data_18283 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18283 _Entry.Title ; Assignment of E coli periplasmic protein YmgD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-02-20 _Entry.Accession_date 2012-02-20 _Entry.Last_release_date 2013-04-15 _Entry.Original_release_date 2013-04-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kuen-Phon Wu . . . 18283 2 Masayori Inouye . . . 18283 3 Jean Baum . . . 18283 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Rober Wood Johnson Medical School, UMDNJ' . 18283 2 . 'Rutgers University' . 18283 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18283 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 342 18283 '15N chemical shifts' 96 18283 '1H chemical shifts' 596 18283 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 . . 2013-04-15 2012-02-20 original author . 18283 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LRV 'BMRB Entry Tracking System' 18283 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18283 _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 structure of homodimeric periplasmic protein YmgD in E. coli' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _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 Kuen-Phon Wu . . . 18283 1 2 Hisako Masuda . . . 18283 1 3 Shang-Te Hsu . D. . 18283 1 4 Jean Baum . . . 18283 1 5 Masayori Inouye . . . 18283 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID dimer 18283 1 periplasm 18283 1 YmgD 18283 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18283 _Assembly.ID 1 _Assembly.Name 'YmgD dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'YmgD, chain 1' 1 $YmgD A . yes native no no . . . 18283 1 2 'YmgD, chain 2' 1 $YmgD B . no native no no . . . 18283 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 17 17 SG . 1 . 1 CYS 68 68 SG . . . . . . . . . . 18283 1 2 disulfide single . 2 . 2 CYS 17 17 SG . 2 . 2 CYS 68 68 SG . . . . . . . . . . 18283 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YmgD _Entity.Sf_category entity _Entity.Sf_framecode YmgD _Entity.Entry_ID 18283 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YmgD _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 ; QDYNIKNGLPSETYITCAEA NEMAKTDSAQVAEIVAVMGN ASVASRDLKIEQSPELSAKV VEKLNQVCAKDPQMLLITAI DDTMRAIGKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LRM . "Assignment And Structure Of E Coli Periplasmic Protein Ymgd" . . . . . 100.00 90 100.00 100.00 7.14e-57 . . . . 18283 1 2 no PDB 2LRV . "Assignment Of E Coli Periplasmic Protein Ymgd" . . . . . 100.00 90 100.00 100.00 7.14e-57 . . . . 18283 1 3 no DBJ BAA36005 . "hypothetical protein [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 109 100.00 100.00 6.15e-57 . . . . 18283 1 4 no DBJ BAG76740 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 100.00 111 100.00 100.00 4.82e-57 . . . . 18283 1 5 no DBJ BAI24982 . "conserved predicted protein [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 109 100.00 100.00 6.15e-57 . . . . 18283 1 6 no DBJ BAI30108 . "conserved predicted protein [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 109 98.89 100.00 2.45e-56 . . . . 18283 1 7 no DBJ BAI35428 . "conserved predicted protein [Escherichia coli O111:H- str. 11128]" . . . . . 100.00 109 100.00 100.00 6.15e-57 . . . . 18283 1 8 no EMBL CAP75703 . "Uncharacterized protein ymgD [Escherichia coli LF82]" . . . . . 100.00 111 100.00 100.00 4.82e-57 . . . . 18283 1 9 no EMBL CAQ31672 . "predicted protein [Escherichia coli BL21(DE3)]" . . . . . 100.00 109 98.89 100.00 2.62e-56 . . . . 18283 1 10 no EMBL CAQ98049 . "conserved hypothetical protein [Escherichia coli IAI1]" . . . . . 100.00 109 100.00 100.00 6.15e-57 . . . . 18283 1 11 no EMBL CAR02560 . "conserved hypothetical protein [Escherichia coli S88]" . . . . . 100.00 109 100.00 100.00 6.15e-57 . . . . 18283 1 12 no EMBL CAR07513 . "conserved hypothetical protein [Escherichia coli ED1a]" . . . . . 100.00 109 100.00 100.00 6.15e-57 . . . . 18283 1 13 no GB AAC74255 . "uncharacterized protein b1171 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 109 100.00 100.00 6.15e-57 . . . . 18283 1 14 no GB AAN42775 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 111 100.00 100.00 4.82e-57 . . . . 18283 1 15 no GB AAN80081 . "Hypothetical protein ymgD precursor [Escherichia coli CFT073]" . . . . . 100.00 111 100.00 100.00 4.82e-57 . . . . 18283 1 16 no GB AAP16666 . "hypothetical protein S1244 [Shigella flexneri 2a str. 2457T]" . . . . . 100.00 111 100.00 100.00 4.82e-57 . . . . 18283 1 17 no GB AAZ87885 . "conserved hypothetical protein [Shigella sonnei Ss046]" . . . . . 100.00 111 100.00 100.00 4.82e-57 . . . . 18283 1 18 no REF NP_415689 . "uncharacterized protein b1171 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 109 100.00 100.00 6.15e-57 . . . . 18283 1 19 no REF NP_707068 . "hypothetical protein SF1158 [Shigella flexneri 2a str. 301]" . . . . . 100.00 111 100.00 100.00 4.82e-57 . . . . 18283 1 20 no REF WP_000219597 . "MULTISPECIES: hypothetical protein [Enterobacteriaceae]" . . . . . 100.00 94 100.00 100.00 5.80e-57 . . . . 18283 1 21 no REF WP_000531016 . "hypothetical protein, partial [Escherichia coli]" . . . . . 95.56 86 100.00 100.00 3.30e-53 . . . . 18283 1 22 no REF WP_000712685 . "hypothetical protein, partial [Escherichia coli]" . . . . . 97.78 107 100.00 100.00 1.18e-55 . . . . 18283 1 23 no SP P0AB46 . "RecName: Full=Uncharacterized protein YmgD; Flags: Precursor" . . . . . 100.00 109 100.00 100.00 6.15e-57 . . . . 18283 1 24 no SP P0AB47 . "RecName: Full=Uncharacterized protein YmgD; Flags: Precursor" . . . . . 100.00 109 100.00 100.00 6.15e-57 . . . . 18283 1 25 no SP P0AB48 . "RecName: Full=Uncharacterized protein YmgD; Flags: Precursor" . . . . . 100.00 109 100.00 100.00 6.15e-57 . . . . 18283 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 . GLN . 18283 1 2 . ASP . 18283 1 3 . TYR . 18283 1 4 . ASN . 18283 1 5 . ILE . 18283 1 6 . LYS . 18283 1 7 . ASN . 18283 1 8 . GLY . 18283 1 9 . LEU . 18283 1 10 . PRO . 18283 1 11 . SER . 18283 1 12 . GLU . 18283 1 13 . THR . 18283 1 14 . TYR . 18283 1 15 . ILE . 18283 1 16 . THR . 18283 1 17 . CYS . 18283 1 18 . ALA . 18283 1 19 . GLU . 18283 1 20 . ALA . 18283 1 21 . ASN . 18283 1 22 . GLU . 18283 1 23 . MET . 18283 1 24 . ALA . 18283 1 25 . LYS . 18283 1 26 . THR . 18283 1 27 . ASP . 18283 1 28 . SER . 18283 1 29 . ALA . 18283 1 30 . GLN . 18283 1 31 . VAL . 18283 1 32 . ALA . 18283 1 33 . GLU . 18283 1 34 . ILE . 18283 1 35 . VAL . 18283 1 36 . ALA . 18283 1 37 . VAL . 18283 1 38 . MET . 18283 1 39 . GLY . 18283 1 40 . ASN . 18283 1 41 . ALA . 18283 1 42 . SER . 18283 1 43 . VAL . 18283 1 44 . ALA . 18283 1 45 . SER . 18283 1 46 . ARG . 18283 1 47 . ASP . 18283 1 48 . LEU . 18283 1 49 . LYS . 18283 1 50 . ILE . 18283 1 51 . GLU . 18283 1 52 . GLN . 18283 1 53 . SER . 18283 1 54 . PRO . 18283 1 55 . GLU . 18283 1 56 . LEU . 18283 1 57 . SER . 18283 1 58 . ALA . 18283 1 59 . LYS . 18283 1 60 . VAL . 18283 1 61 . VAL . 18283 1 62 . GLU . 18283 1 63 . LYS . 18283 1 64 . LEU . 18283 1 65 . ASN . 18283 1 66 . GLN . 18283 1 67 . VAL . 18283 1 68 . CYS . 18283 1 69 . ALA . 18283 1 70 . LYS . 18283 1 71 . ASP . 18283 1 72 . PRO . 18283 1 73 . GLN . 18283 1 74 . MET . 18283 1 75 . LEU . 18283 1 76 . LEU . 18283 1 77 . ILE . 18283 1 78 . THR . 18283 1 79 . ALA . 18283 1 80 . ILE . 18283 1 81 . ASP . 18283 1 82 . ASP . 18283 1 83 . THR . 18283 1 84 . MET . 18283 1 85 . ARG . 18283 1 86 . ALA . 18283 1 87 . ILE . 18283 1 88 . GLY . 18283 1 89 . LYS . 18283 1 90 . LYS . 18283 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 . GLN 1 1 18283 1 . ASP 2 2 18283 1 . TYR 3 3 18283 1 . ASN 4 4 18283 1 . ILE 5 5 18283 1 . LYS 6 6 18283 1 . ASN 7 7 18283 1 . GLY 8 8 18283 1 . LEU 9 9 18283 1 . PRO 10 10 18283 1 . SER 11 11 18283 1 . GLU 12 12 18283 1 . THR 13 13 18283 1 . TYR 14 14 18283 1 . ILE 15 15 18283 1 . THR 16 16 18283 1 . CYS 17 17 18283 1 . ALA 18 18 18283 1 . GLU 19 19 18283 1 . ALA 20 20 18283 1 . ASN 21 21 18283 1 . GLU 22 22 18283 1 . MET 23 23 18283 1 . ALA 24 24 18283 1 . LYS 25 25 18283 1 . THR 26 26 18283 1 . ASP 27 27 18283 1 . SER 28 28 18283 1 . ALA 29 29 18283 1 . GLN 30 30 18283 1 . VAL 31 31 18283 1 . ALA 32 32 18283 1 . GLU 33 33 18283 1 . ILE 34 34 18283 1 . VAL 35 35 18283 1 . ALA 36 36 18283 1 . VAL 37 37 18283 1 . MET 38 38 18283 1 . GLY 39 39 18283 1 . ASN 40 40 18283 1 . ALA 41 41 18283 1 . SER 42 42 18283 1 . VAL 43 43 18283 1 . ALA 44 44 18283 1 . SER 45 45 18283 1 . ARG 46 46 18283 1 . ASP 47 47 18283 1 . LEU 48 48 18283 1 . LYS 49 49 18283 1 . ILE 50 50 18283 1 . GLU 51 51 18283 1 . GLN 52 52 18283 1 . SER 53 53 18283 1 . PRO 54 54 18283 1 . GLU 55 55 18283 1 . LEU 56 56 18283 1 . SER 57 57 18283 1 . ALA 58 58 18283 1 . LYS 59 59 18283 1 . VAL 60 60 18283 1 . VAL 61 61 18283 1 . GLU 62 62 18283 1 . LYS 63 63 18283 1 . LEU 64 64 18283 1 . ASN 65 65 18283 1 . GLN 66 66 18283 1 . VAL 67 67 18283 1 . CYS 68 68 18283 1 . ALA 69 69 18283 1 . LYS 70 70 18283 1 . ASP 71 71 18283 1 . PRO 72 72 18283 1 . GLN 73 73 18283 1 . MET 74 74 18283 1 . LEU 75 75 18283 1 . LEU 76 76 18283 1 . ILE 77 77 18283 1 . THR 78 78 18283 1 . ALA 79 79 18283 1 . ILE 80 80 18283 1 . ASP 81 81 18283 1 . ASP 82 82 18283 1 . THR 83 83 18283 1 . MET 84 84 18283 1 . ARG 85 85 18283 1 . ALA 86 86 18283 1 . ILE 87 87 18283 1 . GLY 88 88 18283 1 . LYS 89 89 18283 1 . LYS 90 90 18283 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 18283 _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 $YmgD . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli K12 . . . . . . . . . . . . . . . . . . . . 18283 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 18283 _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 $YmgD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET21c . . . . . . 18283 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CN-YmgD _Sample.Sf_category sample _Sample.Sf_framecode CN-YmgD _Sample.Entry_ID 18283 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'double labeled sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YmgD '[U-99% 13C; U-99% 15N]' . . 1 $YmgD . . 0.4 . . mM . . . . 18283 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18283 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18283 1 4 'Sodium acetate' 'natural abundance' . . . . . . 100 . . mM . . . . 