 54 54 ASP HB3 H 1 2.879 0.02 . 2 . . . . . . . . 7260 1 608 . 1 1 54 54 ASP C C 13 175.164 0.2 . 1 . . . . . . . . 7260 1 609 . 1 1 54 54 ASP CA C 13 56.171 0.2 . 1 . . . . . . . . 7260 1 610 . 1 1 54 54 ASP CB C 13 40.092 0.2 . 1 . . . . . . . . 7260 1 611 . 1 1 54 54 ASP N N 15 109.920 0.2 . 1 . . . . . . . . 7260 1 612 . 1 1 55 55 ARG H H 1 7.886 0.02 . 1 . . . . . . . . 7260 1 613 . 1 1 55 55 ARG HA H 1 4.864 0.02 . 1 . . . . . . . . 7260 1 614 . 1 1 55 55 ARG HB2 H 1 1.891 0.02 . 2 . . . . . . . . 7260 1 615 . 1 1 55 55 ARG HB3 H 1 1.402 0.02 . 2 . . . . . . . . 7260 1 616 . 1 1 55 55 ARG HE H 1 9.268 0.02 . 1 . . . . . . . . 7260 1 617 . 1 1 55 55 ARG CA C 13 54.510 0.2 . 1 . . . . . . . . 7260 1 618 . 1 1 55 55 ARG CB C 13 32.681 0.2 . 1 . . . . . . . . 7260 1 619 . 1 1 55 55 ARG N N 15 118.128 0.2 . 1 . . . . . . . . 7260 1 620 . 1 1 55 55 ARG NE N 15 87.671 0.2 . 1 . . . . . . . . 7260 1 621 . 1 1 56 56 PRO HA H 1 3.634 0.02 . 1 . . . . . . . . 7260 1 622 . 1 1 56 56 PRO HB2 H 1 1.617 0.02 . 2 . . . . . . . . 7260 1 623 . 1 1 56 56 PRO HB3 H 1 1.259 0.02 . 2 . . . . . . . . 7260 1 624 . 1 1 56 56 PRO HG2 H 1 1.987 0.02 . 2 . . . . . . . . 7260 1 625 . 1 1 56 56 PRO HG3 H 1 1.999 0.02 . 2 . . . . . . . . 7260 1 626 . 1 1 56 56 PRO HD2 H 1 3.787 0.02 . 2 . . . . . . . . 7260 1 627 . 1 1 56 56 PRO HD3 H 1 3.672 0.02 . 2 . . . . . . . . 7260 1 628 . 1 1 56 56 PRO C C 13 175.737 0.2 . 1 . . . . . . . . 7260 1 629 . 1 1 56 56 PRO CA C 13 61.468 0.2 . 1 . . . . . . . . 7260 1 630 . 1 1 56 56 PRO CB C 13 32.869 0.2 . 1 . . . . . . . . 7260 1 631 . 1 1 56 56 PRO CG C 13 26.392 0.2 . 1 . . . . . . . . 7260 1 632 . 1 1 56 56 PRO CD C 13 49.661 0.2 . 1 . . . . . . . . 7260 1 633 . 1 1 57 57 HIS H H 1 7.988 0.02 . 1 . . . . . . . . 7260 1 634 . 1 1 57 57 HIS HA H 1 4.577 0.02 . 1 . . . . . . . . 7260 1 635 . 1 1 57 57 HIS HB2 H 1 2.524 0.02 . 2 . . . . . . . . 7260 1 636 . 1 1 57 57 HIS HB3 H 1 2.359 0.02 . 2 . . . . . . . . 7260 1 637 . 1 1 57 57 HIS HD2 H 1 7.233 0.02 . 1 . . . . . . . . 7260 1 638 . 1 1 57 57 HIS HE1 H 1 8.714 0.02 . 1 . . . . . . . . 7260 1 639 . 1 1 57 57 HIS C C 13 173.861 0.2 . 1 . . . . . . . . 7260 1 640 . 1 1 57 57 HIS CA C 13 55.006 0.2 . 1 . . . . . . . . 7260 1 641 . 1 1 57 57 HIS CB C 13 31.229 0.2 . 1 . . . . . . . . 7260 1 642 . 1 1 57 57 HIS CD2 C 13 121.260 0.2 . 1 . . . . . . . . 7260 1 643 . 1 1 57 57 HIS CE1 C 13 136.637 0.2 . 1 . . . . . . . . 7260 1 644 . 1 1 57 57 HIS N N 15 115.176 0.2 . 1 . . . . . . . . 7260 1 645 . 1 1 58 58 LEU H H 1 9.260 0.02 . 1 . . . . . . . . 7260 1 646 . 1 1 58 58 LEU HA H 1 4.633 0.02 . 1 . . . . . . . . 7260 1 647 . 1 1 58 58 LEU HB2 H 1 2.744 0.02 . 2 . . . . . . . . 7260 1 648 . 1 1 58 58 LEU HB3 H 1 1.027 0.02 . 2 . . . . . . . . 7260 1 649 . 1 1 58 58 LEU HG H 1 1.631 0.02 . 1 . . . . . . . . 7260 1 650 . 1 1 58 58 LEU HD11 H 1 0.908 0.02 . 1 . . . . . . . . 7260 1 651 . 1 1 58 58 LEU HD12 H 1 0.908 0.02 . 1 . . . . . . . . 7260 1 652 . 1 1 58 58 LEU HD13 H 1 0.908 0.02 . 1 . . . . . . . . 7260 1 653 . 1 1 58 58 LEU HD21 H 1 0.717 0.02 . 1 . . . . . . . . 7260 1 654 . 1 1 58 58 LEU HD22 H 1 0.717 0.02 . 1 . . . . . . . . 7260 1 655 . 1 1 58 58 LEU HD23 H 1 0.717 0.02 . 1 . . . . . . . . 7260 1 656 . 1 1 58 58 LEU C C 13 175.005 0.2 . 1 . . . . . . . . 7260 1 657 . 1 1 58 58 LEU CA C 13 52.734 0.2 . 1 . . . . . . . . 7260 1 658 . 1 1 58 58 LEU CB C 13 40.704 0.2 . 1 . . . . . . . . 7260 1 659 . 1 1 58 58 LEU CD1 C 13 27.166 0.2 . 