data_25210 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25210 _Entry.Title ; Shotgun proteolysis: A practical application ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-09-09 _Entry.Accession_date 2014-09-09 _Entry.Last_release_date 2014-09-15 _Entry.Original_release_date 2014-09-15 _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 Mark Allen . D. . 25210 2 M. Bycroft . . . 25210 3 S. Freund . M.V. . 25210 4 D. Christ . . . 25210 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25210 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . AllenGroup . 25210 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'STRUCTURAL PROTEIN' . 25210 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25210 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 853 25210 '13C chemical shifts' 524 25210 '15N chemical shifts' 111 25210 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 . . 2014-09-15 2014-09-09 original author . 25210 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4uzm 'PDBe entry' 25210 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25210 _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 'Shotgun proteolysis: A practical application' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To Be Published' _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 Mark Allen . D. . 25210 1 2 M. Bycroft . . . 25210 1 3 S. Freund . M.V. . 25210 1 4 D. Christ . . . 25210 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25210 _Assembly.ID 1 _Assembly.Name 'PUTATIVE MEMBRANE PROTEIN IGAA HOMOLOG' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _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 'not present' _Assembly.Molecular_mass 13419.934 _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 'PUTATIVE MEMBRANE PROTEIN IGAA HOMOLOG' 1 $PUTATIVE_MEMBRANE_PROTEIN_IGAA_HOMOLOG A . yes native no no . . . 25210 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PUTATIVE_MEMBRANE_PROTEIN_IGAA_HOMOLOG _Entity.Sf_category entity _Entity.Sf_framecode PUTATIVE_MEMBRANE_PROTEIN_IGAA_HOMOLOG _Entity.Entry_ID 25210 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PUTATIVE_MEMBRANE_PROTEIN_IGAA_HOMOLOG _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAFADAQTRKLTPEERSAVE NYLESLTQVLQVPGPTGASA APISLALNAESNNVMMLTHA ITRYGISTDDPNKWRYYLDS VEVHLPPFWEQYINDENTVE LIHTDSLPLVISLNGHTLQE ; _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 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13419.934 _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 yes UNP IGAA_ECOLI . P45800 . . . . . . . . . . . . . . 25210 1 2 no PDB 4UZM . "Shotgun Proteolysis: A Practical Application" . . . . . 100.00 120 100.00 100.00 1.29e-81 . . . . 25210 1 3 no DBJ BAB37663 . "putative dehydrogenase [Escherichia coli O157:H7 str. Sakai]" . . . . . 99.17 711 100.00 100.00 2.06e-74 . . . . 25210 1 4 no DBJ BAE77893 . "predicted inner membrane protein [Escherichia coli str. K12 substr. W3110]" . . . . . 99.17 711 100.00 100.00 2.12e-74 . . . . 25210 1 5 no DBJ BAG79184 . "putative dehydrogenase [Escherichia coli SE11]" . . . . . 99.17 711 99.16 100.00 1.39e-73 . . . . 25210 1 6 no DBJ BAI27656 . "predicted inner membrane protein [Escherichia coli O26:H11 str. 11368]" . . . . . 99.17 711 99.16 100.00 1.39e-73 . . . . 25210 1 7 no DBJ BAI32826 . "predicted inner membrane protein [Escherichia coli O103:H2 str. 12009]" . . . . . 99.17 711 99.16 100.00 1.39e-73 . . . . 25210 1 8 no EMBL CAP77845 . "membrane protein igaA homolog [Escherichia coli LF82]" . . . . . 99.17 711 98.32 98.32 1.00e-72 . . . . 25210 1 9 no EMBL CAQ33719 . "putative dehydrogenase [Escherichia coli BL21(DE3)]" . . . . . 99.17 711 100.00 100.00 2.01e-74 . . . . 25210 1 10 no EMBL CAR00337 . "intracellular growth attenuator protein [Escherichia coli IAI1]" . . . . . 99.17 711 99.16 100.00 1.25e-73 . . . . 25210 1 11 no EMBL CAR04998 . "intracellular growth attenuator protein [Escherichia coli S88]" . . . . . 99.17 711 98.32 98.32 1.20e-72 . . . . 25210 1 12 no EMBL CAR10194 . "intracellular growth attenuator protein [Escherichia coli ED1a]" . . . . . 99.17 711 99.16 99.16 2.79e-73 . . . . 25210 1 13 no GB AAA58195 . "ORF_o711 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 99.17 711 100.00 100.00 2.12e-74 . . . . 25210 1 14 no GB AAC76423 . "putative RcsCDB-response attenuator, inner membrane protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 99.17 711 100.00 100.00 2.12e-74 . . . . 25210 1 15 no GB AAG58498 . "putative dehydrogenase [Escherichia coli O157:H7 str. EDL933]" . . . . . 99.17 711 100.00 100.00 2.06e-74 . . . . 25210 1 16 no GB AAN44877 . "putative dehydrogenase [Shigella flexneri 2a str. 301]" . . . . . 99.17 711 99.16 99.16 4.32e-73 . . . . 25210 1 17 no GB AAN82607 . "Putative membrane protein igaA homolog [Escherichia coli CFT073]" . . . . . 99.17 711 98.32 98.32 1.00e-72 . . . . 25210 1 18 no REF NP_312267 . "dehydrogenase [Escherichia coli O157:H7 str. Sakai]" . . . . . 99.17 711 100.00 100.00 2.06e-74 . . . . 25210 1 19 no REF NP_417857 . "putative RcsCDB-response attenuator, inner membrane protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 99.17 711 100.00 100.00 2.12e-74 . . . . 25210 1 20 no REF NP_709170 . "dehydrogenase [Shigella flexneri 2a str. 301]" . . . . . 99.17 711 99.16 99.16 4.32e-73 . . . . 25210 1 21 no REF WP_000104248 . "Intracellular growth attenuator protein igaA [Escherichia coli]" . . . . . 99.17 711 99.16 100.00 1.39e-73 . . . . 25210 1 22 no REF WP_000104249 . "intracellular growth attenuator protein IgaA [Escherichia coli]" . . . . . 99.17 711 99.16 99.16 2.79e-73 . . . . 25210 1 23 no SP P45800 . "RecName: Full=Putative membrane protein IgaA homolog" . . . . . 99.17 711 100.00 100.00 2.12e-74 . . . . 25210 1 24 no SP P58720 . "RecName: Full=Putative membrane protein IgaA homolog" . . . . . 99.17 711 100.00 100.00 2.06e-74 . . . . 25210 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 25210 1 2 . ALA . 25210 1 3 . PHE . 25210 1 4 . ALA . 25210 1 5 . ASP . 25210 1 6 . ALA . 25210 1 7 . GLN . 25210 1 8 . THR . 25210 1 9 . ARG . 25210 1 10 . LYS . 25210 1 11 . LEU . 25210 1 12 . THR . 25210 1 13 . PRO . 25210 1 14 . GLU . 25210 1 15 . GLU . 25210 1 16 . ARG . 25210 1 17 . SER . 25210 1 18 . ALA . 25210 1 19 . VAL . 25210 1 20 . GLU . 25210 1 21 . ASN . 25210 1 22 . TYR . 25210 1 23 . LEU . 25210 1 24 . GLU . 25210 1 25 . SER . 25210 1 26 . LEU . 25210 1 27 . THR . 25210 1 28 . GLN . 25210 1 29 . VAL . 25210 1 30 . LEU . 25210 1 31 . GLN . 25210 1 32 . VAL . 25210 1 33 . PRO . 25210 1 34 . GLY . 25210 1 35 . PRO . 25210 1 36 . THR . 25210 1 37 . GLY . 25210 1 38 . ALA . 25210 1 39 . SER . 25210 1 40 . ALA . 25210 1 41 . ALA . 25210 1 42 . PRO . 25210 1 43 . ILE . 25210 1 44 . SER . 25210 1 45 . LEU . 25210 1 46 . ALA . 25210 1 47 . LEU . 25210 1 48 . ASN . 25210 1 49 . ALA . 25210 1 50 . GLU . 25210 1 51 . SER . 25210 1 52 . ASN . 25210 1 53 . ASN . 25210 1 54 . VAL . 25210 1 55 . MET . 25210 1 56 . MET . 25210 1 57 . LEU . 25210 1 58 . THR . 25210 1 59 . HIS . 25210 1 60 . ALA . 25210 1 61 . ILE . 25210 1 62 . THR . 25210 1 63 . ARG . 25210 1 64 . TYR . 25210 1 65 . GLY . 25210 1 66 . ILE . 25210 1 67 . SER . 25210 1 68 . THR . 25210 1 69 . ASP . 25210 1 70 . ASP . 25210 1 71 . PRO . 25210 1 72 . ASN . 25210 1 73 . LYS . 25210 1 74 . TRP . 25210 1 75 . ARG . 25210 1 76 . TYR . 25210 1 77 . TYR . 25210 1 78 . LEU . 25210 1 79 . ASP . 25210 1 80 . SER . 25210 1 81 . VAL . 25210 1 82 . GLU . 25210 1 83 . VAL . 25210 1 84 . HIS . 25210 1 85 . LEU . 25210 1 86 . PRO . 25210 1 87 . PRO . 25210 1 88 . PHE . 25210 1 89 . TRP . 25210 1 90 . GLU . 25210 1 91 . GLN . 25210 1 92 . TYR . 25210 1 93 . ILE . 25210 1 94 . ASN . 25210 1 95 . ASP . 25210 1 96 . GLU . 25210 1 97 . ASN . 25210 1 98 . THR . 25210 1 99 . VAL . 25210 1 100 . GLU . 25210 1 101 . LEU . 25210 1 102 . ILE . 25210 1 103 . HIS . 25210 1 104 . THR . 25210 1 105 . ASP . 25210 1 106 . SER . 25210 1 107 . LEU . 25210 1 108 . PRO . 25210 1 109 . LEU . 25210 1 110 . VAL . 25210 1 111 . ILE . 25210 1 112 . SER . 25210 1 113 . LEU . 25210 1 114 . ASN . 25210 1 115 . GLY . 25210 1 116 . HIS . 25210 1 117 . THR . 25210 1 118 . LEU . 25210 1 119 . GLN . 25210 1 120 . GLU . 25210 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25210 1 . ALA 2 2 25210 1 . PHE 3 3 25210 1 . ALA 4 4 25210 1 . ASP 5 5 25210 1 . ALA 6 6 25210 1 . GLN 7 7 25210 1 . THR 8 8 25210 1 . ARG 9 9 25210 1 . LYS 10 10 25210 1 . LEU 11 11 25210 1 . THR 12 12 25210 1 . PRO 13 13 25210 1 . GLU 14 14 25210 1 . GLU 15 15 25210 1 . ARG 16 16 25210 1 . SER 17 17 25210 1 . ALA 18 18 25210 1 . VAL 19 19 25210 1 . GLU 20 20 25210 1 . ASN 21 21 25210 1 . TYR 22 22 25210 1 . LEU 23 23 25210 1 . GLU 24 24 25210 1 . SER 25 25 25210 1 . LEU 26 26 25210 1 . THR 27 27 25210 1 . GLN 28 28 25210 1 . VAL 29 29 25210 1 . LEU 30 30 25210 1 . GLN 31 31 25210 1 . VAL 32 32 25210 1 . PRO 33 33 25210 1 . GLY 34 34 25210 1 . PRO 35 35 25210 1 . THR 36 36 25210 1 . GLY 37 37 25210 1 . ALA 38 38 25210 1 . SER 39 39 25210 1 . ALA 40 40 25210 1 . ALA 41 41 25210 1 . PRO 42 42 25210 1 . ILE 43 43 25210 1 . SER 44 44 25210 1 . LEU 45 45 25210 1 . ALA 46 46 25210 1 . LEU 47 47 25210 1 . ASN 48 48 25210 1 . ALA 49 49 25210 1 . GLU 50 50 25210 1 . SER 51 51 25210 1 . ASN 52 52 25210 1 . ASN 53 53 25210 1 . VAL 54 54 25210 1 . MET 55 55 25210 1 . MET 56 56 25210 1 . LEU 57 57 25210 1 . THR 58 58 25210 1 . HIS 59 59 25210 1 . ALA 60 60 25210 1 . ILE 61 61 25210 1 . THR 62 62 25210 1 . ARG 63 63 25210 1 . TYR 64 64 25210 1 . GLY 65 65 25210 1 . ILE 66 66 25210 1 . SER 67 67 25210 1 . THR 68 68 25210 1 . ASP 69 69 25210 1 . ASP 70 70 25210 1 . PRO 71 71 25210 1 . ASN 72 72 25210 1 . LYS 73 73 25210 1 . TRP 74 74 25210 1 . ARG 75 75 25210 1 . TYR 76 76 25210 1 . TYR 77 77 25210 1 . LEU 78 78 25210 1 . ASP 79 79 25210 1 . SER 80 80 25210 1 . VAL 81 81 25210 1 . GLU 82 82 25210 1 . VAL 83 83 25210 1 . HIS 84 84 25210 1 . LEU 85 85 25210 1 . PRO 86 86 25210 1 . PRO 87 87 25210 1 . PHE 88 88 25210 1 . TRP 89 89 25210 1 . GLU 90 90 25210 1 . GLN 91 91 25210 1 . TYR 92 92 25210 1 . ILE 93 93 25210 1 . ASN 94 94 25210 1 . ASP 95 95 25210 1 . GLU 96 96 25210 1 . ASN 97 97 25210 1 . THR 98 98 25210 1 . VAL 99 99 25210 1 . GLU 100 100 25210 1 . LEU 101 101 25210 1 . ILE 102 102 25210 1 . HIS 103 103 25210 1 . THR 104 104 25210 1 . ASP 105 105 25210 1 . SER 106 106 25210 1 . LEU 107 107 25210 1 . PRO 108 108 25210 1 . LEU 109 109 25210 1 . VAL 110 110 25210 1 . ILE 111 111 25210 1 . SER 112 112 25210 1 . LEU 113 113 25210 1 . ASN 114 114 25210 1 . GLY 115 115 25210 1 . HIS 116 116 25210 1 . THR 117 117 25210 1 . LEU 118 118 25210 1 . GLN 119 119 25210 1 . GLU 120 120 25210 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 25210 _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 $PUTATIVE_MEMBRANE_PROTEIN_IGAA_HOMOLOG . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 25210 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 25210 _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 $PUTATIVE_MEMBRANE_PROTEIN_IGAA_HOMOLOG . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli . . . . . . . . . . . . . 'modified pRSETa' . . na . . . . . . 25210 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25210 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.5 mmol/l' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% water/5% 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 'PUTATIVE MEMBRANE PROTEIN IGAA HOMOLOG' '[U-13C; U-15N]' . . 1 $PUTATIVE_MEMBRANE_PROTEIN_IGAA_HOMOLOG . . 1.5 . . mM . . . . 25210 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25210 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 25210 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25210 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [6.5], temp [293], pressure [0.0], ionStrength [120.0]' 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' 120.000 . mM 25210 1 pH 6.500 . pH 25210 1 pressure 1 . atm 25210 1 temperature 293.000 . K 25210 1 stop_ save_ ############################ # Computer software used # ############################ save_Ansig _Software.Sf_category software _Software.Sf_framecode Ansig _Software.Entry_ID 25210 _Software.ID 1 _Software.Name Ansig _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Kraulis . . 25210 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25210 1 stop_ save_ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 25210 _Software.ID 2 _Software.Name AutoDep _Software.Version 4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID PDBe . . 25210 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25210 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 25210 _Software.ID 3 _Software.Name CNS _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25210 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25210 3 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 25210 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25210 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25210 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25210 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 25210 1 2 spectrometer_2 Bruker Avance . 600 . . . 25210 1 3 spectrometer_3 Bruker Avance . 800 . . . 25210 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 25210 _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 '1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25210 1 2 '1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25210 1 3 HNCACB no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25210 1 4 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25210 1 5 HNCO no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25210 1 6 HN(CA)CO no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25210 1 7 HNHB no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25210 1 8 1H-NOESY no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25210 1 9 1H-DQF-COSY no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25210 1 10 1H-TOCSY no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25210 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 25210 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 25210 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.251449519 . . . . . . . . . 25210 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 25210 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4uzm/ebi/yrf.dep_3.data.csh' _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 '1H-15N HSQC' 1 $sample_1 solution 25210 1 2 '1H-13C HSQC' 1 $sample_1 solution 25210 1 3 HNCACB 1 $sample_1 solution 25210 1 4 CBCA(CO)NH 1 $sample_1 solution 25210 1 5 HNCO 1 $sample_1 solution 25210 1 6 HN(CA)CO 1 $sample_1 solution 25210 1 7 HNHB 1 $sample_1 solution 25210 1 8 1H-NOESY 1 $sample_1 solution 25210 1 9 1H-DQF-COSY 1 $sample_1 solution 25210 1 10 1H-TOCSY 1 $sample_1 solution 25210 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $CNS . . 25210 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA H H 1 8.649 0.01 . 1 . 2 . . 2 ALA H . 25210 1 2 . 1 1 2 2 ALA HA H 1 4.063 0.01 . 1 . 4 . . 2 ALA HA . 25210 1 3 . 1 1 2 2 ALA HB1 H 1 1.007 0.01 . 1 . 7 . . 2 ALA HB1 . 25210 1 4 . 1 1 2 2 ALA HB2 H 1 1.007 0.01 . 1 . 7 . . 2 ALA HB2 . 25210 1 5 . 1 1 2 2 ALA HB3 H 1 1.007 0.01 . 1 . 7 . . 2 ALA HB3 . 25210 1 6 . 1 1 2 2 ALA C C 13 177.610 0.10 . 1 . 5 . . 2 ALA C . 25210 1 7 . 1 1 2 2 ALA CA C 13 53.430 0.10 . 1 . 3 . . 2 ALA CA . 25210 1 8 . 1 1 2 2 ALA CB C 13 19.020 0.10 . 1 . 6 . . 2 ALA CB . 25210 1 9 . 1 1 2 2 ALA N N 15 124.380 0.10 . 1 . 1 . . 2 ALA N . 25210 1 10 . 1 1 3 3 PHE H H 1 7.963 0.01 . 1 . 9 . . 3 PHE H . 25210 1 11 . 1 1 3 3 PHE HA H 1 4.574 0.01 . 1 . 11 . . 3 PHE HA . 25210 1 12 . 1 1 3 3 PHE HB2 H 1 3.210 0.01 . 1 . 14 . . 3 PHE HB2 . 