18283 1 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 18283 1 stop_ save_ ####################### # Sample conditions # ####################### save_pH_5.0 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode pH_5.0 _Sample_condition_list.Entry_ID 18283 _Sample_condition_list.ID 1 _Sample_condition_list.Details '100 mM sodium acetate and 50 mM NaCl' 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' 0.05 . M 18283 1 pH 5 . pH 18283 1 pressure 1 . atm 18283 1 temperature 308 . K 18283 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18283 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18283 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18283 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18283 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18283 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18283 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18283 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18283 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 18283 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 18283 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $CN-YmgD isotropic . . 1 $pH_5.0 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18283 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $CN-YmgD isotropic . . 1 $pH_5.0 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18283 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $CN-YmgD isotropic . . 1 $pH_5.0 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18283 1 4 '3D HNCO' no . . . . . . . . . . 1 $CN-YmgD isotropic . . 1 $pH_5.0 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18283 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $CN-YmgD isotropic . . 1 $pH_5.0 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18283 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $CN-YmgD isotropic . . 1 $pH_5.0 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18283 1 7 '3D HNCACB' no . . . . . . . . . . 1 $CN-YmgD isotropic . . 1 $pH_5.0 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18283 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $CN-YmgD isotropic . . 1 $pH_5.0 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18283 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $CN-YmgD isotropic . . 1 $pH_5.0 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18283 1 10 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $CN-YmgD isotropic . . 1 $pH_5.0 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18283 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $CN-YmgD isotropic . . 1 $pH_5.0 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18283 1 12 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $CN-YmgD isotropic . . 1 $pH_5.0 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18283 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $CN-YmgD isotropic . . 1 $pH_5.0 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18283 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18283 _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 0.03 external indirect 0.251449530 . . . . . . . . . 18283 1 H 1 DSS 'methyl protons' . . . . ppm 0.03 external direct 1.000000000 . . . . . . . . . 18283 1 N 15 DSS 'methyl protons' . . . . ppm 0.03 external indirect 0.101329118 . . . . . . . . . 18283 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18283 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $pH_5.0 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18283 1 2 '2D 1H-13C HSQC' . . . 18283 1 4 '3D HNCO' . . . 18283 1 5 '3D HN(CA)CO' . . . 18283 1 6 '3D C(CO)NH' . . . 18283 1 7 '3D HNCACB' . . . 18283 1 8 '3D H(CCO)NH' . . . 18283 1 10 '3D CBCA(CO)NH' . . . 18283 1 11 '3D 1H-15N NOESY' . . . 18283 1 12 '3D 1H-15N TOCSY' . . . 18283 1 13 '3D 1H-13C NOESY' . . . 18283 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLN HA H 1 4.267 0.005 . 1 . . . . 1 Q HA . 18283 1 2 . 1 1 1 1 GLN HB2 H 1 1.947 0.005 . 2 . . . . 1 Q HB# . 18283 1 3 . 1 1 1 1 GLN HB3 H 1 1.947 0.005 . 2 . . . . 1 Q HB# . 18283 1 4 . 1 1 1 1 GLN HG2 H 1 2.347 0.005 . 2 . . . . 1 Q HG# . 18283 1 5 . 1 1 1 1 GLN HG3 H 1 2.347 0.005 . 2 . . . . 1 Q HG# . 18283 1 6 . 1 1 1 1 GLN HE22 H 1 6.787 0.005 . 2 . . . . 1 Q HE22 . 18283 1 7 . 1 1 1 1 GLN C C 13 177.162 0.05 . 1 . . . . 1 Q C . 18283 1 8 . 1 1 1 1 GLN CA C 13 59.520 0.108 . 1 . . . . 1 Q CA . 18283 1 9 . 1 1 1 1 GLN CB C 13 27.800 0.053 . 1 . . . . 1 Q CB . 18283 1 10 . 1 1 1 1 GLN CG C 13 31.936 0.05 . 1 . . . . 1 Q CG . 18283 1 11 . 1 1 1 1 GLN NE2 N 15 109.976 0.05 . 1 . . . . 1 Q NE2 . 18283 1 12 . 1 1 2 2 ASP H H 1 8.324 0.004 . 1 . . . . 2 D H . 18283 1 13 . 1 1 2 2 ASP HA H 1 4.574 0.013 . 1 . . . . 2 D HA . 18283 1 14 . 1 1 2 2 ASP HB2 H 1 2.544 0.026 . 2 . . . . 2 D HB# . 18283 1 15 . 1 1 2 2 ASP HB3 H 1 2.544 0.026 . 2 . . . . 2 D HB# . 18283 1 16 . 1 1 2 2 ASP C C 13 175.354 0.059 . 1 . . . . 2 D C . 18283 1 17 . 1 1 2 2 ASP CA C 13 54.102 0.074 . 1 . . . . 2 D CA . 18283 1 18 . 1 1 2 2 ASP CB C 13 41.053 0.056 . 1 . . . . 2 D CB . 18283 1 19 . 1 1 2 2 ASP N N 15 120.838 0.116 . 1 . . . . 2 D N . 18283 1 20 . 1 1 3 3 TYR H H 1 8.140 0.003 . 1 . . . . 3 Y H . 18283 1 21 . 1 1 3 3 TYR HA H 1 4.473 0.023 . 1 . . . . 3 Y HA . 18283 1 22 . 1 1 3 3 TYR HB2 H 1 2.894 0.004 . 2 . . . . 3 Y HB# . 18283 1 23 . 1 1 3 3 TYR HB3 H 1 2.894 0.004 . 2 . . . . 3 Y HB# . 18283 1 24 . 1 1 3 3 TYR HD1 H 1 6.931 0.018 . 3 . . . . 3 Y HD# . 18283 1 25 . 1 1 3 3 TYR HD2 H 1 6.931 0.018 . 3 . . . . 3 Y HD# . 18283 1 26 . 1 1 3 3 TYR HE1 H 1 6.661 0.012 . 3 . . . . 3 Y HE# . 18283 1 27 . 1 1 3 3 TYR HE2 H 1 6.661 0.012 . 3 . . . . 3 Y HE# . 18283 1 28 . 1 1 3 3 TYR C C 13 174.769 0.055 . 1 . . . . 3 Y C . 18283 1 29 . 1 1 3 3 TYR CA C 13 57.671 0.039 . 1 . . . . 3 Y CA . 18283 1 30 . 1 1 3 3 TYR CB C 13 39.006 0.105 . 1 . . . . 3 Y CB . 18283 1 31 . 1 1 3 3 TYR N N 15 120.960 0.033 . 1 . . . . 3 Y N . 18283 1 32 . 1 1 4 4 ASN H H 1 8.216 0.003 . 1 . . . . 4 N H . 18283 1 33 . 1 1 4 4 ASN HA H 1 4.706 0.024 . 1 . . . . 4 N HA . 18283 1 34 . 1 1 4 4 ASN HB2 H 1 2.747 0.019 . 2 . . . . 4 N HB# . 18283 1 35 . 1 1 4 4 ASN HB3 H 1 2.747 0.019 . 2 . . . . 4 N HB# . 18283 1 36 . 1 1 4 4 ASN HD21 H 1 7.634 0.013 . 2 . . . . 4 N HD21 . 18283 1 37 . 1 1 4 4 ASN HD22 H 1 6.797 0.005 . 2 . . . . 4 N HD22 . 18283 1 38 . 1 1 4 4 ASN C C 13 175.662 0.05 . 1 . . . . 4 N C . 18283 1 39 . 1 1 4 4 ASN CA C 13 52.742 0.099 . 1 . . . . 4 N CA . 18283 1 40 . 1 1 4 4 ASN CB C 13 39.740 0.076 . 1 . . . . 4 N CB . 18283 1 41 . 1 1 4 4 ASN N N 15 122.518 0.030 . 1 . . . . 4 N N . 18283 1 42 . 1 1 4 4 ASN ND2 N 15 112.626 0.003 . 1 . . . . 4 N ND2 . 18283 1 43 . 1 1 5 5 ILE H H 1 8.598 0.011 . 1 . . . . 5 I H . 18283 1 44 . 1 1 5 5 ILE HA H 1 4.103 0.012 . 1 . . . . 5 I HA . 18283 1 45 . 1 1 5 5 ILE HB H 1 1.865 0.028 . 1 . . . . 5 I HB . 18283 1 46 . 1 1 5 5 ILE HG12 H 1 1.473 0.017 . 2 . . . . 5 I HG1# . 18283 1 47 . 1 1 5 5 ILE HG13 H 1 1.473 0.017 . 2 . . . . 5 I HG1# . 18283 1 48 . 1 1 5 5 ILE HG21 H 1 0.860 0.005 . 1 . . . . 5 I HG2# . 18283 1 49 . 1 1 5 5 ILE HG22 H 1 0.860 0.005 . 1 . . . . 5 I HG2# . 18283 1 50 . 1 1 5 5 ILE HG23 H 1 0.860 0.005 . 1 . . . . 5 I HG2# . 18283 1 51 . 1 1 5 5 ILE HD11 H 1 0.838 0.003 . 1 . . . . 5 I HD1# . 18283 1 52 . 1 1 5 5 ILE HD12 H 1 0.838 0.003 . 1 . . . . 5 I HD1# . 18283 1 53 . 1 1 5 5 ILE HD13 H 1 0.838 0.003 . 1 . . . . 5 I HD1# . 18283 1 54 . 1 1 5 5 ILE C C 13 175.763 0.037 . 1 . . . . 5 I C . 18283 1 55 . 1 1 5 5 ILE CA C 13 62.056 0.090 . 1 . . . . 5 I CA . 18283 1 56 . 1 1 5 5 ILE CB C 13 38.547 0.031 . 1 . . . . 5 I CB . 18283 1 57 . 1 1 5 5 ILE CG1 C 13 28.524 0.145 . 1 . . . . 5 I CG1 . 18283 1 58 . 1 1 5 5 ILE CG2 C 13 17.875 0.127 . 1 . . . . 5 I CG2 . 18283 1 59 . 1 1 5 5 ILE CD1 C 13 14.403 0.128 . 1 . . . . 5 I CD1 . 18283 1 60 . 1 1 5 5 ILE N N 15 123.297 0.019 . 1 . . . . 5 I N . 18283 1 61 . 1 1 6 6 LYS H H 1 8.053 0.008 . 1 . . . . 6 K H . 18283 1 62 . 1 1 6 6 LYS HA H 1 3.990 0.028 . 1 . . . . 6 K HA . 18283 1 63 . 1 1 6 6 LYS HB2 H 1 1.685 0.034 . 2 . . . . 6 K HB# . 18283 1 64 . 1 1 6 6 LYS HB3 H 1 1.685 0.034 . 2 . . . . 6 K HB# . 18283 1 65 . 1 1 6 6 LYS HG2 H 1 1.341 0.022 . 2 . . . . 6 K HG# . 18283 1 66 . 1 1 6 6 LYS HG3 H 1 1.341 0.022 . 2 . . . . 6 K HG# . 18283 1 67 . 1 1 6 6 LYS HE2 H 1 2.904 0.003 . 2 . . . . 6 K HE# . 18283 1 68 . 1 1 6 6 LYS HE3 H 1 2.904 0.003 . 2 . . . . 6 K HE# . 18283 1 69 . 1 1 6 6 LYS C C 13 177.324 0.055 . 1 . . . . 6 K C . 18283 1 70 . 1 1 6 6 LYS CA C 13 58.282 0.042 . 1 . . . . 6 K CA . 18283 1 71 . 1 1 6 6 LYS CB C 13 31.707 0.109 . 1 . . . . 6 K CB . 18283 1 72 . 1 1 6 6 LYS CG C 13 25.003 0.05 . 1 . . . . 6 K CG . 18283 1 73 . 1 1 6 6 LYS CD C 13 29.125 0.05 . 1 . . . . 6 K CD . 18283 1 74 . 1 1 6 6 LYS CE C 13 41.801 0.05 . 1 . . . . 6 K CE . 18283 1 75 . 1 1 6 6 LYS N N 15 121.049 0.049 . 1 . . . . 6 K N . 18283 1 76 . 1 1 7 7 ASN H H 1 7.971 0.004 . 1 . . . . 7 N H . 18283 1 77 . 1 1 7 7 ASN HA H 1 4.657 0.007 . 1 . . . . 7 N HA . 18283 1 78 . 1 1 7 7 ASN HB2 H 1 2.944 0.008 . 2 . . . . 7 N HB2 . 18283 1 79 . 1 1 7 7 ASN HB3 H 1 2.764 0.008 . 2 . . . . 7 N HB3 . 18283 1 80 . 1 1 7 7 ASN HD21 H 1 7.538 0.004 . 2 . . . . 7 N HD21 . 18283 1 81 . 1 1 7 7 ASN HD22 H 1 6.872 0.012 . 2 . . . . 7 N HD22 . 18283 1 82 . 1 1 7 7 ASN C C 13 175.303 0.057 . 1 . . . . 7 N C . 18283 1 83 . 1 1 7 7 ASN CA C 13 53.710 0.044 . 1 . . . . 7 N CA . 18283 1 84 . 1 1 7 7 ASN CB C 13 38.886 0.035 . 1 . . . . 7 N CB . 18283 1 85 . 1 1 7 7 ASN N N 15 115.902 0.056 . 1 . . . . 7 N N . 18283 1 86 . 1 1 7 7 ASN ND2 N 15 113.183 0.047 . 1 . . . . 7 N ND2 . 18283 1 87 . 1 1 8 8 GLY H H 1 7.874 0.003 . 1 . . . . 8 G H . 18283 1 88 . 1 1 8 8 GLY HA2 H 1 3.644 0.007 . 2 . . . . 8 G HA2 . 18283 1 89 . 1 1 8 8 GLY HA3 H 1 4.324 0.006 . 2 . . . . 8 G HA3 . 18283 1 90 . 1 1 8 8 GLY C C 13 172.597 0.029 . 1 . . . . 8 G C . 18283 1 91 . 1 1 8 8 GLY CA C 13 44.157 0.085 . 1 . . . . 8 G CA . 18283 1 92 . 1 1 8 8 GLY N N 15 108.174 0.033 . 1 . . . . 8 G N . 18283 1 93 . 1 1 9 9 LEU H H 1 8.308 0.011 . 1 . . . . 9 L H . 18283 1 94 . 1 1 9 9 LEU HA H 1 4.102 0.005 . 1 . . . . 9 L HA . 18283 1 95 . 1 1 9 9 LEU HB2 H 1 1.633 0.036 . 1 . . . . 9 L HB# . 18283 1 96 . 1 1 9 9 LEU HB3 H 1 1.633 0.036 . 1 . . . . 9 L HB# . 18283 1 97 . 1 1 9 9 LEU HG H 1 1.798 0.005 . 1 . . . . 9 L HG . 18283 1 98 . 1 1 9 9 LEU HD11 H 1 0.558 0.003 . 2 . . . . 9 L HD1# . 18283 1 99 . 1 1 9 9 LEU HD12 H 1 0.558 0.003 . 2 . . . . 9 L HD1# . 18283 1 100 . 1 1 9 9 LEU HD13 H 1 0.558 0.003 . 2 . . . . 9 L HD1# . 18283 1 101 . 1 1 9 9 LEU HD21 H 1 0.745 0.002 . 2 . . . . 9 L HD2# . 18283 1 102 . 1 1 9 9 LEU HD22 H 1 0.745 0.002 . 2 . . . . 9 L HD2# . 18283 1 103 . 1 1 9 9 LEU HD23 H 1 0.745 0.002 . 2 . . . . 9 L HD2# . 18283 1 104 . 1 1 9 9 LEU C C 13 174.597 0.05 . 1 . . . . 9 L C . 18283 1 105 . 1 1 9 9 LEU CA C 13 54.065 0.05 . 1 . . . . 9 L CA . 18283 1 106 . 1 1 9 9 LEU CD1 C 13 25.178 0.091 . 2 . . . . 9 L CD1 . 18283 1 107 . 1 1 9 9 LEU CD2 C 13 23.529 0.025 . 2 . . . . 9 L CD2 . 18283 1 108 . 1 1 9 9 LEU N N 15 120.296 0.038 . 1 . . . . 9 L N . 18283 1 109 . 1 1 10 10 PRO HA H 1 4.400 0.016 . 1 . . . . 10 P HA . 18283 1 110 . 1 1 10 10 PRO HB2 H 1 1.802 0.005 . 2 . . . . 10 P HB# . 18283 1 111 . 1 1 10 10 PRO HB3 H 1 1.802 0.005 . 2 . . . . 10 P HB# . 18283 1 112 . 1 1 10 10 PRO HD2 H 1 3.472 0.013 . 2 . . . . 10 P HD2 . 18283 1 113 . 1 1 10 10 PRO HD3 H 1 3.658 0.008 . 