1 . . . . . . . . 7260 1 660 . 1 1 58 58 LEU CD2 C 13 24.025 0.2 . 1 . . . . . . . . 7260 1 661 . 1 1 58 58 LEU N N 15 125.328 0.2 . 1 . . . . . . . . 7260 1 662 . 1 1 59 59 TYR H H 1 8.137 0.02 . 1 . . . . . . . . 7260 1 663 . 1 1 59 59 TYR HA H 1 4.809 0.02 . 1 . . . . . . . . 7260 1 664 . 1 1 59 59 TYR HB2 H 1 3.420 0.02 . 2 . . . . . . . . 7260 1 665 . 1 1 59 59 TYR HB3 H 1 2.911 0.02 . 2 . . . . . . . . 7260 1 666 . 1 1 59 59 TYR C C 13 174.326 0.2 . 1 . . . . . . . . 7260 1 667 . 1 1 59 59 TYR CA C 13 55.274 0.2 . 1 . . . . . . . . 7260 1 668 . 1 1 59 59 TYR CB C 13 38.332 0.2 . 1 . . . . . . . . 7260 1 669 . 1 1 59 59 TYR HD1 H 1 7.052 0.02 . 1 . . . . . . . . 7260 1 670 . 1 1 59 59 TYR HD2 H 1 7.052 0.02 . 1 . . . . . . . . 7260 1 671 . 1 1 59 59 TYR HE1 H 1 6.451 0.02 . 1 . . . . . . . . 7260 1 672 . 1 1 59 59 TYR HE2 H 1 6.451 0.02 . 1 . . . . . . . . 7260 1 673 . 1 1 59 59 TYR CD1 C 13 131.5 0.2 . 1 . . . . . . . . 7260 1 674 . 1 1 59 59 TYR CD2 C 13 131.5 0.2 . 1 . . . . . . . . 7260 1 675 . 1 1 59 59 TYR CE1 C 13 117.8 0.2 . 1 . . . . . . . . 7260 1 676 . 1 1 59 59 TYR CE2 C 13 117.8 0.2 . 1 . . . . . . . . 7260 1 677 . 1 1 59 59 TYR N N 15 123.112 0.2 . 1 . . . . . . . . 7260 1 678 . 1 1 60 60 LYS H H 1 8.469 0.02 . 1 . . . . . . . . 7260 1 679 . 1 1 60 60 LYS HA H 1 3.621 0.02 . 1 . . . . . . . . 7260 1 680 . 1 1 60 60 LYS HB2 H 1 1.825 0.02 . 2 . . . . . . . . 7260 1 681 . 1 1 60 60 LYS HB3 H 1 1.794 0.02 . 2 . . . . . . . . 7260 1 682 . 1 1 60 60 LYS C C 13 176.688 0.2 . 1 . . . . . . . . 7260 1 683 . 1 1 60 60 LYS CA C 13 59.874 0.2 . 1 . . . . . . . . 7260 1 684 . 1 1 60 60 LYS CB C 13 33.099 0.2 . 1 . . . . . . . . 7260 1 685 . 1 1 60 60 LYS CG C 13 24.583 0.2 . 1 . . . . . . . . 7260 1 686 . 1 1 60 60 LYS CD C 13 29.066 0.2 . 1 . . . . . . . . 7260 1 687 . 1 1 60 60 LYS CE C 13 42.337 0.2 . 1 . . . . . . . . 7260 1 688 . 1 1 60 60 LYS N N 15 118.011 0.2 . 1 . . . . . . . . 7260 1 689 . 1 1 61 61 LEU H H 1 8.000 0.02 . 1 . . . . . . . . 7260 1 690 . 1 1 61 61 LEU HA H 1 4.530 0.02 . 1 . . . . . . . . 7260 1 691 . 1 1 61 61 LEU HB2 H 1 1.577 0.02 . 2 . . . . . . . . 7260 1 692 . 1 1 61 61 LEU HB3 H 1 1.537 0.02 . 2 . . . . . . . . 7260 1 693 . 1 1 61 61 LEU HG H 1 1.490 0.02 . 1 . . . . . . . . 7260 1 694 . 1 1 61 61 LEU HD11 H 1 0.889 0.02 . 1 . . . . . . . . 7260 1 695 . 1 1 61 61 LEU HD12 H 1 0.889 0.02 . 1 . . . . . . . . 7260 1 696 . 1 1 61 61 LEU HD13 H 1 0.889 0.02 . 1 . . . . . . . . 7260 1 697 . 1 1 61 61 LEU HD21 H 1 0.866 0.02 . 1 . . . . . . . . 7260 1 698 . 1 1 61 61 LEU HD22 H 1 0.866 0.02 . 1 . . . . . . . . 7260 1 699 . 1 1 61 61 LEU HD23 H 1 0.866 0.02 . 1 . . . . . . . . 7260 1 700 . 1 1 61 61 LEU C C 13 175.385 0.2 . 1 . . . . . . . . 7260 1 701 . 1 1 61 61 LEU CA C 13 53.578 0.2 . 1 . . . . . . . . 7260 1 702 . 1 1 61 61 LEU CB C 13 42.805 0.2 . 1 . . . . . . . . 7260 1 703 . 1 1 61 61 LEU CG C 13 27.036 0.2 . 1 . . . . . . . . 7260 1 704 . 1 1 61 61 LEU CD1 C 13 24.569 0.2 . 1 . . . . . . . . 7260 1 705 . 1 1 61 61 LEU CD2 C 13 23.827 0.2 . 1 . . . . . . . . 7260 1 706 . 1 1 61 61 LEU N N 15 116.621 0.2 . 1 . . . . . . . . 7260 1 707 . 1 1 62 62 GLY H H 1 8.744 0.02 . 1 . . . . . . . . 7260 1 708 . 1 1 62 62 GLY HA2 H 1 4.649 0.02 . 2 . . . . . . . . 7260 1 709 . 1 1 62 62 GLY HA3 H 1 3.550 0.02 . 2 . . . . . . . . 7260 1 710 . 1 1 62 62 GLY CA C 13 46.230 0.2 . 1 . . . . . . . . 7260 1 711 . 1 1 62 62 GLY N N 15 110.992 0.2 . 