data_30606 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30606 _Entry.Title ; SOLUTION STRUCTURE OF THE COMPLEX OF MUTANT VEK50[RH2/AA] AND PLASMINOGEN KRINGLE 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-04-26 _Entry.Accession_date 2019-04-26 _Entry.Last_release_date 2019-05-03 _Entry.Original_release_date 2019-05-03 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30606 stop_ 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.ORCID _Entry_author.Entry_ID 1 Y. Yuan Y. . . . 30606 2 F. Castellino F. J. . . 30606 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PROTEIN BINDING' . 30606 'Plasminogen binding peptide' . 30606 'blood clotting' . 30606 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30606 spectral_peak_list 2 30606 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 579 30606 '15N chemical shifts' 145 30606 '1H chemical shifts' 878 30606 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 . . 2019-07-18 . original BMRB . 30606 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6OQK . 30606 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30606 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structural model of the complex of the binding regions of human plasminogen with its M-protein receptor from Streptococcal pyogenes ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Y. Yuan Y. . . . 30606 1 2 V. Ploplis V. A. . . 30606 1 3 S. Lee S. W. . . 30606 1 4 F. Castellino F. J. . . 30606 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30606 _Assembly.ID 1 _Assembly.Name 'M protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30606 1 2 entity_2 2 $entity_2 B B yes . . . . . . 30606 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 8 8 SG . 1 . 1 CYS 85 85 SG . . . . . . . . . . . . 30606 1 2 disulfide single . 1 . 1 CYS 29 29 SG . 1 . 1 CYS 68 68 SG . . . . . . . . . . . . 30606 1 3 disulfide single . 1 . 1 CYS 57 57 SG . 1 . 1 CYS 80 80 SG . . . . . . . . . . . . 30606 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30606 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; YVEFSEECMHGSGENYDGKI SKTMSGLECQAWDSQSPHAH GYIPSKFPNKNLKKNYCRNP DRDLRPWCFTTDPNKRWEYC DIPRCAA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10166.340 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . TYR . 30606 1 2 . VAL . 30606 1 3 . GLU . 30606 1 4 . PHE . 30606 1 5 . SER . 30606 1 6 . GLU . 30606 1 7 . GLU . 30606 1 8 . CYS . 30606 1 9 . MET . 30606 1 10 . HIS . 30606 1 11 . GLY . 30606 1 12 . SER . 30606 1 13 . GLY . 30606 1 14 . GLU . 30606 1 15 . ASN . 30606 1 16 . TYR . 30606 1 17 . ASP . 30606 1 18 . GLY . 30606 1 19 . LYS . 30606 1 20 . ILE . 30606 1 21 . SER . 30606 1 22 . LYS . 30606 1 23 . THR . 30606 1 24 . MET . 30606 1 25 . SER . 30606 1 26 . GLY . 30606 1 27 . LEU . 30606 1 28 . GLU . 30606 1 29 . CYS . 30606 1 30 . GLN . 30606 1 31 . ALA . 30606 1 32 . TRP . 30606 1 33 . ASP . 30606 1 34 . SER . 30606 1 35 . GLN . 30606 1 36 . SER . 30606 1 37 . PRO . 30606 1 38 . HIS . 30606 1 39 . ALA . 30606 1 40 . HIS . 30606 1 41 . GLY . 30606 1 42 . TYR . 30606 1 43 . ILE . 30606 1 44 . PRO . 30606 1 45 . SER . 30606 1 46 . LYS . 30606 1 47 . PHE . 30606 1 48 . PRO . 30606 1 49 . ASN . 30606 1 50 . LYS . 30606 1 51 . ASN . 30606 1 52 . LEU . 30606 1 53 . LYS . 30606 1 54 . LYS . 30606 1 55 . ASN . 30606 1 56 . TYR . 30606 1 57 . CYS . 30606 1 58 . ARG . 30606 1 59 . ASN . 30606 1 60 . PRO . 30606 1 61 . ASP . 30606 1 62 . ARG . 30606 1 63 . ASP . 30606 1 64 . LEU . 30606 1 65 . ARG . 30606 1 66 . PRO . 30606 1 67 . TRP . 30606 1 68 . CYS . 30606 1 69 . PHE . 30606 1 70 . THR . 30606 1 71 . THR . 30606 1 72 . ASP . 30606 1 73 . PRO . 30606 1 74 . ASN . 30606 1 75 . LYS . 30606 1 76 . ARG . 30606 1 77 . TRP . 30606 1 78 . GLU . 30606 1 79 . TYR . 30606 1 80 . CYS . 30606 1 81 . ASP . 30606 1 82 . ILE . 30606 1 83 . PRO . 30606 1 84 . ARG . 30606 1 85 . CYS . 30606 1 86 . ALA . 30606 1 87 . ALA . 30606 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 . TYR 1 1 30606 1 . VAL 2 2 30606 1 . GLU 3 3 30606 1 . PHE 4 4 30606 1 . SER 5 5 30606 1 . GLU 6 6 30606 1 . GLU 7 7 30606 1 . CYS 8 8 30606 1 . MET 9 9 30606 1 . HIS 10 10 30606 1 . GLY 11 11 30606 1 . SER 12 12 30606 1 . GLY 13 13 30606 1 . GLU 14 14 30606 1 . ASN 15 15 30606 1 . TYR 16 16 30606 1 . ASP 17 17 30606 1 . GLY 18 18 30606 1 . LYS 19 19 30606 1 . ILE 20 20 30606 1 . SER 21 21 30606 1 . LYS 22 22 30606 1 . THR 23 23 30606 1 . MET 24 24 30606 1 . SER 25 25 30606 1 . GLY 26 26 30606 1 . LEU 27 27 30606 1 . GLU 28 28 30606 1 . CYS 29 29 30606 1 . GLN 30 30 30606 1 . ALA 31 31 30606 1 . TRP 32 32 30606 1 . ASP 33 33 30606 1 . SER 34 34 30606 1 . GLN 35 35 30606 1 . SER 36 36 30606 1 . PRO 37 37 30606 1 . HIS 38 38 30606 1 . ALA 39 39 30606 1 . HIS 40 40 30606 1 . GLY 41 41 30606 1 . TYR 42 42 30606 1 . ILE 43 43 30606 1 . PRO 44 44 30606 1 . SER 45 45 30606 1 . LYS 46 46 30606 1 . PHE 47 47 30606 1 . PRO 48 48 30606 1 . ASN 49 49 30606 1 . LYS 50 50 30606 1 . ASN 51 51 30606 1 . LEU 52 52 30606 1 . LYS 53 53 30606 1 . LYS 54 54 30606 1 . ASN 55 55 30606 1 . TYR 56 56 30606 1 . CYS 57 57 30606 1 . ARG 58 58 30606 1 . ASN 59 59 30606 1 . PRO 60 60 30606 1 . ASP 61 61 30606 1 . ARG 62 62 30606 1 . ASP 63 63 30606 1 . LEU 64 64 30606 1 . ARG 65 65 30606 1 . PRO 66 66 30606 1 . TRP 67 67 30606 1 . CYS 68 68 30606 1 . PHE 69 69 30606 1 . THR 70 70 30606 1 . THR 71 71 30606 1 . ASP 72 72 30606 1 . PRO 73 73 30606 1 . ASN 74 74 30606 1 . LYS 75 75 30606 1 . ARG 76 76 30606 1 . TRP 77 77 30606 1 . GLU 78 78 30606 1 . TYR 79 79 30606 1 . CYS 80 80 30606 1 . ASP 81 81 30606 1 . ILE 82 82 30606 1 . PRO 83 83 30606 1 . ARG 84 84 30606 1 . CYS 85 85 30606 1 . ALA 86 86 30606 1 . ALA 87 87 30606 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 30606 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSVEKLTADAELQRLKNERH EEAELERLKSEAADHDKKEA ERKALEDKLADY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 52 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation 'R32A, H33A' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6020.605 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . GLY . 30606 2 2 . SER . 30606 2 3 . VAL . 30606 2 4 . GLU . 30606 2 5 . LYS . 30606 2 6 . LEU . 30606 2 7 . THR . 30606 2 8 . ALA . 30606 2 9 . ASP . 30606 2 10 . ALA . 30606 2 11 . GLU . 30606 2 12 . LEU . 30606 2 13 . GLN . 30606 2 14 . ARG . 30606 2 15 . LEU . 30606 2 16 . LYS . 30606 2 17 . ASN . 30606 2 18 . GLU . 30606 2 19 . ARG . 30606 2 20 . HIS . 30606 2 21 . GLU . 30606 2 22 . GLU . 30606 2 23 . ALA . 30606 2 24 . GLU . 30606 2 25 . LEU . 30606 2 26 . GLU . 30606 2 27 . ARG . 30606 2 28 . LEU . 30606 2 29 . LYS . 30606 2 30 . SER . 30606 2 31 . GLU . 30606 2 32 . ALA . 30606 2 33 . ALA . 30606 2 34 . ASP . 30606 2 35 . HIS . 30606 2 36 . ASP . 30606 2 37 . LYS . 30606 2 38 . LYS . 30606 2 39 . GLU . 30606 2 40 . ALA . 30606 2 41 . GLU . 30606 2 42 . ARG . 30606 2 43 . LYS . 30606 2 44 . ALA . 30606 2 45 . LEU . 30606 2 46 . GLU . 30606 2 47 . ASP . 30606 2 48 . LYS . 30606 2 49 . LEU . 30606 2 50 . ALA . 30606 2 51 . ASP . 30606 2 52 . TYR . 30606 2 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 . GLY 1 1 30606 2 . SER 2 2 30606 2 . VAL 3 3 30606 2 . GLU 4 4 30606 2 . LYS 5 5 30606 2 . LEU 6 6 30606 2 . THR 7 7 30606 2 . ALA 8 8 30606 2 . ASP 9 9 30606 2 . ALA 10 10 30606 2 . GLU 11 11 30606 2 . LEU 12 12 30606 2 . GLN 13 13 30606 2 . ARG 14 14 30606 2 . LEU 15 15 30606 2 . LYS 16 16 30606 2 . ASN 17 17 30606 2 . GLU 18 18 30606 2 . ARG 19 19 30606 2 . HIS 20 20 30606 2 . GLU 21 21 30606 2 . GLU 22 22 30606 2 . ALA 23 23 30606 2 . GLU 24 24 30606 2 . LEU 25 25 30606 2 . GLU 26 26 30606 2 . ARG 27 27 30606 2 . LEU 28 28 30606 2 . LYS 29 29 30606 2 . SER 30 30 30606 2 . GLU 31 31 30606 2 . ALA 32 32 30606 2 . ALA 33 33 30606 2 . ASP 34 34 30606 2 . HIS 35 35 30606 2 . ASP 36 36 30606 2 . LYS 37 37 30606 2 . LYS 38 38 30606 2 . GLU 39 39 30606 2 . ALA 40 40 30606 2 . GLU 41 41 30606 2 . ARG 42 42 30606 2 . LYS 43 43 30606 2 . ALA 44 44 30606 2 . LEU 45 45 30606 2 . GLU 46 46 30606 2 . ASP 47 47 30606 2 . LYS 48 48 30606 2 . LEU 49 49 30606 2 . ALA 50 50 30606 2 . ASP 51 51 30606 2 . TYR 52 52 30606 2 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 30606 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 30606 1 2 2 $entity_2 . 