2 . . . . 10 P HD3 . 18283 1 114 . 1 1 10 10 PRO C C 13 178.808 0.031 . 1 . . . . 10 P C . 18283 1 115 . 1 1 10 10 PRO CA C 13 62.704 0.042 . 1 . . . . 10 P CA . 18283 1 116 . 1 1 10 10 PRO CB C 13 31.838 0.012 . 1 . . . . 10 P CB . 18283 1 117 . 1 1 10 10 PRO CG C 13 27.668 0.05 . 1 . . . . 10 P CG . 18283 1 118 . 1 1 10 10 PRO CD C 13 50.007 0.052 . 1 . . . . 10 P CD . 18283 1 119 . 1 1 11 11 SER H H 1 9.171 0.004 . 1 . . . . 11 S H . 18283 1 120 . 1 1 11 11 SER HA H 1 4.630 0.007 . 1 . . . . 11 S HA . 18283 1 121 . 1 1 11 11 SER HB2 H 1 3.942 0.018 . 2 . . . . 11 S HB2 . 18283 1 122 . 1 1 11 11 SER HB3 H 1 4.160 0.012 . 2 . . . . 11 S HB3 . 18283 1 123 . 1 1 11 11 SER HG H 1 5.439 0.006 . 1 . . . . 11 S HG . 18283 1 124 . 1 1 11 11 SER C C 13 176.944 0.058 . 1 . . . . 11 S C . 18283 1 125 . 1 1 11 11 SER CA C 13 62.287 0.05 . 1 . . . . 11 S CA . 18283 1 126 . 1 1 11 11 SER CB C 13 62.511 0.041 . 1 . . . . 11 S CB . 18283 1 127 . 1 1 11 11 SER N N 15 122.744 0.039 . 1 . . . . 11 S N . 18283 1 128 . 1 1 12 12 GLU H H 1 9.884 0.006 . 1 . . . . 12 E H . 18283 1 129 . 1 1 12 12 GLU HA H 1 3.977 0.003 . 1 . . . . 12 E HA . 18283 1 130 . 1 1 12 12 GLU HB2 H 1 1.852 0.015 . 2 . . . . 12 E HB# . 18283 1 131 . 1 1 12 12 GLU HB3 H 1 1.852 0.015 . 2 . . . . 12 E HB# . 18283 1 132 . 1 1 12 12 GLU HG2 H 1 2.345 0.013 . 2 . . . . 12 E HG# . 18283 1 133 . 1 1 12 12 GLU HG3 H 1 2.345 0.013 . 2 . . . . 12 E HG# . 18283 1 134 . 1 1 12 12 GLU C C 13 175.808 0.071 . 1 . . . . 12 E C . 18283 1 135 . 1 1 12 12 GLU CA C 13 59.772 0.048 . 1 . . . . 12 E CA . 18283 1 136 . 1 1 12 12 GLU CB C 13 28.675 0.095 . 1 . . . . 12 E CB . 18283 1 137 . 1 1 12 12 GLU CG C 13 36.245 0.05 . 1 . . . . 12 E CG . 18283 1 138 . 1 1 12 12 GLU N N 15 122.608 0.044 . 1 . . . . 12 E N . 18283 1 139 . 1 1 13 13 THR H H 1 7.630 0.005 . 1 . . . . 13 T H . 18283 1 140 . 1 1 13 13 THR HA H 1 3.397 0.014 . 1 . . . . 13 T HA . 18283 1 141 . 1 1 13 13 THR HG1 H 1 0.885 0.008 . 1 . . . . 13 T HG1 . 18283 1 142 . 1 1 13 13 THR HG21 H 1 0.916 0.007 . 1 . . . . 13 T HG2# . 18283 1 143 . 1 1 13 13 THR HG22 H 1 0.916 0.007 . 1 . . . . 13 T HG2# . 18283 1 144 . 1 1 13 13 THR HG23 H 1 0.916 0.007 . 1 . . . . 13 T HG2# . 18283 1 145 . 1 1 13 13 THR C C 13 174.372 0.075 . 1 . . . . 13 T C . 18283 1 146 . 1 1 13 13 THR CA C 13 66.121 0.05 . 1 . . . . 13 T CA . 18283 1 147 . 1 1 13 13 THR CB C 13 66.532 0.080 . 1 . . . . 13 T CB . 18283 1 148 . 1 1 13 13 THR CG2 C 13 24.064 0.244 . 1 . . . . 13 T CG2 . 18283 1 149 . 1 1 13 13 THR N N 15 109.998 0.027 . 1 . . . . 13 T N . 18283 1 150 . 1 1 14 14 TYR H H 1 7.350 0.002 . 1 . . . . 14 Y H . 18283 1 151 . 1 1 14 14 TYR HA H 1 4.250 0.009 . 1 . . . . 14 Y HA . 18283 1 152 . 1 1 14 14 TYR HB2 H 1 2.489 0.027 . 2 . . . . 14 Y HB# . 18283 1 153 . 1 1 14 14 TYR HB3 H 1 2.489 0.027 . 2 . . . . 14 Y HB# . 18283 1 154 . 1 1 14 14 TYR HD1 H 1 6.875 0.039 . 3 . . . . 14 Y HD# . 18283 1 155 . 1 1 14 14 TYR HD2 H 1 6.875 0.039 . 3 . . . . 14 Y HD# . 18283 1 156 . 1 1 14 14 TYR HE1 H 1 6.643 0.027 . 3 . . . . 14 Y HE# . 18283 1 157 . 1 1 14 14 TYR HE2 H 1 6.643 0.027 . 3 . . . . 14 Y HE# . 18283 1 158 . 1 1 14 14 TYR C C 13 174.598 0.076 . 1 . . . . 14 Y C . 18283 1 159 . 1 1 14 14 TYR CA C 13 58.618 0.154 . 1 . . . . 14 Y CA . 18283 1 160 . 1 1 14 14 TYR CB C 13 38.179 0.089 . 1 . . . . 14 Y CB . 18283 1 161 . 1 1 14 14 TYR N N 15 115.078 0.044 . 1 . . . . 14 Y N . 18283 1 162 . 1 1 15 15 ILE H H 1 7.122 0.010 . 1 . . . . 15 I H . 18283 1 163 . 1 1 15 15 ILE HA H 1 4.241 0.003 . 1 . . . . 15 I HA . 18283 1 164 . 1 1 15 15 ILE HB H 1 1.780 0.003 . 1 . . . . 15 I HB . 18283 1 165 . 1 1 15 15 ILE HG12 H 1 0.992 0.006 . 2 . . . . 15 I HG1# . 18283 1 166 . 1 1 15 15 ILE HG13 H 1 0.992 0.006 . 2 . . . . 15 I HG1# . 18283 1 167 . 1 1 15 15 ILE HG21 H 1 0.835 0.013 . 1 . . . . 15 I HG2# . 18283 1 168 . 1 1 15 15 ILE HG22 H 1 0.835 0.013 . 1 . . . . 15 I HG2# . 18283 1 169 . 1 1 15 15 ILE HG23 H 1 0.835 0.013 . 1 . . . . 15 I HG2# . 18283 1 170 . 1 1 15 15 ILE HD11 H 1 0.996 0.009 . 1 . . . . 15 I HD1# . 18283 1 171 . 1 1 15 15 ILE HD12 H 1 0.996 0.009 . 1 . . . . 15 I HD1# . 18283 1 172 . 1 1 15 15 ILE HD13 H 1 0.996 0.009 . 1 . . . . 15 I HD1# . 18283 1 173 . 1 1 15 15 ILE C C 13 177.050 0.058 . 1 . . . . 15 I C . 18283 1 174 . 1 1 15 15 ILE CA C 13 62.781 0.090 . 1 . . . . 15 I CA . 18283 1 175 . 1 1 15 15 ILE CB C 13 39.248 0.122 . 1 . . . . 15 I CB . 18283 1 176 . 1 1 15 15 ILE CG1 C 13 27.014 0.046 . 1 . . . . 15 I CG1 . 18283 1 177 . 1 1 15 15 ILE CD1 C 13 17.747 0.093 . 1 . . . . 15 I CD1 . 18283 1 178 . 1 1 15 15 ILE N N 15 120.166 0.036 . 1 . . . . 15 I N . 18283 1 179 . 1 1 16 16 THR H H 1 8.175 0.017 . 1 . . . . 16 T H . 18283 1 180 . 1 1 16 16 THR HA H 1 4.928 0.015 . 1 . . . . 16 T HA . 18283 1 181 . 1 1 16 16 THR HG1 H 1 1.200 0.005 . 1 . . . . 16 T HG1 . 18283 1 182 . 1 1 16 16 THR HG21 H 1 1.268 0.029 . 1 . . . . 16 T HG2# . 18283 1 183 . 1 1 16 16 THR HG22 H 1 1.268 0.029 . 1 . . . . 16 T HG2# . 18283 1 184 . 1 1 16 16 THR HG23 H 1 1.268 0.029 . 1 . . . . 16 T HG2# . 18283 1 185 . 1 1 16 16 THR C C 13 176.132 0.044 . 1 . . . . 16 T C . 18283 1 186 . 1 1 16 16 THR CA C 13 60.743 0.138 . 1 . . . . 16 T CA . 18283 1 187 . 1 1 16 16 THR CB C 13 72.461 0.061 . 1 . . . . 16 T CB . 18283 1 188 . 1 1 16 16 THR CG2 C 13 22.362 0.097 . 1 . . . . 16 T CG2 . 18283 1 189 . 1 1 16 16 THR N N 15 117.992 0.048 . 1 . . . . 16 T N . 18283 1 190 . 1 1 17 17 CYS H H 1 8.648 0.011 . 1 . . . . 17 C H . 18283 1 191 . 1 1 17 17 CYS HA H 1 4.520 0.005 . 1 . . . . 17 C HA . 18283 1 192 . 1 1 17 17 CYS C C 13 176.700 0.05 . 1 . . . . 17 C C . 18283 1 193 . 1 1 17 17 CYS CA C 13 62.363 0.068 . 1 . . . . 17 C CA . 18283 1 194 . 1 1 17 17 CYS CB C 13 37.468 0.033 . 1 . . . . 17 C CB . 18283 1 195 . 1 1 17 17 CYS N N 15 119.571 0.054 . 1 . . . . 17 C N . 18283 1 196 . 1 1 18 18 ALA H H 1 8.847 0.006 . 1 . . . . 18 A H . 18283 1 197 . 1 1 18 18 ALA HA H 1 4.377 0.009 . 1 . . . . 18 A HA . 18283 1 198 . 1 1 18 18 ALA HB1 H 1 1.673 0.013 . 1 . . . . 18 A HB# . 18283 1 199 . 1 1 18 18 ALA HB2 H 1 1.673 0.013 . 1 . . . . 18 A HB# . 18283 1 200 . 1 1 18 18 ALA HB3 H 1 1.673 0.013 . 1 . . . . 18 A HB# . 18283 1 201 . 1 1 18 18 ALA C C 13 180.803 0.042 . 1 . . . . 18 A C . 18283 1 202 . 1 1 18 18 ALA CA C 13 55.079 0.149 . 1 . . . . 18 A CA . 18283 1 203 . 1 1 18 18 ALA CB C 13 18.246 0.134 . 1 . . . . 18 A CB . 18283 1 204 . 1 1 18 18 ALA N N 15 121.398 0.063 . 1 . . . . 18 A N . 18283 1 205 . 1 1 19 19 GLU H H 1 7.923 0.004 . 1 . . . . 19 E H . 18283 1 206 . 1 1 19 19 GLU HA H 1 3.987 0.005 . 1 . . . . 19 E HA . 18283 1 207 . 1 1 19 19 GLU HB2 H 1 2.337 0.015 . 2 . . . . 19 E HB# . 18283 1 208 . 1 1 19 19 GLU HB3 H 1 2.337 0.015 . 2 . . . . 19 E HB# . 18283 1 209 . 1 1 19 19 GLU C C 13 179.259 0.059 . 1 . . . . 19 E C . 18283 1 210 . 1 1 19 19 GLU CA C 13 58.617 0.048 . 1 . . . . 19 E CA . 18283 1 211 . 1 1 19 19 GLU CB C 13 29.864 0.239 . 1 . . . . 19 E CB . 18283 1 212 . 1 1 19 19 GLU CG C 13 35.414 0.05 . 1 . . . . 19 E CG . 18283 1 213 . 1 1 19 19 GLU N N 15 119.189 0.039 . 1 . . . . 19 E N . 18283 1 214 . 1 1 20 20 ALA H H 1 8.716 0.005 . 1 . . . . 20 A H . 18283 1 215 . 1 1 20 20 ALA HA H 1 4.032 0.020 . 1 . . . . 20 A HA . 18283 1 216 . 1 1 20 20 ALA HB1 H 1 1.455 0.018 . 1 . . . . 20 A HB# . 18283 1 217 . 1 1 20 20 ALA HB2 H 1 1.455 0.018 . 1 . . . . 20 A HB# . 18283 1 218 . 1 1 20 20 ALA HB3 H 1 1.455 0.018 . 1 . . . . 20 A HB# . 18283 1 219 . 1 1 20 20 ALA C C 13 178.877 0.059 . 1 . . . . 20 A C . 18283 1 220 . 1 1 20 20 ALA CA C 13 55.178 0.115 . 1 . . . . 20 A CA . 18283 1 221 . 1 1 20 20 ALA CB C 13 18.224 0.151 . 1 . . . . 20 A CB . 18283 1 222 . 1 1 20 20 ALA N N 15 123.620 0.060 . 1 . . . . 20 A N . 18283 1 223 . 1 1 21 21 ASN H H 1 8.078 0.007 . 1 . . . . 21 N H . 18283 1 224 . 1 1 21 21 ASN HA H 1 4.324 0.015 . 1 . . . . 21 N HA . 18283 1 225 . 1 1 21 21 ASN HB2 H 1 2.853 0.020 . 2 . . . . 21 N HB2 . 18283 1 226 . 1 1 21 21 ASN HB3 H 1 2.760 0.005 . 2 . . . . 21 N HB3 . 18283 1 227 . 1 1 21 21 ASN HD21 H 1 7.494 0.005 . 2 . . . . 21 N HD21 . 18283 1 228 . 1 1 21 21 ASN HD22 H 1 6.764 0.014 . 2 . . . . 21 N HD22 . 18283 1 229 . 1 1 21 21 ASN CA C 13 55.030 0.153 . 1 . . . . 21 N CA . 18283 1 230 . 1 1 21 21 ASN CB C 13 38.523 0.092 . 1 . . . . 21 N CB . 18283 1 231 . 1 1 21 21 ASN N N 15 116.424 0.075 . 1 . . . . 21 N N . 18283 1 232 . 1 1 21 21 ASN ND2 N 15 111.716 0.001 . 1 . . . . 21 N ND2 . 18283 1 233 . 1 1 22 22 GLU H H 1 7.644 0.010 . 1 . . . . 22 E H . 18283 1 234 . 1 1 22 22 GLU HA H 1 4.061 0.008 . 1 . . . . 22 E HA . 18283 1 235 . 1 1 22 22 GLU HB2 H 1 2.050 0.028 . 2 . . . . 22 E HB# . 18283 1 236 . 1 1 22 22 GLU HB3 H 1 2.050 0.028 . 2 . . . . 22 E HB# . 18283 1 237 . 1 1 22 22 GLU HG2 H 1 2.338 0.010 . 2 . . . . 22 E HG# . 18283 1 238 . 1 1 22 22 GLU HG3 H 1 2.338 0.010 . 2 . . . . 22 E HG# . 18283 1 239 . 1 1 22 22 GLU C C 13 179.965 0.044 . 1 . . . . 22 E C . 18283 1 240 . 1 1 22 22 GLU CA C 13 58.828 0.176 . 1 . . . . 22 E CA . 18283 1 241 . 1 1 22 22 GLU CB C 13 29.233 0.018 . 1 . . . . 22 E CB . 18283 1 242 . 1 1 22 22 GLU CG C 13 35.328 0.05 . 1 . . . . 22 E CG . 18283 1 243 . 1 1 22 22 GLU N N 15 119.251 0.042 . 1 . . . . 22 E N . 18283 1 244 . 1 1 23 23 MET H H 1 8.605 0.015 . 1 . . . . 23 M H . 18283 1 245 . 1 1 23 23 MET HA H 1 3.998 0.002 . 1 . . . . 23 M HA . 18283 1 246 . 1 1 23 23 MET HB2 H 1 2.097 0.045 . 2 . . . . 23 M HB# . 18283 1 247 . 1 1 23 23 MET HB3 H 1 2.097 0.045 . 2 . . . . 23 M HB# . 18283 1 248 . 1 1 23 23 MET HG2 H 1 2.386 0.014 . 2 . . . . 23 M HG# . 18283 1 249 . 1 1 23 23 MET HG3 H 1 2.386 0.014 . 2 . . . . 23 M HG# . 18283 1 250 . 1 1 23 23 MET HE1 H 1 1.950 0.020 . 1 . . . . 23 M HE# . 18283 1 251 . 1 1 23 23 MET HE2 H 1 1.950 0.020 . 1 . . . . 23 M HE# . 18283 1 252 . 1 1 23 23 MET HE3 H 1 1.950 0.020 . 1 . . . . 23 M HE# . 18283 1 253 . 1 1 23 23 MET C C 13 177.818 0.05 . 1 . . . . 23 M C . 18283 1 254 . 1 1 23 23 MET CA C 13 58.800 0.047 . 1 . . . . 23 M CA . 18283 1 255 . 1 1 23 23 MET CB C 13 31.663 0.05 . 1 . . . . 23 M CB . 18283 1 256 . 1 1 23 23 MET CE C 13 16.407 0.078 . 1 . . . . 23 M CE . 18283 1 257 . 1 1 23 23 MET N N 15 121.533 0.038 . 1 . . . . 23 M N . 18283 1 258 . 1 1 24 24 ALA H H 1 8.100 0.008 . 1 . . . . 24 A H . 18283 1 259 . 1 1 24 24 ALA HA H 1 3.685 0.011 . 1 . . . . 24 A HA . 18283 1 260 . 1 1 24 24 ALA HB1 H 1 1.443 0.016 . 1 . . . . 24 A HB# . 18283 1 261 . 1 1 24 24 ALA HB2 H 1 1.443 0.016 . 1 . . . . 24 A HB# . 18283 1 262 . 1 1 24 24 ALA HB3 H 1 1.443 0.016 . 1 . . . . 24 A HB# . 18283 1 263 . 1 1 24 24 ALA C C 13 177.637 0.004 . 1 . . . . 24 A C . 18283 1 264 . 1 1 24 24 ALA CA C 13 54.095 0.072 . 1 . . . . 24 A CA . 18283 1 265 . 1 1 24 24 ALA CB C 13 18.081 0.022 . 1 . . . . 24 A CB . 18283 1 266 . 1 1 24 24 ALA N N 15 119.716 0.049 . 1 . . . . 24 A N . 18283 1 267 . 1 1 25 25 LYS H H 1 7.292 0.015 . 