25210 1 13 . 1 1 3 3 PHE HB3 H 1 3.059 0.01 . 1 . 15 . . 3 PHE HB3 . 25210 1 14 . 1 1 3 3 PHE HD1 H 1 7.149 0.01 . 1 . 20 . . 3 PHE HD1 . 25210 1 15 . 1 1 3 3 PHE HD2 H 1 7.149 0.01 . 1 . 21 . . 3 PHE HD2 . 25210 1 16 . 1 1 3 3 PHE HE1 H 1 7.030 0.01 . 1 . 24 . . 3 PHE HE1 . 25210 1 17 . 1 1 3 3 PHE HE2 H 1 7.030 0.01 . 1 . 25 . . 3 PHE HE2 . 25210 1 18 . 1 1 3 3 PHE HZ H 1 6.894 0.01 . 1 . 17 . . 3 PHE HZ . 25210 1 19 . 1 1 3 3 PHE C C 13 176.780 0.10 . 1 . 12 . . 3 PHE C . 25210 1 20 . 1 1 3 3 PHE CA C 13 56.780 0.10 . 1 . 10 . . 3 PHE CA . 25210 1 21 . 1 1 3 3 PHE CB C 13 38.500 0.10 . 1 . 13 . . 3 PHE CB . 25210 1 22 . 1 1 3 3 PHE CD1 C 13 131.160 0.10 . 1 . 18 . . 3 PHE CD1 . 25210 1 23 . 1 1 3 3 PHE CD2 C 13 131.160 0.10 . 1 . 19 . . 3 PHE CD2 . 25210 1 24 . 1 1 3 3 PHE CE1 C 13 129.900 0.10 . 1 . 22 . . 3 PHE CE1 . 25210 1 25 . 1 1 3 3 PHE CE2 C 13 129.900 0.10 . 1 . 23 . . 3 PHE CE2 . 25210 1 26 . 1 1 3 3 PHE CZ C 13 128.060 0.10 . 1 . 16 . . 3 PHE CZ . 25210 1 27 . 1 1 3 3 PHE N N 15 115.340 0.10 . 1 . 8 . . 3 PHE N . 25210 1 28 . 1 1 4 4 ALA H H 1 8.108 0.01 . 1 . 27 . . 4 ALA H . 25210 1 29 . 1 1 4 4 ALA HA H 1 4.099 0.01 . 1 . 29 . . 4 ALA HA . 25210 1 30 . 1 1 4 4 ALA HB1 H 1 1.412 0.01 . 1 . 32 . . 4 ALA HB1 . 25210 1 31 . 1 1 4 4 ALA HB2 H 1 1.412 0.01 . 1 . 32 . . 4 ALA HB2 . 25210 1 32 . 1 1 4 4 ALA HB3 H 1 1.412 0.01 . 1 . 32 . . 4 ALA HB3 . 25210 1 33 . 1 1 4 4 ALA C C 13 178.170 0.10 . 1 . 30 . . 4 ALA C . 25210 1 34 . 1 1 4 4 ALA CA C 13 54.720 0.10 . 1 . 28 . . 4 ALA CA . 25210 1 35 . 1 1 4 4 ALA CB C 13 18.970 0.10 . 1 . 31 . . 4 ALA CB . 25210 1 36 . 1 1 4 4 ALA N N 15 123.150 0.10 . 1 . 26 . . 4 ALA N . 25210 1 37 . 1 1 5 5 ASP H H 1 8.506 0.01 . 1 . 34 . . 5 ASP H . 25210 1 38 . 1 1 5 5 ASP HA H 1 4.663 0.01 . 1 . 36 . . 5 ASP HA . 25210 1 39 . 1 1 5 5 ASP HB2 H 1 2.717 0.01 . 2 . 39 . . 5 ASP HB2 . 25210 1 40 . 1 1 5 5 ASP HB3 H 1 2.813 0.01 . 2 . 40 . . 5 ASP HB3 . 25210 1 41 . 1 1 5 5 ASP C C 13 175.900 0.10 . 1 . 37 . . 5 ASP C . 25210 1 42 . 1 1 5 5 ASP CA C 13 53.810 0.10 . 1 . 35 . . 5 ASP CA . 25210 1 43 . 1 1 5 5 ASP CB C 13 40.500 0.10 . 1 . 38 . . 5 ASP CB . 25210 1 44 . 1 1 5 5 ASP N N 15 114.550 0.10 . 1 . 33 . . 5 ASP N . 25210 1 45 . 1 1 6 6 ALA H H 1 7.514 0.01 . 1 . 42 . . 6 ALA H . 25210 1 46 . 1 1 6 6 ALA HA H 1 4.454 0.01 . 1 . 44 . . 6 ALA HA . 25210 1 47 . 1 1 6 6 ALA HB1 H 1 1.439 0.01 . 1 . 47 . . 6 ALA HB1 . 25210 1 48 . 1 1 6 6 ALA HB2 H 1 1.439 0.01 . 1 . 47 . . 6 ALA HB2 . 25210 1 49 . 1 1 6 6 ALA HB3 H 1 1.439 0.01 . 1 . 47 . . 6 ALA HB3 . 25210 1 50 . 1 1 6 6 ALA C C 13 178.070 0.10 . 1 . 45 . . 6 ALA C . 25210 1 51 . 1 1 6 6 ALA CA C 13 52.580 0.10 . 1 . 43 . . 6 ALA CA . 25210 1 52 . 1 1 6 6 ALA CB C 13 19.620 0.10 . 1 . 46 . . 6 ALA CB . 25210 1 53 . 1 1 6 6 ALA N N 15 121.950 0.10 . 1 . 41 . . 6 ALA N . 25210 1 54 . 1 1 7 7 GLN H H 1 8.394 0.01 . 1 . 49 . . 7 GLN H . 25210 1 55 . 1 1 7 7 GLN HA H 1 4.528 0.01 . 1 . 51 . . 7 GLN HA . 25210 1 56 . 1 1 7 7 GLN HB2 H 1 2.202 0.01 . 2 . 54 . . 7 GLN HB2 . 25210 1 57 . 1 1 7 7 GLN HB3 H 1 2.021 0.01 . 2 . 55 . . 7 GLN HB3 . 25210 1 58 . 1 1 7 7 GLN HG2 H 1 2.522 0.01 . 2 . 57 . . 7 GLN HG2 . 25210 1 59 . 1 1 7 7 GLN HG3 H 1 2.472 0.01 . 2 . 58 . . 7 GLN HG3 . 25210 1 60 . 1 1 7 7 GLN HE21 H 1 6.845 0.01 . 1 . 59 . . 7 GLN HE21 . 25210 1 61 . 1 1 7 7 GLN HE22 H 1 7.564 0.01 . 1 . 60 . . 7 GLN HE22 . 25210 1 62 . 1 1 7 7 GLN C C 13 175.580 0.10 . 1 . 52 . . 7 GLN C . 25210 1 63 . 1 1 7 7 GLN CA C 13 55.780 0.10 . 1 . 50 . . 7 GLN CA . 25210 1 64 . 1 1 7 7 GLN CB C 13 30.460 0.10 . 1 . 53 . . 7 GLN CB . 25210 1 65 . 1 1 7 7 GLN CG C 13 34.320 0.10 . 1 . 56 . . 7 GLN CG . 25210 1 66 . 1 1 7 7 GLN N N 15 120.840 0.10 . 1 . 48 . . 7 GLN N . 25210 1 67 . 1 1 8 8 THR H H 1 8.353 0.01 . 1 . 62 . . 8 THR H . 25210 1 68 . 1 1 8 8 THR HA H 1 5.948 0.01 . 1 . 64 . . 8 THR HA . 25210 1 69 . 1 1 8 8 THR HB H 1 4.070 0.01 . 1 . 67 . . 8 THR HB . 25210 1 70 . 1 1 8 8 THR HG21 H 1 1.112 0.01 . 1 . 69 . . 8 THR HG21 . 25210 1 71 . 1 1 8 8 THR HG22 H 1 1.112 0.01 . 1 . 69 . . 8 THR HG22 . 25210 1 72 . 1 1 8 8 THR HG23 H 1 1.112 0.01 . 1 . 69 . . 8 THR HG23 . 25210 1 73 . 1 1 8 8 THR C C 13 174.410 0.10 . 1 . 65 . . 8 THR C . 25210 1 74 . 1 1 8 8 THR CA C 13 59.670 0.10 . 1 . 63 . . 8 THR CA . 25210 1 75 . 1 1 8 8 THR CB C 13 72.760 0.10 . 1 . 66 . . 8 THR CB . 25210 1 76 . 1 1 8 8 THR CG2 C 13 21.380 0.10 . 1 . 68 . . 8 THR CG2 . 25210 1 77 . 1 1 8 8 THR N N 15 112.330 0.10 . 1 . 61 . . 8 THR N . 25210 1 78 . 1 1 9 9 ARG H H 1 8.687 0.01 . 1 . 71 . . 9 ARG H . 25210 1 79 . 1 1 9 9 ARG HA H 1 4.797 0.01 . 1 . 73 . . 9 ARG HA . 25210 1 80 . 1 1 9 9 ARG HB2 H 1 1.856 0.01 . 1 . 76 . . 9 ARG HB2 . 25210 1 81 . 1 1 9 9 ARG HB3 H 1 1.856 0.01 . 1 . 77 . . 9 ARG HB3 . 25210 1 82 . 1 1 9 9 ARG HG2 H 1 1.396 0.01 . 2 . 79 . . 9 ARG HG2 . 25210 1 83 . 1 1 9 9 ARG HG3 H 1 1.194 0.01 . 2 . 80 . . 9 ARG HG3 . 25210 1 84 . 1 1 9 9 ARG HD2 H 1 3.042 0.01 . 2 . 82 . . 9 ARG HD2 . 25210 1 85 . 1 1 9 9 ARG HD3 H 1 3.091 0.01 . 2 . 83 . . 9 ARG HD3 . 25210 1 86 . 1 1 9 9 ARG HE H 1 6.999 0.01 . 1 . 84 . . 9 ARG HE . 25210 1 87 . 1 1 9 9 ARG C C 13 174.070 0.10 . 1 . 74 . . 9 ARG C . 25210 1 88 . 1 1 9 9 ARG CA C 13 54.450 0.10 . 1 . 72 . . 9 ARG CA . 25210 1 89 . 1 1 9 9 ARG CB C 13 32.180 0.10 . 1 . 75 . . 9 ARG CB . 25210 1 90 . 1 1 9 9 ARG CG C 13 26.870 0.10 . 1 . 78 . . 9 ARG CG . 25210 1 91 . 1 1 9 9 ARG CD C 13 43.140 0.10 . 1 . 81 . . 9 ARG CD . 25210 1 92 . 1 1 9 9 ARG N N 15 118.280 0.10 . 1 . 70 . . 9 ARG N . 25210 1 93 . 1 1 10 10 LYS H H 1 8.472 0.01 . 1 . 86 . . 10 LYS H . 25210 1 94 . 1 1 10 10 LYS HA H 1 4.974 0.01 . 1 . 88 . . 10 LYS HA . 25210 1 95 . 1 1 10 10 LYS HB2 H 1 1.768 0.01 . 2 . 91 . . 10 LYS HB2 . 25210 1 96 . 1 1 10 10 LYS HB3 H 1 1.726 0.01 . 2 . 92 . . 10 LYS HB3 . 25210 1 97 . 1 1 10 10 LYS HG2 H 1 1.514 0.01 . 2 . 94 . . 10 LYS HG2 . 25210 1 98 . 1 1 10 10 LYS HG3 H 1 1.485 0.01 . 2 . 95 . . 10 LYS HG3 . 25210 1 99 . 1 1 10 10 LYS HD2 H 1 1.622 0.01 . 1 . 97 . . 10 LYS HD2 . 25210 1 100 . 1 1 10 10 LYS HD3 H 1 1.622 0.01 . 1 . 98 . . 10 LYS HD3 . 25210 1 101 . 1 1 10 10 LYS HE2 H 1 2.968 0.01 . 1 . 100 . . 10 LYS HE2 . 25210 1 102 . 1 1 10 10 LYS HE3 H 1 2.968 0.01 . 1 . 101 . . 10 LYS HE3 . 25210 1 103 . 1 1 10 10 LYS C C 13 177.290 0.10 . 1 . 89 . . 10 LYS C . 25210 1 104 . 1 1 10 10 LYS CA C 13 55.360 0.10 . 1 . 87 . . 10 LYS CA . 25210 1 105 . 1 1 10 10 LYS CB C 13 33.040 0.10 . 1 . 90 . . 10 LYS CB . 25210 1 106 . 1 1 10 10 LYS CG C 13 24.710 0.10 . 1 . 93 . . 10 LYS CG . 25210 1 107 . 1 1 10 10 LYS CD C 13 28.660 0.10 . 1 . 96 . . 10 LYS CD . 25210 1 108 . 1 1 10 10 LYS CE C 13 42.230 0.10 . 1 . 99 . . 10 LYS CE . 25210 1 109 . 1 1 10 10 LYS N N 15 118.880 0.10 . 1 . 85 . . 10 LYS N . 25210 1 110 . 1 1 11 11 LEU H H 1 8.418 0.01 . 1 . 103 . . 11 LEU H . 25210 1 111 . 1 1 11 11 LEU HA H 1 4.234 0.01 . 1 . 105 . . 11 LEU HA . 25210 1 112 . 1 1 11 11 LEU HB2 H 1 1.314 0.01 . 1 . 108 . . 11 LEU HB2 . 25210 1 113 . 1 1 11 11 LEU HB3 H 1 1.844 0.01 . 1 . 109 . . 11 LEU HB3 . 25210 1 114 . 1 1 11 11 LEU HG H 1 1.737 0.01 . 1 . 111 . . 11 LEU HG . 25210 1 115 . 1 1 11 11 LEU HD11 H 1 0.799 0.01 . 2 . 113 . . 11 LEU HD11 . 25210 1 116 . 1 1 11 11 LEU HD12 H 1 0.799 0.01 . 2 . 113 . . 11 LEU HD12 . 25210 1 117 . 1 1 11 11 LEU HD13 H 1 0.799 0.01 . 2 . 113 . . 11 LEU HD13 . 25210 1 118 . 1 1 11 11 LEU HD21 H 1 0.834 0.01 . 2 . 115 . . 11 LEU HD21 . 25210 1 119 . 1 1 11 11 LEU HD22 H 1 0.834 0.01 . 2 . 115 . . 11 LEU HD22 . 25210 1 120 . 1 1 11 11 LEU HD23 H 1 0.834 0.01 . 2 . 115 . . 11 LEU HD23 . 25210 1 121 . 1 1 11 11 LEU C C 13 177.740 0.10 . 1 . 106 . . 11 LEU C . 25210 1 122 . 1 1 11 11 LEU CA C 13 55.200 0.10 . 1 . 104 . . 11 LEU CA . 25210 1 123 . 1 1 11 11 LEU CB C 13 43.890 0.10 . 1 . 107 . . 11 LEU CB . 25210 1 124 . 1 1 11 11 LEU CG C 13 26.580 0.10 . 1 . 110 . . 11 LEU CG . 25210 1 125 . 1 1 11 11 LEU CD1 C 13 25.270 0.10 . 1 . 112 . . 11 LEU CD1 . 25210 1 126 . 1 1 11 11 LEU CD2 C 13 25.790 0.10 . 1 . 114 . . 11 LEU CD2 . 25210 1 127 . 1 1 11 11 LEU N N 15 126.100 0.10 . 1 . 102 . . 11 LEU N . 25210 1 128 . 1 1 12 12 THR H H 1 9.356 0.01 . 1 . 117 . . 12 THR H . 25210 1 129 . 1 1 12 12 THR HA H 1 4.667 0.01 . 1 . 119 . . 12 THR HA . 25210 1 130 . 1 1 12 12 THR HB H 1 4.788 0.01 . 1 . 122 . . 12 THR HB . 25210 1 131 . 1 1 12 12 THR HG21 H 1 1.343 0.01 . 1 . 124 . . 12 THR HG21 . 25210 1 132 . 1 1 12 12 THR HG22 H 1 1.343 0.01 . 1 . 124 . . 12 THR HG22 . 25210 1 133 . 1 1 12 12 THR HG23 H 1 1.343 0.01 . 1 . 124 . . 12 THR HG23 . 25210 1 134 . 1 1 12 12 THR C C 13 173.660 0.10 . 1 . 120 . . 12 THR C . 25210 1 135 . 1 1 12 12 THR CA C 13 61.060 0.10 . 1 . 118 . . 12 THR CA . 25210 1 136 . 1 1 12 12 THR CB C 13 68.350 0.10 . 1 . 121 . . 12 THR CB . 25210 1 137 . 1 1 12 12 THR CG2 C 13 21.910 0.10 . 1 . 123 . . 12 THR CG2 . 25210 1 138 . 1 1 12 12 THR N N 15 122.450 0.10 . 1 . 116 . . 12 THR N . 25210 1 139 . 1 1 13 13 PRO HA H 1 4.224 0.01 . 1 . 126 . . 13 PRO HA . 25210 1 140 . 1 1 13 13 PRO HB2 H 1 1.887 0.01 . 2 . 129 . . 13 PRO HB2 . 25210 1 141 . 1 1 13 13 PRO HB3 H 1 2.359 0.01 . 2 . 130 . . 13 PRO HB3 . 25210 1 142 . 1 1 13 13 PRO HG2 H 1 2.225 0.01 . 2 . 132 . . 13 PRO HG2 . 25210 1 143 . 1 1 13 13 PRO HG3 H 1 2.016 0.01 . 2 . 133 . . 13 PRO HG3 . 25210 1 144 . 1 1 13 13 PRO HD2 H 1 3.900 0.01 . 1 . 135 . . 13 PRO HD2 . 25210 1 145 . 1 1 13 13 PRO HD3 H 1 3.939 0.01 . 1 . 136 . . 13 PRO HD3 . 25210 1 146 . 1 1 13 13 PRO C C 13 179.770 0.10 . 1 . 127 . . 13 PRO C . 25210 1 147 . 1 1 13 13 PRO CA C 13 65.750 0.10 . 1 . 125 . . 13 PRO CA . 25210 1 148 . 1 1 13 13 PRO CB C 13 31.900 0.10 . 1 . 128 . . 13 PRO CB . 25210 1 149 . 1 1 13 13 PRO CG C 13 28.270 0.10 . 1 . 131 . . 13 PRO CG . 25210 1 150 . 1 1 13 13 PRO CD C 13 50.390 0.10 . 1 . 134 . . 13 PRO CD . 25210 1 151 . 1 1 14 14 GLU H H 1 8.916 0.01 . 1 . 138 . . 14 GLU H . 25210 1 152 . 1 1 14 14 GLU HA H 1 4.053 0.01 . 1 . 140 . . 14 GLU HA . 25210 1 153 . 1 1 14 14 GLU HB2 H 1 1.911 0.01 . 2 . 143 . . 14 GLU HB2 . 25210 1 154 . 1 1 14 14 GLU HB3 H 1 2.038 0.01 . 2 . 144 . . 14 GLU HB3 . 25210 1 155 . 1 1 14 14 GLU HG2 H 1 2.484 0.01 . 2 . 146 . . 14 GLU HG2 . 25210 1 156 . 1 1 14 14 GLU HG3 H 1 2.235 0.01 . 2 . 147 . . 14 GLU HG3 . 25210 1 157 . 1 1 14 14 GLU C C 13 180.330 0.10 . 1 . 141 . . 14 GLU C . 25210 1 158 . 1 1 14 14 GLU CA C 13 60.490 0.10 . 1 . 139 . . 14 GLU CA . 25210 1 159 . 1 1 14 14 GLU CB C 13 28.660 0.10 . 1 . 142 . . 14 GLU CB . 25210 1 160 . 1 1 14 14 GLU CG C 13 37.290 0.10 . 1 . 145 . . 14 GLU CG . 25210 1 161 . 1 1 14 14 GLU N N 15 117.660 0.10 . 1 . 137 . . 14 GLU N . 25210 1 162 . 1 1 15 15 GLU H H 1 7.885 0.01 . 1 . 149 . . 15 GLU H . 25210 1 163 . 1 1 15 15 GLU HA H 1 3.949 0.01 . 1 . 151 . . 15 GLU HA . 25210 1 164 . 1 1 15 15 GLU HB2 H 1 2.410 0.01 . 2 . 154 . . 15 GLU HB2 . 25210 1 165 . 1 1 15 15 GLU HB3 H 1 1.818 0.01 . 2 . 155 . . 15 GLU HB3 . 25210 1 166 . 1 1 15 15 GLU HG2 H 1 2.168 0.01 . 2 . 157 . . 15 GLU HG2 . 25210 1 167 . 1 1 15 15 GLU HG3 H 1 2.379 0.01 . 2 . 158 . . 15 GLU HG3 . 25210 1 168 . 1 1 15 15 GLU C C 13 178.930 0.10 . 1 . 152 . . 15 GLU C . 25210 1 169 . 1 1 15 15 GLU CA C 13 59.010 0.10 . 1 . 150 . . 15 GLU CA . 25210 1 170 . 1 1 15 15 GLU CB C 13 30.710 0.10 . 1 . 153 . . 15 GLU CB . 25210 1 171 . 1 1 15 15 GLU CG C 13 37.660 0.10 . 1 . 156 . . 15 GLU CG . 25210 1 172 . 1 1 15 15 GLU N N 15 121.130 0.10 . 1 . 148 . . 15 GLU N . 25210 1 173 . 1 1 16 16 ARG H H 1 8.807 0.01 . 1 . 160 . . 16 ARG H . 25210 1 174 . 1 1 16 16 ARG HA H 1 3.700 0.01 . 1 . 162 . . 16 ARG HA . 25210 1 175 . 1 1 16 16 ARG HB2 H 1 2.019 0.01 . 2 . 165 . . 16 ARG HB2 . 25210 1 176 . 1 1 16 16 ARG HB3 H 1 1.750 0.01 . 2 . 166 . . 16 ARG HB3 . 25210 1 177 . 1 1 16 16 ARG HG2 H 1 1.620 0.01 . 2 . 168 . . 16 ARG HG2 . 25210 1 178 . 1 1 16 16 ARG HG3 H 1 1.335 0.01 . 2 . 169 . . 16 ARG HG3 . 25210 1 179 . 1 1 16 16 ARG HD2 H 1 3.075 0.01 . 2 . 171 . . 16 ARG HD2 . 25210 1 180 . 1 1 16 16 ARG HD3 H 1 3.144 0.01 . 2 . 172 . . 16 ARG HD3 . 25210 1 181 . 1 1 16 16 ARG HE H 1 7.602 0.01 . 1 . 173 . . 16 ARG HE . 25210 1 182 . 1 1 16 16 ARG C C 13 178.100 0.10 . 1 . 163 . . 16 ARG C . 25210 1 183 . 1 1 16 16 ARG CA C 13 60.150 0.10 . 1 . 161 . . 16 ARG CA . 25210 1 184 . 1 1 16 16 ARG CB C 13 29.180 0.10 . 1 . 164 . . 16 ARG CB . 25210 1 185 . 1 1 16 16 ARG CG C 13 27.770 0.10 . 1 . 167 . . 16 ARG CG . 25210 1 186 . 1 1 16 16 ARG CD C 13 42.890 0.10 . 1 . 170 . . 16 ARG CD . 25210 1 187 . 1 1 16 16 ARG N N 15 119.980 0.10 . 1 . 159 . . 16 ARG N . 25210 1 188 . 1 1 17 17 SER H H 1 8.024 0.01 . 1 . 175 . . 17 SER H . 25210 1 189 . 1 1 17 17 SER HA H 1 4.248 0.01 . 1 . 177 . . 17 SER HA . 25210 1 190 . 1 1 17 17 SER HB2 H 1 3.925 0.01 . 1 . 180 . . 17 SER HB2 . 25210 1 191 . 1 1 17 17 SER HB3 H 1 3.925 0.01 . 1 . 181 . . 17 SER HB3 . 25210 1 192 . 1 1 17 17 SER C C 13 176.570 0.10 . 1 . 178 . . 17 SER C . 25210 1 193 . 1 1 17 17 SER CA C 13 61.780 0.10 . 1 . 176 . . 17 SER CA . 25210 1 194 . 1 1 17 17 SER CB C 13 62.720 0.10 . 1 . 179 . . 17 SER CB . 25210 1 195 . 1 1 17 17 SER N N 15 113.270 0.10 . 1 . 174 . . 17 SER N . 25210 1 196 . 1 1 18 18 ALA H H 1 7.582 0.01 . 1 . 183 . . 18 ALA H . 25210 1 197 . 1 1 18 18 ALA HA H 1 4.236 0.01 . 1 . 185 . . 18 ALA HA . 25210 1 198 . 1 1 18 18 ALA HB1 H 1 1.515 0.01 . 1 . 188 . . 18 ALA HB1 . 25210 1 199 . 1 1 18 18 ALA HB2 H 1 1.515 0.01 . 1 . 188 . . 18 ALA HB2 . 25210 1 200 . 1 1 18 18 ALA HB3 H 1 1.515 0.01 . 1 . 188 . . 18 ALA HB3 . 25210 1 201 . 1 1 18 18 ALA C C 13 181.240 0.10 . 1 . 186 . . 18 ALA C . 25210 1 202 . 1 1 18 18 ALA CA C 13 55.360 0.10 . 1 . 184 . . 18 ALA CA . 25210 1 203 . 1 1 18 18 ALA CB C 13 18.340 0.10 . 1 . 187 . . 18 ALA CB . 25210 1 204 . 1 1 18 18 ALA N N 15 123.440 0.10 . 1 . 182 . . 18 ALA N . 25210 1 205 . 1 1 19 19 VAL H H 1 8.822 0.01 . 1 . 190 . . 19 VAL H . 25210 1 206 . 1 1 19 19 VAL HA H 1 3.599 0.01 . 1 . 192 . . 19 VAL HA . 25210 1 207 . 1 1 19 19 VAL HB H 1 2.321 0.01 . 1 . 195 . . 19 VAL HB . 25210 1 208 . 1 1 19 19 VAL HG11 H 1 0.927 0.01 . 2 . 197 . . 19 VAL HG11 . 25210 1 209 . 1 1 19 19 VAL HG12 H 1 0.927 0.01 . 2 . 197 . . 19 VAL HG12 . 25210 1 210 . 1 1 19 19 VAL HG13 H 1 0.927 0.01 . 2 . 197 . . 19 VAL HG13 . 25210 1 211 . 1 1 19 19 VAL HG21 H 1 1.052 0.01 . 2 . 199 . . 19 VAL HG21 . 25210 1 212 . 1 1 19 19 VAL HG22 H 1 1.052 0.01 . 2 . 199 . . 19 VAL HG22 . 25210 1 213 . 1 1 19 19 VAL HG23 H 1 1.052 0.01 . 2 . 199 . . 19 VAL HG23 . 25210 1 214 . 1 1 19 19 VAL C C 13 177.860 0.10 . 1 . 193 . . 19 VAL C . 25210 1 215 . 1 1 19 19 VAL CA C 13 67.030 0.10 . 1 . 191 . . 19 VAL CA . 25210 1 216 . 1 1 19 19 VAL CB C 13 31.540 0.10 . 1 . 194 . . 19 VAL CB . 25210 1 217 . 1 1 19 19 VAL CG1 C 13 23.040 0.10 . 1 . 196 . . 19 VAL CG1 . 25210 1 218 . 1 1 19 19 VAL CG2 C 13 23.560 0.10 . 1 . 198 . . 19 VAL CG2 . 25210 1 219 . 1 1 19 19 VAL N N 15 121.510 0.10 . 1 . 189 . . 19 VAL N . 25210 1 220 . 1 1 20 20 GLU H H 1 8.745 0.01 . 1 . 201 . . 20 GLU H . 25210 1 221 . 1 1 20 20 GLU HA H 1 3.900 0.01 . 1 . 203 . . 20 GLU HA . 25210 1 222 . 1 1 20 20 GLU HB2 H 1 2.208 0.01 . 2 . 206 . . 20 GLU HB2 . 25210 1 223 . 1 1 20 20 GLU HB3 H 1 2.028 0.01 . 2 . 207 . . 20 GLU HB3 . 25210 1 224 . 1 1 20 20 GLU HG2 H 1 2.505 0.01 . 1 . 209 . . 20 GLU HG2 . 25210 1 225 . 1 1 20 20 GLU HG3 H 1 2.505 0.01 . 1 . 210 . . 20 GLU HG3 . 25210 1 226 . 1 1 20 20 GLU C C 13 179.820 0.10 . 1 . 204 . . 20 GLU C . 25210 1 227 . 1 1 20 20 GLU CA C 13 60.450 0.10 . 1 . 202 . . 20 GLU CA . 25210 1 228 . 1 1 20 20 GLU CB C 13 29.100 0.10 . 1 . 205 . . 20 GLU CB . 25210 1 229 . 1 1 20 20 GLU CG C 13 37.470 0.10 . 1 . 208 . . 20 GLU CG . 25210 1 230 . 1 1 20 20 GLU N N 15 119.100 0.10 . 1 . 200 . . 20 GLU N . 25210 1 231 . 1 1 21 21 ASN H H 1 8.212 0.01 . 1 . 212 . . 21 ASN H . 25210 1 232 . 1 1 21 21 ASN HA H 1 4.463 0.01 . 1 . 214 . . 