1 . . . . . . . . 7260 1 712 . 1 1 63 63 PRO HA H 1 4.983 0.02 . 1 . . . . . . . . 7260 1 713 . 1 1 63 63 PRO HB2 H 1 1.877 0.02 . 2 . . . . . . . . 7260 1 714 . 1 1 63 63 PRO HB3 H 1 1.868 0.02 . 2 . . . . . . . . 7260 1 715 . 1 1 63 63 PRO HG2 H 1 2.216 0.02 . 2 . . . . . . . . 7260 1 716 . 1 1 63 63 PRO HG3 H 1 2.209 0.02 . 2 . . . . . . . . 7260 1 717 . 1 1 63 63 PRO HD2 H 1 3.584 0.02 . 2 . . . . . . . . 7260 1 718 . 1 1 63 63 PRO HD3 H 1 3.426 0.02 . 2 . . . . . . . . 7260 1 719 . 1 1 63 63 PRO C C 13 176.734 0.2 . 1 . . . . . . . . 7260 1 720 . 1 1 63 63 PRO CA C 13 64.000 0.2 . 1 . . . . . . . . 7260 1 721 . 1 1 63 63 PRO CB C 13 32.449 0.2 . 1 . . . . . . . . 7260 1 722 . 1 1 63 63 PRO CG C 13 29.445 0.2 . 1 . . . . . . . . 7260 1 723 . 1 1 63 63 PRO CD C 13 51.540 0.2 . 1 . . . . . . . . 7260 1 724 . 1 1 64 64 GLU H H 1 8.366 0.02 . 1 . . . . . . . . 7260 1 725 . 1 1 64 64 GLU HA H 1 4.494 0.02 . 1 . . . . . . . . 7260 1 726 . 1 1 64 64 GLU HB2 H 1 2.003 0.02 . 2 . . . . . . . . 7260 1 727 . 1 1 64 64 GLU HB3 H 1 1.837 0.02 . 2 . . . . . . . . 7260 1 728 . 1 1 64 64 GLU HG2 H 1 2.249 0.02 . 1 . . . . . . . . 7260 1 729 . 1 1 64 64 GLU HG3 H 1 2.249 0.02 . 1 . . . . . . . . 7260 1 730 . 1 1 64 64 GLU C C 13 174.484 0.2 . 1 . . . . . . . . 7260 1 731 . 1 1 64 64 GLU CA C 13 55.369 0.2 . 1 . . . . . . . . 7260 1 732 . 1 1 64 64 GLU CB C 13 34.091 0.2 . 1 . . . . . . . . 7260 1 733 . 1 1 64 64 GLU CG C 13 35.844 0.2 . 1 . . . . . . . . 7260 1 734 . 1 1 64 64 GLU N N 15 122.285 0.2 . 1 . . . . . . . . 7260 1 735 . 1 1 65 65 LEU H H 1 9.191 0.02 . 1 . . . . . . . . 7260 1 736 . 1 1 65 65 LEU HA H 1 4.904 0.02 . 1 . . . . . . . . 7260 1 737 . 1 1 65 65 LEU HB2 H 1 2.126 0.02 . 2 . . . . . . . . 7260 1 738 . 1 1 65 65 LEU HB3 H 1 1.834 0.02 . 2 . . . . . . . . 7260 1 739 . 1 1 65 65 LEU HG H 1 1.932 0.02 . 1 . . . . . . . . 7260 1 740 . 1 1 65 65 LEU HD11 H 1 1.114 0.02 . 1 . . . . . . . . 7260 1 741 . 1 1 65 65 LEU HD12 H 1 1.114 0.02 . 1 . . . . . . . . 7260 1 742 . 1 1 65 65 LEU HD13 H 1 1.114 0.02 . 1 . . . . . . . . 7260 1 743 . 1 1 65 65 LEU HD21 H 1 0.816 0.02 . 1 . . . . . . . . 7260 1 744 . 1 1 65 65 LEU HD22 H 1 0.816 0.02 . 1 . . . . . . . . 7260 1 745 . 1 1 65 65 LEU HD23 H 1 0.816 0.02 . 1 . . . . . . . . 7260 1 746 . 1 1 65 65 LEU C C 13 179.098 0.2 . 1 . . . . . . . . 7260 1 747 . 1 1 65 65 LEU CA C 13 56.645 0.2 . 1 . . . . . . . . 7260 1 748 . 1 1 65 65 LEU CB C 13 42.548 0.2 . 1 . . . . . . . . 7260 1 749 . 1 1 65 65 LEU CG C 13 31.357 0.2 . 1 . . . . . . . . 7260 1 750 . 1 1 65 65 LEU CD1 C 13 25.193 0.2 . 1 . . . . . . . . 7260 1 751 . 1 1 65 65 LEU CD2 C 13 26.006 0.2 . 1 . . . . . . . . 7260 1 752 . 1 1 65 65 LEU N N 15 123.396 0.2 . 1 . . . . . . . . 7260 1 753 . 1 1 66 66 THR H H 1 7.641 0.02 . 1 . . . . . . . . 7260 1 754 . 1 1 66 66 THR HA H 1 4.506 0.02 . 1 . . . . . . . . 7260 1 755 . 1 1 66 66 THR HB H 1 4.767 0.02 . 1 . . . . . . . . 7260 1 756 . 1 1 66 66 THR HG1 H 1 5.61 0.02 . 1 . . . . . . . . 7260 1 757 . 1 1 66 66 THR HG21 H 1 1.012 0.02 . 1 . . . . . . . . 7260 1 758 . 1 1 66 66 THR HG22 H 1 1.012 0.02 . 1 . . . . . . . . 7260 1 759 . 1 1 66 66 THR HG23 H 1 1.012 0.02 . 1 . . . . . . . . 7260 1 760 . 1 1 66 66 THR C C 13 175.516 0.2 . 1 . . . . . . . . 7260 1 761 . 1 1 66 66 THR CA C 13 59.797 0.2 . 1 . . . . . . . . 7260 1 762 . 1 1 66 66 THR CB C 13 71.439 0.2 . 1 . . . . . . . . 7260 1 763 . 1 1 66 66 THR CG2 C 13 21.872 0.2 . 1 . . . . . . . . 7260 1 764 . 