1 . . . . 25 K H . 18283 1 268 . 1 1 25 25 LYS HA H 1 4.053 0.012 . 1 . . . . 25 K HA . 18283 1 269 . 1 1 25 25 LYS HB2 H 1 1.944 0.016 . 2 . . . . 25 K HB# . 18283 1 270 . 1 1 25 25 LYS HB3 H 1 1.944 0.016 . 2 . . . . 25 K HB# . 18283 1 271 . 1 1 25 25 LYS HG2 H 1 1.374 0.005 . 2 . . . . 25 K HG# . 18283 1 272 . 1 1 25 25 LYS HG3 H 1 1.374 0.005 . 2 . . . . 25 K HG# . 18283 1 273 . 1 1 25 25 LYS HD2 H 1 1.701 0.014 . 2 . . . . 25 K HD# . 18283 1 274 . 1 1 25 25 LYS HD3 H 1 1.701 0.014 . 2 . . . . 25 K HD# . 18283 1 275 . 1 1 25 25 LYS HE2 H 1 2.940 0.005 . 2 . . . . 25 K HE# . 18283 1 276 . 1 1 25 25 LYS HE3 H 1 2.940 0.005 . 2 . . . . 25 K HE# . 18283 1 277 . 1 1 25 25 LYS C C 13 178.051 0.039 . 1 . . . . 25 K C . 18283 1 278 . 1 1 25 25 LYS CA C 13 58.796 0.051 . 1 . . . . 25 K CA . 18283 1 279 . 1 1 25 25 LYS CB C 13 32.885 0.059 . 1 . . . . 25 K CB . 18283 1 280 . 1 1 25 25 LYS CG C 13 25.612 0.05 . 1 . . . . 25 K CG . 18283 1 281 . 1 1 25 25 LYS CD C 13 29.276 0.05 . 1 . . . . 25 K CD . 18283 1 282 . 1 1 25 25 LYS CE C 13 42.562 0.05 . 1 . . . . 25 K CE . 18283 1 283 . 1 1 25 25 LYS N N 15 115.157 0.042 . 1 . . . . 25 K N . 18283 1 284 . 1 1 26 26 THR H H 1 7.232 0.010 . 1 . . . . 26 T H . 18283 1 285 . 1 1 26 26 THR HA H 1 4.426 0.013 . 1 . . . . 26 T HA . 18283 1 286 . 1 1 26 26 THR HB H 1 4.214 0.022 . 1 . . . . 26 T HB . 18283 1 287 . 1 1 26 26 THR HG21 H 1 1.176 0.018 . 1 . . . . 26 T HG2# . 18283 1 288 . 1 1 26 26 THR HG22 H 1 1.176 0.018 . 1 . . . . 26 T HG2# . 18283 1 289 . 1 1 26 26 THR HG23 H 1 1.176 0.018 . 1 . . . . 26 T HG2# . 18283 1 290 . 1 1 26 26 THR C C 13 174.676 0.064 . 1 . . . . 26 T C . 18283 1 291 . 1 1 26 26 THR CA C 13 62.370 0.080 . 1 . . . . 26 T CA . 18283 1 292 . 1 1 26 26 THR CB C 13 70.101 0.074 . 1 . . . . 26 T CB . 18283 1 293 . 1 1 26 26 THR CG2 C 13 21.935 0.030 . 1 . . . . 26 T CG2 . 18283 1 294 . 1 1 26 26 THR N N 15 107.348 0.068 . 1 . . . . 26 T N . 18283 1 295 . 1 1 27 27 ASP H H 1 8.563 0.006 . 1 . . . . 27 D H . 18283 1 296 . 1 1 27 27 ASP HA H 1 4.904 0.009 . 1 . . . . 27 D HA . 18283 1 297 . 1 1 27 27 ASP HB2 H 1 2.899 0.006 . 2 . . . . 27 D HB2 . 18283 1 298 . 1 1 27 27 ASP HB3 H 1 2.432 0.014 . 2 . . . . 27 D HB3 . 18283 1 299 . 1 1 27 27 ASP C C 13 175.115 0.038 . 1 . . . . 27 D C . 18283 1 300 . 1 1 27 27 ASP CA C 13 53.153 0.063 . 1 . . . . 27 D CA . 18283 1 301 . 1 1 27 27 ASP CB C 13 40.327 0.046 . 1 . . . . 27 D CB . 18283 1 302 . 1 1 27 27 ASP N N 15 123.695 0.031 . 1 . . . . 27 D N . 18283 1 303 . 1 1 28 28 SER H H 1 8.512 0.007 . 1 . . . . 28 S H . 18283 1 304 . 1 1 28 28 SER HA H 1 3.943 0.008 . 1 . . . . 28 S HA . 18283 1 305 . 1 1 28 28 SER HB2 H 1 3.223 0.005 . 2 . . . . 28 S HB# . 18283 1 306 . 1 1 28 28 SER HB3 H 1 3.223 0.005 . 2 . . . . 28 S HB# . 18283 1 307 . 1 1 28 28 SER C C 13 177.157 0.031 . 1 . . . . 28 S C . 18283 1 308 . 1 1 28 28 SER CA C 13 61.971 0.119 . 1 . . . . 28 S CA . 18283 1 309 . 1 1 28 28 SER CB C 13 61.957 0.155 . 1 . . . . 28 S CB . 18283 1 310 . 1 1 28 28 SER N N 15 119.003 0.042 . 1 . . . . 28 S N . 18283 1 311 . 1 1 29 29 ALA H H 1 8.515 0.004 . 1 . . . . 29 A H . 18283 1 312 . 1 1 29 29 ALA HA H 1 4.151 0.006 . 1 . . . . 29 A HA . 18283 1 313 . 1 1 29 29 ALA HB1 H 1 1.448 0.009 . 1 . . . . 29 A HB# . 18283 1 314 . 1 1 29 29 ALA HB2 H 1 1.448 0.009 . 1 . . . . 29 A HB# . 18283 1 315 . 1 1 29 29 ALA HB3 H 1 1.448 0.009 . 1 . . . . 29 A HB# . 18283 1 316 . 1 1 29 29 ALA C C 13 180.004 0.062 . 1 . . . . 29 A C . 18283 1 317 . 1 1 29 29 ALA CA C 13 56.210 0.198 . 1 . . . . 29 A CA . 18283 1 318 . 1 1 29 29 ALA CB C 13 17.936 0.136 . 1 . . . . 29 A CB . 18283 1 319 . 1 1 29 29 ALA N N 15 125.490 0.062 . 1 . . . . 29 A N . 18283 1 320 . 1 1 30 30 GLN H H 1 7.651 0.013 . 1 . . . . 30 Q H . 18283 1 321 . 1 1 30 30 GLN HA H 1 4.052 0.011 . 1 . . . . 30 Q HA . 18283 1 322 . 1 1 30 30 GLN HB2 H 1 1.891 0.005 . 2 . . . . 30 Q HB# . 18283 1 323 . 1 1 30 30 GLN HB3 H 1 1.891 0.005 . 2 . . . . 30 Q HB# . 18283 1 324 . 1 1 30 30 GLN HG2 H 1 2.210 0.024 . 2 . . . . 30 Q HG# . 18283 1 325 . 1 1 30 30 GLN HG3 H 1 2.210 0.024 . 2 . . . . 30 Q HG# . 18283 1 326 . 1 1 30 30 GLN HE21 H 1 7.406 0.009 . 2 . . . . 30 Q HE21 . 18283 1 327 . 1 1 30 30 GLN HE22 H 1 6.715 0.034 . 2 . . . . 30 Q HE22 . 18283 1 328 . 1 1 30 30 GLN C C 13 178.522 0.033 . 1 . . . . 30 Q C . 18283 1 329 . 1 1 30 30 GLN CA C 13 58.597 0.029 . 1 . . . . 30 Q CA . 18283 1 330 . 1 1 30 30 GLN CB C 13 28.486 0.079 . 1 . . . . 30 Q CB . 18283 1 331 . 1 1 30 30 GLN CG C 13 33.962 0.05 . 1 . . . . 30 Q CG . 18283 1 332 . 1 1 30 30 GLN N N 15 119.273 0.038 . 1 . . . . 30 Q N . 18283 1 333 . 1 1 30 30 GLN NE2 N 15 111.806 0.048 . 1 . . . . 30 Q NE2 . 18283 1 334 . 1 1 31 31 VAL H H 1 7.208 0.006 . 1 . . . . 31 V H . 18283 1 335 . 1 1 31 31 VAL HA H 1 3.549 0.023 . 1 . . . . 31 V HA . 18283 1 336 . 1 1 31 31 VAL HB H 1 1.867 0.005 . 1 . . . . 31 V HB . 18283 1 337 . 1 1 31 31 VAL HG11 H 1 0.766 0.025 . 2 . . . . 31 V HG1# . 18283 1 338 . 1 1 31 31 VAL HG12 H 1 0.766 0.025 . 2 . . . . 31 V HG1# . 18283 1 339 . 1 1 31 31 VAL HG13 H 1 0.766 0.025 . 2 . . . . 31 V HG1# . 18283 1 340 . 1 1 31 31 VAL HG21 H 1 0.880 0.011 . 2 . . . . 31 V HG2# . 18283 1 341 . 1 1 31 31 VAL HG22 H 1 0.880 0.011 . 2 . . . . 31 V HG2# . 18283 1 342 . 1 1 31 31 VAL HG23 H 1 0.880 0.011 . 2 . . . . 31 V HG2# . 18283 1 343 . 1 1 31 31 VAL C C 13 176.668 0.05 . 1 . . . . 31 V C . 18283 1 344 . 1 1 31 31 VAL CA C 13 66.871 0.103 . 1 . . . . 31 V CA . 18283 1 345 . 1 1 31 31 VAL CB C 13 31.663 0.019 . 1 . . . . 31 V CB . 18283 1 346 . 1 1 31 31 VAL CG1 C 13 20.548 0.060 . 2 . . . . 31 V CG1 . 18283 1 347 . 1 1 31 31 VAL CG2 C 13 20.972 0.05 . 2 . . . . 31 V CG2 . 18283 1 348 . 1 1 31 31 VAL N N 15 117.801 0.044 . 1 . . . . 31 V N . 18283 1 349 . 1 1 32 32 ALA H H 1 8.027 0.018 . 1 . . . . 32 A H . 18283 1 350 . 1 1 32 32 ALA HA H 1 3.993 0.010 . 1 . . . . 32 A HA . 18283 1 351 . 1 1 32 32 ALA HB1 H 1 1.446 0.009 . 1 . . . . 32 A HB# . 18283 1 352 . 1 1 32 32 ALA HB2 H 1 1.446 0.009 . 1 . . . . 32 A HB# . 18283 1 353 . 1 1 32 32 ALA HB3 H 1 1.446 0.009 . 1 . . . . 32 A HB# . 18283 1 354 . 1 1 32 32 ALA C C 13 180.554 0.050 . 1 . . . . 32 A C . 18283 1 355 . 1 1 32 32 ALA CA C 13 55.279 0.075 . 1 . . . . 32 A CA . 18283 1 356 . 1 1 32 32 ALA CB C 13 17.674 0.045 . 1 . . . . 32 A CB . 18283 1 357 . 1 1 32 32 ALA N N 15 121.184 0.059 . 1 . . . . 32 A N . 18283 1 358 . 1 1 33 33 GLU H H 1 7.645 0.008 . 1 . . . . 33 E H . 18283 1 359 . 1 1 33 33 GLU HA H 1 4.106 0.010 . 1 . . . . 33 E HA . 18283 1 360 . 1 1 33 33 GLU HB2 H 1 2.256 0.028 . 2 . . . . 33 E HB# . 18283 1 361 . 1 1 33 33 GLU HB3 H 1 2.256 0.028 . 2 . . . . 33 E HB# . 18283 1 362 . 1 1 33 33 GLU C C 13 177.928 0.042 . 1 . . . . 33 E C . 18283 1 363 . 1 1 33 33 GLU CA C 13 59.005 0.107 . 1 . . . . 33 E CA . 18283 1 364 . 1 1 33 33 GLU CB C 13 29.203 0.091 . 1 . . . . 33 E CB . 18283 1 365 . 1 1 33 33 GLU CG C 13 35.039 0.05 . 1 . . . . 33 E CG . 18283 1 366 . 1 1 33 33 GLU N N 15 118.590 0.036 . 1 . . . . 33 E N . 18283 1 367 . 1 1 34 34 ILE H H 1 7.747 0.011 . 1 . . . . 34 I H . 18283 1 368 . 1 1 34 34 ILE HA H 1 3.495 0.013 . 1 . . . . 34 I HA . 18283 1 369 . 1 1 34 34 ILE HB H 1 1.904 0.002 . 1 . . . . 34 I HB . 18283 1 370 . 1 1 34 34 ILE HG12 H 1 1.067 0.223 . 2 . . . . 34 I HG1# . 18283 1 371 . 1 1 34 34 ILE HG13 H 1 1.067 0.223 . 2 . . . . 34 I HG1# . 18283 1 372 . 1 1 34 34 ILE HG21 H 1 0.891 0.005 . 1 . . . . 34 I HG2# . 18283 1 373 . 1 1 34 34 ILE HG22 H 1 0.891 0.005 . 1 . . . . 34 I HG2# . 18283 1 374 . 1 1 34 34 ILE HG23 H 1 0.891 0.005 . 1 . . . . 34 I HG2# . 18283 1 375 . 1 1 34 34 ILE HD11 H 1 0.812 0.009 . 1 . . . . 34 I HD1# . 18283 1 376 . 1 1 34 34 ILE HD12 H 1 0.812 0.009 . 1 . . . . 34 I HD1# . 18283 1 377 . 1 1 34 34 ILE HD13 H 1 0.812 0.009 . 1 . . . . 34 I HD1# . 18283 1 378 . 1 1 34 34 ILE C C 13 177.404 0.098 . 1 . . . . 34 I C . 18283 1 379 . 1 1 34 34 ILE CA C 13 66.120 0.045 . 1 . . . . 34 I CA . 18283 1 380 . 1 1 34 34 ILE CB C 13 38.532 0.132 . 1 . . . . 34 I CB . 18283 1 381 . 1 1 34 34 ILE CG1 C 13 28.539 0.05 . 1 . . . . 34 I CG1 . 18283 1 382 . 1 1 34 34 ILE CG2 C 13 17.683 0.168 . 1 . . . . 34 I CG2 . 18283 1 383 . 1 1 34 34 ILE CD1 C 13 13.975 0.093 . 1 . . . . 34 I CD1 . 18283 1 384 . 1 1 34 34 ILE N N 15 120.581 0.046 . 1 . . . . 34 I N . 18283 1 385 . 1 1 35 35 VAL H H 1 8.478 0.006 . 1 . . . . 35 V H . 18283 1 386 . 1 1 35 35 VAL HA H 1 3.963 0.017 . 1 . . . . 35 V HA . 18283 1 387 . 1 1 35 35 VAL HB H 1 1.972 0.028 . 1 . . . . 35 V HB . 18283 1 388 . 1 1 35 35 VAL HG11 H 1 1.098 0.059 . 2 . . . . 35 V HG1# . 18283 1 389 . 1 1 35 35 VAL HG12 H 1 1.098 0.059 . 2 . . . . 35 V HG1# . 18283 1 390 . 1 1 35 35 VAL HG13 H 1 1.098 0.059 . 2 . . . . 35 V HG1# . 18283 1 391 . 1 1 35 35 VAL CA C 13 65.774 0.144 . 1 . . . . 35 V CA . 18283 1 392 . 1 1 35 35 VAL CB C 13 31.313 0.05 . 1 . . . . 35 V CB . 18283 1 393 . 1 1 35 35 VAL CG1 C 13 21.824 0.470 . 2 . . . . 35 V CG1 . 18283 1 394 . 1 1 35 35 VAL N N 15 118.807 0.051 . 1 . . . . 35 V N . 18283 1 395 . 1 1 36 36 ALA H H 1 7.936 0.016 . 1 . . . . 36 A H . 18283 1 396 . 1 1 36 36 ALA HA H 1 4.070 0.008 . 1 . . . . 36 A HA . 18283 1 397 . 1 1 36 36 ALA HB1 H 1 1.453 0.014 . 1 . . . . 36 A HB# . 18283 1 398 . 1 1 36 36 ALA HB2 H 1 1.453 0.014 . 1 . . . . 36 A HB# . 18283 1 399 . 1 1 36 36 ALA HB3 H 1 1.453 0.014 . 1 . . . . 36 A HB# . 18283 1 400 . 1 1 36 36 ALA C C 13 179.939 0.098 . 1 . . . . 36 A C . 18283 1 401 . 1 1 36 36 ALA CA C 13 55.213 0.063 . 1 . . . . 36 A CA . 18283 1 402 . 1 1 36 36 ALA CB C 13 17.924 0.127 . 1 . . . . 36 A CB . 18283 1 403 . 1 1 36 36 ALA N N 15 122.226 0.048 . 1 . . . . 36 A N . 18283 1 404 . 1 1 37 37 VAL H H 1 8.120 0.011 . 1 . . . . 37 V H . 18283 1 405 . 1 1 37 37 VAL HA H 1 3.713 0.026 . 1 . . . . 37 V HA . 18283 1 406 . 1 1 37 37 VAL HB H 1 2.075 0.016 . 1 . . . . 37 V HB . 18283 1 407 . 1 1 37 37 VAL HG11 H 1 1.049 0.026 . 2 . . . . 37 V HG1# . 18283 1 408 . 1 1 37 37 VAL HG12 H 1 1.049 0.026 . 2 . . . . 37 V HG1# . 18283 1 409 . 1 1 37 37 VAL HG13 H 1 1.049 0.026 . 2 . . . . 37 V HG1# . 18283 1 410 . 1 1 37 37 VAL HG21 H 1 0.981 0.009 . 2 . . . . 37 V HG2# . 18283 1 411 . 1 1 37 37 VAL HG22 H 1 0.981 0.009 . 2 . . . . 37 V HG2# . 18283 1 412 . 1 1 37 37 VAL HG23 H 1 0.981 0.009 . 2 . . . . 37 V HG2# . 18283 1 413 . 1 1 37 37 VAL C C 13 179.756 0.029 . 1 . . . . 37 V C . 18283 1 414 . 1 1 37 37 VAL CA C 13 66.500 0.056 . 1 . . . . 37 V CA . 18283 1 415 . 1 1 37 37 VAL CB C 13 32.024 0.040 . 1 . . . . 37 V CB . 18283 1 416 . 1 1 37 37 VAL CG1 C 13 22.944 0.05 . 2 . . . . 37 V CG1 . 18283 1 417 . 1 1 37 37 VAL CG2 C 13 20.717 0.062 . 2 . . . . 37 V CG2 . 18283 1 418 . 1 1 37 37 VAL N N 15 118.610 0.042 . 1 . . . . 37 V N . 18283 1 419 . 1 1 38 38 MET H H 1 8.567 0.011 . 1 . . . . 38 M H . 18283 1 420 . 1 1 38 38 MET HA H 1 4.277 0.023 . 1 . . . . 38 M HA . 