21 ASN HA . 25210 1 233 . 1 1 21 21 ASN HB2 H 1 2.887 0.01 . 2 . 217 . . 21 ASN HB2 . 25210 1 234 . 1 1 21 21 ASN HB3 H 1 2.947 0.01 . 2 . 218 . . 21 ASN HB3 . 25210 1 235 . 1 1 21 21 ASN HD21 H 1 6.876 0.01 . 1 . 219 . . 21 ASN HD21 . 25210 1 236 . 1 1 21 21 ASN HD22 H 1 7.804 0.01 . 1 . 220 . . 21 ASN HD22 . 25210 1 237 . 1 1 21 21 ASN C C 13 177.910 0.10 . 1 . 215 . . 21 ASN C . 25210 1 238 . 1 1 21 21 ASN CA C 13 56.610 0.10 . 1 . 213 . . 21 ASN CA . 25210 1 239 . 1 1 21 21 ASN CB C 13 38.550 0.10 . 1 . 216 . . 21 ASN CB . 25210 1 240 . 1 1 21 21 ASN N N 15 117.650 0.10 . 1 . 211 . . 21 ASN N . 25210 1 241 . 1 1 22 22 TYR H H 1 8.182 0.01 . 1 . 222 . . 22 TYR H . 25210 1 242 . 1 1 22 22 TYR HA H 1 4.278 0.01 . 1 . 224 . . 22 TYR HA . 25210 1 243 . 1 1 22 22 TYR HB2 H 1 3.189 0.01 . 1 . 227 . . 22 TYR HB2 . 25210 1 244 . 1 1 22 22 TYR HB3 H 1 3.344 0.01 . 1 . 228 . . 22 TYR HB3 . 25210 1 245 . 1 1 22 22 TYR HD1 H 1 7.003 0.01 . 1 . 231 . . 22 TYR HD1 . 25210 1 246 . 1 1 22 22 TYR HD2 H 1 7.003 0.01 . 1 . 232 . . 22 TYR HD2 . 25210 1 247 . 1 1 22 22 TYR HE1 H 1 6.617 0.01 . 1 . 235 . . 22 TYR HE1 . 25210 1 248 . 1 1 22 22 TYR HE2 H 1 6.617 0.01 . 1 . 236 . . 22 TYR HE2 . 25210 1 249 . 1 1 22 22 TYR C C 13 178.700 0.10 . 1 . 225 . . 22 TYR C . 25210 1 250 . 1 1 22 22 TYR CA C 13 61.860 0.10 . 1 . 223 . . 22 TYR CA . 25210 1 251 . 1 1 22 22 TYR CB C 13 38.510 0.10 . 1 . 226 . . 22 TYR CB . 25210 1 252 . 1 1 22 22 TYR CD1 C 13 131.800 0.10 . 1 . 229 . . 22 TYR CD1 . 25210 1 253 . 1 1 22 22 TYR CD2 C 13 131.800 0.10 . 1 . 230 . . 22 TYR CD2 . 25210 1 254 . 1 1 22 22 TYR CE1 C 13 117.060 0.10 . 1 . 233 . . 22 TYR CE1 . 25210 1 255 . 1 1 22 22 TYR CE2 C 13 117.060 0.10 . 1 . 234 . . 22 TYR CE2 . 25210 1 256 . 1 1 22 22 TYR N N 15 122.930 0.10 . 1 . 221 . . 22 TYR N . 25210 1 257 . 1 1 23 23 LEU H H 1 8.831 0.01 . 1 . 238 . . 23 LEU H . 25210 1 258 . 1 1 23 23 LEU HA H 1 3.699 0.01 . 1 . 240 . . 23 LEU HA . 25210 1 259 . 1 1 23 23 LEU HB2 H 1 1.522 0.01 . 1 . 243 . . 23 LEU HB2 . 25210 1 260 . 1 1 23 23 LEU HB3 H 1 1.875 0.01 . 1 . 244 . . 23 LEU HB3 . 25210 1 261 . 1 1 23 23 LEU HG H 1 1.986 0.01 . 1 . 246 . . 23 LEU HG . 25210 1 262 . 1 1 23 23 LEU C C 13 180.390 0.10 . 1 . 241 . . 23 LEU C . 25210 1 263 . 1 1 23 23 LEU CA C 13 58.020 0.10 . 1 . 239 . . 23 LEU CA . 25210 1 264 . 1 1 23 23 LEU CB C 13 40.730 0.10 . 1 . 242 . . 23 LEU CB . 25210 1 265 . 1 1 23 23 LEU CG C 13 26.660 0.10 . 1 . 245 . . 23 LEU CG . 25210 1 266 . 1 1 23 23 LEU CD1 C 13 23.460 0.10 . 1 . 247 . . 23 LEU CD1 . 25210 1 267 . 1 1 23 23 LEU CD2 C 13 25.530 0.10 . 1 . 251 . . 23 LEU CD2 . 25210 1 268 . 1 1 23 23 LEU N N 15 119.860 0.10 . 1 . 237 . . 23 LEU N . 25210 1 269 . 1 1 24 24 GLU H H 1 8.100 0.01 . 1 . 253 . . 24 GLU H . 25210 1 270 . 1 1 24 24 GLU HA H 1 4.062 0.01 . 1 . 255 . . 24 GLU HA . 25210 1 271 . 1 1 24 24 GLU HB2 H 1 2.097 0.01 . 2 . 258 . . 24 GLU HB2 . 25210 1 272 . 1 1 24 24 GLU HB3 H 1 2.143 0.01 . 2 . 259 . . 24 GLU HB3 . 25210 1 273 . 1 1 24 24 GLU HG2 H 1 2.266 0.01 . 2 . 261 . . 24 GLU HG2 . 25210 1 274 . 1 1 24 24 GLU HG3 H 1 2.365 0.01 . 2 . 262 . . 24 GLU HG3 . 25210 1 275 . 1 1 24 24 GLU C C 13 179.010 0.10 . 1 . 256 . . 24 GLU C . 25210 1 276 . 1 1 24 24 GLU CA C 13 59.140 0.10 . 1 . 254 . . 24 GLU CA . 25210 1 277 . 1 1 24 24 GLU CB C 13 29.290 0.10 . 1 . 257 . . 24 GLU CB . 25210 1 278 . 1 1 24 24 GLU CG C 13 36.290 0.10 . 1 . 260 . . 24 GLU CG . 25210 1 279 . 1 1 24 24 GLU N N 15 119.490 0.10 . 1 . 252 . . 24 GLU N . 25210 1 280 . 1 1 25 25 SER H H 1 7.756 0.01 . 1 . 264 . . 25 SER H . 25210 1 281 . 1 1 25 25 SER HA H 1 4.252 0.01 . 1 . 266 . . 25 SER HA . 25210 1 282 . 1 1 25 25 SER HB2 H 1 3.971 0.01 . 1 . 269 . . 25 SER HB2 . 25210 1 283 . 1 1 25 25 SER HB3 H 1 3.971 0.01 . 1 . 270 . . 25 SER HB3 . 25210 1 284 . 1 1 25 25 SER C C 13 175.920 0.10 . 1 . 267 . . 25 SER C . 25210 1 285 . 1 1 25 25 SER CA C 13 60.890 0.10 . 1 . 265 . . 25 SER CA . 25210 1 286 . 1 1 25 25 SER CB C 13 63.110 0.10 . 1 . 268 . . 25 SER CB . 25210 1 287 . 1 1 25 25 SER N N 15 116.170 0.10 . 1 . 263 . . 25 SER N . 25210 1 288 . 1 1 26 26 LEU H H 1 7.368 0.01 . 1 . 272 . . 26 LEU H . 25210 1 289 . 1 1 26 26 LEU HA H 1 4.100 0.01 . 1 . 274 . . 26 LEU HA . 25210 1 290 . 1 1 26 26 LEU HB2 H 1 1.497 0.01 . 1 . 277 . . 26 LEU HB2 . 25210 1 291 . 1 1 26 26 LEU HB3 H 1 1.604 0.01 . 1 . 278 . . 26 LEU HB3 . 25210 1 292 . 1 1 26 26 LEU HG H 1 1.404 0.01 . 1 . 280 . . 26 LEU HG . 25210 1 293 . 1 1 26 26 LEU HD11 H 1 0.632 0.01 . 2 . 282 . . 26 LEU HD11 . 25210 1 294 . 1 1 26 26 LEU HD12 H 1 0.632 0.01 . 2 . 282 . . 26 LEU HD12 . 25210 1 295 . 1 1 26 26 LEU HD13 H 1 0.632 0.01 . 2 . 282 . . 26 LEU HD13 . 25210 1 296 . 1 1 26 26 LEU HD21 H 1 0.607 0.01 . 2 . 284 . . 26 LEU HD21 . 25210 1 297 . 1 1 26 26 LEU HD22 H 1 0.607 0.01 . 2 . 284 . . 26 LEU HD22 . 25210 1 298 . 1 1 26 26 LEU HD23 H 1 0.607 0.01 . 2 . 284 . . 26 LEU HD23 . 25210 1 299 . 1 1 26 26 LEU C C 13 178.510 0.10 . 1 . 275 . . 26 LEU C . 25210 1 300 . 1 1 26 26 LEU CA C 13 56.570 0.10 . 1 . 273 . . 26 LEU CA . 25210 1 301 . 1 1 26 26 LEU CB C 13 41.760 0.10 . 1 . 276 . . 26 LEU CB . 25210 1 302 . 1 1 26 26 LEU CG C 13 25.900 0.10 . 1 . 279 . . 26 LEU CG . 25210 1 303 . 1 1 26 26 LEU CD1 C 13 25.060 0.10 . 1 . 281 . . 26 LEU CD1 . 25210 1 304 . 1 1 26 26 LEU CD2 C 13 22.930 0.10 . 1 . 283 . . 26 LEU CD2 . 25210 1 305 . 1 1 26 26 LEU N N 15 122.280 0.10 . 1 . 271 . . 26 LEU N . 25210 1 306 . 1 1 27 27 THR H H 1 7.657 0.01 . 1 . 286 . . 27 THR H . 25210 1 307 . 1 1 27 27 THR HA H 1 4.116 0.01 . 1 . 288 . . 27 THR HA . 25210 1 308 . 1 1 27 27 THR HB H 1 4.281 0.01 . 1 . 291 . . 27 THR HB . 25210 1 309 . 1 1 27 27 THR HG21 H 1 1.241 0.01 . 1 . 293 . . 27 THR HG21 . 25210 1 310 . 1 1 27 27 THR HG22 H 1 1.241 0.01 . 1 . 293 . . 27 THR HG22 . 25210 1 311 . 1 1 27 27 THR HG23 H 1 1.241 0.01 . 1 . 293 . . 27 THR HG23 . 25210 1 312 . 1 1 27 27 THR C C 13 175.280 0.10 . 1 . 289 . . 27 THR C . 25210 1 313 . 1 1 27 27 THR CA C 13 63.540 0.10 . 1 . 287 . . 27 THR CA . 25210 1 314 . 1 1 27 27 THR CB C 13 69.500 0.10 . 1 . 290 . . 27 THR CB . 25210 1 315 . 1 1 27 27 THR CG2 C 13 21.760 0.10 . 1 . 292 . . 27 THR CG2 . 25210 1 316 . 1 1 27 27 THR N N 15 110.770 0.10 . 1 . 285 . . 27 THR N . 25210 1 317 . 1 1 28 28 GLN H H 1 7.723 0.01 . 1 . 295 . . 28 GLN H . 25210 1 318 . 1 1 28 28 GLN HA H 1 4.258 0.01 . 1 . 297 . . 28 GLN HA . 25210 1 319 . 1 1 28 28 GLN HB2 H 1 2.141 0.01 . 2 . 300 . . 28 GLN HB2 . 25210 1 320 . 1 1 28 28 GLN HB3 H 1 2.012 0.01 . 2 . 301 . . 28 GLN HB3 . 25210 1 321 . 1 1 28 28 GLN HG2 H 1 2.398 0.01 . 2 . 303 . . 28 GLN HG2 . 25210 1 322 . 1 1 28 28 GLN HG3 H 1 2.352 0.01 . 2 . 304 . . 28 GLN HG3 . 25210 1 323 . 1 1 28 28 GLN HE21 H 1 6.790 0.01 . 1 . 305 . . 28 GLN HE21 . 25210 1 324 . 1 1 28 28 GLN HE22 H 1 7.472 0.01 . 1 . 306 . . 28 GLN HE22 . 25210 1 325 . 1 1 28 28 GLN C C 13 176.380 0.10 . 1 . 298 . . 28 GLN C . 25210 1 326 . 1 1 28 28 GLN CA C 13 56.420 0.10 . 1 . 296 . . 28 GLN CA . 25210 1 327 . 1 1 28 28 GLN CB C 13 29.060 0.10 . 1 . 299 . . 28 GLN CB . 25210 1 328 . 1 1 28 28 GLN CG C 13 33.790 0.10 . 1 . 302 . . 28 GLN CG . 25210 1 329 . 1 1 28 28 GLN N N 15 120.190 0.10 . 1 . 294 . . 28 GLN N . 25210 1 330 . 1 1 29 29 VAL H H 1 7.719 0.01 . 1 . 308 . . 29 VAL H . 25210 1 331 . 1 1 29 29 VAL HA H 1 4.030 0.01 . 1 . 310 . . 29 VAL HA . 25210 1 332 . 1 1 29 29 VAL HB H 1 2.092 0.01 . 1 . 313 . . 29 VAL HB . 25210 1 333 . 1 1 29 29 VAL HG11 H 1 0.912 0.01 . 2 . 315 . . 29 VAL HG11 . 25210 1 334 . 1 1 29 29 VAL HG12 H 1 0.912 0.01 . 2 . 315 . . 29 VAL HG12 . 25210 1 335 . 1 1 29 29 VAL HG13 H 1 0.912 0.01 . 2 . 315 . . 29 VAL HG13 . 25210 1 336 . 1 1 29 29 VAL HG21 H 1 0.953 0.01 . 2 . 317 . . 29 VAL HG21 . 25210 1 337 . 1 1 29 29 VAL HG22 H 1 0.953 0.01 . 2 . 317 . . 29 VAL HG22 . 25210 1 338 . 1 1 29 29 VAL HG23 H 1 0.953 0.01 . 2 . 317 . . 29 VAL HG23 . 25210 1 339 . 1 1 29 29 VAL C C 13 176.280 0.10 . 1 . 311 . . 29 VAL C . 25210 1 340 . 1 1 29 29 VAL CA C 13 62.910 0.10 . 1 . 309 . . 29 VAL CA . 25210 1 341 . 1 1 29 29 VAL CB C 13 32.590 0.10 . 1 . 312 . . 29 VAL CB . 25210 1 342 . 1 1 29 29 VAL CG1 C 13 21.180 0.10 . 1 . 314 . . 29 VAL CG1 . 25210 1 343 . 1 1 29 29 VAL CG2 C 13 20.830 0.10 . 1 . 316 . . 29 VAL CG2 . 25210 1 344 . 1 1 29 29 VAL N N 15 119.240 0.10 . 1 . 307 . . 29 VAL N . 25210 1 345 . 1 1 30 30 LEU H H 1 8.132 0.01 . 1 . 319 . . 30 LEU H . 25210 1 346 . 1 1 30 30 LEU HA H 1 4.315 0.01 . 1 . 321 . . 30 LEU HA . 25210 1 347 . 1 1 30 30 LEU HB2 H 1 1.629 0.01 . 2 . 324 . . 30 LEU HB2 . 25210 1 348 . 1 1 30 30 LEU HB3 H 1 1.533 0.01 . 2 . 325 . . 30 LEU HB3 . 25210 1 349 . 1 1 30 30 LEU HG H 1 1.626 0.01 . 1 . 327 . . 30 LEU HG . 25210 1 350 . 1 1 30 30 LEU HD11 H 1 0.877 0.01 . 2 . 329 . . 30 LEU HD11 . 25210 1 351 . 1 1 30 30 LEU HD12 H 1 0.877 0.01 . 2 . 329 . . 30 LEU HD12 . 25210 1 352 . 1 1 30 30 LEU HD13 H 1 0.877 0.01 . 2 . 329 . . 30 LEU HD13 . 25210 1 353 . 1 1 30 30 LEU HD21 H 1 0.830 0.01 . 2 . 331 . . 30 LEU HD21 . 25210 1 354 . 1 1 30 30 LEU HD22 H 1 0.830 0.01 . 2 . 331 . . 30 LEU HD22 . 25210 1 355 . 1 1 30 30 LEU HD23 H 1 0.830 0.01 . 2 . 331 . . 30 LEU HD23 . 25210 1 356 . 1 1 30 30 LEU C C 13 177.150 0.10 . 1 . 322 . . 30 LEU C . 25210 1 357 . 1 1 30 30 LEU CA C 13 55.280 0.10 . 1 . 320 . . 30 LEU CA . 25210 1 358 . 1 1 30 30 LEU CB C 13 42.350 0.10 . 1 . 323 . . 30 LEU CB . 25210 1 359 . 1 1 30 30 LEU CG C 13 26.990 0.10 . 1 . 326 . . 30 LEU CG . 25210 1 360 . 1 1 30 30 LEU CD1 C 13 24.940 0.10 . 1 . 328 . . 30 LEU CD1 . 25210 1 361 . 1 1 30 30 LEU CD2 C 13 23.380 0.10 . 1 . 330 . . 30 LEU CD2 . 25210 1 362 . 1 1 30 30 LEU N N 15 124.390 0.10 . 1 . 318 . . 30 LEU N . 25210 1 363 . 1 1 31 31 GLN H H 1 8.184 0.01 . 1 . 333 . . 31 GLN H . 25210 1 364 . 1 1 31 31 GLN HA H 1 4.333 0.01 . 1 . 335 . . 31 GLN HA . 25210 1 365 . 1 1 31 31 GLN HB2 H 1 2.055 0.01 . 2 . 338 . . 31 GLN HB2 . 25210 1 366 . 1 1 31 31 GLN HB3 H 1 1.938 0.01 . 2 . 339 . . 31 GLN HB3 . 25210 1 367 . 1 1 31 31 GLN HG2 H 1 2.342 0.01 . 2 . 341 . . 31 GLN HG2 . 25210 1 368 . 1 1 31 31 GLN HG3 H 1 2.316 0.01 . 2 . 342 . . 31 GLN HG3 . 25210 1 369 . 1 1 31 31 GLN HE21 H 1 6.825 0.01 . 1 . 343 . . 31 GLN HE21 . 25210 1 370 . 1 1 31 31 GLN HE22 H 1 7.469 0.01 . 1 . 344 . . 31 GLN HE22 . 25210 1 371 . 1 1 31 31 GLN C C 13 175.630 0.10 . 1 . 336 . . 31 GLN C . 25210 1 372 . 1 1 31 31 GLN CA C 13 55.720 0.10 . 1 . 334 . . 31 GLN CA . 25210 1 373 . 1 1 31 31 GLN CB C 13 29.490 0.10 . 1 . 337 . . 31 GLN CB . 25210 1 374 . 1 1 31 31 GLN CG C 13 33.810 0.10 . 1 . 340 . . 31 GLN CG . 25210 1 375 . 1 1 31 31 GLN N N 15 120.810 0.10 . 1 . 332 . . 31 GLN N . 25210 1 376 . 1 1 32 32 VAL H H 1 8.039 0.01 . 1 . 346 . . 32 VAL H . 25210 1 377 . 1 1 32 32 VAL HA H 1 4.404 0.01 . 1 . 348 . . 32 VAL HA . 25210 1 378 . 1 1 32 32 VAL HB H 1 2.069 0.01 . 1 . 351 . . 32 VAL HB . 25210 1 379 . 1 1 32 32 VAL HG11 H 1 0.944 0.01 . 2 . 353 . . 32 VAL HG11 . 25210 1 380 . 1 1 32 32 VAL HG12 H 1 0.944 0.01 . 2 . 353 . . 32 VAL HG12 . 25210 1 381 . 1 1 32 32 VAL HG13 H 1 0.944 0.01 . 2 . 353 . . 32 VAL HG13 . 25210 1 382 . 1 1 32 32 VAL HG21 H 1 0.899 0.01 . 2 . 355 . . 32 VAL HG21 . 25210 1 383 . 1 1 32 32 VAL HG22 H 1 0.899 0.01 . 2 . 355 . . 32 VAL HG22 . 25210 1 384 . 1 1 32 32 VAL HG23 H 1 0.899 0.01 . 2 . 355 . . 32 VAL HG23 . 25210 1 385 . 1 1 32 32 VAL C C 13 174.350 0.10 . 1 . 349 . . 32 VAL C . 25210 1 386 . 1 1 32 32 VAL CA C 13 59.790 0.10 . 1 . 347 . . 32 VAL CA . 25210 1 387 . 1 1 32 32 VAL CB C 13 32.630 0.10 . 1 . 350 . . 32 VAL CB . 25210 1 388 . 1 1 32 32 VAL CG1 C 13 21.130 0.10 . 1 . 352 . . 32 VAL CG1 . 25210 1 389 . 1 1 32 32 VAL CG2 C 13 20.140 0.10 . 1 . 354 . . 32 VAL CG2 . 25210 1 390 . 1 1 32 32 VAL N N 15 121.860 0.10 . 1 . 345 . . 32 VAL N . 25210 1 391 . 1 1 33 33 PRO HA H 1 4.391 0.01 . 1 . 357 . . 33 PRO HA . 25210 1 392 . 1 1 33 33 PRO HB2 H 1 2.219 0.01 . 2 . 360 . . 33 PRO HB2 . 25210 1 393 . 1 1 33 33 PRO HB3 H 1 1.896 0.01 . 2 . 361 . . 33 PRO HB3 . 25210 1 394 . 1 1 33 33 PRO HG2 H 1 1.943 0.01 . 2 . 363 . . 33 PRO HG2 . 25210 1 395 . 1 1 33 33 PRO HG3 H 1 2.027 0.01 . 2 . 364 . . 33 PRO HG3 . 25210 1 396 . 1 1 33 33 PRO HD2 H 1 3.827 0.01 . 2 . 366 . . 33 PRO HD2 . 25210 1 397 . 1 1 33 33 PRO HD3 H 1 3.659 0.01 . 2 . 367 . . 33 PRO HD3 . 25210 1 398 . 1 1 33 33 PRO C C 13 177.200 0.10 . 1 . 358 . . 33 PRO C . 25210 1 399 . 1 1 33 33 PRO CA C 13 63.400 0.10 . 1 . 356 . . 33 PRO CA . 25210 1 400 . 1 1 33 33 PRO CB C 13 32.220 0.10 . 1 . 359 . . 33 PRO CB . 25210 1 401 . 1 1 33 33 PRO CG C 13 27.380 0.10 . 1 . 362 . . 33 PRO CG . 25210 1 402 . 1 1 33 33 PRO CD C 13 51.050 0.10 . 1 . 365 . . 33 PRO CD . 25210 1 403 . 1 1 34 34 GLY H H 1 8.175 0.01 . 1 . 369 . . 34 GLY H . 25210 1 404 . 1 1 34 34 GLY HA2 H 1 4.054 0.01 . 2 . 371 . . 34 GLY HA2 . 25210 1 405 . 1 1 34 34 GLY HA3 H 1 4.180 0.01 . 2 . 372 . . 34 GLY HA3 . 25210 1 406 . 1 1 34 34 GLY C C 13 172.760 0.10 . 1 . 373 . . 34 GLY C . 25210 1 407 . 1 1 34 34 GLY CA C 13 44.680 0.10 . 1 . 370 . . 34 GLY CA . 25210 1 408 . 1 1 34 34 GLY N N 15 108.920 0.10 . 1 . 368 . . 34 GLY N . 25210 1 409 . 1 1 35 35 PRO HA H 1 4.422 0.01 . 1 . 375 . . 35 PRO HA . 25210 1 410 . 1 1 35 35 PRO HB2 H 1 2.296 0.01 . 2 . 378 . . 35 PRO HB2 . 25210 1 411 . 1 1 35 35 PRO HB3 H 1 1.947 0.01 . 2 . 379 . . 35 PRO HB3 . 25210 1 412 . 1 1 35 35 PRO HG2 H 1 2.002 0.01 . 1 . 381 . . 35 PRO HG2 . 25210 1 413 . 1 1 35 35 PRO HG3 H 1 2.002 0.01 . 1 . 382 . . 35 PRO HG3 . 25210 1 414 . 1 1 35 35 PRO HD2 H 1 3.592 0.01 . 2 . 384 . . 35 PRO HD2 . 25210 1 415 . 1 1 35 35 PRO HD3 H 1 3.658 0.01 . 2 . 385 . . 35 PRO HD3 . 25210 1 416 . 1 1 35 35 PRO C C 13 177.850 0.10 . 1 . 376 . . 35 PRO C . 25210 1 417 . 1 1 35 35 PRO CA C 13 63.990 0.10 . 1 . 374 . . 35 PRO CA . 25210 1 418 . 1 1 35 35 PRO CB C 13 32.160 0.10 . 1 . 377 . . 35 PRO CB . 25210 1 419 . 1 1 35 35 PRO CG C 13 27.220 0.10 . 1 . 380 . . 35 PRO CG . 25210 1 420 . 1 1 35 35 PRO CD C 13 49.900 0.10 . 1 . 383 . . 35 PRO CD . 25210 1 421 . 1 1 36 36 THR H H 1 8.157 0.01 . 1 . 387 . . 36 THR H . 25210 1 422 . 1 1 36 36 THR HA H 1 4.338 0.01 . 1 . 389 . . 36 THR HA . 25210 1 423 . 1 1 36 36 THR HB H 1 4.301 0.01 . 1 . 392 . . 36 THR HB . 25210 1 424 . 1 1 36 36 THR HG21 H 1 1.183 0.01 . 1 . 394 . . 36 THR HG21 . 25210 1 425 . 1 1 36 36 THR HG22 H 1 1.183 0.01 . 1 . 394 . . 36 THR HG22 . 25210 1 426 . 1 1 36 36 THR HG23 H 1 1.183 0.01 . 1 . 394 . . 36 THR HG23 . 25210 1 427 . 1 1 36 36 THR C C 13 175.380 0.10 . 1 . 390 . . 36 THR C . 25210 1 428 . 1 1 36 36 THR CA C 13 62.140 0.10 . 1 . 388 . . 36 THR CA . 25210 1 429 . 1 1 36 36 THR CB C 13 69.660 0.10 . 1 . 391 . . 36 THR CB . 25210 1 430 . 1 1 36 36 THR CG2 C 13 21.590 0.10 . 1 . 393 . . 36 THR CG2 . 25210 1 431 . 1 1 36 36 THR N N 15 111.310 0.10 . 1 . 386 . . 36 THR N . 25210 1 432 . 1 1 37 37 GLY H H 1 8.245 0.01 . 1 . 396 . . 37 GLY H . 25210 1 433 . 1 1 37 37 GLY HA2 H 1 3.827 0.01 . 2 . 398 . . 37 GLY HA2 . 25210 1 434 . 1 1 37 37 GLY HA3 H 1 4.081 0.01 . 2 . 399 . . 37 GLY HA3 . 25210 1 435 . 1 1 37 37 GLY C C 13 173.910 0.10 . 1 . 400 . . 37 GLY C . 25210 1 436 . 1 1 37 37 GLY CA C 13 45.440 0.10 . 1 . 397 . . 37 GLY CA . 25210 1 437 . 1 1 37 37 GLY N N 15 110.780 0.10 . 1 . 395 . . 37 GLY N . 25210 1 438 . 1 1 38 38 ALA H H 1 8.012 0.01 . 1 . 402 . . 38 ALA H . 25210 1 439 . 1 1 38 38 ALA HA H 1 4.371 0.01 . 1 . 404 . . 38 ALA HA . 25210 1 440 . 1 1 38 38 ALA HB1 H 1 1.346 0.01 . 1 . 407 . . 38 ALA HB1 . 25210 1 441 . 1 1 38 38 ALA HB2 H 1 1.346 0.01 . 1 . 407 . . 38 ALA HB2 . 25210 1 442 . 1 1 38 38 ALA HB3 H 1 1.346 0.01 . 1 . 407 . . 38 ALA HB3 . 25210 1 443 . 1 1 38 38 ALA C C 13 177.740 0.10 . 1 . 405 . . 38 ALA C . 25210 1 444 . 1 1 38 38 ALA CA C 13 52.490 0.10 . 1 . 403 . . 38 ALA CA . 25210 1 445 . 1 1 38 38 ALA CB C 13 19.590 0.10 . 1 . 406 . . 38 ALA CB . 