1 1 66 66 THR N N 15 111.376 0.2 . 1 . . . . . . . . 7260 1 765 . 1 1 67 67 GLU H H 1 9.075 0.02 . 1 . . . . . . . . 7260 1 766 . 1 1 67 67 GLU HA H 1 4.046 0.02 . 1 . . . . . . . . 7260 1 767 . 1 1 67 67 GLU HB2 H 1 2.075 0.02 . 2 . . . . . . . . 7260 1 768 . 1 1 67 67 GLU HB3 H 1 2.004 0.02 . 2 . . . . . . . . 7260 1 769 . 1 1 67 67 GLU HG2 H 1 2.358 0.02 . 2 . . . . . . . . 7260 1 770 . 1 1 67 67 GLU HG3 H 1 2.242 0.02 . 2 . . . . . . . . 7260 1 771 . 1 1 67 67 GLU C C 13 178.244 0.2 . 1 . . . . . . . . 7260 1 772 . 1 1 67 67 GLU CA C 13 60.354 0.2 . 1 . . . . . . . . 7260 1 773 . 1 1 67 67 GLU CB C 13 29.236 0.2 . 1 . . . . . . . . 7260 1 774 . 1 1 67 67 GLU CG C 13 36.263 0.2 . 1 . . . . . . . . 7260 1 775 . 1 1 67 67 GLU N N 15 122.193 0.2 . 1 . . . . . . . . 7260 1 776 . 1 1 68 68 LYS H H 1 8.109 0.02 . 1 . . . . . . . . 7260 1 777 . 1 1 68 68 LYS HA H 1 4.085 0.02 . 1 . . . . . . . . 7260 1 778 . 1 1 68 68 LYS HB2 H 1 1.796 0.02 . 2 . . . . . . . . 7260 1 779 . 1 1 68 68 LYS HB3 H 1 1.542 0.02 . 2 . . . . . . . . 7260 1 780 . 1 1 68 68 LYS C C 13 180.541 0.2 . 1 . . . . . . . . 7260 1 781 . 1 1 68 68 LYS CA C 13 59.967 0.2 . 1 . . . . . . . . 7260 1 782 . 1 1 68 68 LYS CB C 13 33.155 0.2 . 1 . . . . . . . . 7260 1 783 . 1 1 68 68 LYS CG C 13 25.136 0.2 . 1 . . . . . . . . 7260 1 784 . 1 1 68 68 LYS CD C 13 29.745 0.2 . 1 . . . . . . . . 7260 1 785 . 1 1 68 68 LYS CE C 13 41.793 0.2 . 1 . . . . . . . . 7260 1 786 . 1 1 68 68 LYS N N 15 119.896 0.2 . 1 . . . . . . . . 7260 1 787 . 1 1 69 69 GLY H H 1 8.162 0.02 . 1 . . . . . . . . 7260 1 788 . 1 1 69 69 GLY HA2 H 1 4.433 0.02 . 2 . . . . . . . . 7260 1 789 . 1 1 69 69 GLY HA3 H 1 3.972 0.02 . 2 . . . . . . . . 7260 1 790 . 1 1 69 69 GLY C C 13 174.756 0.2 . 1 . . . . . . . . 7260 1 791 . 1 1 69 69 GLY CA C 13 48.423 0.2 . 1 . . . . . . . . 7260 1 792 . 1 1 69 69 GLY N N 15 109.062 0.2 . 1 . . . . . . . . 7260 1 793 . 1 1 70 70 GLU H H 1 8.762 0.02 . 1 . . . . . . . . 7260 1 794 . 1 1 70 70 GLU HA H 1 3.636 0.02 . 1 . . . . . . . . 7260 1 795 . 1 1 70 70 GLU HB2 H 1 2.143 0.02 . 2 . . . . . . . . 7260 1 796 . 1 1 70 70 GLU HB3 H 1 2.002 0.02 . 2 . . . . . . . . 7260 1 797 . 1 1 70 70 GLU HG2 H 1 2.376 0.02 . 2 . . . . . . . . 7260 1 798 . 1 1 70 70 GLU HG3 H 1 2.027 0.02 . 2 . . . . . . . . 7260 1 799 . 1 1 70 70 GLU C C 13 179.462 0.2 . 1 . . . . . . . . 7260 1 800 . 1 1 70 70 GLU CA C 13 60.485 0.2 . 1 . . . . . . . . 7260 1 801 . 1 1 70 70 GLU CB C 13 29.317 0.2 . 1 . . . . . . . . 7260 1 802 . 1 1 70 70 GLU CG C 13 37.265 0.2 . 1 . . . . . . . . 7260 1 803 . 1 1 70 70 GLU N N 15 122.699 0.2 . 1 . . . . . . . . 7260 1 804 . 1 1 71 71 ASN H H 1 8.536 0.02 . 1 . . . . . . . . 7260 1 805 . 1 1 71 71 ASN HA H 1 4.423 0.02 . 1 . . . . . . . . 7260 1 806 . 1 1 71 71 ASN HB2 H 1 2.890 0.02 . 2 . . . . . . . . 7260 1 807 . 1 1 71 71 ASN HB3 H 1 2.885 0.02 . 2 . . . . . . . . 7260 1 808 . 1 1 71 71 ASN HD21 H 1 7.649 0.02 . 2 . . . . . . . . 7260 1 809 . 1 1 71 71 ASN HD22 H 1 7.091 0.02 . 2 . . . . . . . . 7260 1 810 . 1 1 71 71 ASN C C 13 176.985 0.2 . 1 . . . . . . . . 7260 1 811 . 1 1 71 71 ASN CA C 13 56.340 0.2 . 1 . . . . . . . . 7260 1 812 . 1 1 71 71 ASN CB C 13 37.978 0.2 . 1 . . . . . . . . 7260 1 813 . 1 1 71 71 ASN N N 15 118.201 0.2 . 1 . . . . . . . . 7260 1 814 . 1 1 71 71 ASN ND2 N 15 112.880 0.2 . 1 . . . . . . . . 7260 1 815 . 1 1 72 72 TYR H H 1 8.033 0.02 . 1 . . . . . . . . 7260 1 816 . 1 1 72 72 TYR HA H 1 4.221 0.02 . 