18283 1 421 . 1 1 38 38 MET HB2 H 1 2.132 0.020 . 2 . . . . 38 M HB# . 18283 1 422 . 1 1 38 38 MET HB3 H 1 2.132 0.020 . 2 . . . . 38 M HB# . 18283 1 423 . 1 1 38 38 MET HG2 H 1 2.355 0.013 . 2 . . . . 38 M HG# . 18283 1 424 . 1 1 38 38 MET HG3 H 1 2.355 0.013 . 2 . . . . 38 M HG# . 18283 1 425 . 1 1 38 38 MET HE1 H 1 1.929 0.010 . 1 . . . . 38 M HE# . 18283 1 426 . 1 1 38 38 MET HE2 H 1 1.929 0.010 . 1 . . . . 38 M HE# . 18283 1 427 . 1 1 38 38 MET HE3 H 1 1.929 0.010 . 1 . . . . 38 M HE# . 18283 1 428 . 1 1 38 38 MET C C 13 178.496 0.075 . 1 . . . . 38 M C . 18283 1 429 . 1 1 38 38 MET CA C 13 59.834 0.026 . 1 . . . . 38 M CA . 18283 1 430 . 1 1 38 38 MET CB C 13 32.367 0.083 . 1 . . . . 38 M CB . 18283 1 431 . 1 1 38 38 MET CE C 13 19.814 0.091 . 1 . . . . 38 M CE . 18283 1 432 . 1 1 38 38 MET N N 15 120.387 0.057 . 1 . . . . 38 M N . 18283 1 433 . 1 1 39 39 GLY H H 1 8.978 0.010 . 1 . . . . 39 G H . 18283 1 434 . 1 1 39 39 GLY HA2 H 1 3.861 0.023 . 2 . . . . 39 G HA2 . 18283 1 435 . 1 1 39 39 GLY HA3 H 1 4.197 0.010 . 2 . . . . 39 G HA3 . 18283 1 436 . 1 1 39 39 GLY C C 13 175.381 0.038 . 1 . . . . 39 G C . 18283 1 437 . 1 1 39 39 GLY CA C 13 47.527 0.082 . 1 . . . . 39 G CA . 18283 1 438 . 1 1 39 39 GLY N N 15 108.847 0.033 . 1 . . . . 39 G N . 18283 1 439 . 1 1 40 40 ASN H H 1 8.263 0.011 . 1 . . . . 40 N H . 18283 1 440 . 1 1 40 40 ASN HA H 1 4.335 0.019 . 1 . . . . 40 N HA . 18283 1 441 . 1 1 40 40 ASN HB2 H 1 2.686 0.027 . 2 . . . . 40 N HB2 . 18283 1 442 . 1 1 40 40 ASN HB3 H 1 2.817 0.042 . 2 . . . . 40 N HB3 . 18283 1 443 . 1 1 40 40 ASN HD21 H 1 7.507 0.011 . 2 . . . . 40 N HD21 . 18283 1 444 . 1 1 40 40 ASN HD22 H 1 6.862 0.012 . 2 . . . . 40 N HD22 . 18283 1 445 . 1 1 40 40 ASN C C 13 177.599 0.050 . 1 . . . . 40 N C . 18283 1 446 . 1 1 40 40 ASN CA C 13 56.027 0.125 . 1 . . . . 40 N CA . 18283 1 447 . 1 1 40 40 ASN CB C 13 37.953 0.082 . 1 . . . . 40 N CB . 18283 1 448 . 1 1 40 40 ASN N N 15 119.183 0.064 . 1 . . . . 40 N N . 18283 1 449 . 1 1 40 40 ASN ND2 N 15 112.441 0.043 . 1 . . . . 40 N ND2 . 18283 1 450 . 1 1 41 41 ALA H H 1 7.751 0.008 . 1 . . . . 41 A H . 18283 1 451 . 1 1 41 41 ALA HA H 1 3.973 0.005 . 1 . . . . 41 A HA . 18283 1 452 . 1 1 41 41 ALA HB1 H 1 1.068 0.014 . 1 . . . . 41 A HB# . 18283 1 453 . 1 1 41 41 ALA HB2 H 1 1.068 0.014 . 1 . . . . 41 A HB# . 18283 1 454 . 1 1 41 41 ALA HB3 H 1 1.068 0.014 . 1 . . . . 41 A HB# . 18283 1 455 . 1 1 41 41 ALA C C 13 180.616 0.062 . 1 . . . . 41 A C . 18283 1 456 . 1 1 41 41 ALA CA C 13 55.062 0.086 . 1 . . . . 41 A CA . 18283 1 457 . 1 1 41 41 ALA CB C 13 17.648 0.089 . 1 . . . . 41 A CB . 18283 1 458 . 1 1 41 41 ALA N N 15 123.349 0.040 . 1 . . . . 41 A N . 18283 1 459 . 1 1 42 42 SER H H 1 8.203 0.004 . 1 . . . . 42 S H . 18283 1 460 . 1 1 42 42 SER HA H 1 3.808 0.034 . 1 . . . . 42 S HA . 18283 1 461 . 1 1 42 42 SER HB2 H 1 3.464 0.019 . 2 . . . . 42 S HB# . 18283 1 462 . 1 1 42 42 SER HB3 H 1 3.464 0.019 . 2 . . . . 42 S HB# . 18283 1 463 . 1 1 42 42 SER C C 13 175.560 0.005 . 1 . . . . 42 S C . 18283 1 464 . 1 1 42 42 SER CA C 13 64.453 0.253 . 1 . . . . 42 S CA . 18283 1 465 . 1 1 42 42 SER CB C 13 64.310 0.195 . 1 . . . . 42 S CB . 18283 1 466 . 1 1 42 42 SER N N 15 118.831 0.028 . 1 . . . . 42 S N . 18283 1 467 . 1 1 43 43 VAL H H 1 7.670 0.008 . 1 . . . . 43 V H . 18283 1 468 . 1 1 43 43 VAL HA H 1 3.382 0.014 . 1 . . . . 43 V HA . 18283 1 469 . 1 1 43 43 VAL HB H 1 2.110 0.031 . 1 . . . . 43 V HB . 18283 1 470 . 1 1 43 43 VAL HG11 H 1 0.772 0.016 . 2 . . . . 43 V HG1# . 18283 1 471 . 1 1 43 43 VAL HG12 H 1 0.772 0.016 . 2 . . . . 43 V HG1# . 18283 1 472 . 1 1 43 43 VAL HG13 H 1 0.772 0.016 . 2 . . . . 43 V HG1# . 18283 1 473 . 1 1 43 43 VAL HG21 H 1 0.980 0.028 . 2 . . . . 43 V HG2# . 18283 1 474 . 1 1 43 43 VAL HG22 H 1 0.980 0.028 . 2 . . . . 43 V HG2# . 18283 1 475 . 1 1 43 43 VAL HG23 H 1 0.980 0.028 . 2 . . . . 43 V HG2# . 18283 1 476 . 1 1 43 43 VAL C C 13 177.916 0.035 . 1 . . . . 43 V C . 18283 1 477 . 1 1 43 43 VAL CA C 13 66.842 0.007 . 1 . . . . 43 V CA . 18283 1 478 . 1 1 43 43 VAL CB C 13 31.728 0.148 . 1 . . . . 43 V CB . 18283 1 479 . 1 1 43 43 VAL CG1 C 13 20.428 0.103 . 1 . . . . 43 V CG1 . 18283 1 480 . 1 1 43 43 VAL N N 15 118.348 0.034 . 1 . . . . 43 V N . 18283 1 481 . 1 1 44 44 ALA H H 1 8.084 0.024 . 1 . . . . 44 A H . 18283 1 482 . 1 1 44 44 ALA HA H 1 4.187 0.005 . 1 . . . . 44 A HA . 18283 1 483 . 1 1 44 44 ALA HB1 H 1 1.347 0.029 . 1 . . . . 44 A HB# . 18283 1 484 . 1 1 44 44 ALA HB2 H 1 1.347 0.029 . 1 . . . . 44 A HB# . 18283 1 485 . 1 1 44 44 ALA HB3 H 1 1.347 0.029 . 1 . . . . 44 A HB# . 18283 1 486 . 1 1 44 44 ALA C C 13 181.275 0.010 . 1 . . . . 44 A C . 18283 1 487 . 1 1 44 44 ALA CA C 13 54.509 0.104 . 1 . . . . 44 A CA . 18283 1 488 . 1 1 44 44 ALA CB C 13 18.414 0.095 . 1 . . . . 44 A CB . 18283 1 489 . 1 1 44 44 ALA N N 15 119.728 0.035 . 1 . . . . 44 A N . 18283 1 490 . 1 1 45 45 SER H H 1 8.213 0.004 . 1 . . . . 45 S H . 18283 1 491 . 1 1 45 45 SER HA H 1 4.088 0.029 . 1 . . . . 45 S HA . 18283 1 492 . 1 1 45 45 SER HB2 H 1 3.863 0.014 . 2 . . . . 45 S HB# . 18283 1 493 . 1 1 45 45 SER HB3 H 1 3.863 0.014 . 2 . . . . 45 S HB# . 18283 1 494 . 1 1 45 45 SER C C 13 176.224 0.040 . 1 . . . . 45 S C . 18283 1 495 . 1 1 45 45 SER CA C 13 61.590 0.171 . 1 . . . . 45 S CA . 18283 1 496 . 1 1 45 45 SER CB C 13 62.698 0.111 . 1 . . . . 45 S CB . 18283 1 497 . 1 1 45 45 SER N N 15 113.292 0.018 . 1 . . . . 45 S N . 18283 1 498 . 1 1 46 46 ARG H H 1 7.464 0.021 . 1 . . . . 46 R H . 18283 1 499 . 1 1 46 46 ARG HA H 1 4.342 0.014 . 1 . . . . 46 R HA . 18283 1 500 . 1 1 46 46 ARG HD2 H 1 3.008 0.007 . 2 . . . . 46 R HD2 . 18283 1 501 . 1 1 46 46 ARG N N 15 118.561 0.028 . 1 . . . . 46 R N . 18283 1 502 . 1 1 47 47 ASP H H 1 7.765 0.007 . 1 . . . . 47 D H . 18283 1 503 . 1 1 47 47 ASP HA H 1 4.353 0.006 . 1 . . . . 47 D HA . 18283 1 504 . 1 1 47 47 ASP HB2 H 1 3.109 0.010 . 2 . . . . 47 D HB2 . 18283 1 505 . 1 1 47 47 ASP HB3 H 1 2.448 0.042 . 2 . . . . 47 D HB3 . 18283 1 506 . 1 1 47 47 ASP CA C 13 54.939 0.05 . 1 . . . . 47 D CA . 18283 1 507 . 1 1 47 47 ASP CB C 13 38.989 0.05 . 1 . . . . 47 D CB . 18283 1 508 . 1 1 47 47 ASP N N 15 119.283 0.048 . 1 . . . . 47 D N . 18283 1 509 . 1 1 48 48 LEU H H 1 7.917 0.005 . 1 . . . . 48 L H . 18283 1 510 . 1 1 48 48 LEU HA H 1 4.486 0.018 . 1 . . . . 48 L HA . 18283 1 511 . 1 1 48 48 LEU HB2 H 1 1.096 0.009 . 2 . . . . 48 L HB2 . 18283 1 512 . 1 1 48 48 LEU HB3 H 1 1.669 0.005 . 2 . . . . 48 L HB3 . 18283 1 513 . 1 1 48 48 LEU HD11 H 1 0.680 0.012 . 2 . . . . 48 L HD# . 18283 1 514 . 1 1 48 48 LEU HD12 H 1 0.680 0.012 . 2 . . . . 48 L HD# . 18283 1 515 . 1 1 48 48 LEU HD13 H 1 0.680 0.012 . 2 . . . . 48 L HD# . 18283 1 516 . 1 1 48 48 LEU HD21 H 1 0.680 0.012 . 2 . . . . 48 L HD# . 18283 1 517 . 1 1 48 48 LEU HD22 H 1 0.680 0.012 . 2 . . . . 48 L HD# . 18283 1 518 . 1 1 48 48 LEU HD23 H 1 0.680 0.012 . 2 . . . . 48 L HD# . 18283 1 519 . 1 1 48 48 LEU CB C 13 43.998 0.101 . 1 . . . . 48 L CB . 18283 1 520 . 1 1 48 48 LEU CD1 C 13 22.777 0.050 . 2 . . . . 48 L CD# . 18283 1 521 . 1 1 48 48 LEU CD2 C 13 22.777 0.050 . 2 . . . . 48 L CD# . 18283 1 522 . 1 1 48 48 LEU N N 15 115.336 0.047 . 1 . . . . 48 L N . 18283 1 523 . 1 1 49 49 LYS H H 1 8.868 0.008 . 1 . . . . 49 K H . 18283 1 524 . 1 1 49 49 LYS HA H 1 4.354 0.014 . 1 . . . . 49 K HA . 18283 1 525 . 1 1 49 49 LYS HB2 H 1 1.614 0.005 . 2 . . . . 49 K HB# . 18283 1 526 . 1 1 49 49 LYS HB3 H 1 1.614 0.005 . 2 . . . . 49 K HB# . 18283 1 527 . 1 1 49 49 LYS HG2 H 1 1.310 0.012 . 2 . . . . 49 K HG# . 18283 1 528 . 1 1 49 49 LYS HG3 H 1 1.310 0.012 . 2 . . . . 49 K HG# . 18283 1 529 . 1 1 49 49 LYS HE2 H 1 2.845 0.020 . 2 . . . . 49 K HE# . 18283 1 530 . 1 1 49 49 LYS HE3 H 1 2.845 0.020 . 2 . . . . 49 K HE# . 18283 1 531 . 1 1 49 49 LYS C C 13 175.294 0.031 . 1 . . . . 49 K C . 18283 1 532 . 1 1 49 49 LYS CA C 13 54.795 0.069 . 1 . . . . 49 K CA . 18283 1 533 . 1 1 49 49 LYS CB C 13 32.287 0.168 . 1 . . . . 49 K CB . 18283 1 534 . 1 1 49 49 LYS CG C 13 24.538 0.05 . 1 . . . . 49 K CG . 18283 1 535 . 1 1 49 49 LYS CD C 13 28.663 0.05 . 1 . . . . 49 K CD . 18283 1 536 . 1 1 49 49 LYS CE C 13 41.994 0.05 . 1 . . . . 49 K CE . 18283 1 537 . 1 1 49 49 LYS N N 15 121.358 0.057 . 1 . . . . 49 K N . 18283 1 538 . 1 1 50 50 ILE H H 1 7.934 0.007 . 1 . . . . 50 I H . 18283 1 539 . 1 1 50 50 ILE HA H 1 4.249 0.006 . 1 . . . . 50 I HA . 18283 1 540 . 1 1 50 50 ILE HB H 1 1.636 0.015 . 1 . . . . 50 I HB . 18283 1 541 . 1 1 50 50 ILE HG12 H 1 1.310 0.021 . 2 . . . . 50 I HG1# . 18283 1 542 . 1 1 50 50 ILE HG13 H 1 1.310 0.021 . 2 . . . . 50 I HG1# . 18283 1 543 . 1 1 50 50 ILE HG21 H 1 0.732 0.009 . 1 . . . . 50 I HG2# . 18283 1 544 . 1 1 50 50 ILE HG22 H 1 0.732 0.009 . 1 . . . . 50 I HG2# . 18283 1 545 . 1 1 50 50 ILE HG23 H 1 0.732 0.009 . 1 . . . . 50 I HG2# . 18283 1 546 . 1 1 50 50 ILE HD11 H 1 0.721 0.002 . 1 . . . . 50 I HD1# . 18283 1 547 . 1 1 50 50 ILE HD12 H 1 0.721 0.002 . 1 . . . . 50 I HD1# . 18283 1 548 . 1 1 50 50 ILE HD13 H 1 0.721 0.002 . 1 . . . . 50 I HD1# . 18283 1 549 . 1 1 50 50 ILE C C 13 174.956 0.055 . 1 . . . . 50 I C . 18283 1 550 . 1 1 50 50 ILE CA C 13 59.359 0.108 . 1 . . . . 50 I CA . 18283 1 551 . 1 1 50 50 ILE CB C 13 40.269 0.024 . 1 . . . . 50 I CB . 18283 1 552 . 1 1 50 50 ILE CG1 C 13 27.185 0.047 . 1 . . . . 50 I CG1 . 18283 1 553 . 1 1 50 50 ILE CG2 C 13 17.834 0.109 . 1 . . . . 50 I CG2 . 18283 1 554 . 1 1 50 50 ILE CD1 C 13 13.537 0.126 . 1 . . . . 50 I CD1 . 18283 1 555 . 1 1 50 50 ILE N N 15 123.376 0.032 . 1 . . . . 50 I N . 18283 1 556 . 1 1 51 51 GLU H H 1 8.392 0.007 . 1 . . . . 51 E H . 18283 1 557 . 1 1 51 51 GLU HA H 1 4.281 0.017 . 1 . . . . 51 E HA . 18283 1 558 . 1 1 51 51 GLU HB2 H 1 1.954 0.006 . 2 . . . . 51 E HB2 . 18283 1 559 . 1 1 51 51 GLU HB3 H 1 1.880 0.029 . 2 . . . . 51 E HB3 . 18283 1 560 . 1 1 51 51 GLU HG2 H 1 2.300 0.004 . 2 . . . . 51 E HG# . 18283 1 561 . 1 1 51 51 GLU HG3 H 1 2.300 0.004 . 2 . . . . 51 E HG# . 18283 1 562 . 1 1 51 51 GLU C C 13 175.444 0.034 . 1 . . . . 51 E C . 18283 1 563 . 1 1 51 51 GLU CA C 13 55.779 0.008 . 1 . . . . 51 E CA . 18283 1 564 . 1 1 51 51 GLU CB C 13 29.992 0.120 . 1 . . . . 51 E CB . 18283 1 565 . 1 1 51 51 GLU CG C 13 35.960 0.05 . 1 . . . . 51 E CG . 18283 1 566 . 1 1 51 51 GLU N N 15 126.844 0.031 . 1 . . . . 51 E N . 18283 1 567 . 1 1 52 52 GLN H H 1 8.469 0.005 . 1 . . . . 52 Q H . 18283 1 568 . 1 1 52 52 GLN HA H 1 4.178 0.005 . 1 . . . . 52 Q HA . 18283 1 569 . 1 1 52 52 GLN HB2 H 1 1.927 0.019 . 2 . . . . 52 Q HB2 . 18283 1 570 . 1 1 52 52 GLN HB3 H 1 2.040 0.005 . 2 . . . . 52 Q HB3 . 18283 1 571 . 1 1 52 52 GLN HG2 H 1 2.214 0.047 . 2 . . . . 52 Q HG# . 18283 1 572 . 1 1 52 52 GLN HG3 H 1 2.214 0.047 . 2 . . . . 52 Q HG# . 18283 1 573 . 1 1 52 52 GLN HE21 H 1 8.232 0.005 . 2 . . . . 52 Q HE21 . 18283 1 574 . 1 1 52 52 GLN HE22 H 1 7.777 0.005 . 2 . . . . 