25210 1 446 . 1 1 38 38 ALA N N 15 123.370 0.10 . 1 . 401 . . 38 ALA N . 25210 1 447 . 1 1 39 39 SER H H 1 8.294 0.01 . 1 . 409 . . 39 SER H . 25210 1 448 . 1 1 39 39 SER HA H 1 4.421 0.01 . 1 . 411 . . 39 SER HA . 25210 1 449 . 1 1 39 39 SER HB2 H 1 3.812 0.01 . 1 . 414 . . 39 SER HB2 . 25210 1 450 . 1 1 39 39 SER HB3 H 1 3.812 0.01 . 1 . 415 . . 39 SER HB3 . 25210 1 451 . 1 1 39 39 SER C C 13 173.950 0.10 . 1 . 412 . . 39 SER C . 25210 1 452 . 1 1 39 39 SER CA C 13 58.270 0.10 . 1 . 410 . . 39 SER CA . 25210 1 453 . 1 1 39 39 SER CB C 13 64.120 0.10 . 1 . 413 . . 39 SER CB . 25210 1 454 . 1 1 39 39 SER N N 15 114.830 0.10 . 1 . 408 . . 39 SER N . 25210 1 455 . 1 1 40 40 ALA H H 1 8.245 0.01 . 1 . 417 . . 40 ALA H . 25210 1 456 . 1 1 40 40 ALA HA H 1 4.333 0.01 . 1 . 419 . . 40 ALA HA . 25210 1 457 . 1 1 40 40 ALA HB1 H 1 1.331 0.01 . 1 . 422 . . 40 ALA HB1 . 25210 1 458 . 1 1 40 40 ALA HB2 H 1 1.331 0.01 . 1 . 422 . . 40 ALA HB2 . 25210 1 459 . 1 1 40 40 ALA HB3 H 1 1.331 0.01 . 1 . 422 . . 40 ALA HB3 . 25210 1 460 . 1 1 40 40 ALA C C 13 176.770 0.10 . 1 . 420 . . 40 ALA C . 25210 1 461 . 1 1 40 40 ALA CA C 13 52.010 0.10 . 1 . 418 . . 40 ALA CA . 25210 1 462 . 1 1 40 40 ALA CB C 13 19.750 0.10 . 1 . 421 . . 40 ALA CB . 25210 1 463 . 1 1 40 40 ALA N N 15 125.660 0.10 . 1 . 416 . . 40 ALA N . 25210 1 464 . 1 1 41 41 ALA H H 1 8.246 0.01 . 1 . 424 . . 41 ALA H . 25210 1 465 . 1 1 41 41 ALA HA H 1 4.538 0.01 . 1 . 426 . . 41 ALA HA . 25210 1 466 . 1 1 41 41 ALA HB1 H 1 1.316 0.01 . 1 . 429 . . 41 ALA HB1 . 25210 1 467 . 1 1 41 41 ALA HB2 H 1 1.316 0.01 . 1 . 429 . . 41 ALA HB2 . 25210 1 468 . 1 1 41 41 ALA HB3 H 1 1.316 0.01 . 1 . 429 . . 41 ALA HB3 . 25210 1 469 . 1 1 41 41 ALA C C 13 175.450 0.10 . 1 . 427 . . 41 ALA C . 25210 1 470 . 1 1 41 41 ALA CA C 13 50.410 0.10 . 1 . 425 . . 41 ALA CA . 25210 1 471 . 1 1 41 41 ALA CB C 13 18.300 0.10 . 1 . 428 . . 41 ALA CB . 25210 1 472 . 1 1 41 41 ALA N N 15 124.690 0.10 . 1 . 423 . . 41 ALA N . 25210 1 473 . 1 1 42 42 PRO HA H 1 4.439 0.01 . 1 . 431 . . 42 PRO HA . 25210 1 474 . 1 1 42 42 PRO HB2 H 1 1.849 0.01 . 2 . 433 . . 42 PRO HB2 . 25210 1 475 . 1 1 42 42 PRO HB3 H 1 2.219 0.01 . 2 . 434 . . 42 PRO HB3 . 25210 1 476 . 1 1 42 42 PRO HG2 H 1 1.966 0.01 . 1 . 436 . . 42 PRO HG2 . 25210 1 477 . 1 1 42 42 PRO HG3 H 1 1.966 0.01 . 1 . 437 . . 42 PRO HG3 . 25210 1 478 . 1 1 42 42 PRO HD2 H 1 3.599 0.01 . 2 . 439 . . 42 PRO HD2 . 25210 1 479 . 1 1 42 42 PRO HD3 H 1 3.735 0.01 . 2 . 440 . . 42 PRO HD3 . 25210 1 480 . 1 1 42 42 PRO C C 13 176.660 0.10 . 1 . 432 . . 42 PRO C . 25210 1 481 . 1 1 42 42 PRO CA C 13 62.860 0.10 . 1 . 430 . . 42 PRO CA . 25210 1 482 . 1 1 42 42 PRO CG C 13 27.350 0.10 . 1 . 435 . . 42 PRO CG . 25210 1 483 . 1 1 42 42 PRO CD C 13 50.550 0.10 . 1 . 438 . . 42 PRO CD . 25210 1 484 . 1 1 43 43 ILE H H 1 8.090 0.01 . 1 . 442 . . 43 ILE H . 25210 1 485 . 1 1 43 43 ILE HA H 1 4.133 0.01 . 1 . 444 . . 43 ILE HA . 25210 1 486 . 1 1 43 43 ILE HB H 1 1.770 0.01 . 1 . 447 . . 43 ILE HB . 25210 1 487 . 1 1 43 43 ILE HG12 H 1 1.425 0.01 . 2 . 449 . . 43 ILE HG12 . 25210 1 488 . 1 1 43 43 ILE HG13 H 1 1.110 0.01 . 2 . 450 . . 43 ILE HG13 . 25210 1 489 . 1 1 43 43 ILE HG21 H 1 0.817 0.01 . 1 . 452 . . 43 ILE HG21 . 25210 1 490 . 1 1 43 43 ILE HG22 H 1 0.817 0.01 . 1 . 452 . . 43 ILE HG22 . 25210 1 491 . 1 1 43 43 ILE HG23 H 1 0.817 0.01 . 1 . 452 . . 43 ILE HG23 . 25210 1 492 . 1 1 43 43 ILE HD11 H 1 0.816 0.01 . 1 . 454 . . 43 ILE HD11 . 25210 1 493 . 1 1 43 43 ILE HD12 H 1 0.816 0.01 . 1 . 454 . . 43 ILE HD12 . 25210 1 494 . 1 1 43 43 ILE HD13 H 1 0.816 0.01 . 1 . 454 . . 43 ILE HD13 . 25210 1 495 . 1 1 43 43 ILE C C 13 175.320 0.10 . 1 . 445 . . 43 ILE C . 25210 1 496 . 1 1 43 43 ILE CA C 13 60.900 0.10 . 1 . 443 . . 43 ILE CA . 25210 1 497 . 1 1 43 43 ILE CB C 13 39.170 0.10 . 1 . 446 . . 43 ILE CB . 25210 1 498 . 1 1 43 43 ILE CG1 C 13 27.290 0.10 . 1 . 448 . . 43 ILE CG1 . 25210 1 499 . 1 1 43 43 ILE CG2 C 13 17.530 0.10 . 1 . 451 . . 43 ILE CG2 . 25210 1 500 . 1 1 43 43 ILE CD1 C 13 12.730 0.10 . 1 . 453 . . 43 ILE CD1 . 25210 1 501 . 1 1 43 43 ILE N N 15 120.330 0.10 . 1 . 441 . . 43 ILE N . 25210 1 502 . 1 1 44 44 SER H H 1 8.160 0.01 . 1 . 456 . . 44 SER H . 25210 1 503 . 1 1 44 44 SER HA H 1 4.458 0.01 . 1 . 458 . . 44 SER HA . 25210 1 504 . 1 1 44 44 SER HB2 H 1 3.687 0.01 . 2 . 461 . . 44 SER HB2 . 25210 1 505 . 1 1 44 44 SER HB3 H 1 3.728 0.01 . 2 . 462 . . 44 SER HB3 . 25210 1 506 . 1 1 44 44 SER C C 13 174.070 0.10 . 1 . 459 . . 44 SER C . 25210 1 507 . 1 1 44 44 SER CA C 13 57.320 0.10 . 1 . 457 . . 44 SER CA . 25210 1 508 . 1 1 44 44 SER CB C 13 63.960 0.10 . 1 . 460 . . 44 SER CB . 25210 1 509 . 1 1 44 44 SER N N 15 118.700 0.10 . 1 . 455 . . 44 SER N . 25210 1 510 . 1 1 45 45 LEU H H 1 8.115 0.01 . 1 . 464 . . 45 LEU H . 25210 1 511 . 1 1 45 45 LEU HA H 1 4.566 0.01 . 1 . 466 . . 45 LEU HA . 25210 1 512 . 1 1 45 45 LEU HB2 H 1 1.454 0.01 . 1 . 469 . . 45 LEU HB2 . 25210 1 513 . 1 1 45 45 LEU HB3 H 1 1.454 0.01 . 1 . 470 . . 45 LEU HB3 . 25210 1 514 . 1 1 45 45 LEU HG H 1 1.414 0.01 . 1 . 472 . . 45 LEU HG . 25210 1 515 . 1 1 45 45 LEU HD11 H 1 0.541 0.01 . 2 . 474 . . 45 LEU HD11 . 25210 1 516 . 1 1 45 45 LEU HD12 H 1 0.541 0.01 . 2 . 474 . . 45 LEU HD12 . 25210 1 517 . 1 1 45 45 LEU HD13 H 1 0.541 0.01 . 2 . 474 . . 45 LEU HD13 . 25210 1 518 . 1 1 45 45 LEU HD21 H 1 0.736 0.01 . 2 . 476 . . 45 LEU HD21 . 25210 1 519 . 1 1 45 45 LEU HD22 H 1 0.736 0.01 . 2 . 476 . . 45 LEU HD22 . 25210 1 520 . 1 1 45 45 LEU HD23 H 1 0.736 0.01 . 2 . 476 . . 45 LEU HD23 . 25210 1 521 . 1 1 45 45 LEU C C 13 174.400 0.10 . 1 . 467 . . 45 LEU C . 25210 1 522 . 1 1 45 45 LEU CA C 13 54.370 0.10 . 1 . 465 . . 45 LEU CA . 25210 1 523 . 1 1 45 45 LEU CB C 13 43.620 0.10 . 1 . 468 . . 45 LEU CB . 25210 1 524 . 1 1 45 45 LEU CG C 13 27.470 0.10 . 1 . 471 . . 45 LEU CG . 25210 1 525 . 1 1 45 45 LEU CD1 C 13 25.320 0.10 . 1 . 473 . . 45 LEU CD1 . 25210 1 526 . 1 1 45 45 LEU CD2 C 13 24.560 0.10 . 1 . 475 . . 45 LEU CD2 . 25210 1 527 . 1 1 45 45 LEU N N 15 126.070 0.10 . 1 . 463 . . 45 LEU N . 25210 1 528 . 1 1 46 46 ALA H H 1 7.919 0.01 . 1 . 478 . . 46 ALA H . 25210 1 529 . 1 1 46 46 ALA HA H 1 4.377 0.01 . 1 . 480 . . 46 ALA HA . 25210 1 530 . 1 1 46 46 ALA HB1 H 1 1.282 0.01 . 1 . 483 . . 46 ALA HB1 . 25210 1 531 . 1 1 46 46 ALA HB2 H 1 1.282 0.01 . 1 . 483 . . 46 ALA HB2 . 25210 1 532 . 1 1 46 46 ALA HB3 H 1 1.282 0.01 . 1 . 483 . . 46 ALA HB3 . 25210 1 533 . 1 1 46 46 ALA C C 13 176.130 0.10 . 1 . 481 . . 46 ALA C . 25210 1 534 . 1 1 46 46 ALA CA C 13 51.360 0.10 . 1 . 479 . . 46 ALA CA . 25210 1 535 . 1 1 46 46 ALA CB C 13 21.260 0.10 . 1 . 482 . . 46 ALA CB . 25210 1 536 . 1 1 46 46 ALA N N 15 122.020 0.10 . 1 . 477 . . 46 ALA N . 25210 1 537 . 1 1 47 47 LEU H H 1 8.494 0.01 . 1 . 485 . . 47 LEU H . 25210 1 538 . 1 1 47 47 LEU HA H 1 4.305 0.01 . 1 . 487 . . 47 LEU HA . 25210 1 539 . 1 1 47 47 LEU HB2 H 1 1.318 0.01 . 2 . 490 . . 47 LEU HB2 . 25210 1 540 . 1 1 47 47 LEU HB3 H 1 1.689 0.01 . 2 . 491 . . 47 LEU HB3 . 25210 1 541 . 1 1 47 47 LEU HG H 1 1.639 0.01 . 1 . 493 . . 47 LEU HG . 25210 1 542 . 1 1 47 47 LEU C C 13 177.260 0.10 . 1 . 488 . . 47 LEU C . 25210 1 543 . 1 1 47 47 LEU CA C 13 54.070 0.10 . 1 . 486 . . 47 LEU CA . 25210 1 544 . 1 1 47 47 LEU CB C 13 41.660 0.10 . 1 . 489 . . 47 LEU CB . 25210 1 545 . 1 1 47 47 LEU CG C 13 26.900 0.10 . 1 . 492 . . 47 LEU CG . 25210 1 546 . 1 1 47 47 LEU CD1 C 13 25.000 0.10 . 1 . 494 . . 47 LEU CD1 . 25210 1 547 . 1 1 47 47 LEU CD2 C 13 22.810 0.10 . 1 . 498 . . 47 LEU CD2 . 25210 1 548 . 1 1 47 47 LEU N N 15 117.340 0.10 . 1 . 484 . . 47 LEU N . 25210 1 549 . 1 1 48 48 ASN H H 1 9.033 0.01 . 1 . 500 . . 48 ASN H . 25210 1 550 . 1 1 48 48 ASN HA H 1 4.828 0.01 . 1 . 502 . . 48 ASN HA . 25210 1 551 . 1 1 48 48 ASN HB2 H 1 3.096 0.01 . 1 . 505 . . 48 ASN HB2 . 25210 1 552 . 1 1 48 48 ASN HB3 H 1 2.860 0.01 . 1 . 506 . . 48 ASN HB3 . 25210 1 553 . 1 1 48 48 ASN HD21 H 1 5.984 0.01 . 1 . 507 . . 48 ASN HD21 . 25210 1 554 . 1 1 48 48 ASN HD22 H 1 7.813 0.01 . 1 . 508 . . 48 ASN HD22 . 25210 1 555 . 1 1 48 48 ASN C C 13 177.360 0.10 . 1 . 503 . . 48 ASN C . 25210 1 556 . 1 1 48 48 ASN CA C 13 51.840 0.10 . 1 . 501 . . 48 ASN CA . 25210 1 557 . 1 1 48 48 ASN CB C 13 40.100 0.10 . 1 . 504 . . 48 ASN CB . 25210 1 558 . 1 1 48 48 ASN N N 15 118.890 0.10 . 1 . 499 . . 48 ASN N . 25210 1 559 . 1 1 49 49 ALA H H 1 8.562 0.01 . 1 . 510 . . 49 ALA H . 25210 1 560 . 1 1 49 49 ALA HA H 1 4.099 0.01 . 1 . 512 . . 49 ALA HA . 25210 1 561 . 1 1 49 49 ALA HB1 H 1 1.434 0.01 . 1 . 515 . . 49 ALA HB1 . 25210 1 562 . 1 1 49 49 ALA HB2 H 1 1.434 0.01 . 1 . 515 . . 49 ALA HB2 . 25210 1 563 . 1 1 49 49 ALA HB3 H 1 1.434 0.01 . 1 . 515 . . 49 ALA HB3 . 25210 1 564 . 1 1 49 49 ALA C C 13 179.830 0.10 . 1 . 513 . . 49 ALA C . 25210 1 565 . 1 1 49 49 ALA CA C 13 55.260 0.10 . 1 . 511 . . 49 ALA CA . 25210 1 566 . 1 1 49 49 ALA CB C 13 18.500 0.10 . 1 . 514 . . 49 ALA CB . 25210 1 567 . 1 1 49 49 ALA N N 15 121.910 0.10 . 1 . 509 . . 49 ALA N . 25210 1 568 . 1 1 50 50 GLU H H 1 8.436 0.01 . 1 . 517 . . 50 GLU H . 25210 1 569 . 1 1 50 50 GLU HA H 1 4.353 0.01 . 1 . 519 . . 50 GLU HA . 25210 1 570 . 1 1 50 50 GLU HB2 H 1 2.202 0.01 . 2 . 522 . . 50 GLU HB2 . 25210 1 571 . 1 1 50 50 GLU HB3 H 1 2.049 0.01 . 2 . 523 . . 50 GLU HB3 . 25210 1 572 . 1 1 50 50 GLU HG2 H 1 2.285 0.01 . 1 . 525 . . 50 GLU HG2 . 25210 1 573 . 1 1 50 50 GLU HG3 H 1 2.285 0.01 . 1 . 526 . . 50 GLU HG3 . 25210 1 574 . 1 1 50 50 GLU C C 13 179.610 0.10 . 1 . 520 . . 50 GLU C . 25210 1 575 . 1 1 50 50 GLU CA C 13 57.030 0.10 . 1 . 518 . . 50 GLU CA . 25210 1 576 . 1 1 50 50 GLU CB C 13 29.290 0.10 . 1 . 521 . . 50 GLU CB . 25210 1 577 . 1 1 50 50 GLU CG C 13 36.500 0.10 . 1 . 524 . . 50 GLU CG . 25210 1 578 . 1 1 50 50 GLU N N 15 115.970 0.10 . 1 . 516 . . 50 GLU N . 25210 1 579 . 1 1 51 51 SER H H 1 8.000 0.01 . 1 . 528 . . 51 SER H . 25210 1 580 . 1 1 51 51 SER HA H 1 4.656 0.01 . 1 . 530 . . 51 SER HA . 25210 1 581 . 1 1 51 51 SER HB2 H 1 4.214 0.01 . 2 . 533 . . 51 SER HB2 . 25210 1 582 . 1 1 51 51 SER HB3 H 1 3.848 0.01 . 2 . 534 . . 51 SER HB3 . 25210 1 583 . 1 1 51 51 SER C C 13 182.410 0.10 . 1 . 531 . . 51 SER C . 25210 1 584 . 1 1 51 51 SER CA C 13 60.670 0.10 . 1 . 529 . . 51 SER CA . 25210 1 585 . 1 1 51 51 SER CB C 13 63.820 0.10 . 1 . 532 . . 51 SER CB . 25210 1 586 . 1 1 51 51 SER N N 15 118.020 0.10 . 1 . 527 . . 51 SER N . 25210 1 587 . 1 1 52 52 ASN H H 1 7.182 0.01 . 1 . 536 . . 52 ASN H . 25210 1 588 . 1 1 52 52 ASN HA H 1 4.712 0.01 . 1 . 538 . . 52 ASN HA . 25210 1 589 . 1 1 52 52 ASN HB2 H 1 2.894 0.01 . 1 . 541 . . 52 ASN HB2 . 25210 1 590 . 1 1 52 52 ASN HB3 H 1 2.773 0.01 . 1 . 542 . . 52 ASN HB3 . 25210 1 591 . 1 1 52 52 ASN HD21 H 1 7.001 0.01 . 1 . 543 . . 52 ASN HD21 . 25210 1 592 . 1 1 52 52 ASN HD22 H 1 7.518 0.01 . 1 . 544 . . 52 ASN HD22 . 25210 1 593 . 1 1 52 52 ASN C C 13 174.660 0.10 . 1 . 539 . . 52 ASN C . 25210 1 594 . 1 1 52 52 ASN CA C 13 54.050 0.10 . 1 . 537 . . 52 ASN CA . 25210 1 595 . 1 1 52 52 ASN CB C 13 39.050 0.10 . 1 . 540 . . 52 ASN CB . 25210 1 596 . 1 1 52 52 ASN N N 15 109.920 0.10 . 1 . 535 . . 52 ASN N . 25210 1 597 . 1 1 53 53 ASN H H 1 7.358 0.01 . 1 . 546 . . 53 ASN H . 25210 1 598 . 1 1 53 53 ASN HA H 1 5.138 0.01 . 1 . 548 . . 53 ASN HA . 25210 1 599 . 1 1 53 53 ASN HB2 H 1 2.568 0.01 . 1 . 551 . . 53 ASN HB2 . 25210 1 600 . 1 1 53 53 ASN HB3 H 1 2.883 0.01 . 1 . 552 . . 53 ASN HB3 . 25210 1 601 . 1 1 53 53 ASN HD21 H 1 6.986 0.01 . 1 . 553 . . 53 ASN HD21 . 25210 1 602 . 1 1 53 53 ASN HD22 H 1 7.706 0.01 . 1 . 554 . . 53 ASN HD22 . 25210 1 603 . 1 1 53 53 ASN C C 13 172.850 0.10 . 1 . 549 . . 53 ASN C . 25210 1 604 . 1 1 53 53 ASN CA C 13 52.600 0.10 . 1 . 547 . . 53 ASN CA . 25210 1 605 . 1 1 53 53 ASN CB C 13 39.710 0.10 . 1 . 550 . . 53 ASN CB . 25210 1 606 . 1 1 53 53 ASN N N 15 117.240 0.10 . 1 . 545 . . 53 ASN N . 25210 1 607 . 1 1 54 54 VAL H H 1 9.335 0.01 . 1 . 556 . . 54 VAL H . 25210 1 608 . 1 1 54 54 VAL HA H 1 4.318 0.01 . 1 . 558 . . 54 VAL HA . 25210 1 609 . 1 1 54 54 VAL HB H 1 1.854 0.01 . 1 . 561 . . 54 VAL HB . 25210 1 610 . 1 1 54 54 VAL HG11 H 1 0.711 0.01 . 2 . 563 . . 54 VAL HG11 . 25210 1 611 . 1 1 54 54 VAL HG12 H 1 0.711 0.01 . 2 . 563 . . 54 VAL HG12 . 25210 1 612 . 1 1 54 54 VAL HG13 H 1 0.711 0.01 . 2 . 563 . . 54 VAL HG13 . 25210 1 613 . 1 1 54 54 VAL HG21 H 1 0.743 0.01 . 2 . 565 . . 54 VAL HG21 . 25210 1 614 . 1 1 54 54 VAL HG22 H 1 0.743 0.01 . 2 . 565 . . 54 VAL HG22 . 25210 1 615 . 1 1 54 54 VAL HG23 H 1 0.743 0.01 . 2 . 565 . . 54 VAL HG23 . 25210 1 616 . 1 1 54 54 VAL C C 13 175.770 0.10 . 1 . 559 . . 54 VAL C . 25210 1 617 . 1 1 54 54 VAL CA C 13 61.750 0.10 . 1 . 557 . . 54 VAL CA . 25210 1 618 . 1 1 54 54 VAL CB C 13 32.810 0.10 . 1 . 560 . . 54 VAL CB . 25210 1 619 . 1 1 54 54 VAL CG1 C 13 22.250 0.10 . 1 . 562 . . 54 VAL CG1 . 25210 1 620 . 1 1 54 54 VAL CG2 C 13 21.970 0.10 . 1 . 564 . . 54 VAL CG2 . 25210 1 621 . 1 1 54 54 VAL N N 15 126.140 0.10 . 1 . 555 . . 54 VAL N . 25210 1 622 . 1 1 55 55 MET H H 1 9.238 0.01 . 1 . 567 . . 55 MET H . 25210 1 623 . 1 1 55 55 MET HA H 1 4.780 0.01 . 1 . 569 . . 55 MET HA . 25210 1 624 . 1 1 55 55 MET HB2 H 1 1.638 0.01 . 1 . 572 . . 55 MET HB2 . 25210 1 625 . 1 1 55 55 MET HB3 H 1 1.865 0.01 . 1 . 573 . . 55 MET HB3 . 25210 1 626 . 1 1 55 55 MET HG2 H 1 2.405 0.01 . 2 . 575 . . 55 MET HG2 . 25210 1 627 . 1 1 55 55 MET HG3 H 1 2.484 0.01 . 2 . 576 . . 55 MET HG3 . 25210 1 628 . 1 1 55 55 MET HE1 H 1 1.866 0.01 . 1 . 578 . . 55 MET HE1 . 25210 1 629 . 1 1 55 55 MET HE2 H 1 1.866 0.01 . 1 . 578 . . 55 MET HE2 . 25210 1 630 . 1 1 55 55 MET HE3 H 1 1.866 0.01 . 1 . 578 . . 55 MET HE3 . 25210 1 631 . 1 1 55 55 MET C C 13 174.870 0.10 . 1 . 570 . . 55 MET C . 25210 1 632 . 1 1 55 55 MET CA C 13 54.650 0.10 . 1 . 568 . . 55 MET CA . 25210 1 633 . 1 1 55 55 MET CB C 13 34.980 0.10 . 1 . 571 . . 55 MET CB . 25210 1 634 . 1 1 55 55 MET CG C 13 32.200 0.10 . 1 . 574 . . 55 MET CG . 25210 1 635 . 1 1 55 55 MET CE C 13 16.800 0.10 . 1 . 577 . . 55 MET CE . 25210 1 636 . 1 1 55 55 MET N N 15 125.550 0.10 . 1 . 566 . . 55 MET N . 25210 1 637 . 1 1 56 56 MET H H 1 8.831 0.01 . 1 . 580 . . 56 MET H . 25210 1 638 . 1 1 56 56 MET HA H 1 5.053 0.01 . 1 . 582 . . 56 MET HA . 25210 1 639 . 1 1 56 56 MET HB2 H 1 2.065 0.01 . 1 . 585 . . 56 MET HB2 . 25210 1 640 . 1 1 56 56 MET HB3 H 1 1.966 0.01 . 1 . 586 . . 56 MET HB3 . 25210 1 641 . 1 1 56 56 MET HG2 H 1 2.560 0.01 . 2 . 588 . . 56 MET HG2 . 25210 1 642 . 1 1 56 56 MET HG3 H 1 2.244 0.01 . 2 . 589 . . 56 MET HG3 . 25210 1 643 . 1 1 56 56 MET HE1 H 1 1.861 0.01 . 1 . 591 . . 56 MET HE1 . 25210 1 644 . 1 1 56 56 MET HE2 H 1 1.861 0.01 . 1 . 591 . . 56 MET HE2 . 25210 1 645 . 1 1 56 56 MET HE3 H 1 1.861 0.01 . 1 . 591 . . 56 MET HE3 . 25210 1 646 . 1 1 56 56 MET C C 13 174.770 0.10 . 1 . 583 . . 56 MET C . 25210 1 647 . 1 1 56 56 MET CA C 13 54.980 0.10 . 1 . 581 . . 56 MET CA . 25210 1 648 . 1 1 56 56 MET CB C 13 34.570 0.10 . 1 . 584 . . 56 MET CB . 25210 1 649 . 1 1 56 56 MET CG C 13 31.260 0.10 . 1 . 587 . . 56 MET CG . 25210 1 650 . 1 1 56 56 MET CE C 13 16.760 0.10 . 1 . 590 . . 56 MET CE . 25210 1 651 . 1 1 56 56 MET N N 15 122.110 0.10 . 1 . 579 . . 56 MET N . 25210 1 652 . 1 1 57 57 LEU H H 1 8.816 0.01 . 1 . 593 . . 57 LEU H . 25210 1 653 . 1 1 57 57 LEU HA H 1 4.835 0.01 . 1 . 595 . . 57 LEU HA . 25210 1 654 . 1 1 57 57 LEU HB2 H 1 1.625 0.01 . 2 . 598 . . 57 LEU HB2 . 25210 1 655 . 1 1 57 57 LEU HB3 H 1 1.548 0.01 . 2 . 599 . . 57 LEU HB3 . 25210 1 656 . 1 1 57 57 LEU HG H 1 1.298 0.01 . 1 . 601 . . 57 LEU HG . 25210 1 657 . 1 1 57 57 LEU HD11 H 1 0.409 0.01 . 2 . 603 . . 57 LEU HD11 . 25210 1 658 . 1 1 57 57 LEU HD12 H 1 0.409 0.01 . 2 . 603 . . 57 LEU HD12 . 25210 1 659 . 1 1 57 57 LEU HD13 H 1 0.409 0.01 . 2 . 603 . . 57 LEU HD13 . 