1314 organism . 'Streptococcus pyogenes' 'Streptococcus pyogenes' . . Bacteria . Streptococcus pyogenes . . . . . . . . . . . 'pam, emm' . 30606 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 30606 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Komagataella pastoris' . . 4922 Komagataella pastoris . . . . . . . . . . 30606 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . plasmid . . pET15b . . . 30606 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30606 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.0 mM [U-99% 13C; U-99% 15N] plasminogen Kringle 2, 1.0 mM VEK50[RH2/AA], 20 mM [U-2H] Bis-Tris-d19, 2 ug/mL DSS, 2 ug/mL sodium azide, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'plasminogen Kringle 2' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1.0 . . mM 0.1 . . . 30606 1 2 VEK50[RH2/AA] 'natural abundance' . . 2 $entity_2 . . 1.0 . . mM 0.1 . . . 30606 1 3 Bis-Tris-d19 [U-2H] . . . . . . 20 . . mM . . . . 30606 1 4 DSS 'natural abundance' . . . . . . 2 . . ug/mL . . . . 30606 1 5 'sodium azide' 'natural abundance' . . . . . . 2 . . ug/mL . . . . 30606 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30606 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.0 mM [U-99% 13C; U-99% 15N] VEK50[RH2/AA], 1.0 mM plasminogen Kringle 2, 20 mM [U-2H] Bis-Tris-d19, 2 ug/mL DSS, 2 ug/mL sodium azide, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'plasminogen Kringle 2' 'natural abundance' . . 1 $entity_1 . . 1.0 . . mM 0.1 . . . 30606 2 2 VEK50[RH2/AA] '[U-99% 13C; U-99% 15N]' . . 2 $entity_2 . . 1.0 . . mM 0.1 . . . 30606 2 3 Bis-Tris-d19 [U-2H] . . . . . . 20 . . mM . . . . 30606 2 4 DSS 'natural abundance' . . . . . . 2 . . ug/mL . . . . 30606 2 5 'sodium azide' 'natural abundance' . . . . . . 2 . . ug/mL . . . . 30606 2 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 30606 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 30606 1 pH 6.8 . pH 30606 1 pressure 1 . atm 30606 1 temperature 298 . K 30606 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30606 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30606 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 30606 1 . processing 30606 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30606 _Software.ID 2 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30606 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 30606 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30606 _Software.ID 3 _Software.Type . _Software.Name CS-ROSETTA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Vernon, Baker and Bax' . . 30606 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 30606 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30606 _Software.ID 4 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30606 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30606 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30606 _Software.ID 5 _Software.Type . _Software.Name HADDOCK _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bonvin . . 30606 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30606 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30606 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _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 30606 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 800 . . . 30606 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 30606 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30606 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30606 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30606 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30606 1 5 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30606 1 6 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30606 1 7 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30606 1 8 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30606 1 9 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30606 1 10 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30606 1 11 '3D NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30606 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30606 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 30606 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 30606 1 N 15 DSS nitrogen . . . . ppm 0 internal indirect 0.101329118 . . . . . 30606 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30606 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30606 1 2 '2D 1H-15N HSQC' . . . 30606 1 3 '3D CBCA(CO)NH' . . . 30606 1 4 '3D C(CO)NH' . . . 30606 1 5 '3D C(CO)NH' . . . 30606 1 6 '3D HNCACB' . . . 30606 1 7 '3D HNCA' . . . 30606 1 8 '3D HNCO' . . . 30606 1 9 '2D 1H-1H TOCSY' . . . 30606 1 10 '2D 1H-1H TOCSY' . . . 30606 1 11 '3D NOESY' . . . 30606 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.Ambiguity_set_ID _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 VAL H H 1 7.9390 0.02 . 1 . . . . A 2 VAL H . 30606 1 2 . 1 1 2 2 VAL HA H 1 4.0350 0.02 . 1 . . . . A 2 VAL HA . 30606 1 3 . 1 1 2 2 VAL HB H 1 1.8990 0.02 . 1 . . . . A 2 VAL HB . 30606 1 4 . 1 1 2 2 VAL HG11 H 1 0.81100 0.02 . 2 . . . . A 2 VAL HG11 . 30606 1 5 . 1 1 2 2 VAL HG12 H 1 0.81100 0.02 . 2 . . . . A 2 VAL HG12 . 30606 1 6 . 1 1 2 2 VAL HG13 H 1 0.81100 0.02 . 2 . . . . A 2 VAL HG13 . 30606 1 7 . 1 1 2 2 VAL HG21 H 1 0.86100 0.02 . 2 . . . . A 2 VAL HG21 . 30606 1 8 . 1 1 2 2 VAL HG22 H 1 0.86100 0.02 . 2 . . . . A 2 VAL HG22 . 30606 1 9 . 1 1 2 2 VAL HG23 H 1 0.86100 0.02 . 2 . . . . A 2 VAL HG23 . 30606 1 10 . 1 1 2 2 VAL C C 13 174.81 0.2 . 1 . . . . A 2 VAL C . 30606 1 11 . 1 1 2 2 VAL CA C 13 61.947 0.2 . 1 . . . . A 2 VAL CA . 30606 1 12 . 1 1 2 2 VAL CB C 13 33.175 0.2 . 1 . . . . A 2 VAL CB . 30606 1 13 . 1 1 2 2 VAL CG1 C 13 21.240 0.2 . 2 . . . . A 2 VAL CG1 . 30606 1 14 . 1 1 2 2 VAL CG2 C 13 21.612 0.2 . 2 . . . . A 2 VAL CG2 . 30606 1 15 . 1 1 2 2 VAL N N 15 123.81 0.2 . 1 . . . . A 2 VAL N . 30606 1 16 . 1 1 3 3 GLU H H 1 8.4570 0.02 . 1 . . . . A 3 GLU H . 30606 1 17 . 1 1 3 3 GLU HA H 1 4.1680 0.02 . 1 . . . . A 3 GLU HA . 30606 1 18 . 1 1 3 3 GLU HB2 H 1 1.8650 0.02 . 2 . . . . A 3 GLU HB2 . 30606 1 19 . 1 1 3 3 GLU HB3 H 1 1.9070 0.02 . 2 . . . . A 3 GLU HB3 . 30606 1 20 . 1 1 3 3 GLU HG2 H 1 2.1700 0.02 . 2 . . . . A 3 GLU HG2 . 30606 1 21 . 1 1 3 3 GLU HG3 H 1 2.1700 0.02 . 2 . . . . A 3 GLU HG3 . 30606 1 22 . 1 1 3 3 GLU C C 13 175.89 0.2 . 1 . . . . A 3 GLU C . 30606 1 23 . 1 1 3 3 GLU CA C 13 56.487 0.2 . 1 . . . . A 3 GLU CA . 30606 1 24 . 1 1 3 3 GLU CB C 13 30.349 0.2 . 1 . . . . A 3 GLU CB . 30606 1 25 . 1 1 3 3 GLU CG C 13 36.099 0.2 . 1 . . . . A 3 GLU CG . 30606 1 26 . 1 1 3 3 GLU N N 15 125.43 0.2 . 1 . . . . A 3 GLU N . 30606 1 27 . 1 1 4 4 PHE H H 1 8.3230 0.02 . 1 . . . . A 4 PHE H . 30606 1 28 . 1 1 4 4 PHE HA H 1 4.6510 0.02 . 1 . . . . A 4 PHE HA . 30606 1 29 . 1 1 4 4 PHE HB2 H 1 3.0570 0.02 . 2 . . . . A 4 PHE HB2 . 30606 1 30 . 1 1 4 4 PHE HB3 H 1 3.1070 0.02 . 2 . . . . A 4 PHE HB3 . 30606 1 31 . 1 1 4 4 PHE HD1 H 1 7.2810 0.02 . 3 . . . . A 4 PHE HD1 . 30606 1 32 . 1 1 4 4 PHE HD2 H 1 7.2810 0.02 . 3 . . . . A 4 PHE HD2 . 30606 1 33 . 1 1 4 4 PHE HE1 H 1 7.3060 0.02 . 3 . . . . A 4 PHE HE1 . 30606 1 34 . 1 1 4 4 PHE HE2 H 1 7.3060 0.02 . 3 . . . . A 4 PHE HE2 . 30606 1 35 . 1 1 4 4 PHE HZ H 1 7.3240 0.02 . 1 . . . . A 4 PHE HZ . 30606 1 36 . 1 1 4 4 PHE C C 13 175.55 0.2 . 1 . . . . A 4 PHE C . 30606 1 37 . 1 1 4 4 PHE CA C 13 57.827 0.2 . 1 . . . . A 4 PHE CA . 30606 1 38 . 1 1 4 4 PHE CB C 13 39.623 0.2 . 1 . . . . A 4 PHE CB . 30606 1 39 . 1 1 4 4 PHE CD1 C 13 131.98 0.2 . 3 . . . . A 4 PHE CD1 . 30606 1 40 . 1 1 4 4 PHE CD2 C 13 131.98 0.2 . 3 . . . . A 4 PHE CD2 . 30606 1 41 . 1 1 4 4 PHE CE1 C 13 130.00 0.2 . 3 . . . . A 4 PHE CE1 . 30606 1 42 . 1 1 4 4 PHE CE2 C 13 130.00 0.2 . 3 . . . . A 4 PHE CE2 . 