1 . . . . . . . . 7260 1 817 . 1 1 72 72 TYR HB2 H 1 3.109 0.02 . 2 . . . . . . . . 7260 1 818 . 1 1 72 72 TYR HB3 H 1 3.107 0.02 . 2 . . . . . . . . 7260 1 819 . 1 1 72 72 TYR HD1 H 1 6.895 0.02 . 1 . . . . . . . . 7260 1 820 . 1 1 72 72 TYR HD2 H 1 6.895 0.02 . 1 . . . . . . . . 7260 1 821 . 1 1 72 72 TYR HE1 H 1 6.722 0.02 . 1 . . . . . . . . 7260 1 822 . 1 1 72 72 TYR HE2 H 1 6.722 0.02 . 1 . . . . . . . . 7260 1 823 . 1 1 72 72 TYR C C 13 178.911 0.2 . 1 . . . . . . . . 7260 1 824 . 1 1 72 72 TYR CA C 13 61.657 0.2 . 1 . . . . . . . . 7260 1 825 . 1 1 72 72 TYR CB C 13 38.399 0.2 . 1 . . . . . . . . 7260 1 826 . 1 1 72 72 TYR CD1 C 13 133.5 0.2 . 1 . . . . . . . . 7260 1 827 . 1 1 72 72 TYR CD2 C 13 133.5 0.2 . 1 . . . . . . . . 7260 1 828 . 1 1 72 72 TYR CE1 C 13 117.5 0.2 . 1 . . . . . . . . 7260 1 829 . 1 1 72 72 TYR CE2 C 13 117.5 0.2 . 1 . . . . . . . . 7260 1 830 . 1 1 72 72 TYR N N 15 122.772 0.2 . 1 . . . . . . . . 7260 1 831 . 1 1 73 73 LEU H H 1 7.883 0.02 . 1 . . . . . . . . 7260 1 832 . 1 1 73 73 LEU HA H 1 4.024 0.02 . 1 . . . . . . . . 7260 1 833 . 1 1 73 73 LEU HB2 H 1 1.724 0.02 . 2 . . . . . . . . 7260 1 834 . 1 1 73 73 LEU HB3 H 1 1.374 0.02 . 2 . . . . . . . . 7260 1 835 . 1 1 73 73 LEU HG H 1 1.531 0.02 . 1 . . . . . . . . 7260 1 836 . 1 1 73 73 LEU HD11 H 1 0.374 0.02 . 1 . . . . . . . . 7260 1 837 . 1 1 73 73 LEU HD12 H 1 0.374 0.02 . 1 . . . . . . . . 7260 1 838 . 1 1 73 73 LEU HD13 H 1 0.374 0.02 . 1 . . . . . . . . 7260 1 839 . 1 1 73 73 LEU HD21 H 1 0.355 0.02 . 1 . . . . . . . . 7260 1 840 . 1 1 73 73 LEU HD22 H 1 0.355 0.02 . 1 . . . . . . . . 7260 1 841 . 1 1 73 73 LEU HD23 H 1 0.355 0.02 . 1 . . . . . . . . 7260 1 842 . 1 1 73 73 LEU C C 13 180.100 0.2 . 1 . . . . . . . . 7260 1 843 . 1 1 73 73 LEU CA C 13 58.216 0.2 . 1 . . . . . . . . 7260 1 844 . 1 1 73 73 LEU CB C 13 41.657 0.2 . 1 . . . . . . . . 7260 1 845 . 1 1 73 73 LEU CG C 13 26.121 0.2 . 1 . . . . . . . . 7260 1 846 . 1 1 73 73 LEU CD1 C 13 26.004 0.2 . 1 . . . . . . . . 7260 1 847 . 1 1 73 73 LEU CD2 C 13 24.286 0.2 . 1 . . . . . . . . 7260 1 848 . 1 1 73 73 LEU N N 15 118.868 0.2 . 1 . . . . . . . . 7260 1 849 . 1 1 74 74 LYS H H 1 7.743 0.02 . 1 . . . . . . . . 7260 1 850 . 1 1 74 74 LYS HA H 1 3.947 0.02 . 1 . . . . . . . . 7260 1 851 . 1 1 74 74 LYS HB2 H 1 1.895 0.02 . 2 . . . . . . . . 7260 1 852 . 1 1 74 74 LYS HB3 H 1 1.888 0.02 . 2 . . . . . . . . 7260 1 853 . 1 1 74 74 LYS C C 13 179.383 0.2 . 1 . . . . . . . . 7260 1 854 . 1 1 74 74 LYS CA C 13 59.295 0.2 . 1 . . . . . . . . 7260 1 855 . 1 1 74 74 LYS CB C 13 32.441 0.2 . 1 . . . . . . . . 7260 1 856 . 1 1 74 74 LYS N N 15 119.054 0.2 . 1 . . . . . . . . 7260 1 857 . 1 1 75 75 GLU H H 1 8.253 0.02 . 1 . . . . . . . . 7260 1 858 . 1 1 75 75 GLU HA H 1 4.043 0.02 . 1 . . . . . . . . 7260 1 859 . 1 1 75 75 GLU HB2 H 1 1.928 0.02 . 2 . . . . . . . . 7260 1 860 . 1 1 75 75 GLU HB3 H 1 1.931 0.02 . 2 . . . . . . . . 7260 1 861 . 1 1 75 75 GLU HG2 H 1 2.311 0.02 . 2 . . . . . . . . 7260 1 862 . 1 1 75 75 GLU HG3 H 1 2.191 0.02 . 2 . . . . . . . . 7260 1 863 . 1 1 75 75 GLU C C 13 177.061 0.2 . 1 . . . . . . . . 7260 1 864 . 1 1 75 75 GLU CA C 13 58.051 0.2 . 1 . . . . . . . . 7260 1 865 . 1 1 75 75 GLU CB C 13 29.691 0.2 . 1 . . . . . . . . 7260 1 866 . 1 1 75 75 GLU CG C 13 36.071 0.2 . 1 . . . . . . . . 7260 1 867 . 1 1 75 75 GLU N N 15 118.754 0.2 . 1 . . . . . . . . 7260 1 868 . 1 1 76 76 ASN H H 1 7.277 0.02 . 1 . . . . . . . . 