25210 1 660 . 1 1 57 57 LEU HD21 H 1 0.534 0.01 . 2 . 605 . . 57 LEU HD21 . 25210 1 661 . 1 1 57 57 LEU HD22 H 1 0.534 0.01 . 2 . 605 . . 57 LEU HD22 . 25210 1 662 . 1 1 57 57 LEU HD23 H 1 0.534 0.01 . 2 . 605 . . 57 LEU HD23 . 25210 1 663 . 1 1 57 57 LEU C C 13 174.950 0.10 . 1 . 596 . . 57 LEU C . 25210 1 664 . 1 1 57 57 LEU CA C 13 55.170 0.10 . 1 . 594 . . 57 LEU CA . 25210 1 665 . 1 1 57 57 LEU CB C 13 45.640 0.10 . 1 . 597 . . 57 LEU CB . 25210 1 666 . 1 1 57 57 LEU CG C 13 26.860 0.10 . 1 . 600 . . 57 LEU CG . 25210 1 667 . 1 1 57 57 LEU CD1 C 13 26.760 0.10 . 1 . 602 . . 57 LEU CD1 . 25210 1 668 . 1 1 57 57 LEU CD2 C 13 25.660 0.10 . 1 . 604 . . 57 LEU CD2 . 25210 1 669 . 1 1 57 57 LEU N N 15 122.860 0.10 . 1 . 592 . . 57 LEU N . 25210 1 670 . 1 1 58 58 THR H H 1 8.420 0.01 . 1 . 607 . . 58 THR H . 25210 1 671 . 1 1 58 58 THR HA H 1 5.611 0.01 . 1 . 609 . . 58 THR HA . 25210 1 672 . 1 1 58 58 THR HB H 1 3.974 0.01 . 1 . 612 . . 58 THR HB . 25210 1 673 . 1 1 58 58 THR HG21 H 1 1.061 0.01 . 1 . 614 . . 58 THR HG21 . 25210 1 674 . 1 1 58 58 THR HG22 H 1 1.061 0.01 . 1 . 614 . . 58 THR HG22 . 25210 1 675 . 1 1 58 58 THR HG23 H 1 1.061 0.01 . 1 . 614 . . 58 THR HG23 . 25210 1 676 . 1 1 58 58 THR C C 13 175.020 0.10 . 1 . 610 . . 58 THR C . 25210 1 677 . 1 1 58 58 THR CA C 13 60.600 0.10 . 1 . 608 . . 58 THR CA . 25210 1 678 . 1 1 58 58 THR CB C 13 70.120 0.10 . 1 . 611 . . 58 THR CB . 25210 1 679 . 1 1 58 58 THR CG2 C 13 21.300 0.10 . 1 . 613 . . 58 THR CG2 . 25210 1 680 . 1 1 58 58 THR N N 15 116.700 0.10 . 1 . 606 . . 58 THR N . 25210 1 681 . 1 1 59 59 HIS H H 1 9.301 0.01 . 1 . 616 . . 59 HIS H . 25210 1 682 . 1 1 59 59 HIS HA H 1 4.617 0.01 . 1 . 618 . . 59 HIS HA . 25210 1 683 . 1 1 59 59 HIS HB2 H 1 2.812 0.01 . 1 . 621 . . 59 HIS HB2 . 25210 1 684 . 1 1 59 59 HIS HB3 H 1 2.761 0.01 . 1 . 622 . . 59 HIS HB3 . 25210 1 685 . 1 1 59 59 HIS HD2 H 1 7.518 0.01 . 1 . 624 . . 59 HIS HD2 . 25210 1 686 . 1 1 59 59 HIS HE1 H 1 8.500 0.01 . 1 . 626 . . 59 HIS HE1 . 25210 1 687 . 1 1 59 59 HIS HE2 H 1 7.193 0.01 . 1 . 627 . . 59 HIS HE2 . 25210 1 688 . 1 1 59 59 HIS C C 13 174.950 0.10 . 1 . 619 . . 59 HIS C . 25210 1 689 . 1 1 59 59 HIS CA C 13 57.130 0.10 . 1 . 617 . . 59 HIS CA . 25210 1 690 . 1 1 59 59 HIS CB C 13 35.230 0.10 . 1 . 620 . . 59 HIS CB . 25210 1 691 . 1 1 59 59 HIS CD2 C 13 122.320 0.10 . 1 . 623 . . 59 HIS CD2 . 25210 1 692 . 1 1 59 59 HIS CE1 C 13 137.130 0.10 . 1 . 625 . . 59 HIS CE1 . 25210 1 693 . 1 1 59 59 HIS N N 15 125.370 0.10 . 1 . 615 . . 59 HIS N . 25210 1 694 . 1 1 60 60 ALA H H 1 8.689 0.01 . 1 . 629 . . 60 ALA H . 25210 1 695 . 1 1 60 60 ALA HA H 1 4.447 0.01 . 1 . 631 . . 60 ALA HA . 25210 1 696 . 1 1 60 60 ALA HB1 H 1 1.480 0.01 . 1 . 634 . . 60 ALA HB1 . 25210 1 697 . 1 1 60 60 ALA HB2 H 1 1.480 0.01 . 1 . 634 . . 60 ALA HB2 . 25210 1 698 . 1 1 60 60 ALA HB3 H 1 1.480 0.01 . 1 . 634 . . 60 ALA HB3 . 25210 1 699 . 1 1 60 60 ALA C C 13 178.390 0.10 . 1 . 632 . . 60 ALA C . 25210 1 700 . 1 1 60 60 ALA CA C 13 53.110 0.10 . 1 . 630 . . 60 ALA CA . 25210 1 701 . 1 1 60 60 ALA CB C 13 19.710 0.10 . 1 . 633 . . 60 ALA CB . 25210 1 702 . 1 1 60 60 ALA N N 15 127.060 0.10 . 1 . 628 . . 60 ALA N . 25210 1 703 . 1 1 61 61 ILE H H 1 9.122 0.01 . 1 . 636 . . 61 ILE H . 25210 1 704 . 1 1 61 61 ILE HA H 1 4.781 0.01 . 1 . 638 . . 61 ILE HA . 25210 1 705 . 1 1 61 61 ILE HB H 1 1.626 0.01 . 1 . 641 . . 61 ILE HB . 25210 1 706 . 1 1 61 61 ILE HG12 H 1 1.546 0.01 . 1 . 643 . . 61 ILE HG12 . 25210 1 707 . 1 1 61 61 ILE HG13 H 1 1.546 0.01 . 1 . 644 . . 61 ILE HG13 . 25210 1 708 . 1 1 61 61 ILE HG21 H 1 0.931 0.01 . 1 . 646 . . 61 ILE HG21 . 25210 1 709 . 1 1 61 61 ILE HG22 H 1 0.931 0.01 . 1 . 646 . . 61 ILE HG22 . 25210 1 710 . 1 1 61 61 ILE HG23 H 1 0.931 0.01 . 1 . 646 . . 61 ILE HG23 . 25210 1 711 . 1 1 61 61 ILE HD11 H 1 0.673 0.01 . 1 . 648 . . 61 ILE HD11 . 25210 1 712 . 1 1 61 61 ILE HD12 H 1 0.673 0.01 . 1 . 648 . . 61 ILE HD12 . 25210 1 713 . 1 1 61 61 ILE HD13 H 1 0.673 0.01 . 1 . 648 . . 61 ILE HD13 . 25210 1 714 . 1 1 61 61 ILE C C 13 175.190 0.10 . 1 . 639 . . 61 ILE C . 25210 1 715 . 1 1 61 61 ILE CA C 13 61.160 0.10 . 1 . 637 . . 61 ILE CA . 25210 1 716 . 1 1 61 61 ILE CB C 13 40.590 0.10 . 1 . 640 . . 61 ILE CB . 25210 1 717 . 1 1 61 61 ILE CG1 C 13 27.990 0.10 . 1 . 642 . . 61 ILE CG1 . 25210 1 718 . 1 1 61 61 ILE CG2 C 13 17.690 0.10 . 1 . 645 . . 61 ILE CG2 . 25210 1 719 . 1 1 61 61 ILE CD1 C 13 13.680 0.10 . 1 . 647 . . 61 ILE CD1 . 25210 1 720 . 1 1 61 61 ILE N N 15 123.530 0.10 . 1 . 635 . . 61 ILE N . 25210 1 721 . 1 1 62 62 THR H H 1 9.339 0.01 . 1 . 650 . . 62 THR H . 25210 1 722 . 1 1 62 62 THR HA H 1 4.497 0.01 . 1 . 652 . . 62 THR HA . 25210 1 723 . 1 1 62 62 THR HB H 1 4.108 0.01 . 1 . 655 . . 62 THR HB . 25210 1 724 . 1 1 62 62 THR HG1 H 1 5.418 0.01 . 1 . 657 . . 62 THR HG1 . 25210 1 725 . 1 1 62 62 THR HG21 H 1 1.082 0.01 . 1 . 658 . . 62 THR HG21 . 25210 1 726 . 1 1 62 62 THR HG22 H 1 1.082 0.01 . 1 . 658 . . 62 THR HG22 . 25210 1 727 . 1 1 62 62 THR HG23 H 1 1.082 0.01 . 1 . 658 . . 62 THR HG23 . 25210 1 728 . 1 1 62 62 THR C C 13 172.960 0.10 . 1 . 653 . . 62 THR C . 25210 1 729 . 1 1 62 62 THR CA C 13 61.450 0.10 . 1 . 651 . . 62 THR CA . 25210 1 730 . 1 1 62 62 THR CB C 13 70.770 0.10 . 1 . 654 . . 62 THR CB . 25210 1 731 . 1 1 62 62 THR CG2 C 13 21.970 0.10 . 1 . 656 . . 62 THR CG2 . 25210 1 732 . 1 1 62 62 THR N N 15 123.620 0.10 . 1 . 649 . . 62 THR N . 25210 1 733 . 1 1 63 63 ARG H H 1 8.475 0.01 . 1 . 660 . . 63 ARG H . 25210 1 734 . 1 1 63 63 ARG HA H 1 5.141 0.01 . 1 . 662 . . 63 ARG HA . 25210 1 735 . 1 1 63 63 ARG HB2 H 1 1.409 0.01 . 2 . 665 . . 63 ARG HB2 . 25210 1 736 . 1 1 63 63 ARG HB3 H 1 1.308 0.01 . 2 . 666 . . 63 ARG HB3 . 25210 1 737 . 1 1 63 63 ARG HG2 H 1 1.161 0.01 . 1 . 668 . . 63 ARG HG2 . 25210 1 738 . 1 1 63 63 ARG HG3 H 1 1.161 0.01 . 1 . 669 . . 63 ARG HG3 . 25210 1 739 . 1 1 63 63 ARG HD2 H 1 2.092 0.01 . 2 . 671 . . 63 ARG HD2 . 25210 1 740 . 1 1 63 63 ARG HD3 H 1 2.281 0.01 . 2 . 672 . . 63 ARG HD3 . 25210 1 741 . 1 1 63 63 ARG HE H 1 6.628 0.01 . 1 . 673 . . 63 ARG HE . 25210 1 742 . 1 1 63 63 ARG HH11 H 1 6.157 0.10 . 1 . 674 . . 63 ARG HH11 . 25210 1 743 . 1 1 63 63 ARG HH12 H 1 6.157 0.10 . 1 . 675 . . 63 ARG HH12 . 25210 1 744 . 1 1 63 63 ARG HH21 H 1 6.157 0.10 . 1 . 676 . . 63 ARG HH21 . 25210 1 745 . 1 1 63 63 ARG HH22 H 1 6.157 0.10 . 1 . 677 . . 63 ARG HH22 . 25210 1 746 . 1 1 63 63 ARG C C 13 175.090 0.10 . 1 . 663 . . 63 ARG C . 25210 1 747 . 1 1 63 63 ARG CA C 13 54.480 0.10 . 1 . 661 . . 63 ARG CA . 25210 1 748 . 1 1 63 63 ARG CB C 13 32.900 0.10 . 1 . 664 . . 63 ARG CB . 25210 1 749 . 1 1 63 63 ARG CG C 13 26.440 0.10 . 1 . 667 . . 63 ARG CG . 25210 1 750 . 1 1 63 63 ARG CD C 13 43.380 0.10 . 1 . 670 . . 63 ARG CD . 25210 1 751 . 1 1 63 63 ARG N N 15 123.730 0.10 . 1 . 659 . . 63 ARG N . 25210 1 752 . 1 1 64 64 TYR H H 1 9.044 0.01 . 1 . 679 . . 64 TYR H . 25210 1 753 . 1 1 64 64 TYR HA H 1 4.768 0.01 . 1 . 681 . . 64 TYR HA . 25210 1 754 . 1 1 64 64 TYR HB2 H 1 2.937 0.01 . 1 . 684 . . 64 TYR HB2 . 25210 1 755 . 1 1 64 64 TYR HB3 H 1 2.740 0.01 . 1 . 685 . . 64 TYR HB3 . 25210 1 756 . 1 1 64 64 TYR HD1 H 1 6.946 0.01 . 1 . 688 . . 64 TYR HD1 . 25210 1 757 . 1 1 64 64 TYR HD2 H 1 6.946 0.01 . 1 . 689 . . 64 TYR HD2 . 25210 1 758 . 1 1 64 64 TYR HE1 H 1 6.330 0.01 . 1 . 690 . . 64 TYR HE1 . 25210 1 759 . 1 1 64 64 TYR HE2 H 1 6.330 0.01 . 1 . 691 . . 64 TYR HE2 . 25210 1 760 . 1 1 64 64 TYR C C 13 175.120 0.10 . 1 . 682 . . 64 TYR C . 25210 1 761 . 1 1 64 64 TYR CA C 13 57.300 0.10 . 1 . 680 . . 64 TYR CA . 25210 1 762 . 1 1 64 64 TYR CB C 13 41.730 0.10 . 1 . 683 . . 64 TYR CB . 25210 1 763 . 1 1 64 64 TYR CD1 C 13 132.360 0.10 . 1 . 686 . . 64 TYR CD1 . 25210 1 764 . 1 1 64 64 TYR CD2 C 13 132.360 0.10 . 1 . 687 . . 64 TYR CD2 . 25210 1 765 . 1 1 64 64 TYR N N 15 123.820 0.10 . 1 . 678 . . 64 TYR N . 25210 1 766 . 1 1 65 65 GLY H H 1 8.444 0.01 . 1 . 693 . . 65 GLY H . 25210 1 767 . 1 1 65 65 GLY HA2 H 1 3.544 0.01 . 2 . 695 . . 65 GLY HA2 . 25210 1 768 . 1 1 65 65 GLY HA3 H 1 3.935 0.01 . 2 . 696 . . 65 GLY HA3 . 25210 1 769 . 1 1 65 65 GLY C C 13 173.230 0.10 . 1 . 697 . . 65 GLY C . 25210 1 770 . 1 1 65 65 GLY CA C 13 45.190 0.10 . 1 . 694 . . 65 GLY CA . 25210 1 771 . 1 1 65 65 GLY N N 15 112.900 0.10 . 1 . 692 . . 65 GLY N . 25210 1 772 . 1 1 66 66 ILE H H 1 7.981 0.01 . 1 . 699 . . 66 ILE H . 25210 1 773 . 1 1 66 66 ILE HA H 1 4.129 0.01 . 1 . 701 . . 66 ILE HA . 25210 1 774 . 1 1 66 66 ILE HB H 1 1.746 0.01 . 1 . 704 . . 66 ILE HB . 25210 1 775 . 1 1 66 66 ILE HG12 H 1 1.281 0.01 . 2 . 706 . . 66 ILE HG12 . 25210 1 776 . 1 1 66 66 ILE HG13 H 1 0.978 0.01 . 2 . 707 . . 66 ILE HG13 . 25210 1 777 . 1 1 66 66 ILE HG21 H 1 0.803 0.01 . 1 . 709 . . 66 ILE HG21 . 25210 1 778 . 1 1 66 66 ILE HG22 H 1 0.803 0.01 . 1 . 709 . . 66 ILE HG22 . 25210 1 779 . 1 1 66 66 ILE HG23 H 1 0.803 0.01 . 1 . 709 . . 66 ILE HG23 . 25210 1 780 . 1 1 66 66 ILE HD11 H 1 0.718 0.01 . 1 . 711 . . 66 ILE HD11 . 25210 1 781 . 1 1 66 66 ILE HD12 H 1 0.718 0.01 . 1 . 711 . . 66 ILE HD12 . 25210 1 782 . 1 1 66 66 ILE HD13 H 1 0.718 0.01 . 1 . 711 . . 66 ILE HD13 . 25210 1 783 . 1 1 66 66 ILE C C 13 176.930 0.10 . 1 . 702 . . 66 ILE C . 25210 1 784 . 1 1 66 66 ILE CA C 13 61.350 0.10 . 1 . 700 . . 66 ILE CA . 25210 1 785 . 1 1 66 66 ILE CB C 13 39.040 0.10 . 1 . 703 . . 66 ILE CB . 25210 1 786 . 1 1 66 66 ILE CG1 C 13 27.330 0.10 . 1 . 705 . . 66 ILE CG1 . 25210 1 787 . 1 1 66 66 ILE CG2 C 13 17.760 0.10 . 1 . 708 . . 66 ILE CG2 . 25210 1 788 . 1 1 66 66 ILE CD1 C 13 13.250 0.10 . 1 . 710 . . 66 ILE CD1 . 25210 1 789 . 1 1 66 66 ILE N N 15 119.670 0.10 . 1 . 698 . . 66 ILE N . 25210 1 790 . 1 1 67 67 SER H H 1 8.396 0.01 . 1 . 713 . . 67 SER H . 25210 1 791 . 1 1 67 67 SER HA H 1 4.419 0.01 . 1 . 715 . . 67 SER HA . 25210 1 792 . 1 1 67 67 SER HB2 H 1 3.842 0.01 . 2 . 718 . . 67 SER HB2 . 25210 1 793 . 1 1 67 67 SER HB3 H 1 3.906 0.01 . 2 . 719 . . 67 SER HB3 . 25210 1 794 . 1 1 67 67 SER C C 13 174.930 0.10 . 1 . 716 . . 67 SER C . 25210 1 795 . 1 1 67 67 SER CA C 13 58.940 0.10 . 1 . 714 . . 67 SER CA . 25210 1 796 . 1 1 67 67 SER CB C 13 63.680 0.10 . 1 . 717 . . 67 SER CB . 25210 1 797 . 1 1 67 67 SER N N 15 117.860 0.10 . 1 . 712 . . 67 SER N . 25210 1 798 . 1 1 68 68 THR H H 1 7.917 0.01 . 1 . 721 . . 68 THR H . 25210 1 799 . 1 1 68 68 THR HA H 1 4.228 0.01 . 1 . 723 . . 68 THR HA . 25210 1 800 . 1 1 68 68 THR HB H 1 4.301 0.01 . 1 . 726 . . 68 THR HB . 25210 1 801 . 1 1 68 68 THR HG21 H 1 1.159 0.01 . 1 . 728 . . 68 THR HG21 . 25210 1 802 . 1 1 68 68 THR HG22 H 1 1.159 0.01 . 1 . 728 . . 68 THR HG22 . 25210 1 803 . 1 1 68 68 THR HG23 H 1 1.159 0.01 . 1 . 728 . . 68 THR HG23 . 25210 1 804 . 1 1 68 68 THR C C 13 174.580 0.10 . 1 . 724 . . 68 THR C . 25210 1 805 . 1 1 68 68 THR CA C 13 62.380 0.10 . 1 . 722 . . 68 THR CA . 25210 1 806 . 1 1 68 68 THR CB C 13 68.930 0.10 . 1 . 725 . . 68 THR CB . 25210 1 807 . 1 1 68 68 THR CG2 C 13 21.650 0.10 . 1 . 727 . . 68 THR CG2 . 25210 1 808 . 1 1 68 68 THR N N 15 113.970 0.10 . 1 . 720 . . 68 THR N . 25210 1 809 . 1 1 69 69 ASP H H 1 8.021 0.01 . 1 . 730 . . 69 ASP H . 25210 1 810 . 1 1 69 69 ASP HA H 1 4.616 0.01 . 1 . 732 . . 69 ASP HA . 25210 1 811 . 1 1 69 69 ASP HB2 H 1 2.599 0.01 . 2 . 735 . . 69 ASP HB2 . 25210 1 812 . 1 1 69 69 ASP HB3 H 1 2.672 0.01 . 2 . 736 . . 69 ASP HB3 . 25210 1 813 . 1 1 69 69 ASP C C 13 175.460 0.10 . 1 . 733 . . 69 ASP C . 25210 1 814 . 1 1 69 69 ASP CA C 13 54.450 0.10 . 1 . 731 . . 69 ASP CA . 25210 1 815 . 1 1 69 69 ASP CB C 13 41.430 0.10 . 1 . 734 . . 69 ASP CB . 25210 1 816 . 1 1 69 69 ASP N N 15 120.950 0.10 . 1 . 729 . . 69 ASP N . 25210 1 817 . 1 1 70 70 ASP H H 1 7.667 0.01 . 1 . 738 . . 70 ASP H . 25210 1 818 . 1 1 70 70 ASP HA H 1 4.720 0.01 . 1 . 740 . . 70 ASP HA . 25210 1 819 . 1 1 70 70 ASP HB2 H 1 2.410 0.01 . 2 . 743 . . 70 ASP HB2 . 25210 1 820 . 1 1 70 70 ASP HB3 H 1 2.632 0.01 . 2 . 744 . . 70 ASP HB3 . 25210 1 821 . 1 1 70 70 ASP C C 13 174.290 0.10 . 1 . 741 . . 70 ASP C . 25210 1 822 . 1 1 70 70 ASP CA C 13 51.880 0.10 . 1 . 739 . . 70 ASP CA . 25210 1 823 . 1 1 70 70 ASP CB C 13 41.940 0.10 . 1 . 742 . . 70 ASP CB . 25210 1 824 . 1 1 70 70 ASP N N 15 120.260 0.10 . 1 . 737 . . 70 ASP N . 25210 1 825 . 1 1 71 71 PRO HA H 1 3.605 0.01 . 1 . 746 . . 71 PRO HA . 25210 1 826 . 1 1 71 71 PRO HB2 H 1 1.922 0.01 . 2 . 749 . . 71 PRO HB2 . 25210 1 827 . 1 1 71 71 PRO HB3 H 1 1.769 0.01 . 2 . 750 . . 71 PRO HB3 . 25210 1 828 . 1 1 71 71 PRO HG2 H 1 1.785 0.01 . 2 . 752 . . 71 PRO HG2 . 25210 1 829 . 1 1 71 71 PRO HG3 H 1 1.725 0.01 . 2 . 753 . . 71 PRO HG3 . 25210 1 830 . 1 1 71 71 PRO HD2 H 1 3.604 0.01 . 2 . 755 . . 71 PRO HD2 . 25210 1 831 . 1 1 71 71 PRO HD3 H 1 3.648 0.01 . 2 . 756 . . 71 PRO HD3 . 25210 1 832 . 1 1 71 71 PRO C C 13 177.330 0.10 . 1 . 747 . . 71 PRO C . 25210 1 833 . 1 1 71 71 PRO CA C 13 63.730 0.10 . 1 . 745 . . 71 PRO CA . 25210 1 834 . 1 1 71 71 PRO CB C 13 32.000 0.10 . 1 . 748 . . 71 PRO CB . 25210 1 835 . 1 1 71 71 PRO CG C 13 26.960 0.10 . 1 . 751 . . 71 PRO CG . 25210 1 836 . 1 1 71 71 PRO CD C 13 50.790 0.10 . 1 . 754 . . 71 PRO CD . 25210 1 837 . 1 1 72 72 ASN H H 1 8.341 0.01 . 1 . 758 . . 72 ASN H . 25210 1 838 . 1 1 72 72 ASN HA H 1 4.531 0.01 . 1 . 760 . . 72 ASN HA . 25210 1 839 . 1 1 72 72 ASN HB2 H 1 2.698 0.01 . 2 . 763 . . 72 ASN HB2 . 25210 1 840 . 1 1 72 72 ASN HB3 H 1 2.776 0.01 . 2 . 764 . . 72 ASN HB3 . 25210 1 841 . 1 1 72 72 ASN HD21 H 1 6.874 0.01 . 1 . 765 . . 72 ASN HD21 . 25210 1 842 . 1 1 72 72 ASN HD22 H 1 7.769 0.01 . 1 . 766 . . 72 ASN HD22 . 25210 1 843 . 1 1 72 72 ASN C C 13 174.910 0.10 . 1 . 761 . . 72 ASN C . 25210 1 844 . 1 1 72 72 ASN CA C 13 53.620 0.10 . 1 . 759 . . 72 ASN CA . 25210 1 845 . 1 1 72 72 ASN CB C 13 38.400 0.10 . 1 . 762 . . 72 ASN CB . 25210 1 846 . 1 1 72 72 ASN N N 15 115.640 0.10 . 1 . 757 . . 72 ASN N . 25210 1 847 . 1 1 73 73 LYS H H 1 7.461 0.01 . 1 . 768 . . 73 LYS H . 25210 1 848 . 1 1 73 73 LYS HA H 1 4.303 0.01 . 1 . 770 . . 73 LYS HA . 25210 1 849 . 1 1 73 73 LYS HB2 H 1 1.599 0.01 . 2 . 773 . . 73 LYS HB2 . 25210 1 850 . 1 1 73 73 LYS HB3 H 1 1.749 0.01 . 2 . 774 . . 73 LYS HB3 . 25210 1 851 . 1 1 73 73 LYS HG2 H 1 1.251 0.01 . 2 . 776 . . 73 LYS HG2 . 25210 1 852 . 1 1 73 73 LYS HG3 H 1 1.204 0.01 . 2 . 777 . . 73 LYS HG3 . 25210 1 853 . 1 1 73 73 LYS HD2 H 1 1.598 0.01 . 1 . 779 . . 73 LYS HD2 . 25210 1 854 . 1 1 73 73 LYS HD3 H 1 1.598 0.01 . 1 . 780 . . 73 LYS HD3 . 25210 1 855 . 1 1 73 73 LYS HE2 H 1 2.915 0.01 . 1 . 782 . . 73 LYS HE2 . 25210 1 856 . 1 1 73 73 LYS HE3 H 1 2.915 0.01 . 1 . 783 . . 73 LYS HE3 . 25210 1 857 . 1 1 73 73 LYS C C 13 175.760 0.10 . 1 . 771 . . 73 LYS C . 25210 1 858 . 1 1 73 73 LYS CA C 13 55.640 0.10 . 1 . 769 . . 73 LYS CA . 25210 1 859 . 1 1 73 73 LYS CB C 13 33.220 0.10 . 1 . 772 . . 73 LYS CB . 25210 1 860 . 1 1 73 73 LYS CG C 13 24.810 0.10 . 1 . 775 . . 73 LYS CG . 25210 1 861 . 1 1 73 73 LYS CD C 13 28.910 0.10 . 1 . 778 . . 73 LYS CD . 25210 1 862 . 1 1 73 73 LYS CE C 13 42.250 0.10 . 1 . 781 . . 73 LYS CE . 25210 1 863 . 1 1 73 73 LYS N N 15 119.040 0.10 . 1 . 767 . . 73 LYS N . 25210 1 864 . 1 1 74 74 TRP H H 1 7.775 0.01 . 1 . 785 . . 74 TRP H . 25210 1 865 . 1 1 74 74 TRP HA H 1 5.001 0.01 . 1 . 787 . . 74 TRP HA . 25210 1 866 . 1 1 74 74 TRP HB2 H 1 2.676 0.01 . 1 . 790 . . 74 TRP HB2 . 25210 1 867 . 1 1 74 74 TRP HB3 H 1 2.814 0.01 . 1 . 791 . . 74 TRP HB3 . 25210 1 868 . 1 1 74 74 TRP HD1 H 1 7.066 0.01 . 1 . 793 . . 74 TRP HD1 . 25210 1 869 . 1 1 74 74 TRP HE1 H 1 9.827 0.01 . 1 . 794 . . 74 TRP HE1 . 25210 1 870 . 1 1 74 74 TRP HE3 H 1 7.322 0.01 . 1 . 796 . . 74 TRP HE3 . 25210 1 871 . 1 1 74 74 TRP HZ2 H 1 7.389 0.01 . 1 . 798 . . 74 TRP HZ2 . 25210 1 872 . 1 1 74 74 TRP HZ3 H 1 6.931 0.01 . 1 . 800 . . 74 TRP HZ3 . 25210 1 873 . 