30606 1 43 . 1 1 4 4 PHE CZ C 13 129.46 0.2 . 1 . . . . A 4 PHE CZ . 30606 1 44 . 1 1 4 4 PHE N N 15 121.76 0.2 . 1 . . . . A 4 PHE N . 30606 1 45 . 1 1 5 5 SER H H 1 8.1720 0.02 . 1 . . . . A 5 SER H . 30606 1 46 . 1 1 5 5 SER HA H 1 4.3950 0.02 . 1 . . . . A 5 SER HA . 30606 1 47 . 1 1 5 5 SER HB2 H 1 3.7650 0.02 . 2 . . . . A 5 SER HB2 . 30606 1 48 . 1 1 5 5 SER HB3 H 1 3.7980 0.02 . 2 . . . . A 5 SER HB3 . 30606 1 49 . 1 1 5 5 SER C C 13 174.00 0.2 . 1 . . . . A 5 SER C . 30606 1 50 . 1 1 5 5 SER CA C 13 58.045 0.2 . 1 . . . . A 5 SER CA . 30606 1 51 . 1 1 5 5 SER CB C 13 64.050 0.2 . 1 . . . . A 5 SER CB . 30606 1 52 . 1 1 5 5 SER N N 15 117.75 0.2 . 1 . . . . A 5 SER N . 30606 1 53 . 1 1 6 6 GLU H H 1 8.4410 0.02 . 1 . . . . A 6 GLU H . 30606 1 54 . 1 1 6 6 GLU HA H 1 4.2900 0.02 . 1 . . . . A 6 GLU HA . 30606 1 55 . 1 1 6 6 GLU HB2 H 1 2.1510 0.02 . 2 . . . . A 6 GLU HB2 . 30606 1 56 . 1 1 6 6 GLU HB3 H 1 1.9620 0.02 . 2 . . . . A 6 GLU HB3 . 30606 1 57 . 1 1 6 6 GLU HG2 H 1 2.3350 0.02 . 2 . . . . A 6 GLU HG2 . 30606 1 58 . 1 1 6 6 GLU HG3 H 1 2.3350 0.02 . 2 . . . . A 6 GLU HG3 . 30606 1 59 . 1 1 6 6 GLU C C 13 176.70 0.2 . 1 . . . . A 6 GLU C . 30606 1 60 . 1 1 6 6 GLU CA C 13 56.479 0.2 . 1 . . . . A 6 GLU CA . 30606 1 61 . 1 1 6 6 GLU CB C 13 30.715 0.2 . 1 . . . . A 6 GLU CB . 30606 1 62 . 1 1 6 6 GLU CG C 13 36.588 0.2 . 1 . . . . A 6 GLU CG . 30606 1 63 . 1 1 6 6 GLU N N 15 122.93 0.2 . 1 . . . . A 6 GLU N . 30606 1 64 . 1 1 7 7 GLU H H 1 8.4180 0.02 . 1 . . . . A 7 GLU H . 30606 1 65 . 1 1 7 7 GLU HA H 1 4.7420 0.02 . 1 . . . . A 7 GLU HA . 30606 1 66 . 1 1 7 7 GLU HB2 H 1 2.1890 0.02 . 2 . . . . A 7 GLU HB2 . 30606 1 67 . 1 1 7 7 GLU HB3 H 1 1.7950 0.02 . 2 . . . . A 7 GLU HB3 . 30606 1 68 . 1 1 7 7 GLU HG2 H 1 2.2870 0.02 . 2 . . . . A 7 GLU HG2 . 30606 1 69 . 1 1 7 7 GLU HG3 H 1 2.2870 0.02 . 2 . . . . A 7 GLU HG3 . 30606 1 70 . 1 1 7 7 GLU C C 13 175.15 0.2 . 1 . . . . A 7 GLU C . 30606 1 71 . 1 1 7 7 GLU CA C 13 55.617 0.2 . 1 . . . . A 7 GLU CA . 30606 1 72 . 1 1 7 7 GLU CB C 13 29.095 0.2 . 1 . . . . A 7 GLU CB . 30606 1 73 . 1 1 7 7 GLU CG C 13 35.337 0.2 . 1 . . . . A 7 GLU CG . 30606 1 74 . 1 1 7 7 GLU N N 15 122.71 0.2 . 1 . . . . A 7 GLU N . 30606 1 75 . 1 1 8 8 CYS H H 1 7.9390 0.02 . 1 . . . . A 8 CYS H . 30606 1 76 . 1 1 8 8 CYS HA H 1 4.9690 0.02 . 1 . . . . A 8 CYS HA . 30606 1 77 . 1 1 8 8 CYS HB2 H 1 3.0710 0.02 . 2 . . . . A 8 CYS HB2 . 30606 1 78 . 1 1 8 8 CYS HB3 H 1 2.9230 0.02 . 2 . . . . A 8 CYS HB3 . 30606 1 79 . 1 1 8 8 CYS C C 13 171.61 0.2 . 1 . . . . A 8 CYS C . 30606 1 80 . 1 1 8 8 CYS CA C 13 53.880 0.2 . 1 . . . . A 8 CYS CA . 30606 1 81 . 1 1 8 8 CYS CB C 13 43.144 0.2 . 1 . . . . A 8 CYS CB . 30606 1 82 . 1 1 8 8 CYS N N 15 115.00 0.2 . 1 . . . . A 8 CYS N . 30606 1 83 . 1 1 9 9 MET H H 1 9.3600 0.02 . 1 . . . . A 9 MET H . 30606 1 84 . 1 1 9 9 MET HA H 1 5.0490 0.02 . 1 . . . . A 9 MET HA . 30606 1 85 . 1 1 9 9 MET HB2 H 1 1.9160 0.02 . 2 . . . . A 9 MET HB2 . 30606 1 86 . 1 1 9 9 MET HB3 H 1 1.5380 0.02 . 2 . . . . A 9 MET HB3 . 30606 1 87 . 1 1 9 9 MET HG2 H 1 2.2870 0.02 . 2 . . . . A 9 MET HG2 . 30606 1 88 . 1 1 9 9 MET HG3 H 1 2.0890 0.02 . 2 . . . . A 9 MET HG3 . 30606 1 89 . 1 1 9 9 MET C C 13 174.04 0.2 . 1 . . . . A 9 MET C . 30606 1 90 . 1 1 9 9 MET CA C 13 53.312 0.2 . 1 . . . . A 9 MET CA . 30606 1 91 . 1 1 9 9 MET CB C 13 36.165 0.2 . 1 . . . . A 9 MET CB . 30606 1 92 . 1 1 9 9 MET CG C 13 31.297 0.2 . 1 . . . . A 9 MET CG . 30606 1 93 . 1 1 9 9 MET N N 15 117.45 0.2 . 1 . . . . A 9 MET N . 30606 1 94 . 1 1 10 10 HIS H H 1 9.6100 0.02 . 1 . . . . A 10 HIS H . 30606 1 95 . 1 1 10 10 HIS HA H 1 4.8770 0.02 . 1 . . . . A 10 HIS HA . 30606 1 96 . 1 1 10 10 HIS HB2 H 1 3.0820 0.02 . 2 . . . . A 10 HIS HB2 . 30606 1 97 . 1 1 10 10 HIS HB3 H 1 3.1960 0.02 . 2 . . . . A 10 HIS HB3 . 30606 1 98 . 1 1 10 10 HIS HD1 H 1 7.2980 0.02 . 1 . . . . A 10 HIS HD1 . 30606 1 99 . 1 1 10 10 HIS HD2 H 1 6.8550 0.02 . 1 . . . . A 10 HIS HD2 . 30606 1 100 . 1 1 10 10 HIS HE1 H 1 8.3290 0.02 . 1 . . . . A 10 HIS HE1 . 30606 1 101 . 1 1 10 10 HIS HE2 H 1 9.5690 0.02 . 1 . . . . A 10 HIS HE2 . 30606 1 102 . 1 1 10 10 HIS C C 13 176.70 0.2 . 1 . . . . A 10 HIS C . 30606 1 103 . 1 1 10 10 HIS CA C 13 55.016 0.2 . 1 . . . . A 10 HIS CA . 30606 1 104 . 1 1 10 10 HIS CB C 13 31.116 0.2 . 1 . . . . A 10 HIS CB . 30606 1 105 . 1 1 10 10 HIS CD2 C 13 118.50 0.2 . 1 . . . . A 10 HIS CD2 . 30606 1 106 . 1 1 10 10 HIS CE1 C 13 139.10 0.2 . 1 . . . . A 10 HIS CE1 . 30606 1 107 . 1 1 10 10 HIS N N 15 124.29 0.2 . 1 . . . . A 10 HIS N . 30606 1 108 . 1 1 11 11 GLY H H 1 9.2490 0.02 . 1 . . . . A 11 GLY H . 30606 1 109 . 1 1 11 11 GLY HA2 H 1 4.1040 0.02 . 2 . . . . A 11 GLY HA2 . 30606 1 110 . 1 1 11 11 GLY HA3 H 1 3.8430 0.02 . 2 . . . . A 11 GLY HA3 . 30606 1 111 . 1 1 11 11 GLY C C 13 174.56 0.2 . 1 . . . . A 11 GLY C . 30606 1 112 . 1 1 11 11 GLY CA C 13 47.652 0.2 . 1 . . . . A 11 GLY CA . 30606 1 113 . 1 1 11 11 GLY N N 15 115.22 0.2 . 1 . . . . A 11 GLY N . 30606 1 114 . 1 1 12 12 SER H H 1 9.0100 0.02 . 1 . . . . A 12 SER H . 30606 1 115 . 1 1 12 12 SER HA H 1 4.6530 0.02 . 1 . . . . A 12 SER HA . 30606 1 116 . 1 1 12 12 SER HB2 H 1 3.9280 0.02 . 2 . . . . A 12 SER HB2 . 30606 1 117 . 1 1 12 12 SER HB3 H 1 3.9280 0.02 . 2 . . . . A 12 SER HB3 . 30606 1 118 . 1 1 12 12 SER C C 13 176.18 0.2 . 1 . . . . A 12 SER C . 30606 1 119 . 1 1 12 12 SER CA C 13 57.731 0.2 . 1 . . . . A 12 SER CA . 30606 1 120 . 1 1 12 12 SER CB C 13 63.439 0.2 . 1 . . . . A 12 SER CB . 30606 1 121 . 1 1 12 12 SER N N 15 121.79 0.2 . 1 . . . . A 12 SER N . 30606 1 122 . 1 1 13 13 GLY H H 1 9.0580 0.02 . 1 . . . . A 13 GLY H . 30606 1 123 . 1 1 13 13 GLY HA2 H 1 4.0520 0.02 . 2 . . . . A 13 GLY HA2 . 30606 1 124 . 1 1 13 13 GLY HA3 H 1 3.9570 0.02 . 2 . . . . A 13 GLY HA3 . 30606 1 125 . 1 1 13 13 GLY C C 13 176.18 0.2 . 1 . . . . A 13 GLY C . 30606 1 126 . 1 1 13 13 GLY CA C 13 47.972 0.2 . 1 . . . . A 13 GLY CA . 30606 1 127 . 1 1 13 13 GLY N N 15 109.33 0.2 . 1 . . . . A 13 GLY N . 30606 1 128 . 1 1 14 14 GLU H H 1 9.5290 0.02 . 1 . . . . A 14 GLU H . 30606 1 129 . 1 1 14 14 GLU HA H 1 4.3470 0.02 . 1 . . . . A 14 GLU HA . 30606 1 130 . 1 1 14 14 GLU HB2 H 1 2.0660 0.02 . 2 . . . . A 14 GLU HB2 . 30606 1 131 . 1 1 14 14 GLU HB3 H 1 2.0660 0.02 . 2 . . . . A 14 GLU HB3 . 30606 1 132 . 1 1 14 14 GLU HG2 H 1 2.3490 0.02 . 2 . . . . A 14 GLU HG2 . 30606 1 133 . 1 1 14 14 GLU HG3 H 1 2.3490 0.02 . 2 . . . . A 14 GLU HG3 . 30606 1 134 . 1 1 14 14 GLU C C 13 177.04 0.2 . 1 . . . . A 14 GLU C . 30606 1 135 . 1 1 14 14 GLU CA C 13 60.282 0.2 . 1 . . . . A 14 GLU CA . 30606 1 136 . 1 1 14 14 GLU CB C 13 29.145 0.2 . 1 . . . . A 14 GLU CB . 30606 1 137 . 1 1 14 14 GLU CG C 13 37.015 0.2 . 1 . . . . A 14 GLU CG . 30606 1 138 . 1 1 14 14 GLU N N 15 123.58 0.2 . 1 . . . . A 14 GLU N . 30606 1 139 . 1 1 15 15 ASN H H 1 8.4580 0.02 . 1 . . . . A 15 ASN H . 30606 1 140 . 1 1 15 15 ASN HA H 1 5.0300 0.02 . 1 . . . . A 15 ASN HA . 30606 1 141 . 1 1 15 15 ASN HB2 H 1 2.9750 0.02 . 2 . . . . A 15 ASN HB2 . 30606 1 142 . 1 1 15 15 ASN HB3 H 1 2.7850 0.02 . 2 . . . . A 15 ASN HB3 . 30606 1 143 . 1 1 15 15 ASN HD21 H 1 7.6730 0.02 . 2 . . . . A 15 ASN HD21 . 30606 1 144 . 1 1 15 15 ASN HD22 H 1 6.9050 0.2 . 1 . . . . A 15 ASN HD22 . 30606 1 145 . 1 1 15 15 ASN C C 13 174.85 0.2 . 1 . . . . A 15 ASN C . 30606 1 146 . 1 1 15 15 ASN CA C 13 51.725 0.2 . 1 . . . . A 15 ASN CA . 30606 1 147 . 1 1 15 15 ASN CB C 13 38.404 0.2 . 1 . . . . A 15 ASN CB . 30606 1 148 . 1 1 15 15 ASN N N 15 112.89 0.2 . 1 . . . . A 15 ASN N . 30606 1 149 . 1 1 15 15 ASN ND2 N 15 113.29 0.2 . 1 . . . . A 15 ASN ND2 . 30606 1 150 . 1 1 16 16 TYR H H 1 7.6300 0.02 . 1 . . . . A 16 TYR H . 30606 1 151 . 1 1 16 16 TYR HA H 1 4.4450 0.02 . 1 . . . . A 16 TYR HA . 30606 1 152 . 1 1 16 16 TYR HB2 H 1 3.1000 0.02 . 2 . . . . A 16 TYR HB2 . 30606 1 153 . 1 1 16 16 TYR HB3 H 1 3.1000 0.02 . 2 . . . . A 16 TYR HB3 . 30606 1 154 . 1 1 16 16 TYR HD1 H 1 7.0890 0.02 . 3 . . . . A 16 TYR HD1 . 30606 1 155 . 1 1 16 16 TYR HD2 H 1 7.0890 0.02 . 