7260 1 869 . 1 1 76 76 ASN HA H 1 4.614 0.02 . 1 . . . . . . . . 7260 1 870 . 1 1 76 76 ASN HB2 H 1 2.401 0.02 . 2 . . . . . . . . 7260 1 871 . 1 1 76 76 ASN HB3 H 1 2.202 0.02 . 2 . . . . . . . . 7260 1 872 . 1 1 76 76 ASN HD21 H 1 6.440 0.02 . 2 . . . . . . . . 7260 1 873 . 1 1 76 76 ASN HD22 H 1 6.254 0.02 . 2 . . . . . . . . 7260 1 874 . 1 1 76 76 ASN C C 13 174.689 0.2 . 1 . . . . . . . . 7260 1 875 . 1 1 76 76 ASN CA C 13 53.159 0.2 . 1 . . . . . . . . 7260 1 876 . 1 1 76 76 ASN CB C 13 39.158 0.2 . 1 . . . . . . . . 7260 1 877 . 1 1 76 76 ASN N N 15 116.704 0.2 . 1 . . . . . . . . 7260 1 878 . 1 1 76 76 ASN ND2 N 15 114.675 0.2 . 1 . . . . . . . . 7260 1 879 . 1 1 77 77 GLY H H 1 7.563 0.02 . 1 . . . . . . . . 7260 1 880 . 1 1 77 77 GLY CA C 13 47.320 0.2 . 1 . . . . . . . . 7260 1 881 . 1 1 77 77 GLY N N 15 106.631 0.2 . 1 . . . . . . . . 7260 1 882 . 1 1 77 77 GLY HA2 H 1 3.883 0.02 . 1 . . . . . . . . 7260 1 883 . 1 1 77 77 GLY HA3 H 1 4.033 0.02 . 1 . . . . . . . . 7260 1 884 . 1 1 77 77 GLY C C 13 175.842 0.2 . 1 . . . . . . . . 7260 1 885 . 1 1 78 78 THR H H 1 7.977 0.02 . 1 . . . . . . . . 7260 1 886 . 1 1 78 78 THR HA H 1 4.119 0.02 . 1 . . . . . . . . 7260 1 887 . 1 1 78 78 THR HB H 1 4.008 0.02 . 1 . . . . . . . . 7260 1 888 . 1 1 78 78 THR HG21 H 1 1.000 0.02 . 1 . . . . . . . . 7260 1 889 . 1 1 78 78 THR HG22 H 1 1.000 0.02 . 1 . . . . . . . . 7260 1 890 . 1 1 78 78 THR HG23 H 1 1.000 0.02 . 1 . . . . . . . . 7260 1 891 . 1 1 78 78 THR C C 13 175.957 0.2 . 1 . . . . . . . . 7260 1 892 . 1 1 78 78 THR CA C 13 64.189 0.2 . 1 . . . . . . . . 7260 1 893 . 1 1 78 78 THR CB C 13 68.628 0.2 . 1 . . . . . . . . 7260 1 894 . 1 1 78 78 THR CG2 C 13 21.463 0.2 . 1 . . . . . . . . 7260 1 895 . 1 1 78 78 THR N N 15 114.740 0.2 . 1 . . . . . . . . 7260 1 896 . 1 1 79 79 TRP H H 1 7.911 0.02 . 1 . . . . . . . . 7260 1 897 . 1 1 79 79 TRP HA H 1 4.747 0.02 . 1 . . . . . . . . 7260 1 898 . 1 1 79 79 TRP HB2 H 1 3.024 0.02 . 2 . . . . . . . . 7260 1 899 . 1 1 79 79 TRP HB3 H 1 2.648 0.02 . 2 . . . . . . . . 7260 1 900 . 1 1 79 79 TRP HD1 H 1 7.064 0.02 . 1 . . . . . . . . 7260 1 901 . 1 1 79 79 TRP HE1 H 1 10.047 0.02 . 1 . . . . . . . . 7260 1 902 . 1 1 79 79 TRP HE3 H 1 7.104 0.02 . 1 . . . . . . . . 7260 1 903 . 1 1 79 79 TRP HZ2 H 1 7.247 0.02 . 1 . . . . . . . . 7260 1 904 . 1 1 79 79 TRP HZ3 H 1 6.832 0.02 . 1 . . . . . . . . 7260 1 905 . 1 1 79 79 TRP HH2 H 1 6.934 0.02 . 1 . . . . . . . . 7260 1 906 . 1 1 79 79 TRP C C 13 176.780 0.2 . 1 . . . . . . . . 7260 1 907 . 1 1 79 79 TRP CA C 13 56.347 0.2 . 1 . . . . . . . . 7260 1 908 . 1 1 79 79 TRP CB C 13 28.966 0.2 . 1 . . . . . . . . 7260 1 909 . 1 1 79 79 TRP CD1 C 13 124.903 0.2 . 1 . . . . . . . . 7260 1 910 . 1 1 79 79 TRP CE3 C 13 121.986 0.2 . 1 . . . . . . . . 7260 1 911 . 1 1 79 79 TRP CZ2 C 13 114.337 0.2 . 1 . . . . . . . . 7260 1 912 . 1 1 79 79 TRP CZ3 C 13 121.514 0.2 . 1 . . . . . . . . 7260 1 913 . 1 1 79 79 TRP CH2 C 13 124.829 0.2 . 1 . . . . . . . . 7260 1 914 . 1 1 79 79 TRP N N 15 122.182 0.2 . 1 . . . . . . . . 7260 1 915 . 1 1 79 79 TRP NE1 N 15 127.848 0.2 . 1 . . . . . . . . 7260 1 916 . 1 1 80 80 SER H H 1 7.844 0.02 . 1 . . . . . . . . 7260 1 917 . 1 1 80 80 SER HA H 1 4.282 0.02 . 1 . . . . . . . . 7260 1 918 . 1 1 80 80 SER HB2 H 1 3.943 0.02 . 2 . . . . . . . . 7260 1 919 . 1 1 80 80 SER HB3 H 1 3.941 0.02 . 2 . . . . . . . . 7260 1 920 . 1 1 80 80 SER CA C 13 60.917 0.2 . 1 . . . . . . . . 