52 Q HE22 . 18283 1 575 . 1 1 52 52 GLN C C 13 175.203 0.049 . 1 . . . . 52 Q C . 18283 1 576 . 1 1 52 52 GLN CA C 13 56.148 0.047 . 1 . . . . 52 Q CA . 18283 1 577 . 1 1 52 52 GLN CB C 13 28.483 0.090 . 1 . . . . 52 Q CB . 18283 1 578 . 1 1 52 52 GLN CG C 13 33.539 0.05 . 1 . . . . 52 Q CG . 18283 1 579 . 1 1 52 52 GLN N N 15 123.718 0.045 . 1 . . . . 52 Q N . 18283 1 580 . 1 1 52 52 GLN NE2 N 15 125.331 0.001 . 1 . . . . 52 Q NE2 . 18283 1 581 . 1 1 53 53 SER H H 1 7.703 0.004 . 1 . . . . 53 S H . 18283 1 582 . 1 1 53 53 SER HA H 1 4.858 0.014 . 1 . . . . 53 S HA . 18283 1 583 . 1 1 53 53 SER HB2 H 1 3.886 0.012 . 2 . . . . 53 S HB# . 18283 1 584 . 1 1 53 53 SER HB3 H 1 3.886 0.012 . 2 . . . . 53 S HB# . 18283 1 585 . 1 1 53 53 SER C C 13 173.213 0.05 . 1 . . . . 53 S C . 18283 1 586 . 1 1 53 53 SER CB C 13 63.629 0.05 . 1 . . . . 53 S CB . 18283 1 587 . 1 1 53 53 SER N N 15 117.720 0.033 . 1 . . . . 53 S N . 18283 1 588 . 1 1 54 54 PRO HA H 1 4.344 0.007 . 1 . . . . 54 P HA . 18283 1 589 . 1 1 54 54 PRO HB2 H 1 2.022 0.042 . 2 . . . . 54 P HB2 . 18283 1 590 . 1 1 54 54 PRO HB3 H 1 1.896 0.011 . 2 . . . . 54 P HB3 . 18283 1 591 . 1 1 54 54 PRO HG2 H 1 2.311 0.010 . 2 . . . . 54 P HG# . 18283 1 592 . 1 1 54 54 PRO HG3 H 1 2.311 0.010 . 2 . . . . 54 P HG# . 18283 1 593 . 1 1 54 54 PRO HD2 H 1 3.854 0.003 . 2 . . . . 54 P HD2 . 18283 1 594 . 1 1 54 54 PRO HD3 H 1 3.862 0.009 . 2 . . . . 54 P HD3 . 18283 1 595 . 1 1 54 54 PRO C C 13 178.488 0.032 . 1 . . . . 54 P C . 18283 1 596 . 1 1 54 54 PRO CA C 13 65.086 0.090 . 1 . . . . 54 P CA . 18283 1 597 . 1 1 54 54 PRO CB C 13 31.769 0.082 . 1 . . . . 54 P CB . 18283 1 598 . 1 1 54 54 PRO CG C 13 27.725 0.05 . 1 . . . . 54 P CG . 18283 1 599 . 1 1 54 54 PRO CD C 13 50.828 0.111 . 1 . . . . 54 P CD . 18283 1 600 . 1 1 55 55 GLU H H 1 8.403 0.008 . 1 . . . . 55 E H . 18283 1 601 . 1 1 55 55 GLU HA H 1 4.173 0.012 . 1 . . . . 55 E HA . 18283 1 602 . 1 1 55 55 GLU HB2 H 1 1.930 0.004 . 2 . . . . 55 E HB# . 18283 1 603 . 1 1 55 55 GLU HB3 H 1 1.930 0.004 . 2 . . . . 55 E HB# . 18283 1 604 . 1 1 55 55 GLU HG2 H 1 2.219 0.011 . 2 . . . . 55 E HG# . 18283 1 605 . 1 1 55 55 GLU HG3 H 1 2.219 0.011 . 2 . . . . 55 E HG# . 18283 1 606 . 1 1 55 55 GLU C C 13 177.724 0.070 . 1 . . . . 55 E C . 18283 1 607 . 1 1 55 55 GLU CA C 13 58.231 0.127 . 1 . . . . 55 E CA . 18283 1 608 . 1 1 55 55 GLU CB C 13 29.053 0.075 . 1 . . . . 55 E CB . 18283 1 609 . 1 1 55 55 GLU CG C 13 36.309 0.05 . 1 . . . . 55 E CG . 18283 1 610 . 1 1 55 55 GLU N N 15 116.834 0.042 . 1 . . . . 55 E N . 18283 1 611 . 1 1 56 56 LEU H H 1 7.712 0.007 . 1 . . . . 56 L H . 18283 1 612 . 1 1 56 56 LEU HA H 1 4.105 0.005 . 1 . . . . 56 L HA . 18283 1 613 . 1 1 56 56 LEU HB2 H 1 1.744 0.028 . 2 . . . . 56 L HB2 . 18283 1 614 . 1 1 56 56 LEU HB3 H 1 1.874 0.013 . 2 . . . . 56 L HB3 . 18283 1 615 . 1 1 56 56 LEU HG H 1 1.696 0.014 . 1 . . . . 56 L HG . 18283 1 616 . 1 1 56 56 LEU HD11 H 1 0.859 0.023 . 2 . . . . 56 L HD# . 18283 1 617 . 1 1 56 56 LEU HD12 H 1 0.859 0.023 . 2 . . . . 56 L HD# . 18283 1 618 . 1 1 56 56 LEU HD13 H 1 0.859 0.023 . 2 . . . . 56 L HD# . 18283 1 619 . 1 1 56 56 LEU HD21 H 1 0.859 0.023 . 2 . . . . 56 L HD# . 18283 1 620 . 1 1 56 56 LEU HD22 H 1 0.859 0.023 . 2 . . . . 56 L HD# . 18283 1 621 . 1 1 56 56 LEU HD23 H 1 0.859 0.023 . 2 . . . . 56 L HD# . 18283 1 622 . 1 1 56 56 LEU C C 13 178.576 0.082 . 1 . . . . 56 L C . 18283 1 623 . 1 1 56 56 LEU CA C 13 57.574 0.113 . 1 . . . . 56 L CA . 18283 1 624 . 1 1 56 56 LEU CB C 13 41.157 0.062 . 1 . . . . 56 L CB . 18283 1 625 . 1 1 56 56 LEU CD1 C 13 24.723 0.05 . 2 . . . . 56 L CD1 . 18283 1 626 . 1 1 56 56 LEU CD2 C 13 23.814 0.004 . 2 . . . . 56 L CD2 . 18283 1 627 . 1 1 56 56 LEU N N 15 122.616 0.030 . 1 . . . . 56 L N . 18283 1 628 . 1 1 57 57 SER H H 1 8.351 0.005 . 1 . . . . 57 S H . 18283 1 629 . 1 1 57 57 SER HA H 1 3.999 0.028 . 1 . . . . 57 S HA . 18283 1 630 . 1 1 57 57 SER HB2 H 1 3.929 0.008 . 2 . . . . 57 S HB# . 18283 1 631 . 1 1 57 57 SER HB3 H 1 3.929 0.008 . 2 . . . . 57 S HB# . 18283 1 632 . 1 1 57 57 SER C C 13 176.284 0.05 . 1 . . . . 57 S C . 18283 1 633 . 1 1 57 57 SER CA C 13 60.130 0.099 . 1 . . . . 57 S CA . 18283 1 634 . 1 1 57 57 SER CB C 13 61.223 0.050 . 1 . . . . 57 S CB . 18283 1 635 . 1 1 57 57 SER N N 15 113.994 0.034 . 1 . . . . 57 S N . 18283 1 636 . 1 1 58 58 ALA H H 1 7.740 0.010 . 1 . . . . 58 A H . 18283 1 637 . 1 1 58 58 ALA HA H 1 4.089 0.015 . 1 . . . . 58 A HA . 18283 1 638 . 1 1 58 58 ALA HB1 H 1 1.434 0.012 . 1 . . . . 58 A HB# . 18283 1 639 . 1 1 58 58 ALA HB2 H 1 1.434 0.012 . 1 . . . . 58 A HB# . 18283 1 640 . 1 1 58 58 ALA HB3 H 1 1.434 0.012 . 1 . . . . 58 A HB# . 18283 1 641 . 1 1 58 58 ALA C C 13 180.172 0.037 . 1 . . . . 58 A C . 18283 1 642 . 1 1 58 58 ALA CA C 13 54.858 0.128 . 1 . . . . 58 A CA . 18283 1 643 . 1 1 58 58 ALA CB C 13 18.016 0.089 . 1 . . . . 58 A CB . 18283 1 644 . 1 1 58 58 ALA N N 15 122.630 0.026 . 1 . . . . 58 A N . 18283 1 645 . 1 1 59 59 LYS H H 1 7.782 0.004 . 1 . . . . 59 K H . 18283 1 646 . 1 1 59 59 LYS HA H 1 4.242 0.014 . 1 . . . . 59 K HA . 18283 1 647 . 1 1 59 59 LYS HB2 H 1 1.787 0.005 . 2 . . . . 59 K HB# . 18283 1 648 . 1 1 59 59 LYS HB3 H 1 1.787 0.005 . 2 . . . . 59 K HB# . 18283 1 649 . 1 1 59 59 LYS HD2 H 1 1.558 0.012 . 2 . . . . 59 K HD# . 18283 1 650 . 1 1 59 59 LYS HD3 H 1 1.558 0.012 . 2 . . . . 59 K HD# . 18283 1 651 . 1 1 59 59 LYS HE2 H 1 2.873 0.026 . 2 . . . . 59 K HE# . 18283 1 652 . 1 1 59 59 LYS HE3 H 1 2.873 0.026 . 2 . . . . 59 K HE# . 18283 1 653 . 1 1 59 59 LYS C C 13 179.259 0.059 . 1 . . . . 59 K C . 18283 1 654 . 1 1 59 59 LYS CA C 13 59.482 0.040 . 1 . . . . 59 K CA . 18283 1 655 . 1 1 59 59 LYS CB C 13 32.048 0.079 . 1 . . . . 59 K CB . 18283 1 656 . 1 1 59 59 LYS CG C 13 24.934 0.05 . 1 . . . . 59 K CG . 18283 1 657 . 1 1 59 59 LYS CD C 13 27.538 0.05 . 1 . . . . 59 K CD . 18283 1 658 . 1 1 59 59 LYS CE C 13 44.134 0.05 . 1 . . . . 59 K CE . 18283 1 659 . 1 1 59 59 LYS N N 15 119.633 0.051 . 1 . . . . 59 K N . 18283 1 660 . 1 1 60 60 VAL H H 1 8.321 0.004 . 1 . . . . 60 V H . 18283 1 661 . 1 1 60 60 VAL HA H 1 3.360 0.027 . 1 . . . . 60 V HA . 18283 1 662 . 1 1 60 60 VAL HB H 1 1.872 0.005 . 1 . . . . 60 V HB . 18283 1 663 . 1 1 60 60 VAL HG11 H 1 0.762 0.027 . 2 . . . . 60 V HG1# . 18283 1 664 . 1 1 60 60 VAL HG12 H 1 0.762 0.027 . 2 . . . . 60 V HG1# . 18283 1 665 . 1 1 60 60 VAL HG13 H 1 0.762 0.027 . 2 . . . . 60 V HG1# . 18283 1 666 . 1 1 60 60 VAL HG21 H 1 0.930 0.032 . 2 . . . . 60 V HG2# . 18283 1 667 . 1 1 60 60 VAL HG22 H 1 0.930 0.032 . 2 . . . . 60 V HG2# . 18283 1 668 . 1 1 60 60 VAL HG23 H 1 0.930 0.032 . 2 . . . . 60 V HG2# . 18283 1 669 . 1 1 60 60 VAL C C 13 176.987 0.044 . 1 . . . . 60 V C . 18283 1 670 . 1 1 60 60 VAL CA C 13 66.799 0.050 . 1 . . . . 60 V CA . 18283 1 671 . 1 1 60 60 VAL CB C 13 31.777 0.077 . 1 . . . . 60 V CB . 18283 1 672 . 1 1 60 60 VAL N N 15 120.664 0.059 . 1 . . . . 60 V N . 18283 1 673 . 1 1 61 61 VAL H H 1 7.627 0.005 . 1 . . . . 61 V H . 18283 1 674 . 1 1 61 61 VAL HA H 1 3.454 0.011 . 1 . . . . 61 V HA . 18283 1 675 . 1 1 61 61 VAL HG11 H 1 0.908 0.016 . 2 . . . . 61 V HG1# . 18283 1 676 . 1 1 61 61 VAL HG12 H 1 0.908 0.016 . 2 . . . . 61 V HG1# . 18283 1 677 . 1 1 61 61 VAL HG13 H 1 0.908 0.016 . 2 . . . . 61 V HG1# . 18283 1 678 . 1 1 61 61 VAL HG21 H 1 0.817 0.076 . 2 . . . . 61 V HG2# . 18283 1 679 . 1 1 61 61 VAL HG22 H 1 0.817 0.076 . 2 . . . . 61 V HG2# . 18283 1 680 . 1 1 61 61 VAL HG23 H 1 0.817 0.076 . 2 . . . . 61 V HG2# . 18283 1 681 . 1 1 61 61 VAL C C 13 177.632 0.05 . 1 . . . . 61 V C . 18283 1 682 . 1 1 61 61 VAL CA C 13 66.701 0.040 . 1 . . . . 61 V CA . 18283 1 683 . 1 1 61 61 VAL CB C 13 30.268 0.05 . 1 . . . . 61 V CB . 18283 1 684 . 1 1 61 61 VAL CG1 C 13 21.136 0.095 . 1 . . . . 61 V CG1 . 18283 1 685 . 1 1 61 61 VAL N N 15 118.003 0.051 . 1 . . . . 61 V N . 18283 1 686 . 1 1 62 62 GLU H H 1 7.757 0.010 . 1 . . . . 62 E H . 18283 1 687 . 1 1 62 62 GLU HA H 1 4.013 0.020 . 1 . . . . 62 E HA . 18283 1 688 . 1 1 62 62 GLU HB2 H 1 2.041 0.023 . 2 . . . . 62 E HB# . 18283 1 689 . 1 1 62 62 GLU HB3 H 1 2.041 0.023 . 2 . . . . 62 E HB# . 18283 1 690 . 1 1 62 62 GLU HG2 H 1 2.227 0.005 . 2 . . . . 62 E HG# . 18283 1 691 . 1 1 62 62 GLU HG3 H 1 2.227 0.005 . 2 . . . . 62 E HG# . 18283 1 692 . 1 1 62 62 GLU C C 13 179.037 0.067 . 1 . . . . 62 E C . 18283 1 693 . 1 1 62 62 GLU CA C 13 59.473 0.071 . 1 . . . . 62 E CA . 18283 1 694 . 1 1 62 62 GLU CB C 13 29.872 0.207 . 1 . . . . 62 E CB . 18283 1 695 . 1 1 62 62 GLU CG C 13 35.994 0.05 . 1 . . . . 62 E CG . 18283 1 696 . 1 1 62 62 GLU N N 15 119.246 0.048 . 1 . . . . 62 E N . 18283 1 697 . 1 1 63 63 LYS H H 1 7.929 0.006 . 1 . . . . 63 K H . 18283 1 698 . 1 1 63 63 LYS HA H 1 4.106 0.001 . 1 . . . . 63 K HA . 18283 1 699 . 1 1 63 63 LYS HB2 H 1 1.897 0.020 . 2 . . . . 63 K HB# . 18283 1 700 . 1 1 63 63 LYS HB3 H 1 1.897 0.020 . 2 . . . . 63 K HB# . 18283 1 701 . 1 1 63 63 LYS HG2 H 1 1.599 0.040 . 2 . . . . 63 K HG# . 18283 1 702 . 1 1 63 63 LYS HG3 H 1 1.599 0.040 . 2 . . . . 63 K HG# . 18283 1 703 . 1 1 63 63 LYS HD2 H 1 1.720 0.005 . 2 . . . . 63 K HD# . 18283 1 704 . 1 1 63 63 LYS HD3 H 1 1.720 0.005 . 2 . . . . 63 K HD# . 18283 1 705 . 1 1 63 63 LYS HE2 H 1 2.770 0.005 . 2 . . . . 63 K HE# . 18283 1 706 . 1 1 63 63 LYS HE3 H 1 2.770 0.005 . 2 . . . . 63 K HE# . 18283 1 707 . 1 1 63 63 LYS C C 13 177.724 0.055 . 1 . . . . 63 K C . 18283 1 708 . 1 1 63 63 LYS CA C 13 58.024 0.070 . 1 . . . . 63 K CA . 18283 1 709 . 1 1 63 63 LYS CB C 13 31.296 0.147 . 1 . . . . 63 K CB . 18283 1 710 . 1 1 63 63 LYS CG C 13 25.381 0.05 . 1 . . . . 63 K CG . 18283 1 711 . 1 1 63 63 LYS CD C 13 28.101 0.05 . 1 . . . . 63 K CD . 18283 1 712 . 1 1 63 63 LYS N N 15 119.912 0.034 . 1 . . . . 63 K N . 18283 1 713 . 1 1 64 64 LEU H H 1 8.873 0.010 . 1 . . . . 64 L H . 18283 1 714 . 1 1 64 64 LEU HA H 1 4.010 0.022 . 1 . . . . 64 L HA . 18283 1 715 . 1 1 64 64 LEU HB2 H 1 1.464 0.001 . 2 . . . . 64 L HB2 . 18283 1 716 . 1 1 64 64 LEU HB3 H 1 1.847 0.015 . 2 . . . . 64 L HB3 . 18283 1 717 . 1 1 64 64 LEU HG H 1 1.485 0.025 . 1 . . . . 64 L HG . 18283 1 718 . 1 1 64 64 LEU HD11 H 1 0.744 0.011 . 2 . . . . 64 L HD# . 18283 1 719 . 1 1 64 64 LEU HD12 H 1 0.744 0.011 . 2 . . . . 64 L HD# . 18283 1 720 . 1 1 64 64 LEU HD13 H 1 0.744 0.011 . 2 . . . . 64 L HD# . 18283 1 721 . 1 1 64 64 LEU HD21 H 1 0.744 0.011 . 2 . . . . 64 L HD# . 18283 1 722 . 1 1 64 64 LEU HD22 H 1 0.744 0.011 . 2 . . . . 64 L HD# . 18283 1 723 . 1 1 64 64 LEU HD23 H 1 0.744 0.011 . 2 . . . . 64 L HD# . 18283 1 724 . 1 1 64 64 LEU C C 13 178.726 0.077 . 1 . . . . 64 L C . 18283 1 725 . 1 1 64 64 LEU CA C 13 57.785 0.112 . 1 . . . . 64 L CA . 18283 1 726 . 1 1 64 64 LEU CB C 13 42.179 0.117 . 1 . . . . 64 L CB . 18283 1 727 . 1 1 64 64 LEU CD1 C 13 25.714 0.05 . 2 . . . . 64 L CD1 . 18283 1 728 . 1 1 64 64 LEU N N 15 122.012 0.043 . 