3 . . . . A 16 TYR HD2 . 30606 1 156 . 1 1 16 16 TYR HE1 H 1 6.8410 0.02 . 3 . . . . A 16 TYR HE1 . 30606 1 157 . 1 1 16 16 TYR HE2 H 1 6.8410 0.02 . 3 . . . . A 16 TYR HE2 . 30606 1 158 . 1 1 16 16 TYR HH H 1 10.642 0.02 . 1 . . . . A 16 TYR HH . 30606 1 159 . 1 1 16 16 TYR C C 13 175.77 0.2 . 1 . . . . A 16 TYR C . 30606 1 160 . 1 1 16 16 TYR CA C 13 60.125 0.2 . 1 . . . . A 16 TYR CA . 30606 1 161 . 1 1 16 16 TYR CB C 13 38.590 0.2 . 1 . . . . A 16 TYR CB . 30606 1 162 . 1 1 16 16 TYR CD1 C 13 133.38 0.2 . 3 . . . . A 16 TYR CD1 . 30606 1 163 . 1 1 16 16 TYR CD2 C 13 133.38 0.2 . 3 . . . . A 16 TYR CD2 . 30606 1 164 . 1 1 16 16 TYR CE1 C 13 118.23 0.2 . 3 . . . . A 16 TYR CE1 . 30606 1 165 . 1 1 16 16 TYR CE2 C 13 118.23 0.2 . 3 . . . . A 16 TYR CE2 . 30606 1 166 . 1 1 16 16 TYR N N 15 121.33 0.2 . 1 . . . . A 16 TYR N . 30606 1 167 . 1 1 17 17 ASP H H 1 8.6900 0.02 . 1 . . . . A 17 ASP H . 30606 1 168 . 1 1 17 17 ASP HA H 1 4.5990 0.02 . 1 . . . . A 17 ASP HA . 30606 1 169 . 1 1 17 17 ASP HB2 H 1 2.3290 0.02 . 2 . . . . A 17 ASP HB2 . 30606 1 170 . 1 1 17 17 ASP HB3 H 1 2.3290 0.02 . 2 . . . . A 17 ASP HB3 . 30606 1 171 . 1 1 17 17 ASP C C 13 175.75 0.2 . 1 . . . . A 17 ASP C . 30606 1 172 . 1 1 17 17 ASP CA C 13 52.327 0.2 . 1 . . . . A 17 ASP CA . 30606 1 173 . 1 1 17 17 ASP CB C 13 42.265 0.2 . 1 . . . . A 17 ASP CB . 30606 1 174 . 1 1 17 17 ASP N N 15 130.24 0.2 . 1 . . . . A 17 ASP N . 30606 1 175 . 1 1 18 18 GLY H H 1 4.5040 0.02 . 1 . . . . A 18 GLY H . 30606 1 176 . 1 1 18 18 GLY HA2 H 1 4.0920 0.02 . 2 . . . . A 18 GLY HA2 . 30606 1 177 . 1 1 18 18 GLY HA3 H 1 3.7860 0.02 . 2 . . . . A 18 GLY HA3 . 30606 1 178 . 1 1 18 18 GLY C C 13 174.73 0.2 . 1 . . . . A 18 GLY C . 30606 1 179 . 1 1 18 18 GLY CA C 13 44.739 0.2 . 1 . . . . A 18 GLY CA . 30606 1 180 . 1 1 18 18 GLY N N 15 104.44 0.2 . 1 . . . . A 18 GLY N . 30606 1 181 . 1 1 19 19 LYS H H 1 9.2720 0.02 . 1 . . . . A 19 LYS H . 30606 1 182 . 1 1 19 19 LYS HA H 1 3.2480 0.02 . 1 . . . . A 19 LYS HA . 30606 1 183 . 1 1 19 19 LYS HB2 H 1 1.6390 0.02 . 2 . . . . A 19 LYS HB2 . 30606 1 184 . 1 1 19 19 LYS HB3 H 1 1.6390 0.02 . 2 . . . . A 19 LYS HB3 . 30606 1 185 . 1 1 19 19 LYS HG2 H 1 1.0400 0.02 . 2 . . . . A 19 LYS HG2 . 30606 1 186 . 1 1 19 19 LYS HG3 H 1 1.2840 0.02 . 2 . . . . A 19 LYS HG3 . 30606 1 187 . 1 1 19 19 LYS HD2 H 1 1.5700 0.02 . 2 . . . . A 19 LYS HD2 . 30606 1 188 . 1 1 19 19 LYS HD3 H 1 1.5700 0.02 . 2 . . . . A 19 LYS HD3 . 30606 1 189 . 1 1 19 19 LYS HE2 H 1 2.9400 0.02 . 2 . . . . A 19 LYS HE2 . 30606 1 190 . 1 1 19 19 LYS HE3 H 1 2.9400 0.02 . 2 . . . . A 19 LYS HE3 . 30606 1 191 . 1 1 19 19 LYS C C 13 176.41 0.2 . 1 . . . . A 19 LYS C . 30606 1 192 . 1 1 19 19 LYS CA C 13 55.454 0.2 . 1 . . . . A 19 LYS CA . 30606 1 193 . 1 1 19 19 LYS CB C 13 32.499 0.2 . 1 . . . . A 19 LYS CB . 30606 1 194 . 1 1 19 19 LYS CG C 13 25.100 0.2 . 1 . . . . A 19 LYS CG . 30606 1 195 . 1 1 19 19 LYS CD C 13 29.560 0.2 . 1 . . . . A 19 LYS CD . 30606 1 196 . 1 1 19 19 LYS CE C 13 42.114 0.2 . 1 . . . . A 19 LYS CE . 30606 1 197 . 1 1 19 19 LYS N N 15 117.57 0.2 . 1 . . . . A 19 LYS N . 30606 1 198 . 1 1 20 20 ILE H H 1 7.5660 0.02 . 1 . . . . A 20 ILE H . 30606 1 199 . 1 1 20 20 ILE HA H 1 3.9910 0.02 . 1 . . . . A 20 ILE HA . 30606 1 200 . 1 1 20 20 ILE HB H 1 1.9820 0.02 . 1 . . . . A 20 ILE HB . 30606 1 201 . 1 1 20 20 ILE HG12 H 1 1.6660 0.02 . 2 . . . . A 20 ILE HG12 . 30606 1 202 . 1 1 20 20 ILE HG13 H 1 1.2340 0.02 . 2 . . . . A 20 ILE HG13 . 30606 1 203 . 1 1 20 20 ILE HG21 H 1 0.99200 0.02 . 1 . . . . A 20 ILE HG21 . 30606 1 204 . 1 1 20 20 ILE HG22 H 1 0.99200 0.02 . 1 . . . . A 20 ILE HG22 . 30606 1 205 . 1 1 20 20 ILE HG23 H 1 0.99200 0.02 . 1 . . . . A 20 ILE HG23 . 30606 1 206 . 1 1 20 20 ILE HD11 H 1 0.35600 0.02 . 1 . . . . A 20 ILE HD11 . 30606 1 207 . 1 1 20 20 ILE HD12 H 1 0.35600 0.02 . 1 . . . . A 20 ILE HD12 . 30606 1 208 . 1 1 20 20 ILE HD13 H 1 0.35600 0.02 . 1 . . . . A 20 ILE HD13 . 30606 1 209 . 1 1 20 20 ILE C C 13 176.76 0.2 . 1 . . . . A 20 ILE C . 30606 1 210 . 1 1 20 20 ILE CA C 13 64.261 0.2 . 1 . . . . A 20 ILE CA . 30606 1 211 . 1 1 20 20 ILE CB C 13 36.212 0.2 . 1 . . . . A 20 ILE CB . 30606 1 212 . 1 1 20 20 ILE CG1 C 13 29.516 0.2 . 1 . . . . A 20 ILE CG1 . 30606 1 213 . 1 1 20 20 ILE CG2 C 13 18.072 0.2 . 1 . . . . A 20 ILE CG2 . 30606 1 214 . 1 1 20 20 ILE CD1 C 13 13.230 0.2 . 1 . . . . A 20 ILE CD1 . 30606 1 215 . 1 1 20 20 ILE N N 15 122.76 0.2 . 1 . . . . A 20 ILE N . 30606 1 216 . 1 1 21 21 SER H H 1 8.8010 0.02 . 1 . . . . A 21 SER H . 30606 1 217 . 1 1 21 21 SER HA H 1 5.1280 0.02 . 1 . . . . A 21 SER HA . 30606 1 218 . 1 1 21 21 SER HB2 H 1 4.4830 0.02 . 2 . . . . A 21 SER HB2 . 30606 1 219 . 1 1 21 21 SER HB3 H 1 3.5070 0.02 . 2 . . . . A 21 SER HB3 . 30606 1 220 . 1 1 21 21 SER C C 13 172.71 0.2 . 1 . . . . A 21 SER C . 30606 1 221 . 1 1 21 21 SER CA C 13 57.513 0.2 . 1 . . . . A 21 SER CA . 30606 1 222 . 1 1 21 21 SER CB C 13 65.126 0.2 . 1 . . . . A 21 SER CB . 30606 1 223 . 1 1 21 21 SER N N 15 122.76 0.2 . 1 . . . . A 21 SER N . 30606 1 224 . 1 1 22 22 LYS H H 1 7.1500 0.02 . 1 . . . . A 22 LYS H . 30606 1 225 . 1 1 22 22 LYS HA H 1 5.5300 0.02 . 1 . . . . A 22 LYS HA . 30606 1 226 . 1 1 22 22 LYS HB2 H 1 1.6020 0.02 . 2 . . . . A 22 LYS HB2 . 30606 1 227 . 1 1 22 22 LYS HB3 H 1 1.6020 0.02 . 2 . . . . A 22 LYS HB3 . 30606 1 228 . 1 1 22 22 LYS HG2 H 1 1.4170 0.02 . 2 . . . . A 22 LYS HG2 . 30606 1 229 . 1 1 22 22 LYS HG3 H 1 1.4170 0.02 . 2 . . . . A 22 LYS HG3 . 30606 1 230 . 1 1 22 22 LYS HD2 H 1 1.6250 0.02 . 2 . . . . A 22 LYS HD2 . 30606 1 231 . 1 1 22 22 LYS HD3 H 1 1.6250 0.02 . 2 . . . . A 22 LYS HD3 . 30606 1 232 . 1 1 22 22 LYS HE2 H 1 3.0310 0.02 . 2 . . . . A 22 LYS HE2 . 30606 1 233 . 1 1 22 22 LYS HE3 H 1 3.0310 0.02 . 2 . . . . A 22 LYS HE3 . 30606 1 234 . 1 1 22 22 LYS C C 13 176.12 0.2 . 1 . . . . A 22 LYS C . 30606 1 235 . 1 1 22 22 LYS CA C 13 53.471 0.2 . 1 . . . . A 22 LYS CA . 30606 1 236 . 1 1 22 22 LYS CB C 13 37.049 0.2 . 1 . . . . A 22 LYS CB . 30606 1 237 . 1 1 22 22 LYS CG C 13 24.329 0.2 . 1 . . . . A 22 LYS CG . 30606 1 238 . 1 1 22 22 LYS CD C 13 29.771 0.2 . 1 . . . . A 22 LYS CD . 30606 1 239 . 1 1 22 22 LYS CE C 13 39.364 0.2 . 1 . . . . A 22 LYS CE . 30606 1 240 . 1 1 22 22 LYS N N 15 119.68 0.2 . 1 . . . . A 22 LYS N . 30606 1 241 . 1 1 23 23 THR H H 1 9.1320 0.02 . 1 . . . . A 23 THR H . 30606 1 242 . 1 1 23 23 THR HA H 1 4.6300 0.02 . 1 . . . . A 23 THR HA . 30606 1 243 . 1 1 23 23 THR HB H 1 4.5530 0.02 . 1 . . . . A 23 THR HB . 30606 1 244 . 1 1 23 23 THR HG1 H 1 6.0510 0.02 . 1 . . . . A 23 THR HG1 . 30606 1 245 . 1 1 23 23 THR HG21 H 1 1.2140 0.02 . 1 . . . . A 23 THR HG21 . 30606 1 246 . 1 1 23 23 THR HG22 H 1 1.2140 0.02 . 1 . . . . A 23 THR HG22 . 30606 1 247 . 1 1 23 23 THR HG23 H 1 1.2140 0.02 . 1 . . . . A 23 THR HG23 . 30606 1 248 . 1 1 23 23 THR C C 13 177.97 0.2 . 1 . . . . A 23 THR C . 30606 1 249 . 1 1 23 23 THR CA C 13 61.032 0.2 . 1 . . . . A 23 THR CA . 30606 1 250 . 1 1 23 23 THR CB C 13 70.818 0.2 . 1 . . . . A 23 THR CB . 30606 1 251 . 1 1 23 23 THR CG2 C 13 23.230 0.2 . 1 . . . . A 23 THR CG2 . 30606 1 252 . 1 1 23 23 THR N N 15 111.05 0.2 . 1 . . . . A 23 THR N . 30606 1 253 . 1 1 24 24 MET H H 1 9.4040 0.02 . 1 . . . . A 24 MET H . 30606 1 254 . 1 1 24 24 MET HA H 1 4.1680 0.02 . 1 . . . . A 24 MET HA . 30606 1 255 . 1 1 24 24 MET HB2 H 1 2.1930 0.02 . 2 . . . . A 24 MET HB2 . 30606 1 256 . 1 1 24 24 MET HB3 H 1 1.7710 0.02 . 2 . . . . A 24 MET HB3 . 30606 1 257 . 1 1 24 24 MET HG2 H 1 2.3870 0.02 . 2 . . . . A 24 MET HG2 . 30606 1 258 . 1 1 24 24 MET HG3 H 1 2.6500 0.02 . 2 . . . . A 24 MET HG3 . 30606 1 259 . 1 1 24 24 MET C C 13 176.12 0.2 . 1 . . . . A 24 MET C . 30606 1 260 . 1 1 24 24 MET CA C 13 58.704 0.2 . 1 . . . . A 24 MET CA . 30606 1 261 . 1 1 24 24 MET CB C 13 32.546 0.2 . 1 . . . . A 24 MET CB . 30606 1 262 . 1 1 24 24 MET CG C 13 30.843 0.2 . 1 . . . . A 24 MET CG . 30606 1 263 . 1 1 24 24 MET N N 15 118.04 0.2 . 1 . . . . A 24 MET N . 30606 1 264 . 1 1 25 25 SER H H 1 7.7650 0.02 . 