1 1 74 74 TRP HH2 H 1 7.117 0.01 . 1 . 802 . . 74 TRP HH2 . 25210 1 874 . 1 1 74 74 TRP C C 13 175.520 0.10 . 1 . 788 . . 74 TRP C . 25210 1 875 . 1 1 74 74 TRP CA C 13 56.050 0.10 . 1 . 786 . . 74 TRP CA . 25210 1 876 . 1 1 74 74 TRP CB C 13 31.440 0.10 . 1 . 789 . . 74 TRP CB . 25210 1 877 . 1 1 74 74 TRP CD1 C 13 121.800 0.10 . 1 . 792 . . 74 TRP CD1 . 25210 1 878 . 1 1 74 74 TRP CE3 C 13 119.760 0.10 . 1 . 795 . . 74 TRP CE3 . 25210 1 879 . 1 1 74 74 TRP CZ2 C 13 113.870 0.10 . 1 . 797 . . 74 TRP CZ2 . 25210 1 880 . 1 1 74 74 TRP CZ3 C 13 120.870 0.10 . 1 . 799 . . 74 TRP CZ3 . 25210 1 881 . 1 1 74 74 TRP CH2 C 13 123.800 0.10 . 1 . 801 . . 74 TRP CH2 . 25210 1 882 . 1 1 74 74 TRP N N 15 121.790 0.10 . 1 . 784 . . 74 TRP N . 25210 1 883 . 1 1 75 75 ARG H H 1 8.556 0.01 . 1 . 804 . . 75 ARG H . 25210 1 884 . 1 1 75 75 ARG HA H 1 4.633 0.01 . 1 . 806 . . 75 ARG HA . 25210 1 885 . 1 1 75 75 ARG HB2 H 1 1.896 0.01 . 1 . 809 . . 75 ARG HB2 . 25210 1 886 . 1 1 75 75 ARG HB3 H 1 1.685 0.01 . 1 . 810 . . 75 ARG HB3 . 25210 1 887 . 1 1 75 75 ARG HG2 H 1 1.684 0.01 . 2 . 812 . . 75 ARG HG2 . 25210 1 888 . 1 1 75 75 ARG HG3 H 1 1.627 0.01 . 2 . 813 . . 75 ARG HG3 . 25210 1 889 . 1 1 75 75 ARG HD2 H 1 3.256 0.01 . 2 . 815 . . 75 ARG HD2 . 25210 1 890 . 1 1 75 75 ARG HD3 H 1 3.142 0.01 . 2 . 816 . . 75 ARG HD3 . 25210 1 891 . 1 1 75 75 ARG HE H 1 7.534 0.01 . 1 . 817 . . 75 ARG HE . 25210 1 892 . 1 1 75 75 ARG HH11 H 1 6.812 0.10 . 1 . 818 . . 75 ARG HH11 . 25210 1 893 . 1 1 75 75 ARG HH12 H 1 6.812 0.10 . 1 . 819 . . 75 ARG HH12 . 25210 1 894 . 1 1 75 75 ARG HH21 H 1 6.812 0.10 . 1 . 820 . . 75 ARG HH21 . 25210 1 895 . 1 1 75 75 ARG HH22 H 1 6.812 0.10 . 1 . 821 . . 75 ARG HH22 . 25210 1 896 . 1 1 75 75 ARG C C 13 174.390 0.10 . 1 . 807 . . 75 ARG C . 25210 1 897 . 1 1 75 75 ARG CA C 13 55.090 0.10 . 1 . 805 . . 75 ARG CA . 25210 1 898 . 1 1 75 75 ARG CB C 13 34.280 0.10 . 1 . 808 . . 75 ARG CB . 25210 1 899 . 1 1 75 75 ARG CG C 13 27.210 0.10 . 1 . 811 . . 75 ARG CG . 25210 1 900 . 1 1 75 75 ARG CD C 13 44.140 0.10 . 1 . 814 . . 75 ARG CD . 25210 1 901 . 1 1 75 75 ARG N N 15 119.960 0.10 . 1 . 803 . . 75 ARG N . 25210 1 902 . 1 1 76 76 TYR H H 1 8.735 0.01 . 1 . 823 . . 76 TYR H . 25210 1 903 . 1 1 76 76 TYR HA H 1 5.266 0.01 . 1 . 825 . . 76 TYR HA . 25210 1 904 . 1 1 76 76 TYR HB2 H 1 2.502 0.01 . 1 . 828 . . 76 TYR HB2 . 25210 1 905 . 1 1 76 76 TYR HB3 H 1 2.608 0.01 . 1 . 829 . . 76 TYR HB3 . 25210 1 906 . 1 1 76 76 TYR HD1 H 1 6.917 0.01 . 1 . 832 . . 76 TYR HD1 . 25210 1 907 . 1 1 76 76 TYR HD2 H 1 6.917 0.01 . 1 . 833 . . 76 TYR HD2 . 25210 1 908 . 1 1 76 76 TYR HE1 H 1 6.592 0.01 . 1 . 836 . . 76 TYR HE1 . 25210 1 909 . 1 1 76 76 TYR HE2 H 1 6.592 0.01 . 1 . 837 . . 76 TYR HE2 . 25210 1 910 . 1 1 76 76 TYR C C 13 174.290 0.10 . 1 . 826 . . 76 TYR C . 25210 1 911 . 1 1 76 76 TYR CA C 13 57.960 0.10 . 1 . 824 . . 76 TYR CA . 25210 1 912 . 1 1 76 76 TYR CB C 13 41.830 0.10 . 1 . 827 . . 76 TYR CB . 25210 1 913 . 1 1 76 76 TYR CD1 C 13 132.440 0.10 . 1 . 830 . . 76 TYR CD1 . 25210 1 914 . 1 1 76 76 TYR CD2 C 13 132.440 0.10 . 1 . 831 . . 76 TYR CD2 . 25210 1 915 . 1 1 76 76 TYR CE1 C 13 117.150 0.10 . 1 . 834 . . 76 TYR CE1 . 25210 1 916 . 1 1 76 76 TYR CE2 C 13 117.150 0.10 . 1 . 835 . . 76 TYR CE2 . 25210 1 917 . 1 1 76 76 TYR N N 15 120.190 0.10 . 1 . 822 . . 76 TYR N . 25210 1 918 . 1 1 77 77 TYR H H 1 9.079 0.01 . 1 . 839 . . 77 TYR H . 25210 1 919 . 1 1 77 77 TYR HA H 1 5.213 0.01 . 1 . 841 . . 77 TYR HA . 25210 1 920 . 1 1 77 77 TYR HB2 H 1 2.836 0.01 . 1 . 844 . . 77 TYR HB2 . 25210 1 921 . 1 1 77 77 TYR HB3 H 1 2.734 0.01 . 1 . 845 . . 77 TYR HB3 . 25210 1 922 . 1 1 77 77 TYR HD1 H 1 6.743 0.01 . 1 . 848 . . 77 TYR HD1 . 25210 1 923 . 1 1 77 77 TYR HD2 H 1 6.743 0.01 . 1 . 849 . . 77 TYR HD2 . 25210 1 924 . 1 1 77 77 TYR HE1 H 1 6.549 0.01 . 1 . 852 . . 77 TYR HE1 . 25210 1 925 . 1 1 77 77 TYR HE2 H 1 6.549 0.01 . 1 . 853 . . 77 TYR HE2 . 25210 1 926 . 1 1 77 77 TYR C C 13 175.440 0.10 . 1 . 842 . . 77 TYR C . 25210 1 927 . 1 1 77 77 TYR CA C 13 56.870 0.10 . 1 . 840 . . 77 TYR CA . 25210 1 928 . 1 1 77 77 TYR CB C 13 42.890 0.10 . 1 . 843 . . 77 TYR CB . 25210 1 929 . 1 1 77 77 TYR CD1 C 13 131.000 0.10 . 1 . 846 . . 77 TYR CD1 . 25210 1 930 . 1 1 77 77 TYR CD2 C 13 131.000 0.10 . 1 . 847 . . 77 TYR CD2 . 25210 1 931 . 1 1 77 77 TYR CE1 C 13 117.230 0.10 . 1 . 850 . . 77 TYR CE1 . 25210 1 932 . 1 1 77 77 TYR CE2 C 13 117.230 0.10 . 1 . 851 . . 77 TYR CE2 . 25210 1 933 . 1 1 77 77 TYR N N 15 118.250 0.10 . 1 . 838 . . 77 TYR N . 25210 1 934 . 1 1 78 78 LEU H H 1 8.997 0.01 . 1 . 855 . . 78 LEU H . 25210 1 935 . 1 1 78 78 LEU HA H 1 4.685 0.01 . 1 . 857 . . 78 LEU HA . 25210 1 936 . 1 1 78 78 LEU HB2 H 1 1.488 0.01 . 1 . 860 . . 78 LEU HB2 . 25210 1 937 . 1 1 78 78 LEU HB3 H 1 1.018 0.01 . 1 . 861 . . 78 LEU HB3 . 25210 1 938 . 1 1 78 78 LEU HG H 1 1.551 0.01 . 1 . 863 . . 78 LEU HG . 25210 1 939 . 1 1 78 78 LEU HD11 H 1 0.625 0.01 . 2 . 865 . . 78 LEU HD11 . 25210 1 940 . 1 1 78 78 LEU HD12 H 1 0.625 0.01 . 2 . 865 . . 78 LEU HD12 . 25210 1 941 . 1 1 78 78 LEU HD13 H 1 0.625 0.01 . 2 . 865 . . 78 LEU HD13 . 25210 1 942 . 1 1 78 78 LEU HD21 H 1 0.522 0.01 . 2 . 867 . . 78 LEU HD21 . 25210 1 943 . 1 1 78 78 LEU HD22 H 1 0.522 0.01 . 2 . 867 . . 78 LEU HD22 . 25210 1 944 . 1 1 78 78 LEU HD23 H 1 0.522 0.01 . 2 . 867 . . 78 LEU HD23 . 25210 1 945 . 1 1 78 78 LEU C C 13 176.110 0.10 . 1 . 858 . . 78 LEU C . 25210 1 946 . 1 1 78 78 LEU CA C 13 54.070 0.10 . 1 . 856 . . 78 LEU CA . 25210 1 947 . 1 1 78 78 LEU CB C 13 42.920 0.10 . 1 . 859 . . 78 LEU CB . 25210 1 948 . 1 1 78 78 LEU CG C 13 26.870 0.10 . 1 . 862 . . 78 LEU CG . 25210 1 949 . 1 1 78 78 LEU CD1 C 13 27.070 0.10 . 1 . 864 . . 78 LEU CD1 . 25210 1 950 . 1 1 78 78 LEU CD2 C 13 25.890 0.10 . 1 . 866 . . 78 LEU CD2 . 25210 1 951 . 1 1 78 78 LEU N N 15 122.570 0.10 . 1 . 854 . . 78 LEU N . 25210 1 952 . 1 1 79 79 ASP H H 1 9.451 0.01 . 1 . 869 . . 79 ASP H . 25210 1 953 . 1 1 79 79 ASP HA H 1 4.173 0.01 . 1 . 871 . . 79 ASP HA . 25210 1 954 . 1 1 79 79 ASP HB2 H 1 2.768 0.01 . 2 . 874 . . 79 ASP HB2 . 25210 1 955 . 1 1 79 79 ASP HB3 H 1 3.089 0.01 . 2 . 875 . . 79 ASP HB3 . 25210 1 956 . 1 1 79 79 ASP C C 13 175.460 0.10 . 1 . 872 . . 79 ASP C . 25210 1 957 . 1 1 79 79 ASP CA C 13 56.670 0.10 . 1 . 870 . . 79 ASP CA . 25210 1 958 . 1 1 79 79 ASP CB C 13 39.780 0.10 . 1 . 873 . . 79 ASP CB . 25210 1 959 . 1 1 79 79 ASP N N 15 123.930 0.10 . 1 . 868 . . 79 ASP N . 25210 1 960 . 1 1 80 80 SER H H 1 8.184 0.01 . 1 . 877 . . 80 SER H . 25210 1 961 . 1 1 80 80 SER HA H 1 4.389 0.01 . 1 . 879 . . 80 SER HA . 25210 1 962 . 1 1 80 80 SER HB2 H 1 3.894 0.01 . 2 . 882 . . 80 SER HB2 . 25210 1 963 . 1 1 80 80 SER HB3 H 1 4.104 0.01 . 2 . 883 . . 80 SER HB3 . 25210 1 964 . 1 1 80 80 SER C C 13 173.770 0.10 . 1 . 880 . . 80 SER C . 25210 1 965 . 1 1 80 80 SER CA C 13 59.150 0.10 . 1 . 878 . . 80 SER CA . 25210 1 966 . 1 1 80 80 SER CB C 13 63.520 0.10 . 1 . 881 . . 80 SER CB . 25210 1 967 . 1 1 80 80 SER N N 15 114.610 0.10 . 1 . 876 . . 80 SER N . 25210 1 968 . 1 1 81 81 VAL H H 1 8.235 0.01 . 1 . 885 . . 81 VAL H . 25210 1 969 . 1 1 81 81 VAL HA H 1 4.016 0.01 . 1 . 887 . . 81 VAL HA . 25210 1 970 . 1 1 81 81 VAL HB H 1 2.339 0.01 . 1 . 890 . . 81 VAL HB . 25210 1 971 . 1 1 81 81 VAL HG11 H 1 0.812 0.01 . 2 . 892 . . 81 VAL HG11 . 25210 1 972 . 1 1 81 81 VAL HG12 H 1 0.812 0.01 . 2 . 892 . . 81 VAL HG12 . 25210 1 973 . 1 1 81 81 VAL HG13 H 1 0.812 0.01 . 2 . 892 . . 81 VAL HG13 . 25210 1 974 . 1 1 81 81 VAL HG21 H 1 0.750 0.01 . 2 . 894 . . 81 VAL HG21 . 25210 1 975 . 1 1 81 81 VAL HG22 H 1 0.750 0.01 . 2 . 894 . . 81 VAL HG22 . 25210 1 976 . 1 1 81 81 VAL HG23 H 1 0.750 0.01 . 2 . 894 . . 81 VAL HG23 . 25210 1 977 . 1 1 81 81 VAL C C 13 174.290 0.10 . 1 . 888 . . 81 VAL C . 25210 1 978 . 1 1 81 81 VAL CA C 13 62.280 0.10 . 1 . 886 . . 81 VAL CA . 25210 1 979 . 1 1 81 81 VAL CB C 13 33.020 0.10 . 1 . 889 . . 81 VAL CB . 25210 1 980 . 1 1 81 81 VAL CG1 C 13 20.940 0.10 . 1 . 891 . . 81 VAL CG1 . 25210 1 981 . 1 1 81 81 VAL CG2 C 13 20.940 0.10 . 1 . 893 . . 81 VAL CG2 . 25210 1 982 . 1 1 81 81 VAL N N 15 124.570 0.10 . 1 . 884 . . 81 VAL N . 25210 1 983 . 1 1 82 82 GLU H H 1 8.422 0.01 . 1 . 896 . . 82 GLU H . 25210 1 984 . 1 1 82 82 GLU HA H 1 3.907 0.01 . 1 . 898 . . 82 GLU HA . 25210 1 985 . 1 1 82 82 GLU HB2 H 1 1.618 0.01 . 2 . 901 . . 82 GLU HB2 . 25210 1 986 . 1 1 82 82 GLU HB3 H 1 1.514 0.01 . 2 . 902 . . 82 GLU HB3 . 25210 1 987 . 1 1 82 82 GLU HG2 H 1 1.834 0.01 . 2 . 904 . . 82 GLU HG2 . 25210 1 988 . 1 1 82 82 GLU HG3 H 1 2.075 0.01 . 2 . 905 . . 82 GLU HG3 . 25210 1 989 . 1 1 82 82 GLU C C 13 175.950 0.10 . 1 . 899 . . 82 GLU C . 25210 1 990 . 1 1 82 82 GLU CA C 13 56.100 0.10 . 1 . 897 . . 82 GLU CA . 25210 1 991 . 1 1 82 82 GLU CB C 13 28.810 0.10 . 1 . 900 . . 82 GLU CB . 25210 1 992 . 1 1 82 82 GLU CG C 13 36.250 0.10 . 1 . 903 . . 82 GLU CG . 25210 1 993 . 1 1 82 82 GLU N N 15 130.850 0.10 . 1 . 895 . . 82 GLU N . 25210 1 994 . 1 1 83 83 VAL H H 1 8.463 0.01 . 1 . 907 . . 83 VAL H . 25210 1 995 . 1 1 83 83 VAL HA H 1 4.891 0.01 . 1 . 909 . . 83 VAL HA . 25210 1 996 . 1 1 83 83 VAL HB H 1 1.877 0.01 . 1 . 912 . . 83 VAL HB . 25210 1 997 . 1 1 83 83 VAL HG11 H 1 0.785 0.01 . 2 . 914 . . 83 VAL HG11 . 25210 1 998 . 1 1 83 83 VAL HG12 H 1 0.785 0.01 . 2 . 914 . . 83 VAL HG12 . 25210 1 999 . 1 1 83 83 VAL HG13 H 1 0.785 0.01 . 2 . 914 . . 83 VAL HG13 . 25210 1 1000 . 1 1 83 83 VAL HG21 H 1 0.383 0.01 . 2 . 916 . . 83 VAL HG21 . 25210 1 1001 . 1 1 83 83 VAL HG22 H 1 0.383 0.01 . 2 . 916 . . 83 VAL HG22 . 25210 1 1002 . 1 1 83 83 VAL HG23 H 1 0.383 0.01 . 2 . 916 . . 83 VAL HG23 . 25210 1 1003 . 1 1 83 83 VAL C C 13 174.170 0.10 . 1 . 910 . . 83 VAL C . 25210 1 1004 . 1 1 83 83 VAL CA C 13 58.630 0.10 . 1 . 908 . . 83 VAL CA . 25210 1 1005 . 1 1 83 83 VAL CB C 13 35.010 0.10 . 1 . 911 . . 83 VAL CB . 25210 1 1006 . 1 1 83 83 VAL CG1 C 13 21.900 0.10 . 1 . 913 . . 83 VAL CG1 . 25210 1 1007 . 1 1 83 83 VAL CG2 C 13 17.530 0.10 . 1 . 915 . . 83 VAL CG2 . 25210 1 1008 . 1 1 83 83 VAL N N 15 115.680 0.10 . 1 . 906 . . 83 VAL N . 25210 1 1009 . 1 1 84 84 HIS H H 1 9.211 0.01 . 1 . 918 . . 84 HIS H . 25210 1 1010 . 1 1 84 84 HIS HA H 1 4.852 0.01 . 1 . 920 . . 84 HIS HA . 25210 1 1011 . 1 1 84 84 HIS HB2 H 1 3.128 0.01 . 1 . 923 . . 84 HIS HB2 . 25210 1 1012 . 1 1 84 84 HIS HB3 H 1 2.669 0.01 . 1 . 924 . . 84 HIS HB3 . 25210 1 1013 . 1 1 84 84 HIS HD2 H 1 6.417 0.01 . 1 . 926 . . 84 HIS HD2 . 25210 1 1014 . 1 1 84 84 HIS HE1 H 1 7.633 0.01 . 1 . 928 . . 84 HIS HE1 . 25210 1 1015 . 1 1 84 84 HIS C C 13 172.870 0.10 . 1 . 921 . . 84 HIS C . 25210 1 1016 . 1 1 84 84 HIS CA C 13 55.610 0.10 . 1 . 919 . . 84 HIS CA . 25210 1 1017 . 1 1 84 84 HIS CB C 13 29.450 0.10 . 1 . 922 . . 84 HIS CB . 25210 1 1018 . 1 1 84 84 HIS CD2 C 13 118.800 0.10 . 1 . 925 . . 84 HIS CD2 . 25210 1 1019 . 1 1 84 84 HIS CE1 C 13 137.170 0.10 . 1 . 927 . . 84 HIS CE1 . 25210 1 1020 . 1 1 84 84 HIS N N 15 120.140 0.10 . 1 . 917 . . 84 HIS N . 25210 1 1021 . 1 1 85 85 LEU H H 1 7.540 0.01 . 1 . 930 . . 85 LEU H . 25210 1 1022 . 1 1 85 85 LEU HA H 1 4.579 0.01 . 1 . 932 . . 85 LEU HA . 25210 1 1023 . 1 1 85 85 LEU HB2 H 1 1.130 0.01 . 1 . 935 . . 85 LEU HB2 . 25210 1 1024 . 1 1 85 85 LEU HB3 H 1 0.439 0.01 . 1 . 936 . . 85 LEU HB3 . 25210 1 1025 . 1 1 85 85 LEU HG H 1 1.202 0.01 . 1 . 937 . . 85 LEU HG . 25210 1 1026 . 1 1 85 85 LEU HD11 H 1 0.664 0.01 . 2 . 939 . . 85 LEU HD11 . 25210 1 1027 . 1 1 85 85 LEU HD12 H 1 0.664 0.01 . 2 . 939 . . 85 LEU HD12 . 25210 1 1028 . 1 1 85 85 LEU HD13 H 1 0.664 0.01 . 2 . 939 . . 85 LEU HD13 . 25210 1 1029 . 1 1 85 85 LEU HD21 H 1 0.037 0.01 . 2 . 941 . . 85 LEU HD21 . 25210 1 1030 . 1 1 85 85 LEU HD22 H 1 0.037 0.01 . 2 . 941 . . 85 LEU HD22 . 25210 1 1031 . 1 1 85 85 LEU HD23 H 1 0.037 0.01 . 2 . 941 . . 85 LEU HD23 . 25210 1 1032 . 1 1 85 85 LEU C C 13 172.250 0.10 . 1 . 933 . . 85 LEU C . 25210 1 1033 . 1 1 85 85 LEU CA C 13 50.370 0.10 . 1 . 931 . . 85 LEU CA . 25210 1 1034 . 1 1 85 85 LEU CB C 13 45.020 0.10 . 1 . 934 . . 85 LEU CB . 25210 1 1035 . 1 1 85 85 LEU CD1 C 13 26.040 0.10 . 1 . 938 . . 85 LEU CD1 . 25210 1 1036 . 1 1 85 85 LEU CD2 C 13 25.380 0.10 . 1 . 940 . . 85 LEU CD2 . 25210 1 1037 . 1 1 85 85 LEU N N 15 130.390 0.10 . 1 . 929 . . 85 LEU N . 25210 1 1038 . 1 1 86 86 PRO HA H 1 4.169 0.01 . 1 . 943 . . 86 PRO HA . 25210 1 1039 . 1 1 86 86 PRO HB2 H 1 0.654 0.01 . 1 . 945 . . 86 PRO HB2 . 25210 1 1040 . 1 1 86 86 PRO HB3 H 1 -0.366 0.01 . 1 . 946 . . 86 PRO HB3 . 25210 1 1041 . 1 1 86 86 PRO HG2 H 1 0.850 0.01 . 1 . 947 . . 86 PRO HG2 . 25210 1 1042 . 1 1 86 86 PRO HG3 H 1 0.850 0.01 . 1 . 948 . . 86 PRO HG3 . 25210 1 1043 . 1 1 86 86 PRO HD2 H 1 3.119 0.01 . 2 . 950 . . 86 PRO HD2 . 25210 1 1044 . 1 1 86 86 PRO HD3 H 1 3.855 0.01 . 2 . 951 . . 86 PRO HD3 . 25210 1 1045 . 1 1 86 86 PRO CA C 13 63.210 0.10 . 1 . 942 . . 86 PRO CA . 25210 1 1046 . 1 1 86 86 PRO CB C 13 30.500 0.10 . 1 . 944 . . 86 PRO CB . 25210 1 1047 . 1 1 86 86 PRO CD C 13 51.660 0.10 . 1 . 949 . . 86 PRO CD . 25210 1 1048 . 1 1 87 87 PRO HA H 1 4.096 0.01 . 1 . 953 . . 87 PRO HA . 25210 1 1049 . 1 1 87 87 PRO HB2 H 1 2.266 0.01 . 1 . 956 . . 87 PRO HB2 . 25210 1 1050 . 1 1 87 87 PRO HB3 H 1 1.957 0.01 . 1 . 957 . . 87 PRO HB3 . 25210 1 1051 . 1 1 87 87 PRO HG2 H 1 2.117 0.01 . 1 . 959 . . 87 PRO HG2 . 25210 1 1052 . 1 1 87 87 PRO HG3 H 1 2.032 0.01 . 1 . 960 . . 87 PRO HG3 . 25210 1 1053 . 1 1 87 87 PRO HD2 H 1 3.675 0.01 . 1 . 962 . . 87 PRO HD2 . 25210 1 1054 . 1 1 87 87 PRO HD3 H 1 3.551 0.01 . 1 . 963 . . 87 PRO HD3 . 25210 1 1055 . 1 1 87 87 PRO C C 13 178.370 0.10 . 1 . 954 . . 87 PRO C . 25210 1 1056 . 1 1 87 87 PRO CA C 13 65.010 0.10 . 1 . 952 . . 87 PRO CA . 25210 1 1057 . 1 1 87 87 PRO CB C 13 31.560 0.10 . 1 . 955 . . 87 PRO CB . 25210 1 1058 . 1 1 87 87 PRO CG C 13 27.540 0.10 . 1 . 958 . . 87 PRO CG . 25210 1 1059 . 1 1 87 87 PRO CD C 13 51.370 0.10 . 1 . 961 . . 87 PRO CD . 25210 1 1060 . 1 1 88 88 PHE H H 1 6.374 0.01 . 1 . 965 . . 88 PHE H . 25210 1 1061 . 1 1 88 88 PHE HA H 1 4.634 0.01 . 1 . 967 . . 88 PHE HA . 25210 1 1062 . 1 1 88 88 PHE HB2 H 1 3.124 0.01 . 1 . 970 . . 88 PHE HB2 . 25210 1 1063 . 1 1 88 88 PHE HB3 H 1 3.286 0.01 . 1 . 971 . . 88 PHE HB3 . 25210 1 1064 . 1 1 88 88 PHE HD1 H 1 6.920 0.01 . 1 . 976 . . 88 PHE HD1 . 25210 1 1065 . 1 1 88 88 PHE HD2 H 1 6.920 0.01 . 1 . 977 . . 88 PHE HD2 . 25210 1 1066 . 1 1 88 88 PHE HE1 H 1 6.885 0.01 . 1 . 980 . . 88 PHE HE1 . 25210 1 1067 . 1 1 88 88 PHE HE2 H 1 6.885 0.01 . 1 . 981 . . 88 PHE HE2 . 25210 1 1068 . 1 1 88 88 PHE HZ H 1 6.993 0.01 . 1 . 973 . . 88 PHE HZ . 25210 1 1069 . 1 1 88 88 PHE C C 13 176.070 0.10 . 1 . 968 . . 88 PHE C . 25210 1 1070 . 1 1 88 88 PHE CA C 13 56.040 0.10 . 1 . 966 . . 88 PHE CA . 25210 1 1071 . 1 1 88 88 PHE CB C 13 36.590 0.10 . 1 . 969 . . 88 PHE CB . 25210 1 1072 . 1 1 88 88 PHE CD1 C 13 132.340 0.10 . 1 . 974 . . 88 PHE CD1 . 25210 1 1073 . 1 1 88 88 PHE CD2 C 13 132.340 0.10 . 1 . 975 . . 88 PHE CD2 . 25210 1 1074 . 1 1 88 88 PHE CE1 C 13 132.340 0.10 . 1 . 978 . . 88 PHE CE1 . 25210 1 1075 . 1 1 88 88 PHE CE2 C 13 132.340 0.10 . 1 . 979 . . 88 PHE CE2 . 25210 1 1076 . 1 1 88 88 PHE CZ C 13 124.370 0.10 . 1 . 972 . . 88 PHE CZ . 25210 1 1077 . 1 1 88 88 PHE N N 15 112.440 0.10 . 1 . 964 . . 88 PHE N . 25210 1 1078 . 1 1 89 89 TRP H H 1 7.821 0.01 . 1 . 983 . . 89 TRP H . 25210 1 1079 . 1 1 89 89 TRP HA H 1 5.070 0.01 . 1 . 985 . . 89 TRP HA . 25210 1 1080 . 1 1 89 89 TRP HB2 H 1 3.455 0.01 . 1 . 988 . . 89 TRP HB2 . 25210 1 1081 . 1 1 89 89 TRP HB3 H 1 2.909 0.01 . 1 . 989 . . 89 TRP HB3 . 25210 1 1082 . 1 1 89 89 TRP HD1 H 1 7.101 0.01 . 1 . 991 . . 89 TRP HD1 . 25210 1 1083 . 1 1 89 89 TRP HE1 H 1 10.521 0.01 . 1 . 992 . . 89 TRP HE1 . 25210 1 1084 . 1 1 89 89 TRP HE3 H 1 6.949 0.01 . 1 . 994 . . 89 TRP HE3 . 