1 . . . . 64 L N . 18283 1 729 . 1 1 65 65 ASN H H 1 8.101 0.008 . 1 . . . . 65 N H . 18283 1 730 . 1 1 65 65 ASN HA H 1 4.296 0.015 . 1 . . . . 65 N HA . 18283 1 731 . 1 1 65 65 ASN HB2 H 1 2.870 0.032 . 2 . . . . 65 N HB2 . 18283 1 732 . 1 1 65 65 ASN HB3 H 1 2.699 0.007 . 2 . . . . 65 N HB3 . 18283 1 733 . 1 1 65 65 ASN HD21 H 1 7.451 0.005 . 2 . . . . 65 N HD21 . 18283 1 734 . 1 1 65 65 ASN HD22 H 1 6.851 0.005 . 2 . . . . 65 N HD22 . 18283 1 735 . 1 1 65 65 ASN C C 13 178.222 0.058 . 1 . . . . 65 N C . 18283 1 736 . 1 1 65 65 ASN CA C 13 56.150 0.142 . 1 . . . . 65 N CA . 18283 1 737 . 1 1 65 65 ASN CB C 13 38.064 0.123 . 1 . . . . 65 N CB . 18283 1 738 . 1 1 65 65 ASN N N 15 116.156 0.058 . 1 . . . . 65 N N . 18283 1 739 . 1 1 65 65 ASN ND2 N 15 111.976 0.007 . 1 . . . . 65 N ND2 . 18283 1 740 . 1 1 66 66 GLN H H 1 7.570 0.005 . 1 . . . . 66 Q H . 18283 1 741 . 1 1 66 66 GLN HA H 1 4.034 0.005 . 1 . . . . 66 Q HA . 18283 1 742 . 1 1 66 66 GLN HB2 H 1 2.319 0.020 . 2 . . . . 66 Q HB# . 18283 1 743 . 1 1 66 66 GLN HB3 H 1 2.319 0.020 . 2 . . . . 66 Q HB# . 18283 1 744 . 1 1 66 66 GLN HG2 H 1 2.622 0.014 . 2 . . . . 66 Q HG# . 18283 1 745 . 1 1 66 66 GLN HG3 H 1 2.622 0.014 . 2 . . . . 66 Q HG# . 18283 1 746 . 1 1 66 66 GLN HE21 H 1 7.414 0.005 . 2 . . . . 66 Q HE21 . 18283 1 747 . 1 1 66 66 GLN HE22 H 1 6.762 0.018 . 2 . . . . 66 Q HE22 . 18283 1 748 . 1 1 66 66 GLN C C 13 178.488 0.245 . 1 . . . . 66 Q C . 18283 1 749 . 1 1 66 66 GLN CA C 13 58.945 0.129 . 1 . . . . 66 Q CA . 18283 1 750 . 1 1 66 66 GLN CB C 13 28.558 0.041 . 1 . . . . 66 Q CB . 18283 1 751 . 1 1 66 66 GLN CG C 13 33.693 0.05 . 1 . . . . 66 Q CG . 18283 1 752 . 1 1 66 66 GLN N N 15 119.691 0.052 . 1 . . . . 66 Q N . 18283 1 753 . 1 1 66 66 GLN NE2 N 15 110.504 0.05 . 1 . . . . 66 Q NE2 . 18283 1 754 . 1 1 67 67 VAL H H 1 8.493 0.007 . 1 . . . . 67 V H . 18283 1 755 . 1 1 67 67 VAL HA H 1 3.621 0.010 . 1 . . . . 67 V HA . 18283 1 756 . 1 1 67 67 VAL HB H 1 2.108 0.027 . 1 . . . . 67 V HB . 18283 1 757 . 1 1 67 67 VAL HG11 H 1 1.039 0.016 . 2 . . . . 67 V HG# . 18283 1 758 . 1 1 67 67 VAL HG12 H 1 1.039 0.016 . 2 . . . . 67 V HG# . 18283 1 759 . 1 1 67 67 VAL HG13 H 1 1.039 0.016 . 2 . . . . 67 V HG# . 18283 1 760 . 1 1 67 67 VAL HG21 H 1 1.039 0.016 . 2 . . . . 67 V HG# . 18283 1 761 . 1 1 67 67 VAL HG22 H 1 1.039 0.016 . 2 . . . . 67 V HG# . 18283 1 762 . 1 1 67 67 VAL HG23 H 1 1.039 0.016 . 2 . . . . 67 V HG# . 18283 1 763 . 1 1 67 67 VAL C C 13 178.727 0.066 . 1 . . . . 67 V C . 18283 1 764 . 1 1 67 67 VAL CA C 13 66.588 0.083 . 1 . . . . 67 V CA . 18283 1 765 . 1 1 67 67 VAL CB C 13 32.028 0.108 . 1 . . . . 67 V CB . 18283 1 766 . 1 1 67 67 VAL CG1 C 13 22.429 0.174 . 2 . . . . 67 V CG1 . 18283 1 767 . 1 1 67 67 VAL N N 15 121.849 0.030 . 1 . . . . 67 V N . 18283 1 768 . 1 1 68 68 CYS H H 1 8.582 0.005 . 1 . . . . 68 C H . 18283 1 769 . 1 1 68 68 CYS HA H 1 4.610 0.020 . 1 . . . . 68 C HA . 18283 1 770 . 1 1 68 68 CYS HB2 H 1 2.842 0.025 . 2 . . . . 68 C HB2 . 18283 1 771 . 1 1 68 68 CYS HB3 H 1 2.956 0.009 . 2 . . . . 68 C HB3 . 18283 1 772 . 1 1 68 68 CYS C C 13 176.877 0.051 . 1 . . . . 68 C C . 18283 1 773 . 1 1 68 68 CYS CA C 13 54.808 0.036 . 1 . . . . 68 C CA . 18283 1 774 . 1 1 68 68 CYS CB C 13 35.600 0.080 . 1 . . . . 68 C CB . 18283 1 775 . 1 1 68 68 CYS N N 15 115.605 0.046 . 1 . . . . 68 C N . 18283 1 776 . 1 1 69 69 ALA H H 1 7.516 0.005 . 1 . . . . 69 A H . 18283 1 777 . 1 1 69 69 ALA HA H 1 4.002 0.007 . 1 . . . . 69 A HA . 18283 1 778 . 1 1 69 69 ALA HB1 H 1 1.430 0.012 . 1 . . . . 69 A HB# . 18283 1 779 . 1 1 69 69 ALA HB2 H 1 1.430 0.012 . 1 . . . . 69 A HB# . 18283 1 780 . 1 1 69 69 ALA HB3 H 1 1.430 0.012 . 1 . . . . 69 A HB# . 18283 1 781 . 1 1 69 69 ALA C C 13 179.474 0.065 . 1 . . . . 69 A C . 18283 1 782 . 1 1 69 69 ALA CA C 13 54.185 0.062 . 1 . . . . 69 A CA . 18283 1 783 . 1 1 69 69 ALA CB C 13 18.237 0.086 . 1 . . . . 69 A CB . 18283 1 784 . 1 1 69 69 ALA N N 15 119.389 0.044 . 1 . . . . 69 A N . 18283 1 785 . 1 1 70 70 LYS H H 1 7.284 0.009 . 1 . . . . 70 K H . 18283 1 786 . 1 1 70 70 LYS HA H 1 4.055 0.014 . 1 . . . . 70 K HA . 18283 1 787 . 1 1 70 70 LYS HB2 H 1 1.918 0.013 . 2 . . . . 70 K HB# . 18283 1 788 . 1 1 70 70 LYS HB3 H 1 1.918 0.013 . 2 . . . . 70 K HB# . 18283 1 789 . 1 1 70 70 LYS HG2 H 1 1.281 0.013 . 2 . . . . 70 K HG# . 18283 1 790 . 1 1 70 70 LYS HG3 H 1 1.281 0.013 . 2 . . . . 70 K HG# . 18283 1 791 . 1 1 70 70 LYS HD2 H 1 1.645 0.022 . 2 . . . . 70 K HD# . 18283 1 792 . 1 1 70 70 LYS HD3 H 1 1.645 0.022 . 2 . . . . 70 K HD# . 18283 1 793 . 1 1 70 70 LYS HE2 H 1 2.992 0.031 . 2 . . . . 70 K HE# . 18283 1 794 . 1 1 70 70 LYS HE3 H 1 2.992 0.031 . 2 . . . . 70 K HE# . 18283 1 795 . 1 1 70 70 LYS C C 13 177.403 0.058 . 1 . . . . 70 K C . 18283 1 796 . 1 1 70 70 LYS CA C 13 58.029 0.059 . 1 . . . . 70 K CA . 18283 1 797 . 1 1 70 70 LYS CB C 13 32.515 0.071 . 1 . . . . 70 K CB . 18283 1 798 . 1 1 70 70 LYS CG C 13 24.909 0.05 . 1 . . . . 70 K CG . 18283 1 799 . 1 1 70 70 LYS CD C 13 28.985 0.05 . 1 . . . . 70 K CD . 18283 1 800 . 1 1 70 70 LYS CE C 13 42.235 0.05 . 1 . . . . 70 K CE . 18283 1 801 . 1 1 70 70 LYS N N 15 116.213 0.031 . 1 . . . . 70 K N . 18283 1 802 . 1 1 71 71 ASP H H 1 6.943 0.008 . 1 . . . . 71 D H . 18283 1 803 . 1 1 71 71 ASP HA H 1 4.770 0.025 . 1 . . . . 71 D HA . 18283 1 804 . 1 1 71 71 ASP HB2 H 1 3.013 0.007 . 2 . . . . 71 D HB# . 18283 1 805 . 1 1 71 71 ASP HB3 H 1 3.013 0.007 . 2 . . . . 71 D HB# . 18283 1 806 . 1 1 71 71 ASP C C 13 172.386 0.05 . 1 . . . . 71 D C . 18283 1 807 . 1 1 71 71 ASP CA C 13 51.814 0.05 . 1 . . . . 71 D CA . 18283 1 808 . 1 1 71 71 ASP CB C 13 40.958 0.05 . 1 . . . . 71 D CB . 18283 1 809 . 1 1 71 71 ASP N N 15 112.363 0.045 . 1 . . . . 71 D N . 18283 1 810 . 1 1 72 72 PRO HA H 1 4.349 0.011 . 1 . . . . 72 P HA . 18283 1 811 . 1 1 72 72 PRO HB2 H 1 1.980 0.009 . 2 . . . . 72 P HB# . 18283 1 812 . 1 1 72 72 PRO HB3 H 1 1.980 0.009 . 2 . . . . 72 P HB# . 18283 1 813 . 1 1 72 72 PRO HG2 H 1 2.333 0.016 . 2 . . . . 72 P HG# . 18283 1 814 . 1 1 72 72 PRO HG3 H 1 2.333 0.016 . 2 . . . . 72 P HG# . 18283 1 815 . 1 1 72 72 PRO HD2 H 1 3.727 0.065 . 2 . . . . 72 P HD2 . 18283 1 816 . 1 1 72 72 PRO HD3 H 1 3.564 0.069 . 2 . . . . 72 P HD3 . 18283 1 817 . 1 1 72 72 PRO CG C 13 27.690 0.05 . 1 . . . . 72 P CG . 18283 1 818 . 1 1 72 72 PRO CD C 13 50.007 0.123 . 1 . . . . 72 P CD . 18283 1 819 . 1 1 73 73 GLN H H 1 7.379 0.001 . 1 . . . . 73 Q H . 18283 1 820 . 1 1 73 73 GLN HA H 1 4.365 0.005 . 1 . . . . 73 Q HA . 18283 1 821 . 1 1 73 73 GLN HB2 H 1 2.227 0.027 . 2 . . . . 73 Q HB# . 18283 1 822 . 1 1 73 73 GLN HB3 H 1 2.227 0.027 . 2 . . . . 73 Q HB# . 18283 1 823 . 1 1 73 73 GLN HE21 H 1 7.395 0.012 . 2 . . . . 73 Q HE21 . 18283 1 824 . 1 1 73 73 GLN HE22 H 1 6.774 0.003 . 2 . . . . 73 Q HE22 . 18283 1 825 . 1 1 73 73 GLN C C 13 174.577 0.079 . 1 . . . . 73 Q C . 18283 1 826 . 1 1 73 73 GLN CA C 13 55.032 0.097 . 1 . . . . 73 Q CA . 18283 1 827 . 1 1 73 73 GLN CB C 13 39.293 0.052 . 1 . . . . 73 Q CB . 18283 1 828 . 1 1 73 73 GLN CG C 13 34.197 0.05 . 1 . . . . 73 Q CG . 18283 1 829 . 1 1 73 73 GLN N N 15 110.235 0.050 . 1 . . . . 73 Q N . 18283 1 830 . 1 1 73 73 GLN NE2 N 15 111.299 0.002 . 1 . . . . 73 Q NE2 . 18283 1 831 . 1 1 74 74 MET H H 1 8.001 0.093 . 1 . . . . 74 M H . 18283 1 832 . 1 1 74 74 MET HA H 1 4.223 0.005 . 1 . . . . 74 M HA . 18283 1 833 . 1 1 74 74 MET HE1 H 1 1.926 0.002 . 1 . . . . 74 M HE# . 18283 1 834 . 1 1 74 74 MET HE2 H 1 1.926 0.002 . 1 . . . . 74 M HE# . 18283 1 835 . 1 1 74 74 MET HE3 H 1 1.926 0.002 . 1 . . . . 74 M HE# . 18283 1 836 . 1 1 74 74 MET C C 13 176.658 0.05 . 1 . . . . 74 M C . 18283 1 837 . 1 1 74 74 MET CB C 13 37.364 0.048 . 1 . . . . 74 M CB . 18283 1 838 . 1 1 74 74 MET CE C 13 16.200 0.151 . 1 . . . . 74 M CE . 18283 1 839 . 1 1 74 74 MET N N 15 117.469 2.591 . 1 . . . . 74 M N . 18283 1 840 . 1 1 75 75 LEU H H 1 8.767 0.086 . 1 . . . . 75 L H . 18283 1 841 . 1 1 75 75 LEU HA H 1 4.070 0.020 . 1 . . . . 75 L HA . 18283 1 842 . 1 1 75 75 LEU HB2 H 1 1.878 0.013 . 2 . . . . 75 L HB# . 18283 1 843 . 1 1 75 75 LEU HB3 H 1 1.878 0.013 . 2 . . . . 75 L HB# . 18283 1 844 . 1 1 75 75 LEU HD11 H 1 0.735 0.005 . 2 . . . . 75 L HD# . 18283 1 845 . 1 1 75 75 LEU HD12 H 1 0.735 0.005 . 2 . . . . 75 L HD# . 18283 1 846 . 1 1 75 75 LEU HD13 H 1 0.735 0.005 . 2 . . . . 75 L HD# . 18283 1 847 . 1 1 75 75 LEU HD21 H 1 0.735 0.005 . 2 . . . . 75 L HD# . 18283 1 848 . 1 1 75 75 LEU HD22 H 1 0.735 0.005 . 2 . . . . 75 L HD# . 18283 1 849 . 1 1 75 75 LEU HD23 H 1 0.735 0.005 . 2 . . . . 75 L HD# . 18283 1 850 . 1 1 75 75 LEU C C 13 177.650 0.045 . 1 . . . . 75 L C . 18283 1 851 . 1 1 75 75 LEU CA C 13 55.163 0.039 . 1 . . . . 75 L CA . 18283 1 852 . 1 1 75 75 LEU CB C 13 40.980 0.145 . 1 . . . . 75 L CB . 18283 1 853 . 1 1 75 75 LEU N N 15 121.412 0.075 . 1 . . . . 75 L N . 18283 1 854 . 1 1 76 76 LEU H H 1 9.055 0.007 . 1 . . . . 76 L H . 18283 1 855 . 1 1 76 76 LEU HA H 1 4.285 0.011 . 1 . . . . 76 L HA . 18283 1 856 . 1 1 76 76 LEU HB2 H 1 0.974 0.022 . 2 . . . . 76 L HB2 . 18283 1 857 . 1 1 76 76 LEU HB3 H 1 1.669 0.016 . 2 . . . . 76 L HB3 . 18283 1 858 . 1 1 76 76 LEU HD11 H 1 0.748 0.005 . 2 . . . . 76 L HD# . 18283 1 859 . 1 1 76 76 LEU HD12 H 1 0.748 0.005 . 2 . . . . 76 L HD# . 18283 1 860 . 1 1 76 76 LEU HD13 H 1 0.748 0.005 . 2 . . . . 76 L HD# . 18283 1 861 . 1 1 76 76 LEU HD21 H 1 0.748 0.005 . 2 . . . . 76 L HD# . 18283 1 862 . 1 1 76 76 LEU HD22 H 1 0.748 0.005 . 2 . . . . 76 L HD# . 18283 1 863 . 1 1 76 76 LEU HD23 H 1 0.748 0.005 . 2 . . . . 76 L HD# . 18283 1 864 . 1 1 76 76 LEU C C 13 178.629 0.065 . 1 . . . . 76 L C . 18283 1 865 . 1 1 76 76 LEU CA C 13 57.796 0.070 . 1 . . . . 76 L CA . 18283 1 866 . 1 1 76 76 LEU CB C 13 42.605 0.065 . 1 . . . . 76 L CB . 18283 1 867 . 1 1 76 76 LEU CG C 13 25.850 0.05 . 1 . . . . 76 L CG . 18283 1 868 . 1 1 76 76 LEU CD1 C 13 23.694 0.05 . 2 . . . . 76 L CD1 . 18283 1 869 . 1 1 76 76 LEU N N 15 127.003 0.029 . 1 . . . . 76 L N . 18283 1 870 . 1 1 77 77 ILE H H 1 9.803 0.007 . 1 . . . . 77 I H . 18283 1 871 . 1 1 77 77 ILE HA H 1 3.991 0.008 . 1 . . . . 77 I HA . 18283 1 872 . 1 1 77 77 ILE HB H 1 1.630 0.012 . 1 . . . . 77 I HB . 18283 1 873 . 1 1 77 77 ILE HG12 H 1 0.695 0.005 . 2 . . . . 77 I HG1# . 18283 1 874 . 1 1 77 77 ILE HG13 H 1 0.695 0.005 . 2 . . . . 77 I HG1# . 18283 1 875 . 1 1 77 77 ILE HG21 H 1 0.665 0.007 . 1 . . . . 77 I HG2# . 18283 1 876 . 1 1 77 77 ILE HG22 H 1 0.665 0.007 . 1 . . . . 77 I HG2# . 18283 1 877 . 1 1 77 77 ILE HG23 H 1 0.665 0.007 . 1 . . . . 77 I HG2# . 18283 1 878 . 1 1 77 77 ILE HD11 H 1 0.433 0.013 . 1 . . . . 77 I HD1# . 18283 1 879 . 1 1 77 77 ILE HD12 H 1 0.433 0.013 . 1 . . . . 77 I HD1# . 18283 1 880 . 1 1 77 77 ILE HD13 H 1 0.433 0.013 . 1 . . . . 77 I HD1# . 18283 1 881 . 1 1 77 77 ILE C C 13 177.005 0.038 . 1 . . . . 77 I C . 18283 1 882 . 