1 . . . . A 25 SER H . 30606 1 265 . 1 1 25 25 SER HA H 1 4.5750 0.02 . 1 . . . . A 25 SER HA . 30606 1 266 . 1 1 25 25 SER HB2 H 1 4.0820 0.02 . 2 . . . . A 25 SER HB2 . 30606 1 267 . 1 1 25 25 SER HB3 H 1 3.9050 0.02 . 2 . . . . A 25 SER HB3 . 30606 1 268 . 1 1 25 25 SER HG H 1 6.0600 0.02 . 1 . . . . A 25 SER HG . 30606 1 269 . 1 1 25 25 SER C C 13 174.85 0.2 . 1 . . . . A 25 SER C . 30606 1 270 . 1 1 25 25 SER CA C 13 58.895 0.2 . 1 . . . . A 25 SER CA . 30606 1 271 . 1 1 25 25 SER CB C 13 62.844 0.2 . 1 . . . . A 25 SER CB . 30606 1 272 . 1 1 25 25 SER N N 15 113.56 0.2 . 1 . . . . A 25 SER N . 30606 1 273 . 1 1 26 26 GLY H H 1 8.1410 0.02 . 1 . . . . A 26 GLY H . 30606 1 274 . 1 1 26 26 GLY HA2 H 1 4.3050 0.02 . 2 . . . . A 26 GLY HA2 . 30606 1 275 . 1 1 26 26 GLY HA3 H 1 3.5030 0.02 . 2 . . . . A 26 GLY HA3 . 30606 1 276 . 1 1 26 26 GLY C C 13 174.21 0.2 . 1 . . . . A 26 GLY C . 30606 1 277 . 1 1 26 26 GLY CA C 13 45.125 0.2 . 1 . . . . A 26 GLY CA . 30606 1 278 . 1 1 26 26 GLY N N 15 110.74 0.2 . 1 . . . . A 26 GLY N . 30606 1 279 . 1 1 27 27 LEU H H 1 7.1830 0.02 . 1 . . . . A 27 LEU H . 30606 1 280 . 1 1 27 27 LEU HA H 1 4.3190 0.02 . 1 . . . . A 27 LEU HA . 30606 1 281 . 1 1 27 27 LEU HB2 H 1 1.9820 0.02 . 2 . . . . A 27 LEU HB2 . 30606 1 282 . 1 1 27 27 LEU HB3 H 1 1.2760 0.02 . 2 . . . . A 27 LEU HB3 . 30606 1 283 . 1 1 27 27 LEU HG H 1 1.5620 0.02 . 1 . . . . A 27 LEU HG . 30606 1 284 . 1 1 27 27 LEU HD11 H 1 0.88200 0.02 . 2 . . . . A 27 LEU HD11 . 30606 1 285 . 1 1 27 27 LEU HD12 H 1 0.88200 0.02 . 2 . . . . A 27 LEU HD12 . 30606 1 286 . 1 1 27 27 LEU HD13 H 1 0.88200 0.02 . 2 . . . . A 27 LEU HD13 . 30606 1 287 . 1 1 27 27 LEU HD21 H 1 0.87200 0.02 . 2 . . . . A 27 LEU HD21 . 30606 1 288 . 1 1 27 27 LEU HD22 H 1 0.87200 0.02 . 2 . . . . A 27 LEU HD22 . 30606 1 289 . 1 1 27 27 LEU HD23 H 1 0.87200 0.02 . 2 . . . . A 27 LEU HD23 . 30606 1 290 . 1 1 27 27 LEU C C 13 176.18 0.2 . 1 . . . . A 27 LEU C . 30606 1 291 . 1 1 27 27 LEU CA C 13 54.211 0.2 . 1 . . . . A 27 LEU CA . 30606 1 292 . 1 1 27 27 LEU CB C 13 42.260 0.2 . 1 . . . . A 27 LEU CB . 30606 1 293 . 1 1 27 27 LEU CG C 13 25.728 0.2 . 1 . . . . A 27 LEU CG . 30606 1 294 . 1 1 27 27 LEU CD1 C 13 25.990 0.2 . 2 . . . . A 27 LEU CD1 . 30606 1 295 . 1 1 27 27 LEU CD2 C 13 23.320 0.2 . 2 . . . . A 27 LEU CD2 . 30606 1 296 . 1 1 27 27 LEU N N 15 120.66 0.2 . 1 . . . . A 27 LEU N . 30606 1 297 . 1 1 28 28 GLU H H 1 8.6920 0.02 . 1 . . . . A 28 GLU H . 30606 1 298 . 1 1 28 28 GLU HA H 1 4.5060 0.02 . 1 . . . . A 28 GLU HA . 30606 1 299 . 1 1 28 28 GLU HB2 H 1 1.9840 0.02 . 2 . . . . A 28 GLU HB2 . 30606 1 300 . 1 1 28 28 GLU HB3 H 1 2.0240 0.02 . 2 . . . . A 28 GLU HB3 . 30606 1 301 . 1 1 28 28 GLU HG2 H 1 2.3940 0.02 . 2 . . . . A 28 GLU HG2 . 30606 1 302 . 1 1 28 28 GLU HG3 H 1 2.3940 0.02 . 2 . . . . A 28 GLU HG3 . 30606 1 303 . 1 1 28 28 GLU C C 13 177.16 0.2 . 1 . . . . A 28 GLU C . 30606 1 304 . 1 1 28 28 GLU CA C 13 56.451 0.2 . 1 . . . . A 28 GLU CA . 30606 1 305 . 1 1 28 28 GLU CB C 13 30.018 0.2 . 1 . . . . A 28 GLU CB . 30606 1 306 . 1 1 28 28 GLU CG C 13 35.519 0.2 . 1 . . . . A 28 GLU CG . 30606 1 307 . 1 1 28 28 GLU N N 15 122.46 0.2 . 1 . . . . A 28 GLU N . 30606 1 308 . 1 1 29 29 CYS H H 1 8.6360 0.02 . 1 . . . . A 29 CYS H . 30606 1 309 . 1 1 29 29 CYS HA H 1 4.8120 0.02 . 1 . . . . A 29 CYS HA . 30606 1 310 . 1 1 29 29 CYS HB2 H 1 3.2490 0.02 . 2 . . . . A 29 CYS HB2 . 30606 1 311 . 1 1 29 29 CYS HB3 H 1 2.6520 0.02 . 2 . . . . A 29 CYS HB3 . 30606 1 312 . 1 1 29 29 CYS C C 13 177.04 0.2 . 1 . . . . A 29 CYS C . 30606 1 313 . 1 1 29 29 CYS CA C 13 55.189 0.2 . 1 . . . . A 29 CYS CA . 30606 1 314 . 1 1 29 29 CYS CB C 13 37.938 0.2 . 1 . . . . A 29 CYS CB . 30606 1 315 . 1 1 29 29 CYS N N 15 125.54 0.2 . 1 . . . . A 29 CYS N . 30606 1 316 . 1 1 30 30 GLN H H 1 9.6920 0.02 . 1 . . . . A 30 GLN H . 30606 1 317 . 1 1 30 30 GLN HA H 1 3.8410 0.02 . 1 . . . . A 30 GLN HA . 30606 1 318 . 1 1 30 30 GLN HB2 H 1 1.1920 0.02 . 2 . . . . A 30 GLN HB2 . 30606 1 319 . 1 1 30 30 GLN HB3 H 1 1.7710 0.02 . 2 . . . . A 30 GLN HB3 . 30606 1 320 . 1 1 30 30 GLN HG2 H 1 2.4300 0.02 . 2 . . . . A 30 GLN HG2 . 30606 1 321 . 1 1 30 30 GLN HG3 H 1 2.2200 0.02 . 2 . . . . A 30 GLN HG3 . 30606 1 322 . 1 1 30 30 GLN HE21 H 1 7.7850 0.02 . 2 . . . . A 30 GLN HE21 . 30606 1 323 . 1 1 30 30 GLN HE22 H 1 6.1890 0.02 . 2 . . . . A 30 GLN HE22 . 30606 1 324 . 1 1 30 30 GLN C C 13 175.31 0.2 . 1 . . . . A 30 GLN C . 30606 1 325 . 1 1 30 30 GLN CA C 13 55.501 0.2 . 1 . . . . A 30 GLN CA . 30606 1 326 . 1 1 30 30 GLN CB C 13 29.943 0.2 . 1 . . . . A 30 GLN CB . 30606 1 327 . 1 1 30 30 GLN CG C 13 33.177 0.2 . 1 . . . . A 30 GLN CG . 30606 1 328 . 1 1 30 30 GLN N N 15 127.63 0.2 . 1 . . . . A 30 GLN N . 30606 1 329 . 1 1 30 30 GLN NE2 N 15 110.53 0.2 . 1 . . . . A 30 GLN NE2 . 30606 1 330 . 1 1 31 31 ALA H H 1 8.7020 0.02 . 1 . . . . A 31 ALA H . 30606 1 331 . 1 1 31 31 ALA HA H 1 4.0520 0.02 . 1 . . . . A 31 ALA HA . 30606 1 332 . 1 1 31 31 ALA HB1 H 1 1.3060 0.02 . 1 . . . . A 31 ALA HB1 . 30606 1 333 . 1 1 31 31 ALA HB2 H 1 1.3060 0.02 . 1 . . . . A 31 ALA HB2 . 30606 1 334 . 1 1 31 31 ALA HB3 H 1 1.3060 0.02 . 1 . . . . A 31 ALA HB3 . 30606 1 335 . 1 1 31 31 ALA C C 13 178.72 0.2 . 1 . . . . A 31 ALA C . 30606 1 336 . 1 1 31 31 ALA CA C 13 52.327 0.2 . 1 . . . . A 31 ALA CA . 30606 1 337 . 1 1 31 31 ALA CB C 13 18.034 0.2 . 1 . . . . A 31 ALA CB . 30606 1 338 . 1 1 31 31 ALA N N 15 128.48 0.2 . 1 . . . . A 31 ALA N . 30606 1 339 . 1 1 32 32 TRP H H 1 7.7090 0.02 . 1 . . . . A 32 TRP H . 30606 1 340 . 1 1 32 32 TRP HA H 1 4.2440 0.02 . 1 . . . . A 32 TRP HA . 30606 1 341 . 1 1 32 32 TRP HB2 H 1 3.6640 0.02 . 2 . . . . A 32 TRP HB2 . 30606 1 342 . 1 1 32 32 TRP HB3 H 1 2.9200 0.02 . 2 . . . . A 32 TRP HB3 . 30606 1 343 . 1 1 32 32 TRP HD1 H 1 7.1040 0.02 . 1 . . . . A 32 TRP HD1 . 30606 1 344 . 1 1 32 32 TRP HE1 H 1 11.419 0.02 . 1 . . . . A 32 TRP HE1 . 30606 1 345 . 1 1 32 32 TRP HE3 H 1 7.7900 0.02 . 1 . . . . A 32 TRP HE3 . 30606 1 346 . 1 1 32 32 TRP HZ2 H 1 7.3470 0.02 . 1 . . . . A 32 TRP HZ2 . 30606 1 347 . 1 1 32 32 TRP HZ3 H 1 7.2600 0.02 . 1 . . . . A 32 TRP HZ3 . 30606 1 348 . 1 1 32 32 TRP HH2 H 1 7.1280 0.02 . 1 . . . . A 32 TRP HH2 . 30606 1 349 . 1 1 32 32 TRP C C 13 177.57 0.2 . 1 . . . . A 32 TRP C . 30606 1 350 . 1 1 32 32 TRP CA C 13 59.531 0.2 . 1 . . . . A 32 TRP CA . 30606 1 351 . 1 1 32 32 TRP CB C 13 29.953 0.2 . 1 . . . . A 32 TRP CB . 30606 1 352 . 1 1 32 32 TRP CD1 C 13 127.75 0.2 . 1 . . . . A 32 TRP CD1 . 30606 1 353 . 1 1 32 32 TRP CE3 C 13 120.01 0.2 . 1 . . . . A 32 TRP CE3 . 30606 1 354 . 1 1 32 32 TRP CZ2 C 13 115.12 0.2 . 1 . . . . A 32 TRP CZ2 . 30606 1 355 . 1 1 32 32 TRP CZ3 C 13 119.71 0.2 . 1 . . . . A 32 TRP CZ3 . 30606 1 356 . 1 1 32 32 TRP CH2 C 13 123.14 0.2 . 1 . . . . A 32 TRP CH2 . 30606 1 357 . 1 1 32 32 TRP N N 15 123.44 0.2 . 1 . . . . A 32 TRP N . 30606 1 358 . 1 1 32 32 TRP NE1 N 15 131.48 0.2 . 1 . . . . A 32 TRP NE1 . 30606 1 359 . 1 1 33 33 ASP H H 1 8.8020 0.02 . 1 . . . . A 33 ASP H . 30606 1 360 . 1 1 33 33 ASP HA H 1 4.6340 0.02 . 1 . . . . A 33 ASP HA . 30606 1 361 . 1 1 33 33 ASP HB2 H 1 2.8430 0.02 . 2 . . . . A 33 ASP HB2 . 30606 1 362 . 1 1 33 33 ASP HB3 H 1 2.8430 0.02 . 2 . . . . A 33 ASP HB3 . 30606 1 363 . 1 1 33 33 ASP C C 13 175.83 0.2 . 1 . . . . A 33 ASP C . 30606 1 364 . 1 1 33 33 ASP CA C 13 53.090 0.2 . 1 . . . . A 33 ASP CA . 30606 1 365 . 1 1 33 33 ASP CB C 13 40.707 0.2 . 1 . . . . A 33 ASP CB . 30606 1 366 . 1 1 33 33 ASP N N 15 113.32 0.2 . 1 . . . . A 33 ASP N . 30606 1 367 . 1 1 34 34 SER H H 1 8.0520 0.02 . 1 . . . . A 34 SER H . 30606 1 368 . 1 1 34 34 SER HA H 1 4.7370 0.02 . 1 . . . . A 34 SER HA . 30606 1 369 . 1 1 34 34 SER HB2 H 1 4.1890 0.02 . 2 . . . . A 34 SER HB2 . 30606 1 370 . 1 1 34 34 SER HB3 H 1 3.9610 0.02 . 2 . . . . A 34 SER HB3 . 30606 1 371 . 1 1 34 34 SER HG H 1 6.1730 0.02 . 1 . . . . A 34 SER HG . 30606 1 372 . 1 1 34 34 SER C C 13 174.10 0.2 . 1 . . . . A 34 SER C . 30606 1 373 . 1 1 34 34 SER CA C 13 56.454 0.2 . 1 . . . . A 34 SER CA . 30606 1 374 . 