7260 1 921 . 1 1 80 80 SER CB C 13 63.351 0.2 . 1 . . . . . . . . 7260 1 922 . 1 1 80 80 SER N N 15 116.105 0.2 . 1 . . . . . . . . 7260 1 923 . 1 1 83 83 TYR HA H 1 4.514 0.02 . 1 . . . . . . . . 7260 1 924 . 1 1 83 83 TYR HB2 H 1 2.688 0.02 . 2 . . . . . . . . 7260 1 925 . 1 1 83 83 TYR HB3 H 1 2.683 0.02 . 2 . . . . . . . . 7260 1 926 . 1 1 83 83 TYR C C 13 177.718 0.2 . 1 . . . . . . . . 7260 1 927 . 1 1 83 83 TYR CA C 13 56.433 0.2 . 1 . . . . . . . . 7260 1 928 . 1 1 83 83 TYR CB C 13 40.781 0.2 . 1 . . . . . . . . 7260 1 929 . 1 1 84 84 LYS H H 1 7.939 0.02 . 1 . . . . . . . . 7260 1 930 . 1 1 84 84 LYS CA C 13 60.695 0.2 . 1 . . . . . . . . 7260 1 931 . 1 1 84 84 LYS CB C 13 28.379 0.2 . 1 . . . . . . . . 7260 1 932 . 1 1 84 84 LYS N N 15 122.630 0.2 . 1 . . . . . . . . 7260 1 933 . 1 1 85 85 THR H H 1 7.896 0.02 . 1 . . . . . . . . 7260 1 934 . 1 1 85 85 THR HB H 1 4.485 0.02 . 1 . . . . . . . . 7260 1 935 . 1 1 85 85 THR HG21 H 1 1.212 0.02 . 1 . . . . . . . . 7260 1 936 . 1 1 85 85 THR HG22 H 1 1.212 0.02 . 1 . . . . . . . . 7260 1 937 . 1 1 85 85 THR HG23 H 1 1.212 0.02 . 1 . . . . . . . . 7260 1 938 . 1 1 85 85 THR CB C 13 71.816 0.2 . 1 . . . . . . . . 7260 1 939 . 1 1 85 85 THR CG2 C 13 21.618 0.2 . 1 . . . . . . . . 7260 1 940 . 1 1 85 85 THR N N 15 110.774 0.2 . 1 . . . . . . . . 7260 1 941 . 1 1 86 86 ILE HB H 1 1.820 0.02 . 1 . . . . . . . . 7260 1 942 . 1 1 86 86 ILE HG21 H 1 0.771 0.02 . 1 . . . . . . . . 7260 1 943 . 1 1 86 86 ILE HG22 H 1 0.771 0.02 . 1 . . . . . . . . 7260 1 944 . 1 1 86 86 ILE HG23 H 1 0.771 0.02 . 1 . . . . . . . . 7260 1 945 . 1 1 86 86 ILE HD11 H 1 0.722 0.02 . 1 . . . . . . . . 7260 1 946 . 1 1 86 86 ILE HD12 H 1 0.722 0.02 . 1 . . . . . . . . 7260 1 947 . 1 1 86 86 ILE HD13 H 1 0.722 0.02 . 1 . . . . . . . . 7260 1 948 . 1 1 86 86 ILE C C 13 174.857 0.2 . 1 . . . . . . . . 7260 1 949 . 1 1 86 86 ILE CG2 C 13 17.80 0.2 . 1 . . . . . . . . 7260 1 950 . 1 1 86 86 ILE CD1 C 13 14.36 0.2 . 1 . . . . . . . . 7260 1 951 . 1 1 87 87 LYS CA C 13 57.644 0.2 . 1 . . . . . . . . 7260 1 952 . 1 1 87 87 LYS CB C 13 32.904 0.2 . 1 . . . . . . . . 7260 1 953 . 1 1 88 88 GLU H H 1 7.563 0.02 . 1 . . . . . . . . 7260 1 954 . 1 1 88 88 GLU HA H 1 4.180 0.02 . 1 . . . . . . . . 7260 1 955 . 1 1 88 88 GLU HB2 H 1 1.526 0.02 . 2 . . . . . . . . 7260 1 956 . 1 1 88 88 GLU HB3 H 1 1.446 0.02 . 2 . . . . . . . . 7260 1 957 . 1 1 88 88 GLU HG2 H 1 1.540 0.02 . 2 . . . . . . . . 7260 1 958 . 1 1 88 88 GLU HG3 H 1 1.536 0.02 . 2 . . . . . . . . 7260 1 959 . 1 1 88 88 GLU CA C 13 55.677 0.2 . 1 . . . . . . . . 7260 1 960 . 1 1 88 88 GLU CB C 13 42.331 0.2 . 1 . . . . . . . . 7260 1 961 . 1 1 88 88 GLU N N 15 121.103 0.2 . 1 . . . . . . . . 7260 1 962 . 1 1 89 89 ILE HA H 1 3.875 0.02 . 1 . . . . . . . . 7260 1 963 . 1 1 89 89 ILE HB H 1 1.864 0.02 . 1 . . . . . . . . 7260 1 964 . 1 1 89 89 ILE HG12 H 1 1.525 0.02 . 2 . . . . . . . . 7260 1 965 . 1 1 89 89 ILE HG13 H 1 1.213 0.02 . 2 . . . . . . . . 7260 1 966 . 1 1 89 89 ILE HG21 H 1 0.900 0.02 . 1 . . . . . . . . 7260 1 967 . 1 1 89 89 ILE HG22 H 1 0.900 0.02 . 1 . . . . . . . . 7260 1 968 . 1 1 89 89 ILE HG23 H 1 0.900 0.02 . 1 . . . . . . . . 7260 1 969 . 1 1 89 89 ILE HD11 H 1 0.804 0.02 . 1 . . . . . . . . 7260 1 970 . 1 1 89 89 ILE HD12 H 1 0.804 0.02 . 1 . . . . . . . . 7260 1 971 . 1 1 89 89 ILE HD13 H 1 0.804 0.02 . 1 . . . . . . . . 7260 1 972 . 1 1 89 89 ILE CA C 13 63.36 0.2 . 1 . . . . . . . . 7260 1 973 . 