1 1 77 77 ILE CA C 13 65.535 0.097 . 1 . . . . 77 I CA . 18283 1 883 . 1 1 77 77 ILE CB C 13 37.467 0.174 . 1 . . . . 77 I CB . 18283 1 884 . 1 1 77 77 ILE CG1 C 13 25.764 0.022 . 1 . . . . 77 I CG1 . 18283 1 885 . 1 1 77 77 ILE CG2 C 13 16.664 0.167 . 1 . . . . 77 I CG2 . 18283 1 886 . 1 1 77 77 ILE CD1 C 13 14.819 0.553 . 1 . . . . 77 I CD1 . 18283 1 887 . 1 1 77 77 ILE N N 15 119.068 0.044 . 1 . . . . 77 I N . 18283 1 888 . 1 1 78 78 THR H H 1 6.468 0.006 . 1 . . . . 78 T H . 18283 1 889 . 1 1 78 78 THR HA H 1 3.585 0.025 . 1 . . . . 78 T HA . 18283 1 890 . 1 1 78 78 THR HG1 H 1 1.247 0.005 . 1 . . . . 78 T HG1 . 18283 1 891 . 1 1 78 78 THR HG21 H 1 1.259 0.013 . 1 . . . . 78 T HG2# . 18283 1 892 . 1 1 78 78 THR HG22 H 1 1.259 0.013 . 1 . . . . 78 T HG2# . 18283 1 893 . 1 1 78 78 THR HG23 H 1 1.259 0.013 . 1 . . . . 78 T HG2# . 18283 1 894 . 1 1 78 78 THR C C 13 174.680 0.042 . 1 . . . . 78 T C . 18283 1 895 . 1 1 78 78 THR CA C 13 65.838 0.096 . 1 . . . . 78 T CA . 18283 1 896 . 1 1 78 78 THR CB C 13 68.704 0.075 . 1 . . . . 78 T CB . 18283 1 897 . 1 1 78 78 THR CG2 C 13 23.604 0.104 . 1 . . . . 78 T CG2 . 18283 1 898 . 1 1 78 78 THR N N 15 119.612 0.044 . 1 . . . . 78 T N . 18283 1 899 . 1 1 79 79 ALA H H 1 7.871 0.012 . 1 . . . . 79 A H . 18283 1 900 . 1 1 79 79 ALA HA H 1 3.930 0.036 . 1 . . . . 79 A HA . 18283 1 901 . 1 1 79 79 ALA HB1 H 1 1.401 0.005 . 1 . . . . 79 A HB# . 18283 1 902 . 1 1 79 79 ALA HB2 H 1 1.401 0.005 . 1 . . . . 79 A HB# . 18283 1 903 . 1 1 79 79 ALA HB3 H 1 1.401 0.005 . 1 . . . . 79 A HB# . 18283 1 904 . 1 1 79 79 ALA C C 13 181.077 0.037 . 1 . . . . 79 A C . 18283 1 905 . 1 1 79 79 ALA CA C 13 55.764 0.015 . 1 . . . . 79 A CA . 18283 1 906 . 1 1 79 79 ALA CB C 13 19.664 0.118 . 1 . . . . 79 A CB . 18283 1 907 . 1 1 79 79 ALA N N 15 124.978 0.042 . 1 . . . . 79 A N . 18283 1 908 . 1 1 80 80 ILE H H 1 9.256 0.015 . 1 . . . . 80 I H . 18283 1 909 . 1 1 80 80 ILE HA H 1 3.503 0.013 . 1 . . . . 80 I HA . 18283 1 910 . 1 1 80 80 ILE HB H 1 1.743 0.013 . 1 . . . . 80 I HB . 18283 1 911 . 1 1 80 80 ILE HG12 H 1 0.737 0.005 . 2 . . . . 80 I HG1# . 18283 1 912 . 1 1 80 80 ILE HG13 H 1 0.737 0.005 . 2 . . . . 80 I HG1# . 18283 1 913 . 1 1 80 80 ILE HG21 H 1 0.944 0.024 . 1 . . . . 80 I HG2# . 18283 1 914 . 1 1 80 80 ILE HG22 H 1 0.944 0.024 . 1 . . . . 80 I HG2# . 18283 1 915 . 1 1 80 80 ILE HG23 H 1 0.944 0.024 . 1 . . . . 80 I HG2# . 18283 1 916 . 1 1 80 80 ILE HD11 H 1 0.808 0.019 . 1 . . . . 80 I HD1# . 18283 1 917 . 1 1 80 80 ILE HD12 H 1 0.808 0.019 . 1 . . . . 80 I HD1# . 18283 1 918 . 1 1 80 80 ILE HD13 H 1 0.808 0.019 . 1 . . . . 80 I HD1# . 18283 1 919 . 1 1 80 80 ILE C C 13 176.836 0.083 . 1 . . . . 80 I C . 18283 1 920 . 1 1 80 80 ILE CA C 13 65.098 0.128 . 1 . . . . 80 I CA . 18283 1 921 . 1 1 80 80 ILE CB C 13 37.809 0.059 . 1 . . . . 80 I CB . 18283 1 922 . 1 1 80 80 ILE CG1 C 13 25.828 0.101 . 1 . . . . 80 I CG1 . 18283 1 923 . 1 1 80 80 ILE CG2 C 13 17.471 0.171 . 1 . . . . 80 I CG2 . 18283 1 924 . 1 1 80 80 ILE CD1 C 13 14.269 0.169 . 1 . . . . 80 I CD1 . 18283 1 925 . 1 1 80 80 ILE N N 15 120.245 0.035 . 1 . . . . 80 I N . 18283 1 926 . 1 1 81 81 ASP H H 1 7.973 0.003 . 1 . . . . 81 D H . 18283 1 927 . 1 1 81 81 ASP HA H 1 4.453 0.020 . 1 . . . . 81 D HA . 18283 1 928 . 1 1 81 81 ASP HB2 H 1 2.794 0.022 . 2 . . . . 81 D HB2 . 18283 1 929 . 1 1 81 81 ASP HB3 H 1 2.700 0.005 . 2 . . . . 81 D HB3 . 18283 1 930 . 1 1 81 81 ASP C C 13 177.945 0.037 . 1 . . . . 81 D C . 18283 1 931 . 1 1 81 81 ASP CA C 13 58.653 0.064 . 1 . . . . 81 D CA . 18283 1 932 . 1 1 81 81 ASP CB C 13 43.409 0.110 . 1 . . . . 81 D CB . 18283 1 933 . 1 1 81 81 ASP N N 15 123.395 0.023 . 1 . . . . 81 D N . 18283 1 934 . 1 1 82 82 ASP H H 1 9.260 0.006 . 1 . . . . 82 D H . 18283 1 935 . 1 1 82 82 ASP HA H 1 4.160 0.011 . 1 . . . . 82 D HA . 18283 1 936 . 1 1 82 82 ASP HB2 H 1 2.522 0.009 . 2 . . . . 82 D HB# . 18283 1 937 . 1 1 82 82 ASP HB3 H 1 2.522 0.009 . 2 . . . . 82 D HB# . 18283 1 938 . 1 1 82 82 ASP C C 13 179.676 0.050 . 1 . . . . 82 D C . 18283 1 939 . 1 1 82 82 ASP CA C 13 57.509 0.044 . 1 . . . . 82 D CA . 18283 1 940 . 1 1 82 82 ASP CB C 13 39.643 0.140 . 1 . . . . 82 D CB . 18283 1 941 . 1 1 82 82 ASP N N 15 118.501 0.045 . 1 . . . . 82 D N . 18283 1 942 . 1 1 83 83 THR H H 1 7.864 0.145 . 1 . . . . 83 T H . 18283 1 943 . 1 1 83 83 THR HA H 1 3.663 0.015 . 1 . . . . 83 T HA . 18283 1 944 . 1 1 83 83 THR HG21 H 1 1.225 0.009 . 1 . . . . 83 T HG2# . 18283 1 945 . 1 1 83 83 THR HG22 H 1 1.225 0.009 . 1 . . . . 83 T HG2# . 18283 1 946 . 1 1 83 83 THR HG23 H 1 1.225 0.009 . 1 . . . . 83 T HG2# . 18283 1 947 . 1 1 83 83 THR C C 13 175.725 0.05 . 1 . . . . 83 T C . 18283 1 948 . 1 1 83 83 THR CA C 13 68.240 0.104 . 1 . . . . 83 T CA . 18283 1 949 . 1 1 83 83 THR CB C 13 68.069 0.068 . 1 . . . . 83 T CB . 18283 1 950 . 1 1 83 83 THR CG2 C 13 21.844 0.112 . 1 . . . . 83 T CG2 . 18283 1 951 . 1 1 83 83 THR N N 15 119.184 0.034 . 1 . . . . 83 T N . 18283 1 952 . 1 1 84 84 MET H H 1 8.667 0.004 . 1 . . . . 84 M H . 18283 1 953 . 1 1 84 84 MET HA H 1 4.210 0.012 . 1 . . . . 84 M HA . 18283 1 954 . 1 1 84 84 MET HB2 H 1 2.154 0.025 . 2 . . . . 84 M HB# . 18283 1 955 . 1 1 84 84 MET HB3 H 1 2.154 0.025 . 2 . . . . 84 M HB# . 18283 1 956 . 1 1 84 84 MET HE1 H 1 1.847 0.006 . 1 . . . . 84 M HE# . 18283 1 957 . 1 1 84 84 MET HE2 H 1 1.847 0.006 . 1 . . . . 84 M HE# . 18283 1 958 . 1 1 84 84 MET HE3 H 1 1.847 0.006 . 1 . . . . 84 M HE# . 18283 1 959 . 1 1 84 84 MET C C 13 179.196 0.053 . 1 . . . . 84 M C . 18283 1 960 . 1 1 84 84 MET CA C 13 56.979 0.052 . 1 . . . . 84 M CA . 18283 1 961 . 1 1 84 84 MET CB C 13 29.718 0.098 . 1 . . . . 84 M CB . 18283 1 962 . 1 1 84 84 MET CG C 13 32.132 0.05 . 1 . . . . 84 M CG . 18283 1 963 . 1 1 84 84 MET CE C 13 17.160 0.062 . 1 . . . . 84 M CE . 18283 1 964 . 1 1 84 84 MET N N 15 118.836 0.033 . 1 . . . . 84 M N . 18283 1 965 . 1 1 85 85 ARG H H 1 8.430 0.018 . 1 . . . . 85 R H . 18283 1 966 . 1 1 85 85 ARG HA H 1 3.778 0.028 . 1 . . . . 85 R HA . 18283 1 967 . 1 1 85 85 ARG HB2 H 1 1.881 0.013 . 2 . . . . 85 R HB# . 18283 1 968 . 1 1 85 85 ARG HB3 H 1 1.881 0.013 . 2 . . . . 85 R HB# . 18283 1 969 . 1 1 85 85 ARG HD2 H 1 3.177 0.005 . 2 . . . . 85 R HD2 . 18283 1 970 . 1 1 85 85 ARG HD3 H 1 2.884 0.019 . 2 . . . . 85 R HD3 . 18283 1 971 . 1 1 85 85 ARG C C 13 178.114 0.042 . 1 . . . . 85 R C . 18283 1 972 . 1 1 85 85 ARG CA C 13 59.657 0.240 . 1 . . . . 85 R CA . 18283 1 973 . 1 1 85 85 ARG CB C 13 31.879 0.055 . 1 . . . . 85 R CB . 18283 1 974 . 1 1 85 85 ARG CG C 13 27.538 0.05 . 1 . . . . 85 R CG . 18283 1 975 . 1 1 85 85 ARG N N 15 117.422 0.029 . 1 . . . . 85 R N . 18283 1 976 . 1 1 86 86 ALA H H 1 7.577 0.005 . 1 . . . . 86 A H . 18283 1 977 . 1 1 86 86 ALA HA H 1 4.213 0.009 . 1 . . . . 86 A HA . 18283 1 978 . 1 1 86 86 ALA HB1 H 1 1.514 0.017 . 1 . . . . 86 A HB# . 18283 1 979 . 1 1 86 86 ALA HB2 H 1 1.514 0.017 . 1 . . . . 86 A HB# . 18283 1 980 . 1 1 86 86 ALA HB3 H 1 1.514 0.017 . 1 . . . . 86 A HB# . 18283 1 981 . 1 1 86 86 ALA C C 13 179.939 0.018 . 1 . . . . 86 A C . 18283 1 982 . 1 1 86 86 ALA CA C 13 54.320 0.045 . 1 . . . . 86 A CA . 18283 1 983 . 1 1 86 86 ALA CB C 13 18.596 0.116 . 1 . . . . 86 A CB . 18283 1 984 . 1 1 86 86 ALA N N 15 119.846 0.033 . 1 . . . . 86 A N . 18283 1 985 . 1 1 87 87 ILE H H 1 7.895 0.010 . 1 . . . . 87 I H . 18283 1 986 . 1 1 87 87 ILE HA H 1 4.031 0.007 . 1 . . . . 87 I HA . 18283 1 987 . 1 1 87 87 ILE HB H 1 1.817 0.015 . 1 . . . . 87 I HB . 18283 1 988 . 1 1 87 87 ILE HG12 H 1 1.240 0.001 . 2 . . . . 87 I HG1# . 18283 1 989 . 1 1 87 87 ILE HG13 H 1 1.240 0.001 . 2 . . . . 87 I HG1# . 18283 1 990 . 1 1 87 87 ILE HG21 H 1 0.835 0.024 . 1 . . . . 87 I HG2# . 18283 1 991 . 1 1 87 87 ILE HG22 H 1 0.835 0.024 . 1 . . . . 87 I HG2# . 18283 1 992 . 1 1 87 87 ILE HG23 H 1 0.835 0.024 . 1 . . . . 87 I HG2# . 18283 1 993 . 1 1 87 87 ILE HD11 H 1 0.709 0.009 . 1 . . . . 87 I HD1# . 18283 1 994 . 1 1 87 87 ILE HD12 H 1 0.709 0.009 . 1 . . . . 87 I HD1# . 18283 1 995 . 1 1 87 87 ILE HD13 H 1 0.709 0.009 . 1 . . . . 87 I HD1# . 18283 1 996 . 1 1 87 87 ILE C C 13 177.512 0.043 . 1 . . . . 87 I C . 18283 1 997 . 1 1 87 87 ILE CA C 13 62.960 0.046 . 1 . . . . 87 I CA . 18283 1 998 . 1 1 87 87 ILE CB C 13 38.927 0.114 . 1 . . . . 87 I CB . 18283 1 999 . 1 1 87 87 ILE CG1 C 13 28.443 0.081 . 1 . . . . 87 I CG1 . 18283 1 1000 . 1 1 87 87 ILE CG2 C 13 17.431 0.112 . 1 . . . . 87 I CG2 . 18283 1 1001 . 1 1 87 87 ILE CD1 C 13 13.792 0.045 . 1 . . . . 87 I CD1 . 18283 1 1002 . 1 1 87 87 ILE N N 15 116.849 0.028 . 1 . . . . 87 I N . 18283 1 1003 . 1 1 88 88 GLY H H 1 8.478 0.007 . 1 . . . . 88 G H . 18283 1 1004 . 1 1 88 88 GLY HA2 H 1 3.425 0.031 . 2 . . . . 88 G HA2 . 18283 1 1005 . 1 1 88 88 GLY HA3 H 1 4.062 0.009 . 2 . . . . 88 G HA3 . 18283 1 1006 . 1 1 88 88 GLY C C 13 172.972 0.038 . 1 . . . . 88 G C . 18283 1 1007 . 1 1 88 88 GLY CA C 13 45.832 0.015 . 1 . . . . 88 G CA . 18283 1 1008 . 1 1 88 88 GLY N N 15 108.084 0.050 . 1 . . . . 88 G N . 18283 1 1009 . 1 1 89 89 LYS H H 1 7.869 0.004 . 1 . . . . 89 K H . 18283 1 1010 . 1 1 89 89 LYS HA H 1 4.416 0.028 . 1 . . . . 89 K HA . 18283 1 1011 . 1 1 89 89 LYS HB2 H 1 1.747 0.005 . 2 . . . . 89 K HB# . 18283 1 1012 . 1 1 89 89 LYS HB3 H 1 1.747 0.005 . 2 . . . . 89 K HB# . 18283 1 1013 . 1 1 89 89 LYS HG2 H 1 1.484 0.011 . 2 . . . . 89 K HG# . 18283 1 1014 . 1 1 89 89 LYS HG3 H 1 1.484 0.011 . 2 . . . . 89 K HG# . 18283 1 1015 . 1 1 89 89 LYS C C 13 176.466 0.084 . 1 . . . . 89 K C . 18283 1 1016 . 1 1 89 89 LYS CA C 13 55.827 0.111 . 1 . . . . 89 K CA . 18283 1 1017 . 1 1 89 89 LYS CB C 13 33.737 0.063 . 1 . . . . 89 K CB . 18283 1 1018 . 1 1 89 89 LYS CG C 13 24.819 0.05 . 1 . . . . 89 K CG . 18283 1 1019 . 1 1 89 89 LYS CD C 13 28.385 0.05 . 1 . . . . 89 K CD . 18283 1 1020 . 1 1 89 89 LYS CE C 13 42.432 0.05 . 1 . . . . 89 K CE . 18283 1 1021 . 1 1 89 89 LYS N N 15 120.102 0.024 . 1 . . . . 89 K N . 18283 1 1022 . 1 1 90 90 LYS H H 1 8.239 0.007 . 1 . . . . 90 K H . 18283 1 1023 . 1 1 90 90 LYS HA H 1 4.254 0.005 . 1 . . . . 90 K HA . 18283 1 1024 . 1 1 90 90 LYS HB2 H 1 1.747 0.005 . 2 . . . . 90 K HB# . 18283 1 1025 . 1 1 90 90 LYS HB3 H 1 1.747 0.005 . 2 . . . . 90 K HB# . 18283 1 1026 . 1 1 90 90 LYS HG2 H 1 1.417 0.002 . 2 . . . . 90 K HG# . 18283 1 1027 . 1 1 90 90 LYS HG3 H 1 1.417 0.002 . 2 . . . . 90 K HG# . 18283 1 1028 . 1 1 90 90 LYS C C 13 176.639 0.071 . 1 . . . . 90 K C . 18283 1 1029 . 1 1 90 90 LYS CA C 13 56.746 0.064 . 1 . . . . 90 K CA . 18283 1 1030 . 1 1 90 90 LYS CB C 13 32.737 0.045 . 1 . . . . 90 K CB . 18283 1 1031 . 1 1 90 90 LYS CG C 13 24.760 0.05 . 1 . . . . 90 K CG . 18283 1 1032 . 1 1 90 90 LYS CD C 13 28.993 0.05 . 1 . . . . 90 K CD . 18283 1 1033 . 1 1 90 90 LYS CE C 13 42.193 0.05 . 1 . . . . 90 K CE . 18283 1 1034 . 1 1 90 90 LYS N N 15 122.172 0.036 . 1 . . . . 90 K N . 18283 1 stop_ save_