1 1 34 34 SER CB C 13 65.137 0.2 . 1 . . . . A 34 SER CB . 30606 1 375 . 1 1 34 34 SER N N 15 114.39 0.2 . 1 . . . . A 34 SER N . 30606 1 376 . 1 1 35 35 GLN H H 1 8.3670 0.02 . 1 . . . . A 35 GLN H . 30606 1 377 . 1 1 35 35 GLN HA H 1 4.4260 0.02 . 1 . . . . A 35 GLN HA . 30606 1 378 . 1 1 35 35 GLN HB2 H 1 1.4940 0.02 . 2 . . . . A 35 GLN HB2 . 30606 1 379 . 1 1 35 35 GLN HB3 H 1 2.6640 0.02 . 2 . . . . A 35 GLN HB3 . 30606 1 380 . 1 1 35 35 GLN HG2 H 1 2.2120 0.02 . 2 . . . . A 35 GLN HG2 . 30606 1 381 . 1 1 35 35 GLN HG3 H 1 2.2120 0.02 . 2 . . . . A 35 GLN HG3 . 30606 1 382 . 1 1 35 35 GLN HE21 H 1 8.1310 0.02 . 2 . . . . A 35 GLN HE21 . 30606 1 383 . 1 1 35 35 GLN HE22 H 1 6.0890 0.02 . 2 . . . . A 35 GLN HE22 . 30606 1 384 . 1 1 35 35 GLN C C 13 173.52 0.2 . 1 . . . . A 35 GLN C . 30606 1 385 . 1 1 35 35 GLN CA C 13 54.020 0.2 . 1 . . . . A 35 GLN CA . 30606 1 386 . 1 1 35 35 GLN CB C 13 28.804 0.2 . 1 . . . . A 35 GLN CB . 30606 1 387 . 1 1 35 35 GLN CG C 13 32.581 0.2 . 1 . . . . A 35 GLN CG . 30606 1 388 . 1 1 35 35 GLN N N 15 123.55 0.2 . 1 . . . . A 35 GLN N . 30606 1 389 . 1 1 35 35 GLN NE2 N 15 116.58 0.2 . 1 . . . . A 35 GLN NE2 . 30606 1 390 . 1 1 36 36 SER H H 1 7.7010 0.02 . 1 . . . . A 36 SER H . 30606 1 391 . 1 1 36 36 SER HA H 1 4.4660 0.02 . 1 . . . . A 36 SER HA . 30606 1 392 . 1 1 36 36 SER HB2 H 1 3.5180 0.02 . 2 . . . . A 36 SER HB2 . 30606 1 393 . 1 1 36 36 SER HB3 H 1 3.5180 0.02 . 2 . . . . A 36 SER HB3 . 30606 1 394 . 1 1 36 36 SER HG H 1 5.3460 0.02 . 1 . . . . A 36 SER HG . 30606 1 395 . 1 1 36 36 SER C C 13 172.82 0.2 . 1 . . . . A 36 SER C . 30606 1 396 . 1 1 36 36 SER CA C 13 54.749 0.2 . 1 . . . . A 36 SER CA . 30606 1 397 . 1 1 36 36 SER CB C 13 65.162 0.2 . 1 . . . . A 36 SER CB . 30606 1 398 . 1 1 36 36 SER N N 15 112.88 0.2 . 1 . . . . A 36 SER N . 30606 1 399 . 1 1 37 37 PRO HA H 1 4.3820 0.02 . 1 . . . . A 37 PRO HA . 30606 1 400 . 1 1 37 37 PRO HB2 H 1 2.1800 0.02 . 2 . . . . A 37 PRO HB2 . 30606 1 401 . 1 1 37 37 PRO HB3 H 1 1.2250 0.02 . 2 . . . . A 37 PRO HB3 . 30606 1 402 . 1 1 37 37 PRO HG2 H 1 2.4500 0.02 . 2 . . . . A 37 PRO HG2 . 30606 1 403 . 1 1 37 37 PRO HG3 H 1 1.2790 0.02 . 2 . . . . A 37 PRO HG3 . 30606 1 404 . 1 1 37 37 PRO HD2 H 1 3.2620 0.02 . 2 . . . . A 37 PRO HD2 . 30606 1 405 . 1 1 37 37 PRO HD3 H 1 3.9520 0.02 . 2 . . . . A 37 PRO HD3 . 30606 1 406 . 1 1 37 37 PRO C C 13 176.35 0.2 . 1 . . . . A 37 PRO C . 30606 1 407 . 1 1 37 37 PRO CA C 13 64.110 0.2 . 1 . . . . A 37 PRO CA . 30606 1 408 . 1 1 37 37 PRO CB C 13 33.670 0.2 . 1 . . . . A 37 PRO CB . 30606 1 409 . 1 1 37 37 PRO CG C 13 24.735 0.2 . 1 . . . . A 37 PRO CG . 30606 1 410 . 1 1 37 37 PRO CD C 13 50.050 0.2 . 1 . . . . A 37 PRO CD . 30606 1 411 . 1 1 38 38 HIS H H 1 8.8220 0.02 . 1 . . . . A 38 HIS H . 30606 1 412 . 1 1 38 38 HIS HA H 1 4.8970 0.02 . 1 . . . . A 38 HIS HA . 30606 1 413 . 1 1 38 38 HIS HB2 H 1 3.0370 0.02 . 2 . . . . A 38 HIS HB2 . 30606 1 414 . 1 1 38 38 HIS HB3 H 1 2.8150 0.02 . 2 . . . . A 38 HIS HB3 . 30606 1 415 . 1 1 38 38 HIS HD2 H 1 6.8600 0.02 . 1 . . . . A 38 HIS HD2 . 30606 1 416 . 1 1 38 38 HIS HE1 H 1 8.2340 0.02 . 1 . . . . A 38 HIS HE1 . 30606 1 417 . 1 1 38 38 HIS C C 13 178.14 0.2 . 1 . . . . A 38 HIS C . 30606 1 418 . 1 1 38 38 HIS CA C 13 55.580 0.2 . 1 . . . . A 38 HIS CA . 30606 1 419 . 1 1 38 38 HIS CB C 13 30.421 0.2 . 1 . . . . A 38 HIS CB . 30606 1 420 . 1 1 38 38 HIS CD2 C 13 119.95 0.2 . 1 . . . . A 38 HIS CD2 . 30606 1 421 . 1 1 38 38 HIS CE1 C 13 137.48 0.2 . 1 . . . . A 38 HIS CE1 . 30606 1 422 . 1 1 38 38 HIS N N 15 123.33 0.2 . 1 . . . . A 38 HIS N . 30606 1 423 . 1 1 39 39 ALA H H 1 8.6780 0.02 . 1 . . . . A 39 ALA H . 30606 1 424 . 1 1 39 39 ALA HA H 1 4.4930 0.02 . 1 . . . . A 39 ALA HA . 30606 1 425 . 1 1 39 39 ALA HB1 H 1 1.4270 0.02 . 1 . . . . A 39 ALA HB1 . 30606 1 426 . 1 1 39 39 ALA HB2 H 1 1.4270 0.02 . 1 . . . . A 39 ALA HB2 . 30606 1 427 . 1 1 39 39 ALA HB3 H 1 1.4270 0.02 . 1 . . . . A 39 ALA HB3 . 30606 1 428 . 1 1 39 39 ALA C C 13 178.38 0.2 . 1 . . . . A 39 ALA C . 30606 1 429 . 1 1 39 39 ALA CA C 13 51.440 0.2 . 1 . . . . A 39 ALA CA . 30606 1 430 . 1 1 39 39 ALA CB C 13 18.980 0.2 . 1 . . . . A 39 ALA CB . 30606 1 431 . 1 1 39 39 ALA N N 15 128.16 0.2 . 1 . . . . A 39 ALA N . 30606 1 432 . 1 1 40 40 HIS H H 1 9.2730 0.02 . 1 . . . . A 40 HIS H . 30606 1 433 . 1 1 40 40 HIS HA H 1 4.7340 0.02 . 1 . . . . A 40 HIS HA . 30606 1 434 . 1 1 40 40 HIS HB2 H 1 2.1050 0.02 . 2 . . . . A 40 HIS HB2 . 30606 1 435 . 1 1 40 40 HIS HB3 H 1 3.0990 0.02 . 2 . . . . A 40 HIS HB3 . 30606 1 436 . 1 1 40 40 HIS HD2 H 1 7.1250 0.02 . 1 . . . . A 40 HIS HD2 . 30606 1 437 . 1 1 40 40 HIS HE1 H 1 8.3310 0.02 . 1 . . . . A 40 HIS HE1 . 30606 1 438 . 1 1 40 40 HIS HE2 H 1 10.346 0.02 . 1 . . . . A 40 HIS HE2 . 30606 1 439 . 1 1 40 40 HIS C C 13 175.48 0.2 . 1 . . . . A 40 HIS C . 30606 1 440 . 1 1 40 40 HIS CA C 13 56.141 0.2 . 1 . . . . A 40 HIS CA . 30606 1 441 . 1 1 40 40 HIS CB C 13 35.545 0.2 . 1 . . . . A 40 HIS CB . 30606 1 442 . 1 1 40 40 HIS CD2 C 13 120.12 0.2 . 1 . . . . A 40 HIS CD2 . 30606 1 443 . 1 1 40 40 HIS CE1 C 13 138.99 0.2 . 1 . . . . A 40 HIS CE1 . 30606 1 444 . 1 1 40 40 HIS N N 15 120.94 0.2 . 1 . . . . A 40 HIS N . 30606 1 445 . 1 1 41 41 GLY H H 1 9.1290 0.02 . 1 . . . . A 41 GLY H . 30606 1 446 . 1 1 41 41 GLY HA2 H 1 4.6020 0.02 . 2 . . . . A 41 GLY HA2 . 30606 1 447 . 1 1 41 41 GLY HA3 H 1 3.6710 0.02 . 2 . . . . A 41 GLY HA3 . 30606 1 448 . 1 1 41 41 GLY C C 13 176.41 0.2 . 1 . . . . A 41 GLY C . 30606 1 449 . 1 1 41 41 GLY CA C 13 44.724 0.2 . 1 . . . . A 41 GLY CA . 30606 1 450 . 1 1 41 41 GLY N N 15 106.13 0.2 . 1 . . . . A 41 GLY N . 30606 1 451 . 1 1 42 42 TYR H H 1 11.980 0.02 . 1 . . . . A 42 TYR H . 30606 1 452 . 1 1 42 42 TYR HA H 1 4.6160 0.02 . 1 . . . . A 42 TYR HA . 30606 1 453 . 1 1 42 42 TYR HB2 H 1 3.1790 0.02 . 2 . . . . A 42 TYR HB2 . 30606 1 454 . 1 1 42 42 TYR HB3 H 1 3.866 0.02 . 2 . . . . A 42 TYR HB3 . 30606 1 455 . 1 1 42 42 TYR HD1 H 1 6.8320 0.02 . 3 . . . . A 42 TYR HD1 . 30606 1 456 . 1 1 42 42 TYR HD2 H 1 6.8320 0.02 . 3 . . . . A 42 TYR HD2 . 30606 1 457 . 1 1 42 42 TYR HE1 H 1 6.9860 0.02 . 3 . . . . A 42 TYR HE1 . 30606 1 458 . 1 1 42 42 TYR HE2 H 1 6.9860 0.02 . 3 . . . . A 42 TYR HE2 . 30606 1 459 . 1 1 42 42 TYR C C 13 174.38 0.2 . 1 . . . . A 42 TYR C . 30606 1 460 . 1 1 42 42 TYR CA C 13 57.579 0.2 . 1 . . . . A 42 TYR CA . 30606 1 461 . 1 1 42 42 TYR CB C 13 36.198 0.2 . 1 . . . . A 42 TYR CB . 30606 1 462 . 1 1 42 42 TYR CD1 C 13 133.43 0.2 . 3 . . . . A 42 TYR CD1 . 30606 1 463 . 1 1 42 42 TYR CD2 C 13 133.43 0.2 . 3 . . . . A 42 TYR CD2 . 30606 1 464 . 1 1 42 42 TYR CE1 C 13 117.69 0.2 . 3 . . . . A 42 TYR CE1 . 30606 1 465 . 1 1 42 42 TYR CE2 C 13 117.69 0.2 . 3 . . . . A 42 TYR CE2 . 30606 1 466 . 1 1 42 42 TYR N N 15 133.49 0.2 . 1 . . . . A 42 TYR N . 30606 1 467 . 1 1 43 43 ILE H H 1 7.1200 0.02 . 1 . . . . A 43 ILE H . 30606 1 468 . 1 1 43 43 ILE HA H 1 4.6300 0.02 . 1 . . . . A 43 ILE HA . 30606 1 469 . 1 1 43 43 ILE HB H 1 1.6430 0.02 . 1 . . . . A 43 ILE HB . 30606 1 470 . 1 1 43 43 ILE HG12 H 1 1.4440 0.02 . 2 . . . . A 43 ILE HG12 . 30606 1 471 . 1 1 43 43 ILE HG13 H 1 1.2510 0.02 . 2 . . . . A 43 ILE HG13 . 30606 1 472 . 1 1 43 43 ILE HG21 H 1 1.0040 0.02 . 1 . . . . A 43 ILE HG21 . 30606 1 473 . 1 1 43 43 ILE HG22 H 1 1.0040 0.02 . 1 . . . . A 43 ILE HG22 . 30606 1 474 . 1 1 43 43 ILE HG23 H 1 1.0040 0.02 . 1 . . . . A 43 ILE HG23 . 30606 1 475 . 1 1 43 43 ILE HD11 H 1 0.82900 0.02 . 1 . . . . A 43 ILE HD11 . 30606 1 476 . 1 1 43 43 ILE HD12 H 1 0.82900 0.02 . 1 . . . . A 43 ILE HD12 . 30606 1 477 . 1 1 43 43 ILE HD13 H 1 0.82900 0.02 . 1 . . . . A 43 ILE HD13 . 30606 1 478 . 1 1 43 43 ILE C C 13 177.22 0.2 . 1 . . . . A 43 ILE C . 30606 1 479 . 1 1 43 43 ILE CA C 13 58.201 0.2 . 1 . . . . A 43 ILE CA . 30606 1 480 . 1 1 43 43 ILE CB C 13 38.761 0.2 . 1 . . . . A 43 ILE CB . 30606 1 481 . 1 1 43 43 ILE CG1 C 13 27.801 0.2 . 1 . . . . A 43 ILE CG1 . 30606 1 482 . 1 1 43 43 ILE CG2 C 13 17.446 0.2 . 1 . . . . A 43 ILE CG2 . 30606 1 483 . 