25210 1 1085 . 1 1 89 89 TRP HZ2 H 1 6.998 0.01 . 1 . 996 . . 89 TRP HZ2 . 25210 1 1086 . 1 1 89 89 TRP HZ3 H 1 6.541 0.01 . 1 . 998 . . 89 TRP HZ3 . 25210 1 1087 . 1 1 89 89 TRP HH2 H 1 6.499 0.01 . 1 . 1000 . . 89 TRP HH2 . 25210 1 1088 . 1 1 89 89 TRP C C 13 177.230 0.10 . 1 . 986 . . 89 TRP C . 25210 1 1089 . 1 1 89 89 TRP CA C 13 54.580 0.10 . 1 . 984 . . 89 TRP CA . 25210 1 1090 . 1 1 89 89 TRP CB C 13 29.550 0.10 . 1 . 987 . . 89 TRP CB . 25210 1 1091 . 1 1 89 89 TRP CD1 C 13 126.140 0.10 . 1 . 990 . . 89 TRP CD1 . 25210 1 1092 . 1 1 89 89 TRP CE3 C 13 118.350 0.10 . 1 . 993 . . 89 TRP CE3 . 25210 1 1093 . 1 1 89 89 TRP CZ2 C 13 112.400 0.10 . 1 . 995 . . 89 TRP CZ2 . 25210 1 1094 . 1 1 89 89 TRP CZ3 C 13 117.220 0.10 . 1 . 997 . . 89 TRP CZ3 . 25210 1 1095 . 1 1 89 89 TRP CH2 C 13 120.360 0.10 . 1 . 999 . . 89 TRP CH2 . 25210 1 1096 . 1 1 89 89 TRP N N 15 119.540 0.10 . 1 . 982 . . 89 TRP N . 25210 1 1097 . 1 1 90 90 GLU H H 1 7.597 0.01 . 1 . 1002 . . 90 GLU H . 25210 1 1098 . 1 1 90 90 GLU HA H 1 3.611 0.01 . 1 . 1004 . . 90 GLU HA . 25210 1 1099 . 1 1 90 90 GLU HB2 H 1 2.047 0.01 . 2 . 1007 . . 90 GLU HB2 . 25210 1 1100 . 1 1 90 90 GLU HB3 H 1 2.146 0.01 . 2 . 1008 . . 90 GLU HB3 . 25210 1 1101 . 1 1 90 90 GLU HG2 H 1 2.219 0.01 . 2 . 1010 . . 90 GLU HG2 . 25210 1 1102 . 1 1 90 90 GLU HG3 H 1 2.454 0.01 . 2 . 1011 . . 90 GLU HG3 . 25210 1 1103 . 1 1 90 90 GLU C C 13 178.370 0.10 . 1 . 1005 . . 90 GLU C . 25210 1 1104 . 1 1 90 90 GLU CA C 13 60.100 0.10 . 1 . 1003 . . 90 GLU CA . 25210 1 1105 . 1 1 90 90 GLU CB C 13 28.640 0.10 . 1 . 1006 . . 90 GLU CB . 25210 1 1106 . 1 1 90 90 GLU CG C 13 36.430 0.10 . 1 . 1009 . . 90 GLU CG . 25210 1 1107 . 1 1 90 90 GLU N N 15 122.950 0.10 . 1 . 1001 . . 90 GLU N . 25210 1 1108 . 1 1 91 91 GLN H H 1 8.184 0.01 . 1 . 1013 . . 91 GLN H . 25210 1 1109 . 1 1 91 91 GLN HA H 1 4.102 0.01 . 1 . 1015 . . 91 GLN HA . 25210 1 1110 . 1 1 91 91 GLN HB2 H 1 1.833 0.01 . 2 . 1018 . . 91 GLN HB2 . 25210 1 1111 . 1 1 91 91 GLN HB3 H 1 1.704 0.01 . 2 . 1019 . . 91 GLN HB3 . 25210 1 1112 . 1 1 91 91 GLN HG2 H 1 1.524 0.01 . 2 . 1021 . . 91 GLN HG2 . 25210 1 1113 . 1 1 91 91 GLN HG3 H 1 0.816 0.01 . 2 . 1022 . . 91 GLN HG3 . 25210 1 1114 . 1 1 91 91 GLN HE21 H 1 6.706 0.01 . 1 . 1023 . . 91 GLN HE21 . 25210 1 1115 . 1 1 91 91 GLN HE22 H 1 7.249 0.01 . 1 . 1024 . . 91 GLN HE22 . 25210 1 1116 . 1 1 91 91 GLN C C 13 175.890 0.10 . 1 . 1016 . . 91 GLN C . 25210 1 1117 . 1 1 91 91 GLN CA C 13 56.690 0.10 . 1 . 1014 . . 91 GLN CA . 25210 1 1118 . 1 1 91 91 GLN CB C 13 27.910 0.10 . 1 . 1017 . . 91 GLN CB . 25210 1 1119 . 1 1 91 91 GLN CG C 13 31.370 0.10 . 1 . 1020 . . 91 GLN CG . 25210 1 1120 . 1 1 91 91 GLN N N 15 113.520 0.10 . 1 . 1012 . . 91 GLN N . 25210 1 1121 . 1 1 92 92 TYR H H 1 7.604 0.01 . 1 . 1026 . . 92 TYR H . 25210 1 1122 . 1 1 92 92 TYR HA H 1 4.905 0.01 . 1 . 1028 . . 92 TYR HA . 25210 1 1123 . 1 1 92 92 TYR HB2 H 1 3.310 0.01 . 1 . 1031 . . 92 TYR HB2 . 25210 1 1124 . 1 1 92 92 TYR HB3 H 1 2.502 0.01 . 1 . 1032 . . 92 TYR HB3 . 25210 1 1125 . 1 1 92 92 TYR HD1 H 1 6.724 0.01 . 1 . 1035 . . 92 TYR HD1 . 25210 1 1126 . 1 1 92 92 TYR HD2 H 1 6.724 0.01 . 1 . 1036 . . 92 TYR HD2 . 25210 1 1127 . 1 1 92 92 TYR HE1 H 1 6.571 0.01 . 1 . 1039 . . 92 TYR HE1 . 25210 1 1128 . 1 1 92 92 TYR HE2 H 1 6.571 0.01 . 1 . 1040 . . 92 TYR HE2 . 25210 1 1129 . 1 1 92 92 TYR C C 13 175.460 0.10 . 1 . 1029 . . 92 TYR C . 25210 1 1130 . 1 1 92 92 TYR CA C 13 55.650 0.10 . 1 . 1027 . . 92 TYR CA . 25210 1 1131 . 1 1 92 92 TYR CB C 13 37.970 0.10 . 1 . 1030 . . 92 TYR CB . 25210 1 1132 . 1 1 92 92 TYR CD1 C 13 131.020 0.10 . 1 . 1033 . . 92 TYR CD1 . 25210 1 1133 . 1 1 92 92 TYR CD2 C 13 131.020 0.10 . 1 . 1034 . . 92 TYR CD2 . 25210 1 1134 . 1 1 92 92 TYR CE1 C 13 117.260 0.10 . 1 . 1037 . . 92 TYR CE1 . 25210 1 1135 . 1 1 92 92 TYR CE2 C 13 117.260 0.10 . 1 . 1038 . . 92 TYR CE2 . 25210 1 1136 . 1 1 92 92 TYR N N 15 118.790 0.10 . 1 . 1025 . . 92 TYR N . 25210 1 1137 . 1 1 93 93 ILE H H 1 7.083 0.01 . 1 . 1042 . . 93 ILE H . 25210 1 1138 . 1 1 93 93 ILE HA H 1 3.627 0.01 . 1 . 1044 . . 93 ILE HA . 25210 1 1139 . 1 1 93 93 ILE HB H 1 1.724 0.01 . 1 . 1047 . . 93 ILE HB . 25210 1 1140 . 1 1 93 93 ILE HG12 H 1 1.776 0.01 . 2 . 1049 . . 93 ILE HG12 . 25210 1 1141 . 1 1 93 93 ILE HG13 H 1 0.661 0.01 . 2 . 1050 . . 93 ILE HG13 . 25210 1 1142 . 1 1 93 93 ILE HG21 H 1 0.996 0.01 . 1 . 1052 . . 93 ILE HG21 . 25210 1 1143 . 1 1 93 93 ILE HG22 H 1 0.996 0.01 . 1 . 1052 . . 93 ILE HG22 . 25210 1 1144 . 1 1 93 93 ILE HG23 H 1 0.996 0.01 . 1 . 1052 . . 93 ILE HG23 . 25210 1 1145 . 1 1 93 93 ILE HD11 H 1 0.766 0.01 . 1 . 1054 . . 93 ILE HD11 . 25210 1 1146 . 1 1 93 93 ILE HD12 H 1 0.766 0.01 . 1 . 1054 . . 93 ILE HD12 . 25210 1 1147 . 1 1 93 93 ILE HD13 H 1 0.766 0.01 . 1 . 1054 . . 93 ILE HD13 . 25210 1 1148 . 1 1 93 93 ILE C C 13 175.380 0.10 . 1 . 1045 . . 93 ILE C . 25210 1 1149 . 1 1 93 93 ILE CA C 13 63.940 0.10 . 1 . 1043 . . 93 ILE CA . 25210 1 1150 . 1 1 93 93 ILE CB C 13 38.260 0.10 . 1 . 1046 . . 93 ILE CB . 25210 1 1151 . 1 1 93 93 ILE CG1 C 13 28.810 0.10 . 1 . 1048 . . 93 ILE CG1 . 25210 1 1152 . 1 1 93 93 ILE CG2 C 13 18.450 0.10 . 1 . 1051 . . 93 ILE CG2 . 25210 1 1153 . 1 1 93 93 ILE CD1 C 13 14.440 0.10 . 1 . 1053 . . 93 ILE CD1 . 25210 1 1154 . 1 1 93 93 ILE N N 15 120.980 0.10 . 1 . 1041 . . 93 ILE N . 25210 1 1155 . 1 1 94 94 ASN H H 1 9.409 0.01 . 1 . 1056 . . 94 ASN H . 25210 1 1156 . 1 1 94 94 ASN HA H 1 5.132 0.01 . 1 . 1058 . . 94 ASN HA . 25210 1 1157 . 1 1 94 94 ASN HB2 H 1 2.666 0.01 . 2 . 1061 . . 94 ASN HB2 . 25210 1 1158 . 1 1 94 94 ASN HB3 H 1 3.032 0.01 . 2 . 1062 . . 94 ASN HB3 . 25210 1 1159 . 1 1 94 94 ASN HD21 H 1 6.804 0.01 . 1 . 1063 . . 94 ASN HD21 . 25210 1 1160 . 1 1 94 94 ASN HD22 H 1 7.398 0.01 . 1 . 1064 . . 94 ASN HD22 . 25210 1 1161 . 1 1 94 94 ASN C C 13 174.990 0.10 . 1 . 1059 . . 94 ASN C . 25210 1 1162 . 1 1 94 94 ASN CA C 13 51.260 0.10 . 1 . 1057 . . 94 ASN CA . 25210 1 1163 . 1 1 94 94 ASN CB C 13 41.890 0.10 . 1 . 1060 . . 94 ASN CB . 25210 1 1164 . 1 1 94 94 ASN N N 15 130.210 0.10 . 1 . 1055 . . 94 ASN N . 25210 1 1165 . 1 1 95 95 ASP H H 1 8.630 0.01 . 1 . 1066 . . 95 ASP H . 25210 1 1166 . 1 1 95 95 ASP HA H 1 4.276 0.01 . 1 . 1068 . . 95 ASP HA . 25210 1 1167 . 1 1 95 95 ASP HB2 H 1 2.616 0.01 . 2 . 1071 . . 95 ASP HB2 . 25210 1 1168 . 1 1 95 95 ASP HB3 H 1 2.655 0.01 . 2 . 1072 . . 95 ASP HB3 . 25210 1 1169 . 1 1 95 95 ASP C C 13 176.660 0.10 . 1 . 1069 . . 95 ASP C . 25210 1 1170 . 1 1 95 95 ASP CA C 13 58.030 0.10 . 1 . 1067 . . 95 ASP CA . 25210 1 1171 . 1 1 95 95 ASP CB C 13 40.250 0.10 . 1 . 1070 . . 95 ASP CB . 25210 1 1172 . 1 1 95 95 ASP N N 15 120.530 0.10 . 1 . 1065 . . 95 ASP N . 25210 1 1173 . 1 1 96 96 GLU H H 1 7.785 0.01 . 1 . 1074 . . 96 GLU H . 25210 1 1174 . 1 1 96 96 GLU HA H 1 4.181 0.01 . 1 . 1076 . . 96 GLU HA . 25210 1 1175 . 1 1 96 96 GLU HB2 H 1 1.726 0.01 . 2 . 1079 . . 96 GLU HB2 . 25210 1 1176 . 1 1 96 96 GLU HB3 H 1 1.771 0.01 . 2 . 1080 . . 96 GLU HB3 . 25210 1 1177 . 1 1 96 96 GLU HG2 H 1 1.980 0.01 . 1 . 1082 . . 96 GLU HG2 . 25210 1 1178 . 1 1 96 96 GLU C C 13 174.430 0.10 . 1 . 1077 . . 96 GLU C . 25210 1 1179 . 1 1 96 96 GLU CA C 13 55.620 0.10 . 1 . 1075 . . 96 GLU CA . 25210 1 1180 . 1 1 96 96 GLU CB C 13 32.120 0.10 . 1 . 1078 . . 96 GLU CB . 25210 1 1181 . 1 1 96 96 GLU CG C 13 36.530 0.10 . 1 . 1081 . . 96 GLU CG . 25210 1 1182 . 1 1 96 96 GLU N N 15 116.940 0.10 . 1 . 1073 . . 96 GLU N . 25210 1 1183 . 1 1 97 97 ASN H H 1 7.239 0.01 . 1 . 1084 . . 97 ASN H . 25210 1 1184 . 1 1 97 97 ASN HA H 1 5.625 0.01 . 1 . 1086 . . 97 ASN HA . 25210 1 1185 . 1 1 97 97 ASN HB2 H 1 2.383 0.01 . 1 . 1089 . . 97 ASN HB2 . 25210 1 1186 . 1 1 97 97 ASN HB3 H 1 2.737 0.01 . 1 . 1090 . . 97 ASN HB3 . 25210 1 1187 . 1 1 97 97 ASN HD21 H 1 7.076 0.01 . 1 . 1091 . . 97 ASN HD21 . 25210 1 1188 . 1 1 97 97 ASN HD22 H 1 7.263 0.01 . 1 . 1092 . . 97 ASN HD22 . 25210 1 1189 . 1 1 97 97 ASN C C 13 174.110 0.10 . 1 . 1087 . . 97 ASN C . 25210 1 1190 . 1 1 97 97 ASN CA C 13 52.630 0.10 . 1 . 1085 . . 97 ASN CA . 25210 1 1191 . 1 1 97 97 ASN CB C 13 42.740 0.10 . 1 . 1088 . . 97 ASN CB . 25210 1 1192 . 1 1 97 97 ASN N N 15 118.480 0.10 . 1 . 1083 . . 97 ASN N . 25210 1 1193 . 1 1 98 98 THR H H 1 9.062 0.01 . 1 . 1094 . . 98 THR H . 25210 1 1194 . 1 1 98 98 THR HA H 1 4.618 0.01 . 1 . 1096 . . 98 THR HA . 25210 1 1195 . 1 1 98 98 THR HB H 1 4.025 0.01 . 1 . 1099 . . 98 THR HB . 25210 1 1196 . 1 1 98 98 THR HG21 H 1 1.132 0.01 . 1 . 1101 . . 98 THR HG21 . 25210 1 1197 . 1 1 98 98 THR HG22 H 1 1.132 0.01 . 1 . 1101 . . 98 THR HG22 . 25210 1 1198 . 1 1 98 98 THR HG23 H 1 1.132 0.01 . 1 . 1101 . . 98 THR HG23 . 25210 1 1199 . 1 1 98 98 THR C C 13 174.190 0.10 . 1 . 1097 . . 98 THR C . 25210 1 1200 . 1 1 98 98 THR CA C 13 61.930 0.10 . 1 . 1095 . . 98 THR CA . 25210 1 1201 . 1 1 98 98 THR CB C 13 69.070 0.10 . 1 . 1098 . . 98 THR CB . 25210 1 1202 . 1 1 98 98 THR CG2 C 13 22.080 0.10 . 1 . 1100 . . 98 THR CG2 . 25210 1 1203 . 1 1 98 98 THR N N 15 117.540 0.10 . 1 . 1093 . . 98 THR N . 25210 1 1204 . 1 1 99 99 VAL H H 1 9.154 0.01 . 1 . 1103 . . 99 VAL H . 25210 1 1205 . 1 1 99 99 VAL HA H 1 4.778 0.01 . 1 . 1105 . . 99 VAL HA . 25210 1 1206 . 1 1 99 99 VAL HB H 1 1.806 0.01 . 1 . 1108 . . 99 VAL HB . 25210 1 1207 . 1 1 99 99 VAL HG11 H 1 0.859 0.01 . 2 . 1110 . . 99 VAL HG11 . 25210 1 1208 . 1 1 99 99 VAL HG12 H 1 0.859 0.01 . 2 . 1110 . . 99 VAL HG12 . 25210 1 1209 . 1 1 99 99 VAL HG13 H 1 0.859 0.01 . 2 . 1110 . . 99 VAL HG13 . 25210 1 1210 . 1 1 99 99 VAL HG21 H 1 0.787 0.01 . 2 . 1112 . . 99 VAL HG21 . 25210 1 1211 . 1 1 99 99 VAL HG22 H 1 0.787 0.01 . 2 . 1112 . . 99 VAL HG22 . 25210 1 1212 . 1 1 99 99 VAL HG23 H 1 0.787 0.01 . 2 . 1112 . . 99 VAL HG23 . 25210 1 1213 . 1 1 99 99 VAL C C 13 174.290 0.10 . 1 . 1106 . . 99 VAL C . 25210 1 1214 . 1 1 99 99 VAL CA C 13 60.310 0.10 . 1 . 1104 . . 99 VAL CA . 25210 1 1215 . 1 1 99 99 VAL CB C 13 35.820 0.10 . 1 . 1107 . . 99 VAL CB . 25210 1 1216 . 1 1 99 99 VAL CG1 C 13 22.740 0.10 . 1 . 1109 . . 99 VAL CG1 . 25210 1 1217 . 1 1 99 99 VAL CG2 C 13 21.540 0.10 . 1 . 1111 . . 99 VAL CG2 . 25210 1 1218 . 1 1 99 99 VAL N N 15 127.850 0.10 . 1 . 1102 . . 99 VAL N . 25210 1 1219 . 1 1 100 100 GLU H H 1 7.948 0.01 . 1 . 1114 . . 100 GLU H . 25210 1 1220 . 1 1 100 100 GLU HA H 1 5.549 0.01 . 1 . 1116 . . 100 GLU HA . 25210 1 1221 . 1 1 100 100 GLU HB2 H 1 1.605 0.01 . 1 . 1119 . . 100 GLU HB2 . 25210 1 1222 . 1 1 100 100 GLU HB3 H 1 1.986 0.01 . 1 . 1120 . . 100 GLU HB3 . 25210 1 1223 . 1 1 100 100 GLU HG2 H 1 1.873 0.01 . 2 . 1122 . . 100 GLU HG2 . 25210 1 1224 . 1 1 100 100 GLU HG3 H 1 2.100 0.01 . 2 . 1123 . . 100 GLU HG3 . 25210 1 1225 . 1 1 100 100 GLU C C 13 175.780 0.10 . 1 . 1117 . . 100 GLU C . 25210 1 1226 . 1 1 100 100 GLU CA C 13 54.680 0.10 . 1 . 1115 . . 100 GLU CA . 25210 1 1227 . 1 1 100 100 GLU CB C 13 32.250 0.10 . 1 . 1118 . . 100 GLU CB . 25210 1 1228 . 1 1 100 100 GLU CG C 13 37.310 0.10 . 1 . 1121 . . 100 GLU CG . 25210 1 1229 . 1 1 100 100 GLU N N 15 123.410 0.10 . 1 . 1113 . . 100 GLU N . 25210 1 1230 . 1 1 101 101 LEU H H 1 9.105 0.01 . 1 . 1125 . . 101 LEU H . 25210 1 1231 . 1 1 101 101 LEU HA H 1 5.686 0.01 . 1 . 1127 . . 101 LEU HA . 25210 1 1232 . 1 1 101 101 LEU HB2 H 1 1.392 0.01 . 2 . 1130 . . 101 LEU HB2 . 25210 1 1233 . 1 1 101 101 LEU HB3 H 1 1.222 0.01 . 2 . 1131 . . 101 LEU HB3 . 25210 1 1234 . 1 1 101 101 LEU HG H 1 1.402 0.01 . 1 . 1133 . . 101 LEU HG . 25210 1 1235 . 1 1 101 101 LEU HD11 H 1 0.456 0.01 . 2 . 1135 . . 101 LEU HD11 . 25210 1 1236 . 1 1 101 101 LEU HD12 H 1 0.456 0.01 . 2 . 1135 . . 101 LEU HD12 . 25210 1 1237 . 1 1 101 101 LEU HD13 H 1 0.456 0.01 . 2 . 1135 . . 101 LEU HD13 . 25210 1 1238 . 1 1 101 101 LEU HD21 H 1 0.510 0.01 . 2 . 1137 . . 101 LEU HD21 . 25210 1 1239 . 1 1 101 101 LEU HD22 H 1 0.510 0.01 . 2 . 1137 . . 101 LEU HD22 . 25210 1 1240 . 1 1 101 101 LEU HD23 H 1 0.510 0.01 . 2 . 1137 . . 101 LEU HD23 . 25210 1 1241 . 1 1 101 101 LEU C C 13 174.990 0.10 . 1 . 1128 . . 101 LEU C . 25210 1 1242 . 1 1 101 101 LEU CA C 13 53.750 0.10 . 1 . 1126 . . 101 LEU CA . 25210 1 1243 . 1 1 101 101 LEU CB C 13 47.650 0.10 . 1 . 1129 . . 101 LEU CB . 25210 1 1244 . 1 1 101 101 LEU CG C 13 27.430 0.10 . 1 . 1132 . . 101 LEU CG . 25210 1 1245 . 1 1 101 101 LEU CD1 C 13 26.490 0.10 . 1 . 1134 . . 101 LEU CD1 . 25210 1 1246 . 1 1 101 101 LEU CD2 C 13 27.540 0.10 . 1 . 1136 . . 101 LEU CD2 . 25210 1 1247 . 1 1 101 101 LEU N N 15 122.150 0.10 . 1 . 1124 . . 101 LEU N . 25210 1 1248 . 1 1 102 102 ILE H H 1 8.537 0.01 . 1 . 1139 . . 102 ILE H . 25210 1 1249 . 1 1 102 102 ILE HA H 1 4.911 0.01 . 1 . 1141 . . 102 ILE HA . 25210 1 1250 . 1 1 102 102 ILE HB H 1 2.317 0.01 . 1 . 1144 . . 102 ILE HB . 25210 1 1251 . 1 1 102 102 ILE HG12 H 1 1.623 0.01 . 2 . 1145 . . 102 ILE HG12 . 25210 1 1252 . 1 1 102 102 ILE HG13 H 1 1.478 0.01 . 2 . 1146 . . 102 ILE HG13 . 25210 1 1253 . 1 1 102 102 ILE HG21 H 1 1.031 0.01 . 1 . 1148 . . 102 ILE HG21 . 25210 1 1254 . 1 1 102 102 ILE HG22 H 1 1.031 0.01 . 1 . 1148 . . 102 ILE HG22 . 25210 1 1255 . 1 1 102 102 ILE HG23 H 1 1.031 0.01 . 1 . 1148 . . 102 ILE HG23 . 25210 1 1256 . 1 1 102 102 ILE HD11 H 1 0.910 0.01 . 1 . 1150 . . 102 ILE HD11 . 25210 1 1257 . 1 1 102 102 ILE HD12 H 1 0.910 0.01 . 1 . 1150 . . 102 ILE HD12 . 25210 1 1258 . 1 1 102 102 ILE HD13 H 1 0.910 0.01 . 1 . 1150 . . 102 ILE HD13 . 25210 1 1259 . 1 1 102 102 ILE C C 13 175.190 0.10 . 1 . 1142 . . 102 ILE C . 25210 1 1260 . 1 1 102 102 ILE CA C 13 59.320 0.10 . 1 . 1140 . . 102 ILE CA . 25210 1 1261 . 1 1 102 102 ILE CB C 13 41.930 0.10 . 1 . 1143 . . 102 ILE CB . 25210 1 1262 . 1 1 102 102 ILE CG2 C 13 19.670 0.10 . 1 . 1147 . . 102 ILE CG2 . 25210 1 1263 . 1 1 102 102 ILE CD1 C 13 14.990 0.10 . 1 . 1149 . . 102 ILE CD1 . 25210 1 1264 . 1 1 102 102 ILE N N 15 112.290 0.10 . 1 . 1138 . . 102 ILE N . 25210 1 1265 . 1 1 103 103 HIS H H 1 9.407 0.01 . 1 . 1152 . . 103 HIS H . 25210 1 1266 . 1 1 103 103 HIS HA H 1 4.651 0.01 . 1 . 1154 . . 103 HIS HA . 25210 1 1267 . 1 1 103 103 HIS HB2 H 1 3.122 0.01 . 1 . 1157 . . 103 HIS HB2 . 25210 1 1268 . 1 1 103 103 HIS HB3 H 1 2.729 0.01 . 1 . 1158 . . 103 HIS HB3 . 25210 1 1269 . 1 1 103 103 HIS HD2 H 1 7.158 0.01 . 1 . 1160 . . 103 HIS HD2 . 25210 1 1270 . 1 1 103 103 HIS HE1 H 1 7.790 0.01 . 1 . 1161 . . 103 HIS HE1 . 25210 1 1271 . 1 1 103 103 HIS C C 13 176.170 0.10 . 1 . 1155 . . 103 HIS C . 25210 1 1272 . 1 1 103 103 HIS CA C 13 57.630 0.10 . 1 . 1153 . . 103 HIS CA . 25210 1 1273 . 1 1 103 103 HIS CB C 13 31.550 0.10 . 1 . 1156 . . 103 HIS CB . 25210 1 1274 . 1 1 103 103 HIS CD2 C 13 120.130 0.10 . 1 . 1159 . . 103 HIS CD2 . 25210 1 1275 . 1 1 103 103 HIS N N 15 120.740 0.10 . 1 . 1151 . . 103 HIS N . 25210 1 1276 . 1 1 104 104 THR H H 1 8.510 0.01 . 1 . 1163 . . 104 THR H . 25210 1 1277 . 1 1 104 104 THR HA H 1 4.400 0.01 . 1 . 1165 . . 104 THR HA . 25210 1 1278 . 1 1 104 104 THR HB H 1 4.450 0.01 . 1 . 1168 . . 104 THR HB . 25210 1 1279 . 1 1 104 104 THR HG1 H 1 5.732 0.01 . 1 . 1170 . . 104 THR HG1 . 25210 1 1280 . 1 1 104 104 THR HG21 H 1 1.098 0.01 . 1 . 1171 . . 104 THR HG21 . 25210 1 1281 . 1 1 104 104 THR HG22 H 1 1.098 0.01 . 1 . 1171 . . 104 THR HG22 . 25210 1 1282 . 1 1 104 104 THR HG23 H 1 1.098 0.01 . 1 . 1171 . . 104 THR HG23 . 25210 1 1283 . 1 1 104 104 THR C C 13 174.170 0.10 . 1 . 1166 . . 104 THR C . 25210 1 1284 . 1 1 104 104 THR CA C 13 61.110 0.10 . 1 . 1164 . . 104 THR CA . 25210 1 1285 . 1 1 104 104 THR CB C 13 71.380 0.10 . 1 . 1167 . . 104 THR CB . 25210 1 1286 . 1 1 104 104 THR CG2 C 13 20.310 0.10 . 1 . 1169 . . 104 THR CG2 . 25210 1 1287 . 1 1 104 104 THR N N 15 112.350 0.10 . 1 . 1162 . . 104 THR N . 25210 1 1288 . 1 1 105 105 ASP H H 1 8.727 0.01 . 1 . 1173 . . 105 ASP H . 25210 1 1289 . 1 1 105 105 ASP HA H 1 4.462 0.01 . 1 . 