1 1 89 89 ILE CB C 13 38.05 0.2 . 1 . . . . . . . . 7260 1 974 . 1 1 89 89 ILE CG1 C 13 28.28 0.2 . 1 . . . . . . . . 7260 1 975 . 1 1 89 89 ILE CG2 C 13 17.71 0.2 . 1 . . . . . . . . 7260 1 976 . 1 1 89 89 ILE CD1 C 13 13.92 0.2 . 1 . . . . . . . . 7260 1 977 . 1 1 90 90 LYS H H 1 8.724 0.02 . 1 . . . . . . . . 7260 1 978 . 1 1 90 90 LYS HA H 1 3.756 0.02 . 1 . . . . . . . . 7260 1 979 . 1 1 90 90 LYS HB2 H 1 1.696 0.02 . 2 . . . . . . . . 7260 1 980 . 1 1 90 90 LYS HB3 H 1 1.598 0.02 . 2 . . . . . . . . 7260 1 981 . 1 1 90 90 LYS HG2 H 1 1.380 0.02 . 2 . . . . . . . . 7260 1 982 . 1 1 90 90 LYS HG3 H 1 1.282 0.02 . 2 . . . . . . . . 7260 1 983 . 1 1 90 90 LYS HD2 H 1 1.555 0.02 . 2 . . . . . . . . 7260 1 984 . 1 1 90 90 LYS HD3 H 1 1.578 0.02 . 2 . . . . . . . . 7260 1 985 . 1 1 90 90 LYS HE2 H 1 2.899 0.02 . 2 . . . . . . . . 7260 1 986 . 1 1 90 90 LYS HE3 H 1 2.892 0.02 . 2 . . . . . . . . 7260 1 987 . 1 1 90 90 LYS C C 13 177.748 0.2 . 1 . . . . . . . . 7260 1 988 . 1 1 90 90 LYS CA C 13 60.042 0.2 . 1 . . . . . . . . 7260 1 989 . 1 1 90 90 LYS CB C 13 32.156 0.2 . 1 . . . . . . . . 7260 1 990 . 1 1 90 90 LYS CG C 13 25.379 0.2 . 1 . . . . . . . . 7260 1 991 . 1 1 90 90 LYS CD C 13 29.485 0.2 . 1 . . . . . . . . 7260 1 992 . 1 1 90 90 LYS CE C 13 42.023 0.2 . 1 . . . . . . . . 7260 1 993 . 1 1 90 90 LYS N N 15 125.553 0.2 . 1 . . . . . . . . 7260 1 994 . 1 1 91 91 ASP H H 1 7.913 0.02 . 1 . . . . . . . . 7260 1 995 . 1 1 91 91 ASP CA C 13 57.991 0.2 . 1 . . . . . . . . 7260 1 996 . 1 1 91 91 ASP CB C 13 40.135 0.2 . 1 . . . . . . . . 7260 1 997 . 1 1 91 91 ASP N N 15 119.310 0.2 . 1 . . . . . . . . 7260 1 998 . 1 1 92 92 TRP N N 15 120.5 0.2 . 1 . . . . . . . . 7260 1 999 . 1 1 92 92 TRP H H 1 7.538 0.02 . 1 . . . . . . . . 7260 1 1000 . 1 1 92 92 TRP HD1 H 1 7.251 0.02 . 1 . . . . . . . . 7260 1 1001 . 1 1 92 92 TRP HE1 H 1 10.141 0.02 . 1 . . . . . . . . 7260 1 1002 . 1 1 92 92 TRP HZ2 H 1 7.248 0.02 . 1 . . . . . . . . 7260 1 1003 . 1 1 92 92 TRP HZ3 H 1 7.100 0.02 . 1 . . . . . . . . 7260 1 1004 . 1 1 92 92 TRP HH2 H 1 6.695 0.02 . 1 . . . . . . . . 7260 1 1005 . 1 1 92 92 TRP HE3 H 1 7.275 0.02 . 1 . . . . . . . . 7260 1 1006 . 1 1 92 92 TRP CE3 C 13 120.0 0.2 . 1 . . . . . . . . 7260 1 1007 . 1 1 92 92 TRP CD1 C 13 126.665 0.2 . 1 . . . . . . . . 7260 1 1008 . 1 1 92 92 TRP CZ2 C 13 114.3 0.2 . 1 . . . . . . . . 7260 1 1009 . 1 1 92 92 TRP CZ3 C 13 122.0 0.2 . 1 . . . . . . . . 7260 1 1010 . 1 1 92 92 TRP CH2 C 13 124.4 0.2 . 1 . . . . . . . . 7260 1 1011 . 1 1 92 92 TRP NE1 N 15 129.882 0.2 . 1 . . . . . . . . 7260 1 1012 . 1 1 93 93 ILE HB H 1 1.850 0.02 . 1 . . . . . . . . 7260 1 1013 . 1 1 93 93 ILE HG21 H 1 0.698 0.02 . 1 . . . . . . . . 7260 1 1014 . 1 1 93 93 ILE HG22 H 1 0.698 0.02 . 1 . . . . . . . . 7260 1 1015 . 1 1 93 93 ILE HG23 H 1 0.698 0.02 . 1 . . . . . . . . 7260 1 1016 . 1 1 93 93 ILE CG2 C 13 17.60 0.2 . 1 . . . . . . . . 7260 1 1017 . 1 1 96 96 GLU CA C 13 55.25 0.2 . 1 . . . . . . . . 7260 1 1018 . 1 1 96 96 GLU CB C 13 32.98 0.2 . 1 . . . . . . . . 7260 1 1019 . 1 1 96 96 GLU CG C 13 30.95 0.2 . 1 . . . . . . . . 7260 1 1020 . 1 1 96 96 GLU HA H 1 3.870 0.02 . 1 . . . . . . . . 7260 1 1021 . 1 1 96 96 GLU HB2 H 1 2.015 0.02 . 2 . . . . . . . . 7260 1 1022 . 1 1 96 96 GLU HB3 H 1 2.025 0.02 . 2 . . . . . . . . 7260 1 1023 . 1 1 96 96 GLU HG2 H 1 2.360 0.02 . 2 . . . . . . . . 7260 1 1024 . 1 1 96 96 GLU HG3 H 1 2.370 0.02 . 2 . . . . . . . . 7260 1 stop_ save_