1 1 43 43 ILE CD1 C 13 12.023 0.2 . 1 . . . . A 43 ILE CD1 . 30606 1 484 . 1 1 43 43 ILE N N 15 118.88 0.2 . 1 . . . . A 43 ILE N . 30606 1 485 . 1 1 44 44 PRO HA H 1 4.1930 0.02 . 1 . . . . A 44 PRO HA . 30606 1 486 . 1 1 44 44 PRO HB2 H 1 2.1860 0.02 . 2 . . . . A 44 PRO HB2 . 30606 1 487 . 1 1 44 44 PRO HB3 H 1 2.5700 0.02 . 2 . . . . A 44 PRO HB3 . 30606 1 488 . 1 1 44 44 PRO HG2 H 1 1.7530 0.02 . 2 . . . . A 44 PRO HG2 . 30606 1 489 . 1 1 44 44 PRO HG3 H 1 2.2380 0.02 . 2 . . . . A 44 PRO HG3 . 30606 1 490 . 1 1 44 44 PRO HD2 H 1 3.9450 0.02 . 2 . . . . A 44 PRO HD2 . 30606 1 491 . 1 1 44 44 PRO HD3 H 1 3.2520 0.02 . 2 . . . . A 44 PRO HD3 . 30606 1 492 . 1 1 44 44 PRO C C 13 178.78 0.2 . 1 . . . . A 44 PRO C . 30606 1 493 . 1 1 44 44 PRO CA C 13 67.061 0.2 . 1 . . . . A 44 PRO CA . 30606 1 494 . 1 1 44 44 PRO CB C 13 32.267 0.2 . 1 . . . . A 44 PRO CB . 30606 1 495 . 1 1 44 44 PRO CG C 13 26.627 0.2 . 1 . . . . A 44 PRO CG . 30606 1 496 . 1 1 44 44 PRO CD C 13 50.957 0.2 . 1 . . . . A 44 PRO CD . 30606 1 497 . 1 1 45 45 SER H H 1 7.9900 0.02 . 1 . . . . A 45 SER H . 30606 1 498 . 1 1 45 45 SER HA H 1 4.0870 0.02 . 1 . . . . A 45 SER HA . 30606 1 499 . 1 1 45 45 SER HB2 H 1 3.8920 0.02 . 2 . . . . A 45 SER HB2 . 30606 1 500 . 1 1 45 45 SER HB3 H 1 3.8920 0.02 . 2 . . . . A 45 SER HB3 . 30606 1 501 . 1 1 45 45 SER HG H 1 4.8350 0.02 . 1 . . . . A 45 SER HG . 30606 1 502 . 1 1 45 45 SER C C 13 176.00 0.2 . 1 . . . . A 45 SER C . 30606 1 503 . 1 1 45 45 SER CA C 13 60.161 0.2 . 1 . . . . A 45 SER CA . 30606 1 504 . 1 1 45 45 SER CB C 13 62.260 0.2 . 1 . . . . A 45 SER CB . 30606 1 505 . 1 1 45 45 SER N N 15 107.89 0.2 . 1 . . . . A 45 SER N . 30606 1 506 . 1 1 46 46 LYS H H 1 7.7690 0.02 . 1 . . . . A 46 LYS H . 30606 1 507 . 1 1 46 46 LYS HA H 1 3.9650 0.02 . 1 . . . . A 46 LYS HA . 30606 1 508 . 1 1 46 46 LYS HB2 H 1 1.4130 0.02 . 2 . . . . A 46 LYS HB2 . 30606 1 509 . 1 1 46 46 LYS HB3 H 1 1.6310 0.02 . 2 . . . . A 46 LYS HB3 . 30606 1 510 . 1 1 46 46 LYS HG2 H 1 1.1060 0.02 . 2 . . . . A 46 LYS HG2 . 30606 1 511 . 1 1 46 46 LYS HG3 H 1 0.72800 0.02 . 2 . . . . A 46 LYS HG3 . 30606 1 512 . 1 1 46 46 LYS HD2 H 1 1.2300 0.02 . 2 . . . . A 46 LYS HD2 . 30606 1 513 . 1 1 46 46 LYS HD3 H 1 1.2300 0.02 . 2 . . . . A 46 LYS HD3 . 30606 1 514 . 1 1 46 46 LYS HE2 H 1 2.8230 0.02 . 2 . . . . A 46 LYS HE2 . 30606 1 515 . 1 1 46 46 LYS HE3 H 1 2.8230 0.02 . 2 . . . . A 46 LYS HE3 . 30606 1 516 . 1 1 46 46 LYS C C 13 175.83 0.2 . 1 . . . . A 46 LYS C . 30606 1 517 . 1 1 46 46 LYS CA C 13 57.349 0.2 . 1 . . . . A 46 LYS CA . 30606 1 518 . 1 1 46 46 LYS CB C 13 33.283 0.2 . 1 . . . . A 46 LYS CB . 30606 1 519 . 1 1 46 46 LYS CG C 13 25.054 0.2 . 1 . . . . A 46 LYS CG . 30606 1 520 . 1 1 46 46 LYS CD C 13 29.227 0.2 . 1 . . . . A 46 LYS CD . 30606 1 521 . 1 1 46 46 LYS CE C 13 43.464 0.2 . 1 . . . . A 46 LYS CE . 30606 1 522 . 1 1 46 46 LYS N N 15 121.94 0.2 . 1 . . . . A 46 LYS N . 30606 1 523 . 1 1 47 47 PHE H H 1 7.0180 0.02 . 1 . . . . A 47 PHE H . 30606 1 524 . 1 1 47 47 PHE HA H 1 5.2440 0.02 . 1 . . . . A 47 PHE HA . 30606 1 525 . 1 1 47 47 PHE HB2 H 1 3.0630 0.02 . 2 . . . . A 47 PHE HB2 . 30606 1 526 . 1 1 47 47 PHE HB3 H 1 2.7010 0.02 . 2 . . . . A 47 PHE HB3 . 30606 1 527 . 1 1 47 47 PHE HD1 H 1 7.2250 0.02 . 3 . . . . A 47 PHE HD1 . 30606 1 528 . 1 1 47 47 PHE HD2 H 1 7.2250 0.02 . 3 . . . . A 47 PHE HD2 . 30606 1 529 . 1 1 47 47 PHE HE1 H 1 7.5260 0.02 . 3 . . . . A 47 PHE HE1 . 30606 1 530 . 1 1 47 47 PHE HE2 H 1 7.5260 0.02 . 3 . . . . A 47 PHE HE2 . 30606 1 531 . 1 1 47 47 PHE HZ H 1 7.0180 0.02 . 1 . . . . A 47 PHE HZ . 30606 1 532 . 1 1 47 47 PHE C C 13 174.79 0.2 . 1 . . . . A 47 PHE C . 30606 1 533 . 1 1 47 47 PHE CA C 13 54.142 0.2 . 1 . . . . A 47 PHE CA . 30606 1 534 . 1 1 47 47 PHE CB C 13 39.434 0.2 . 1 . . . . A 47 PHE CB . 30606 1 535 . 1 1 47 47 PHE CD1 C 13 132.48 0.2 . 3 . . . . A 47 PHE CD1 . 30606 1 536 . 1 1 47 47 PHE CD2 C 13 132.48 0.2 . 3 . . . . A 47 PHE CD2 . 30606 1 537 . 1 1 47 47 PHE CE1 C 13 130.98 0.2 . 3 . . . . A 47 PHE CE1 . 30606 1 538 . 1 1 47 47 PHE CE2 C 13 130.98 0.2 . 3 . . . . A 47 PHE CE2 . 30606 1 539 . 1 1 47 47 PHE N N 15 115.39 0.2 . 1 . . . . A 47 PHE N . 30606 1 540 . 1 1 48 48 PRO HA H 1 4.4720 0.02 . 1 . . . . A 48 PRO HA . 30606 1 541 . 1 1 48 48 PRO HB2 H 1 2.2550 0.02 . 2 . . . . A 48 PRO HB2 . 30606 1 542 . 1 1 48 48 PRO HB3 H 1 2.0560 0.02 . 2 . . . . A 48 PRO HB3 . 30606 1 543 . 1 1 48 48 PRO HG2 H 1 1.9810 0.02 . 2 . . . . A 48 PRO HG2 . 30606 1 544 . 1 1 48 48 PRO HG3 H 1 1.4560 0.02 . 2 . . . . A 48 PRO HG3 . 30606 1 545 . 1 1 48 48 PRO HD2 H 1 3.2880 0.02 . 2 . . . . A 48 PRO HD2 . 30606 1 546 . 1 1 48 48 PRO HD3 H 1 3.6120 0.02 . 2 . . . . A 48 PRO HD3 . 30606 1 547 . 1 1 48 48 PRO C C 13 177.68 0.2 . 1 . . . . A 48 PRO C . 30606 1 548 . 1 1 48 48 PRO CA C 13 65.513 0.2 . 1 . . . . A 48 PRO CA . 30606 1 549 . 1 1 48 48 PRO CB C 13 31.712 0.2 . 1 . . . . A 48 PRO CB . 30606 1 550 . 1 1 48 48 PRO CG C 13 28.865 0.2 . 1 . . . . A 48 PRO CG . 30606 1 551 . 1 1 48 48 PRO CD C 13 50.690 0.2 . 1 . . . . A 48 PRO CD . 30606 1 552 . 1 1 49 49 ASN H H 1 8.5640 0.02 . 1 . . . . A 49 ASN H . 30606 1 553 . 1 1 49 49 ASN HA H 1 4.8180 0.02 . 1 . . . . A 49 ASN HA . 30606 1 554 . 1 1 49 49 ASN HB2 H 1 3.0490 0.02 . 2 . . . . A 49 ASN HB2 . 30606 1 555 . 1 1 49 49 ASN HB3 H 1 2.9220 0.02 . 2 . . . . A 49 ASN HB3 . 30606 1 556 . 1 1 49 49 ASN HD21 H 1 7.6680 0.02 . 2 . . . . A 49 ASN HD21 . 30606 1 557 . 1 1 49 49 ASN HD22 H 1 7.0250 0.02 . 2 . . . . A 49 ASN HD22 . 30606 1 558 . 1 1 49 49 ASN C C 13 175.71 0.2 . 1 . . . . A 49 ASN C . 30606 1 559 . 1 1 49 49 ASN CA C 13 53.372 0.2 . 1 . . . . A 49 ASN CA . 30606 1 560 . 1 1 49 49 ASN CB C 13 37.351 0.2 . 1 . . . . A 49 ASN CB . 30606 1 561 . 1 1 49 49 ASN N N 15 114.69 0.2 . 1 . . . . A 49 ASN N . 30606 1 562 . 1 1 49 49 ASN ND2 N 15 112.46 0.2 . 1 . . . . A 49 ASN ND2 . 30606 1 563 . 1 1 50 50 LYS H H 1 7.6270 0.02 . 1 . . . . A 50 LYS H . 30606 1 564 . 1 1 50 50 LYS HA H 1 4.4800 0.02 . 1 . . . . A 50 LYS HA . 30606 1 565 . 1 1 50 50 LYS HB2 H 1 1.5640 0.02 . 2 . . . . A 50 LYS HB2 . 30606 1 566 . 1 1 50 50 LYS HB3 H 1 1.8980 0.02 . 2 . . . . A 50 LYS HB3 . 30606 1 567 . 1 1 50 50 LYS HG2 H 1 1.2600 0.02 . 2 . . . . A 50 LYS HG2 . 30606 1 568 . 1 1 50 50 LYS HG3 H 1 1.2600 0.02 . 2 . . . . A 50 LYS HG3 . 30606 1 569 . 1 1 50 50 LYS HD2 H 1 1.6240 0.02 . 2 . . . . A 50 LYS HD2 . 30606 1 570 . 1 1 50 50 LYS HD3 H 1 1.6240 0.02 . 2 . . . . A 50 LYS HD3 . 30606 1 571 . 1 1 50 50 LYS HE2 H 1 3.0620 0.02 . 2 . . . . A 50 LYS HE2 . 30606 1 572 . 1 1 50 50 LYS HE3 H 1 2.9550 0.02 . 2 . . . . A 50 LYS HE3 . 30606 1 573 . 1 1 50 50 LYS C C 13 175.08 0.2 . 1 . . . . A 50 LYS C . 30606 1 574 . 1 1 50 50 LYS CA C 13 53.336 0.2 . 1 . . . . A 50 LYS CA . 30606 1 575 . 1 1 50 50 LYS CB C 13 31.284 0.2 . 1 . . . . A 50 LYS CB . 30606 1 576 . 1 1 50 50 LYS CG C 13 25.079 0.2 . 1 . . . . A 50 LYS CG . 30606 1 577 . 1 1 50 50 LYS CD C 13 28.650 0.2 . 1 . . . . A 50 LYS CD . 30606 1 578 . 1 1 50 50 LYS CE C 13 42.179 0.2 . 1 . . . . A 50 LYS CE . 30606 1 579 . 1 1 50 50 LYS N N 15 116.22 0.2 . 1 . . . . A 50 LYS N . 30606 1 580 . 1 1 51 51 ASN H H 1 8.1160 0.02 . 1 . . . . A 51 ASN H . 30606 1 581 . 1 1 51 51 ASN HA H 1 4.3040 0.02 . 1 . . . . A 51 ASN HA . 30606 1 582 . 1 1 51 51 ASN HB2 H 1 3.1340 0.02 . 2 . . . . A 51 ASN HB2 . 30606 1 583 . 1 1 51 51 ASN HB3 H 1 2.8530 0.02 . 2 . . . . A 51 ASN HB3 . 30606 1 584 . 1 1 51 51 ASN HD21 H 1 7.8180 0.02 . 2 . . . . A 51 ASN HD21 . 30606 1 585 . 1 1 51 51 ASN HD22 H 1 6.8330 0.02 . 2 . . . . A 51 ASN HD22 . 30606 1 586 . 1 1 51 51 ASN C C 13 175.20 0.2 . 1 . . . . A 51 ASN C . 30606 1 587 . 1 1 51 51 ASN CA C 13 54.089 0.2 . 1 . . . . A 51 ASN CA . 30606 1 588 . 1 1 51 51 ASN CB C 13 36.504 0.2 . 1 . . . . A 51 ASN CB . 30606 1 589 . 1 1 51 51 ASN N N 15 116.44 0.2 . 1 . . . . A 51 ASN N . 30606 1 590 . 1 1 51 51 ASN ND2 N 15 113.50 0.2 . 1 . . . . A 51 ASN ND2 . 30606 1 591 . 1 1 52 52 LEU H H 1 8.7960 0.02 . 1 . . . . A 52 LEU H . 30606 1 592 . 