1175 . . 105 ASP HA . 25210 1 1290 . 1 1 105 105 ASP HB2 H 1 2.713 0.01 . 1 . 1178 . . 105 ASP HB2 . 25210 1 1291 . 1 1 105 105 ASP HB3 H 1 2.713 0.01 . 1 . 1179 . . 105 ASP HB3 . 25210 1 1292 . 1 1 105 105 ASP C C 13 176.810 0.10 . 1 . 1176 . . 105 ASP C . 25210 1 1293 . 1 1 105 105 ASP CA C 13 55.930 0.10 . 1 . 1174 . . 105 ASP CA . 25210 1 1294 . 1 1 105 105 ASP CB C 13 40.680 0.10 . 1 . 1177 . . 105 ASP CB . 25210 1 1295 . 1 1 105 105 ASP N N 15 117.850 0.10 . 1 . 1172 . . 105 ASP N . 25210 1 1296 . 1 1 106 106 SER H H 1 8.890 0.01 . 1 . 1181 . . 106 SER H . 25210 1 1297 . 1 1 106 106 SER HA H 1 4.416 0.01 . 1 . 1183 . . 106 SER HA . 25210 1 1298 . 1 1 106 106 SER HB2 H 1 3.734 0.01 . 2 . 1186 . . 106 SER HB2 . 25210 1 1299 . 1 1 106 106 SER HB3 H 1 3.818 0.01 . 2 . 1187 . . 106 SER HB3 . 25210 1 1300 . 1 1 106 106 SER HG H 1 5.645 0.01 . 1 . 1188 . . 106 SER HG . 25210 1 1301 . 1 1 106 106 SER C C 13 174.430 0.10 . 1 . 1184 . . 106 SER C . 25210 1 1302 . 1 1 106 106 SER CA C 13 56.930 0.10 . 1 . 1182 . . 106 SER CA . 25210 1 1303 . 1 1 106 106 SER CB C 13 63.270 0.10 . 1 . 1185 . . 106 SER CB . 25210 1 1304 . 1 1 106 106 SER N N 15 115.080 0.10 . 1 . 1180 . . 106 SER N . 25210 1 1305 . 1 1 107 107 LEU H H 1 8.027 0.01 . 1 . 1190 . . 107 LEU H . 25210 1 1306 . 1 1 107 107 LEU HA H 1 4.567 0.01 . 1 . 1192 . . 107 LEU HA . 25210 1 1307 . 1 1 107 107 LEU HB2 H 1 1.560 0.01 . 1 . 1195 . . 107 LEU HB2 . 25210 1 1308 . 1 1 107 107 LEU HB3 H 1 1.560 0.01 . 1 . 1196 . . 107 LEU HB3 . 25210 1 1309 . 1 1 107 107 LEU HG H 1 1.639 0.01 . 1 . 1197 . . 107 LEU HG . 25210 1 1310 . 1 1 107 107 LEU HD11 H 1 0.733 0.01 . 2 . 1199 . . 107 LEU HD11 . 25210 1 1311 . 1 1 107 107 LEU HD12 H 1 0.733 0.01 . 2 . 1199 . . 107 LEU HD12 . 25210 1 1312 . 1 1 107 107 LEU HD13 H 1 0.733 0.01 . 2 . 1199 . . 107 LEU HD13 . 25210 1 1313 . 1 1 107 107 LEU HD21 H 1 0.784 0.01 . 2 . 1201 . . 107 LEU HD21 . 25210 1 1314 . 1 1 107 107 LEU HD22 H 1 0.784 0.01 . 2 . 1201 . . 107 LEU HD22 . 25210 1 1315 . 1 1 107 107 LEU HD23 H 1 0.784 0.01 . 2 . 1201 . . 107 LEU HD23 . 25210 1 1316 . 1 1 107 107 LEU C C 13 174.380 0.10 . 1 . 1193 . . 107 LEU C . 25210 1 1317 . 1 1 107 107 LEU CA C 13 53.440 0.10 . 1 . 1191 . . 107 LEU CA . 25210 1 1318 . 1 1 107 107 LEU CB C 13 42.930 0.10 . 1 . 1194 . . 107 LEU CB . 25210 1 1319 . 1 1 107 107 LEU CD1 C 13 25.370 0.10 . 1 . 1198 . . 107 LEU CD1 . 25210 1 1320 . 1 1 107 107 LEU CD2 C 13 27.620 0.10 . 1 . 1200 . . 107 LEU CD2 . 25210 1 1321 . 1 1 107 107 LEU N N 15 126.350 0.10 . 1 . 1189 . . 107 LEU N . 25210 1 1322 . 1 1 108 108 PRO HA H 1 4.831 0.01 . 1 . 1202 . . 108 PRO HA . 25210 1 1323 . 1 1 108 108 PRO HB2 H 1 1.932 0.01 . 2 . 1205 . . 108 PRO HB2 . 25210 1 1324 . 1 1 108 108 PRO HB3 H 1 1.647 0.01 . 2 . 1206 . . 108 PRO HB3 . 25210 1 1325 . 1 1 108 108 PRO HG2 H 1 1.900 0.01 . 2 . 1208 . . 108 PRO HG2 . 25210 1 1326 . 1 1 108 108 PRO HG3 H 1 2.105 0.01 . 2 . 1209 . . 108 PRO HG3 . 25210 1 1327 . 1 1 108 108 PRO HD2 H 1 3.999 0.01 . 1 . 1211 . . 108 PRO HD2 . 25210 1 1328 . 1 1 108 108 PRO HD3 H 1 3.999 0.01 . 1 . 1212 . . 108 PRO HD3 . 25210 1 1329 . 1 1 108 108 PRO C C 13 174.070 0.10 . 1 . 1203 . . 108 PRO C . 25210 1 1330 . 1 1 108 108 PRO CB C 13 32.350 0.10 . 1 . 1204 . . 108 PRO CB . 25210 1 1331 . 1 1 108 108 PRO CG C 13 27.420 0.10 . 1 . 1207 . . 108 PRO CG . 25210 1 1332 . 1 1 108 108 PRO CD C 13 50.340 0.10 . 1 . 1210 . . 108 PRO CD . 25210 1 1333 . 1 1 109 109 LEU H H 1 9.007 0.01 . 1 . 1214 . . 109 LEU H . 25210 1 1334 . 1 1 109 109 LEU HA H 1 4.855 0.01 . 1 . 1216 . . 109 LEU HA . 25210 1 1335 . 1 1 109 109 LEU HB2 H 1 1.690 0.01 . 1 . 1219 . . 109 LEU HB2 . 25210 1 1336 . 1 1 109 109 LEU HB3 H 1 1.285 0.01 . 1 . 1220 . . 109 LEU HB3 . 25210 1 1337 . 1 1 109 109 LEU HG H 1 1.368 0.01 . 1 . 1222 . . 109 LEU HG . 25210 1 1338 . 1 1 109 109 LEU HD11 H 1 0.951 0.01 . 2 . 1224 . . 109 LEU HD11 . 25210 1 1339 . 1 1 109 109 LEU HD12 H 1 0.951 0.01 . 2 . 1224 . . 109 LEU HD12 . 25210 1 1340 . 1 1 109 109 LEU HD13 H 1 0.951 0.01 . 2 . 1224 . . 109 LEU HD13 . 25210 1 1341 . 1 1 109 109 LEU HD21 H 1 0.781 0.01 . 2 . 1226 . . 109 LEU HD21 . 25210 1 1342 . 1 1 109 109 LEU HD22 H 1 0.781 0.01 . 2 . 1226 . . 109 LEU HD22 . 25210 1 1343 . 1 1 109 109 LEU HD23 H 1 0.781 0.01 . 2 . 1226 . . 109 LEU HD23 . 25210 1 1344 . 1 1 109 109 LEU C C 13 175.640 0.10 . 1 . 1217 . . 109 LEU C . 25210 1 1345 . 1 1 109 109 LEU CA C 13 53.580 0.10 . 1 . 1215 . . 109 LEU CA . 25210 1 1346 . 1 1 109 109 LEU CB C 13 45.820 0.10 . 1 . 1218 . . 109 LEU CB . 25210 1 1347 . 1 1 109 109 LEU CG C 13 27.540 0.10 . 1 . 1221 . . 109 LEU CG . 25210 1 1348 . 1 1 109 109 LEU CD1 C 13 25.290 0.10 . 1 . 1223 . . 109 LEU CD1 . 25210 1 1349 . 1 1 109 109 LEU CD2 C 13 23.490 0.10 . 1 . 1225 . . 109 LEU CD2 . 25210 1 1350 . 1 1 109 109 LEU N N 15 124.690 0.10 . 1 . 1213 . . 109 LEU N . 25210 1 1351 . 1 1 110 110 VAL H H 1 8.353 0.01 . 1 . 1228 . . 110 VAL H . 25210 1 1352 . 1 1 110 110 VAL HA H 1 4.273 0.01 . 1 . 1230 . . 110 VAL HA . 25210 1 1353 . 1 1 110 110 VAL HB H 1 2.287 0.01 . 1 . 1233 . . 110 VAL HB . 25210 1 1354 . 1 1 110 110 VAL HG11 H 1 1.086 0.01 . 2 . 1235 . . 110 VAL HG11 . 25210 1 1355 . 1 1 110 110 VAL HG12 H 1 1.086 0.01 . 2 . 1235 . . 110 VAL HG12 . 25210 1 1356 . 1 1 110 110 VAL HG13 H 1 1.086 0.01 . 2 . 1235 . . 110 VAL HG13 . 25210 1 1357 . 1 1 110 110 VAL HG21 H 1 0.726 0.01 . 2 . 1237 . . 110 VAL HG21 . 25210 1 1358 . 1 1 110 110 VAL HG22 H 1 0.726 0.01 . 2 . 1237 . . 110 VAL HG22 . 25210 1 1359 . 1 1 110 110 VAL HG23 H 1 0.726 0.01 . 2 . 1237 . . 110 VAL HG23 . 25210 1 1360 . 1 1 110 110 VAL C C 13 173.890 0.10 . 1 . 1231 . . 110 VAL C . 25210 1 1361 . 1 1 110 110 VAL CA C 13 63.050 0.10 . 1 . 1229 . . 110 VAL CA . 25210 1 1362 . 1 1 110 110 VAL CB C 13 32.110 0.10 . 1 . 1232 . . 110 VAL CB . 25210 1 1363 . 1 1 110 110 VAL CG1 C 13 22.440 0.10 . 1 . 1234 . . 110 VAL CG1 . 25210 1 1364 . 1 1 110 110 VAL CG2 C 13 21.180 0.10 . 1 . 1236 . . 110 VAL CG2 . 25210 1 1365 . 1 1 110 110 VAL N N 15 127.340 0.10 . 1 . 1227 . . 110 VAL N . 25210 1 1366 . 1 1 111 111 ILE H H 1 8.431 0.01 . 1 . 1239 . . 111 ILE H . 25210 1 1367 . 1 1 111 111 ILE HA H 1 4.680 0.01 . 1 . 1241 . . 111 ILE HA . 25210 1 1368 . 1 1 111 111 ILE HB H 1 2.005 0.01 . 1 . 1244 . . 111 ILE HB . 25210 1 1369 . 1 1 111 111 ILE HG12 H 1 1.248 0.01 . 2 . 1246 . . 111 ILE HG12 . 25210 1 1370 . 1 1 111 111 ILE HG13 H 1 0.621 0.01 . 2 . 1247 . . 111 ILE HG13 . 25210 1 1371 . 1 1 111 111 ILE HG21 H 1 0.847 0.01 . 1 . 1249 . . 111 ILE HG21 . 25210 1 1372 . 1 1 111 111 ILE HG22 H 1 0.847 0.01 . 1 . 1249 . . 111 ILE HG22 . 25210 1 1373 . 1 1 111 111 ILE HG23 H 1 0.847 0.01 . 1 . 1249 . . 111 ILE HG23 . 25210 1 1374 . 1 1 111 111 ILE HD11 H 1 0.682 0.01 . 1 . 1251 . . 111 ILE HD11 . 25210 1 1375 . 1 1 111 111 ILE HD12 H 1 0.682 0.01 . 1 . 1251 . . 111 ILE HD12 . 25210 1 1376 . 1 1 111 111 ILE HD13 H 1 0.682 0.01 . 1 . 1251 . . 111 ILE HD13 . 25210 1 1377 . 1 1 111 111 ILE C C 13 176.580 0.10 . 1 . 1242 . . 111 ILE C . 25210 1 1378 . 1 1 111 111 ILE CA C 13 60.900 0.10 . 1 . 1240 . . 111 ILE CA . 25210 1 1379 . 1 1 111 111 ILE CB C 13 39.370 0.10 . 1 . 1243 . . 111 ILE CB . 25210 1 1380 . 1 1 111 111 ILE CG1 C 13 26.760 0.10 . 1 . 1245 . . 111 ILE CG1 . 25210 1 1381 . 1 1 111 111 ILE CG2 C 13 19.160 0.10 . 1 . 1248 . . 111 ILE CG2 . 25210 1 1382 . 1 1 111 111 ILE CD1 C 13 15.160 0.10 . 1 . 1250 . . 111 ILE CD1 . 25210 1 1383 . 1 1 111 111 ILE N N 15 116.270 0.10 . 1 . 1238 . . 111 ILE N . 25210 1 1384 . 1 1 112 112 SER H H 1 7.790 0.01 . 1 . 1253 . . 112 SER H . 25210 1 1385 . 1 1 112 112 SER HA H 1 4.855 0.01 . 1 . 1255 . . 112 SER HA . 25210 1 1386 . 1 1 112 112 SER HB2 H 1 3.606 0.01 . 2 . 1258 . . 112 SER HB2 . 25210 1 1387 . 1 1 112 112 SER HB3 H 1 3.664 0.01 . 2 . 1259 . . 112 SER HB3 . 25210 1 1388 . 1 1 112 112 SER C C 13 171.820 0.10 . 1 . 1256 . . 112 SER C . 25210 1 1389 . 1 1 112 112 SER CA C 13 57.900 0.10 . 1 . 1254 . . 112 SER CA . 25210 1 1390 . 1 1 112 112 SER CB C 13 64.780 0.10 . 1 . 1257 . . 112 SER CB . 25210 1 1391 . 1 1 112 112 SER N N 15 115.820 0.10 . 1 . 1252 . . 112 SER N . 25210 1 1392 . 1 1 113 113 LEU H H 1 7.323 0.01 . 1 . 1261 . . 113 LEU H . 25210 1 1393 . 1 1 113 113 LEU HA H 1 4.853 0.01 . 1 . 1263 . . 113 LEU HA . 25210 1 1394 . 1 1 113 113 LEU HB2 H 1 1.019 0.01 . 1 . 1266 . . 113 LEU HB2 . 25210 1 1395 . 1 1 113 113 LEU HB3 H 1 1.121 0.01 . 1 . 1267 . . 113 LEU HB3 . 25210 1 1396 . 1 1 113 113 LEU HG H 1 1.172 0.01 . 1 . 1269 . . 113 LEU HG . 25210 1 1397 . 1 1 113 113 LEU HD11 H 1 0.661 0.01 . 2 . 1271 . . 113 LEU HD11 . 25210 1 1398 . 1 1 113 113 LEU HD12 H 1 0.661 0.01 . 2 . 1271 . . 113 LEU HD12 . 25210 1 1399 . 1 1 113 113 LEU HD13 H 1 0.661 0.01 . 2 . 1271 . . 113 LEU HD13 . 25210 1 1400 . 1 1 113 113 LEU HD21 H 1 0.762 0.01 . 2 . 1273 . . 113 LEU HD21 . 25210 1 1401 . 1 1 113 113 LEU HD22 H 1 0.762 0.01 . 2 . 1273 . . 113 LEU HD22 . 25210 1 1402 . 1 1 113 113 LEU HD23 H 1 0.762 0.01 . 2 . 1273 . . 113 LEU HD23 . 25210 1 1403 . 1 1 113 113 LEU C C 13 175.560 0.10 . 1 . 1264 . . 113 LEU C . 25210 1 1404 . 1 1 113 113 LEU CA C 13 53.500 0.10 . 1 . 1262 . . 113 LEU CA . 25210 1 1405 . 1 1 113 113 LEU CB C 13 45.340 0.10 . 1 . 1265 . . 113 LEU CB . 25210 1 1406 . 1 1 113 113 LEU CG C 13 28.100 0.10 . 1 . 1268 . . 113 LEU CG . 25210 1 1407 . 1 1 113 113 LEU CD1 C 13 28.260 0.10 . 1 . 1270 . . 113 LEU CD1 . 25210 1 1408 . 1 1 113 113 LEU CD2 C 13 28.260 0.10 . 1 . 1272 . . 113 LEU CD2 . 25210 1 1409 . 1 1 113 113 LEU N N 15 121.290 0.10 . 1 . 1260 . . 113 LEU N . 25210 1 1410 . 1 1 114 114 ASN H H 1 9.342 0.01 . 1 . 1275 . . 114 ASN H . 25210 1 1411 . 1 1 114 114 ASN HA H 1 4.478 0.01 . 1 . 1277 . . 114 ASN HA . 25210 1 1412 . 1 1 114 114 ASN HB2 H 1 3.023 0.01 . 2 . 1280 . . 114 ASN HB2 . 25210 1 1413 . 1 1 114 114 ASN HB3 H 1 2.602 0.01 . 2 . 1281 . . 114 ASN HB3 . 25210 1 1414 . 1 1 114 114 ASN HD21 H 1 7.323 0.01 . 1 . 1282 . . 114 ASN HD21 . 25210 1 1415 . 1 1 114 114 ASN HD22 H 1 8.238 0.01 . 1 . 1283 . . 114 ASN HD22 . 25210 1 1416 . 1 1 114 114 ASN C C 13 174.430 0.10 . 1 . 1278 . . 114 ASN C . 25210 1 1417 . 1 1 114 114 ASN CA C 13 54.750 0.10 . 1 . 1276 . . 114 ASN CA . 25210 1 1418 . 1 1 114 114 ASN CB C 13 37.680 0.10 . 1 . 1279 . . 114 ASN CB . 25210 1 1419 . 1 1 114 114 ASN N N 15 125.540 0.10 . 1 . 1274 . . 114 ASN N . 25210 1 1420 . 1 1 115 115 GLY H H 1 8.481 0.01 . 1 . 1285 . . 115 GLY H . 25210 1 1421 . 1 1 115 115 GLY HA2 H 1 3.248 0.01 . 2 . 1287 . . 115 GLY HA2 . 25210 1 1422 . 1 1 115 115 GLY HA3 H 1 3.848 0.01 . 2 . 1288 . . 115 GLY HA3 . 25210 1 1423 . 1 1 115 115 GLY C C 13 173.850 0.10 . 1 . 1289 . . 115 GLY C . 25210 1 1424 . 1 1 115 115 GLY CA C 13 44.800 0.10 . 1 . 1286 . . 115 GLY CA . 25210 1 1425 . 1 1 115 115 GLY N N 15 127.260 0.10 . 1 . 1284 . . 115 GLY N . 25210 1 1426 . 1 1 116 116 HIS H H 1 7.575 0.01 . 1 . 1291 . . 116 HIS H . 25210 1 1427 . 1 1 116 116 HIS HA H 1 4.453 0.01 . 1 . 1293 . . 116 HIS HA . 25210 1 1428 . 1 1 116 116 HIS HB2 H 1 2.378 0.01 . 1 . 1296 . . 116 HIS HB2 . 25210 1 1429 . 1 1 116 116 HIS HB3 H 1 2.039 0.01 . 1 . 1297 . . 116 HIS HB3 . 25210 1 1430 . 1 1 116 116 HIS HD2 H 1 6.445 0.01 . 1 . 1298 . . 116 HIS HD2 . 25210 1 1431 . 1 1 116 116 HIS HE1 H 1 7.935 0.01 . 1 . 1300 . . 116 HIS HE1 . 25210 1 1432 . 1 1 116 116 HIS C C 13 173.780 0.10 . 1 . 1294 . . 116 HIS C . 25210 1 1433 . 1 1 116 116 HIS CA C 13 55.210 0.10 . 1 . 1292 . . 116 HIS CA . 25210 1 1434 . 1 1 116 116 HIS CB C 13 27.340 0.10 . 1 . 1295 . . 116 HIS CB . 25210 1 1435 . 1 1 116 116 HIS CE1 C 13 134.880 0.10 . 1 . 1299 . . 116 HIS CE1 . 25210 1 1436 . 1 1 116 116 HIS N N 15 120.330 0.10 . 1 . 1290 . . 116 HIS N . 25210 1 1437 . 1 1 117 117 THR H H 1 8.047 0.01 . 1 . 1302 . . 117 THR H . 25210 1 1438 . 1 1 117 117 THR HA H 1 5.052 0.01 . 1 . 1304 . . 117 THR HA . 25210 1 1439 . 1 1 117 117 THR HB H 1 4.635 0.01 . 1 . 1307 . . 117 THR HB . 25210 1 1440 . 1 1 117 117 THR HG21 H 1 1.025 0.01 . 1 . 1309 . . 117 THR HG21 . 25210 1 1441 . 1 1 117 117 THR HG22 H 1 1.025 0.01 . 1 . 1309 . . 117 THR HG22 . 25210 1 1442 . 1 1 117 117 THR HG23 H 1 1.025 0.01 . 1 . 1309 . . 117 THR HG23 . 25210 1 1443 . 1 1 117 117 THR C C 13 175.790 0.10 . 1 . 1305 . . 117 THR C . 25210 1 1444 . 1 1 117 117 THR CA C 13 60.130 0.10 . 1 . 1303 . . 117 THR CA . 25210 1 1445 . 1 1 117 117 THR CB C 13 71.750 0.10 . 1 . 1306 . . 117 THR CB . 25210 1 1446 . 1 1 117 117 THR CG2 C 13 21.190 0.10 . 1 . 1308 . . 117 THR CG2 . 25210 1 1447 . 1 1 117 117 THR N N 15 111.200 0.10 . 1 . 1301 . . 117 THR N . 25210 1 1448 . 1 1 118 118 LEU H H 1 8.753 0.01 . 1 . 1311 . . 118 LEU H . 25210 1 1449 . 1 1 118 118 LEU HA H 1 4.492 0.01 . 1 . 1313 . . 118 LEU HA . 25210 1 1450 . 1 1 118 118 LEU HB2 H 1 1.564 0.01 . 1 . 1316 . . 118 LEU HB2 . 25210 1 1451 . 1 1 118 118 LEU HB3 H 1 1.904 0.01 . 1 . 1317 . . 118 LEU HB3 . 25210 1 1452 . 1 1 118 118 LEU HG H 1 2.006 0.01 . 1 . 1319 . . 118 LEU HG . 25210 1 1453 . 1 1 118 118 LEU HD11 H 1 0.787 0.01 . 2 . 1321 . . 118 LEU HD11 . 25210 1 1454 . 1 1 118 118 LEU HD12 H 1 0.787 0.01 . 2 . 1321 . . 118 LEU HD12 . 25210 1 1455 . 1 1 118 118 LEU HD13 H 1 0.787 0.01 . 2 . 1321 . . 118 LEU HD13 . 25210 1 1456 . 1 1 118 118 LEU HD21 H 1 0.476 0.01 . 2 . 1323 . . 118 LEU HD21 . 25210 1 1457 . 1 1 118 118 LEU HD22 H 1 0.476 0.01 . 2 . 1323 . . 118 LEU HD22 . 25210 1 1458 . 1 1 118 118 LEU HD23 H 1 0.476 0.01 . 2 . 1323 . . 118 LEU HD23 . 25210 1 1459 . 1 1 118 118 LEU C C 13 177.500 0.10 . 1 . 1314 . . 118 LEU C . 25210 1 1460 . 1 1 118 118 LEU CA C 13 56.530 0.10 . 1 . 1312 . . 118 LEU CA . 25210 1 1461 . 1 1 118 118 LEU CB C 13 42.380 0.10 . 1 . 1315 . . 118 LEU CB . 25210 1 1462 . 1 1 118 118 LEU CG C 13 25.950 0.10 . 1 . 1318 . . 118 LEU CG . 25210 1 1463 . 1 1 118 118 LEU CD1 C 13 22.480 0.10 . 1 . 1320 . . 118 LEU CD1 . 25210 1 1464 . 1 1 118 118 LEU CD2 C 13 22.480 0.10 . 1 . 1322 . . 118 LEU CD2 . 25210 1 1465 . 1 1 118 118 LEU N N 15 121.040 0.10 . 1 . 1310 . . 118 LEU N . 25210 1 1466 . 1 1 119 119 GLN H H 1 8.282 0.01 . 1 . 1325 . . 119 GLN H . 25210 1 1467 . 1 1 119 119 GLN HA H 1 4.342 0.01 . 1 . 1327 . . 119 GLN HA . 25210 1 1468 . 1 1 119 119 GLN HB2 H 1 2.133 0.01 . 2 . 1330 . . 119 GLN HB2 . 25210 1 1469 . 1 1 119 119 GLN HB3 H 1 1.937 0.01 . 2 . 1331 . . 119 GLN HB3 . 25210 1 1470 . 1 1 119 119 GLN HG2 H 1 2.261 0.01 . 1 . 1333 . . 119 GLN HG2 . 25210 1 1471 . 1 1 119 119 GLN HG3 H 1 2.261 0.01 . 1 . 1334 . . 119 GLN HG3 . 25210 1 1472 . 1 1 119 119 GLN HE21 H 1 6.787 0.01 . 1 . 1335 . . 119 GLN HE21 . 25210 1 1473 . 1 1 119 119 GLN HE22 H 1 7.485 0.01 . 1 . 1336 . . 119 GLN HE22 . 25210 1 1474 . 1 1 119 119 GLN C C 13 175.090 0.10 . 1 . 1328 . . 119 GLN C . 25210 1 1475 . 1 1 119 119 GLN CA C 13 56.030 0.10 . 1 . 1326 . . 119 GLN CA . 25210 1 1476 . 1 1 119 119 GLN CB C 13 29.970 0.10 . 1 . 1329 . . 119 GLN CB . 25210 1 1477 . 1 1 119 119 GLN CG C 13 34.450 0.10 . 1 . 1332 . . 119 GLN CG . 25210 1 1478 . 1 1 119 119 GLN N N 15 117.740 0.10 . 1 . 1324 . . 119 GLN N . 25210 1 1479 . 1 1 120 120 GLU H H 1 7.622 0.01 . 1 . 1338 . . 120 GLU H . 25210 1 1480 . 1 1 120 120 GLU HA H 1 4.043 0.01 . 1 . 1340 . . 120 GLU HA . 25210 1 1481 . 1 1 120 120 GLU HB2 H 1 2.041 0.01 . 2 . 1343 . . 120 GLU HB2 . 25210 1 1482 . 1 1 120 120 GLU HB3 H 1 2.100 0.01 . 2 . 1344 . . 120 GLU HB3 . 25210 1 1483 . 1 1 120 120 GLU HG2 H 1 2.272 0.01 . 2 . 1345 . . 120 GLU HG2 . 25210 1 1484 . 1 1 120 120 GLU HG3 H 1 2.457 0.01 . 2 . 1346 . . 120 GLU HG3 . 25210 1 1485 . 1 1 120 120 GLU C C 13 181.080 0.10 . 1 . 1341 . . 120 GLU C . 25210 1 1486 . 1 1 120 120 GLU CA C 13 58.490 0.10 . 1 . 1339 . . 120 GLU CA . 25210 1 1487 . 1 1 120 120 GLU CB C 13 30.720 0.10 . 1 . 1342 . . 120 GLU CB . 25210 1 1488 . 1 1 120 120 GLU N N 15 126.750 0.10 . 1 . 1337 . . 120 GLU N . 25210 1 stop_ save_