1 1 52 52 LEU HA H 1 3.4120 0.02 . 1 . . . . A 52 LEU HA . 30606 1 593 . 1 1 52 52 LEU HB2 H 1 1.3780 0.02 . 2 . . . . A 52 LEU HB2 . 30606 1 594 . 1 1 52 52 LEU HB3 H 1 1.7220 0.02 . 2 . . . . A 52 LEU HB3 . 30606 1 595 . 1 1 52 52 LEU HG H 1 1.0800 0.02 . 1 . . . . A 52 LEU HG . 30606 1 596 . 1 1 52 52 LEU HD11 H 1 -0.83300 0.02 . 2 . . . . A 52 LEU HD11 . 30606 1 597 . 1 1 52 52 LEU HD12 H 1 -0.83300 0.02 . 2 . . . . A 52 LEU HD12 . 30606 1 598 . 1 1 52 52 LEU HD13 H 1 -0.83300 0.02 . 2 . . . . A 52 LEU HD13 . 30606 1 599 . 1 1 52 52 LEU HD21 H 1 0.65300 0.02 . 2 . . . . A 52 LEU HD21 . 30606 1 600 . 1 1 52 52 LEU HD22 H 1 0.65300 0.02 . 2 . . . . A 52 LEU HD22 . 30606 1 601 . 1 1 52 52 LEU HD23 H 1 0.65300 0.02 . 2 . . . . A 52 LEU HD23 . 30606 1 602 . 1 1 52 52 LEU C C 13 174.67 0.2 . 1 . . . . A 52 LEU C . 30606 1 603 . 1 1 52 52 LEU CA C 13 53.983 0.2 . 1 . . . . A 52 LEU CA . 30606 1 604 . 1 1 52 52 LEU CB C 13 42.471 0.2 . 1 . . . . A 52 LEU CB . 30606 1 605 . 1 1 52 52 LEU CG C 13 25.766 0.2 . 1 . . . . A 52 LEU CG . 30606 1 606 . 1 1 52 52 LEU CD1 C 13 19.460 0.2 . 2 . . . . A 52 LEU CD1 . 30606 1 607 . 1 1 52 52 LEU CD2 C 13 25.400 0.2 . 2 . . . . A 52 LEU CD2 . 30606 1 608 . 1 1 52 52 LEU N N 15 121.73 0.2 . 1 . . . . A 52 LEU N . 30606 1 609 . 1 1 53 53 LYS H H 1 7.0990 0.02 . 1 . . . . A 53 LYS H . 30606 1 610 . 1 1 53 53 LYS HA H 1 4.3240 0.02 . 1 . . . . A 53 LYS HA . 30606 1 611 . 1 1 53 53 LYS HB2 H 1 1.6490 0.02 . 2 . . . . A 53 LYS HB2 . 30606 1 612 . 1 1 53 53 LYS HB3 H 1 1.7720 0.02 . 2 . . . . A 53 LYS HB3 . 30606 1 613 . 1 1 53 53 LYS HG2 H 1 1.4000 0.02 . 2 . . . . A 53 LYS HG2 . 30606 1 614 . 1 1 53 53 LYS HG3 H 1 1.2700 0.02 . 2 . . . . A 53 LYS HG3 . 30606 1 615 . 1 1 53 53 LYS HD2 H 1 1.7250 0.02 . 2 . . . . A 53 LYS HD2 . 30606 1 616 . 1 1 53 53 LYS HD3 H 1 1.7250 0.02 . 2 . . . . A 53 LYS HD3 . 30606 1 617 . 1 1 53 53 LYS HE2 H 1 2.9890 0.02 . 2 . . . . A 53 LYS HE2 . 30606 1 618 . 1 1 53 53 LYS HE3 H 1 2.9890 0.02 . 2 . . . . A 53 LYS HE3 . 30606 1 619 . 1 1 53 53 LYS C C 13 173.46 0.2 . 1 . . . . A 53 LYS C . 30606 1 620 . 1 1 53 53 LYS CA C 13 54.843 0.2 . 1 . . . . A 53 LYS CA . 30606 1 621 . 1 1 53 53 LYS CB C 13 36.395 0.2 . 1 . . . . A 53 LYS CB . 30606 1 622 . 1 1 53 53 LYS CG C 13 25.127 0.2 . 1 . . . . A 53 LYS CG . 30606 1 623 . 1 1 53 53 LYS CD C 13 29.795 0.2 . 1 . . . . A 53 LYS CD . 30606 1 624 . 1 1 53 53 LYS CE C 13 42.327 0.2 . 1 . . . . A 53 LYS CE . 30606 1 625 . 1 1 53 53 LYS N N 15 124.40 0.2 . 1 . . . . A 53 LYS N . 30606 1 626 . 1 1 54 54 LYS H H 1 8.8050 0.02 . 1 . . . . A 54 LYS H . 30606 1 627 . 1 1 54 54 LYS HA H 1 3.6920 0.02 . 1 . . . . A 54 LYS HA . 30606 1 628 . 1 1 54 54 LYS HB2 H 1 1.1430 0.02 . 2 . . . . A 54 LYS HB2 . 30606 1 629 . 1 1 54 54 LYS HB3 H 1 1.143 0.02 . 2 . . . . A 54 LYS HB3 . 30606 1 630 . 1 1 54 54 LYS HG2 H 1 1.3550 0.02 . 2 . . . . A 54 LYS HG2 . 30606 1 631 . 1 1 54 54 LYS HG3 H 1 1.3970 0.02 . 2 . . . . A 54 LYS HG3 . 30606 1 632 . 1 1 54 54 LYS HD2 H 1 1.6700 0.02 . 2 . . . . A 54 LYS HD2 . 30606 1 633 . 1 1 54 54 LYS HD3 H 1 1.6700 0.02 . 2 . . . . A 54 LYS HD3 . 30606 1 634 . 1 1 54 54 LYS HE2 H 1 2.9830 0.02 . 2 . . . . A 54 LYS HE2 . 30606 1 635 . 1 1 54 54 LYS HE3 H 1 2.9830 0.02 . 2 . . . . A 54 LYS HE3 . 30606 1 636 . 1 1 54 54 LYS C C 13 173.34 0.2 . 1 . . . . A 54 LYS C . 30606 1 637 . 1 1 54 54 LYS CA C 13 56.366 0.2 . 1 . . . . A 54 LYS CA . 30606 1 638 . 1 1 54 54 LYS CB C 13 29.830 0.2 . 1 . . . . A 54 LYS CB . 30606 1 639 . 1 1 54 54 LYS CG C 13 24.979 0.2 . 1 . . . . A 54 LYS CG . 30606 1 640 . 1 1 54 54 LYS CD C 13 28.670 0.2 . 1 . . . . A 54 LYS CD . 30606 1 641 . 1 1 54 54 LYS CE C 13 42.986 0.2 . 1 . . . . A 54 LYS CE . 30606 1 642 . 1 1 54 54 LYS N N 15 118.13 0.2 . 1 . . . . A 54 LYS N . 30606 1 643 . 1 1 55 55 ASN H H 1 7.5660 0.02 . 1 . . . . A 55 ASN H . 30606 1 644 . 1 1 55 55 ASN HA H 1 4.6430 0.02 . 1 . . . . A 55 ASN HA . 30606 1 645 . 1 1 55 55 ASN HB2 H 1 1.8970 0.02 . 2 . . . . A 55 ASN HB2 . 30606 1 646 . 1 1 55 55 ASN HB3 H 1 2.4470 0.02 . 2 . . . . A 55 ASN HB3 . 30606 1 647 . 1 1 55 55 ASN HD21 H 1 7.7150 0.02 . 2 . . . . A 55 ASN HD21 . 30606 1 648 . 1 1 55 55 ASN HD22 H 1 7.2140 0.02 . 2 . . . . A 55 ASN HD22 . 30606 1 649 . 1 1 55 55 ASN C C 13 172.19 0.2 . 1 . . . . A 55 ASN C . 30606 1 650 . 1 1 55 55 ASN CA C 13 51.091 0.2 . 1 . . . . A 55 ASN CA . 30606 1 651 . 1 1 55 55 ASN CB C 13 37.234 0.2 . 1 . . . . A 55 ASN CB . 30606 1 652 . 1 1 55 55 ASN N N 15 123.79 0.2 . 1 . . . . A 55 ASN N . 30606 1 653 . 1 1 55 55 ASN ND2 N 15 111.06 0.2 . 1 . . . . A 55 ASN ND2 . 30606 1 654 . 1 1 56 56 TYR H H 1 7.5880 0.02 . 1 . . . . A 56 TYR H . 30606 1 655 . 1 1 56 56 TYR HA H 1 4.8920 0.02 . 1 . . . . A 56 TYR HA . 30606 1 656 . 1 1 56 56 TYR HB2 H 1 3.3280 0.02 . 2 . . . . A 56 TYR HB2 . 30606 1 657 . 1 1 56 56 TYR HB3 H 1 2.8210 0.02 . 2 . . . . A 56 TYR HB3 . 30606 1 658 . 1 1 56 56 TYR HD1 H 1 6.8780 0.02 . 3 . . . . A 56 TYR HD1 . 30606 1 659 . 1 1 56 56 TYR HD2 H 1 6.8780 0.02 . 3 . . . . A 56 TYR HD2 . 30606 1 660 . 1 1 56 56 TYR HE1 H 1 6.8340 0.02 . 3 . . . . A 56 TYR HE1 . 30606 1 661 . 1 1 56 56 TYR HE2 H 1 6.8340 0.02 . 3 . . . . A 56 TYR HE2 . 30606 1 662 . 1 1 56 56 TYR C C 13 177.28 0.2 . 1 . . . . A 56 TYR C . 30606 1 663 . 1 1 56 56 TYR CA C 13 54.447 0.2 . 1 . . . . A 56 TYR CA . 30606 1 664 . 1 1 56 56 TYR CB C 13 38.633 0.2 . 1 . . . . A 56 TYR CB . 30606 1 665 . 1 1 56 56 TYR CD1 C 13 132.72 0.2 . 3 . . . . A 56 TYR CD1 . 30606 1 666 . 1 1 56 56 TYR CD2 C 13 132.72 0.2 . 3 . . . . A 56 TYR CD2 . 30606 1 667 . 1 1 56 56 TYR CE1 C 13 117.48 0.2 . 3 . . . . A 56 TYR CE1 . 30606 1 668 . 1 1 56 56 TYR CE2 C 13 117.48 0.2 . 3 . . . . A 56 TYR CE2 . 30606 1 669 . 1 1 56 56 TYR N N 15 115.18 0.2 . 1 . . . . A 56 TYR N . 30606 1 670 . 1 1 57 57 CYS H H 1 9.1500 0.02 . 1 . . . . A 57 CYS H . 30606 1 671 . 1 1 57 57 CYS HA H 1 4.3980 0.02 . 1 . . . . A 57 CYS HA . 30606 1 672 . 1 1 57 57 CYS HB2 H 1 3.4180 0.02 . 2 . . . . A 57 CYS HB2 . 30606 1 673 . 1 1 57 57 CYS HB3 H 1 2.4040 0.02 . 2 . . . . A 57 CYS HB3 . 30606 1 674 . 1 1 57 57 CYS C C 13 175.60 0.2 . 1 . . . . A 57 CYS C . 30606 1 675 . 1 1 57 57 CYS CA C 13 59.824 0.2 . 1 . . . . A 57 CYS CA . 30606 1 676 . 1 1 57 57 CYS CB C 13 48.356 0.2 . 1 . . . . A 57 CYS CB . 30606 1 677 . 1 1 57 57 CYS N N 15 119.17 0.2 . 1 . . . . A 57 CYS N . 30606 1 678 . 1 1 58 58 ARG H H 1 9.1260 0.02 . 1 . . . . A 58 ARG H . 30606 1 679 . 1 1 58 58 ARG HA H 1 4.9180 0.02 . 1 . . . . A 58 ARG HA . 30606 1 680 . 1 1 58 58 ARG HB2 H 1 1.4840 0.02 . 2 . . . . A 58 ARG HB2 . 30606 1 681 . 1 1 58 58 ARG HB3 H 1 1.3420 0.02 . 2 . . . . A 58 ARG HB3 . 30606 1 682 . 1 1 58 58 ARG HG2 H 1 1.8850 0.02 . 2 . . . . A 58 ARG HG2 . 30606 1 683 . 1 1 58 58 ARG HG3 H 1 1.6540 0.02 . 2 . . . . A 58 ARG HG3 . 30606 1 684 . 1 1 58 58 ARG HD2 H 1 3.6570 0.02 . 2 . . . . A 58 ARG HD2 . 30606 1 685 . 1 1 58 58 ARG HD3 H 1 3.0350 0.02 . 2 . . . . A 58 ARG HD3 . 30606 1 686 . 1 1 58 58 ARG HE H 1 8.0110 0.02 . 1 . . . . A 58 ARG HE . 30606 1 687 . 1 1 58 58 ARG C C 13 173.58 0.2 . 1 . . . . A 58 ARG C . 30606 1 688 . 1 1 58 58 ARG CA C 13 53.187 0.2 . 1 . . . . A 58 ARG CA . 30606 1 689 . 1 1 58 58 ARG CB C 13 29.412 0.2 . 1 . . . . A 58 ARG CB . 30606 1 690 . 1 1 58 58 ARG CG C 13 27.470 0.2 . 1 . . . . A 58 ARG CG . 30606 1 691 . 1 1 58 58 ARG CD C 13 43.453 0.2 . 1 . . . . A 58 ARG CD . 30606 1 692 . 1 1 58 58 ARG N N 15 122.73 0.2 . 1 . . . . A 58 ARG N . 30606 1 693 . 1 1 58 58 ARG NE N 15 88.964 0.2 . 1 . . . . A 58 ARG NE . 30606 1 694 . 1 1 59 59 ASN H H 1 8.8420 0.02 . 1 . . . . A 59 ASN H . 30606 1 695 . 1 1 59 59 ASN HA H 1 5.5130 0.02 . 1 . . . . A 59 ASN HA . 30606 1 696 . 1 1 59 59 ASN HB2 H 1 3.0790 0.02 . 2 . . . . A 59 ASN HB2 . 30606 1 697 . 1 1 59 59 ASN HB3 H 1 1.9160 0.02 . 2 . . . . A 59 ASN HB3 . 30606 1 698 . 1 1 59 59 ASN HD21 H 1 6.8950 0.02 . 2 . . . . A 59 ASN HD21 . 30606 1 699 . 1 1 59 59 ASN HD22 H 1 6.6470 0.02 . 2 . . . . A 59 ASN HD22 . 30606 1 700 . 1 1 59 59 ASN C C 13 172.82 0.2 . 1 . . . . A 59 ASN C . 30606 1 701 . 1 1 59 59 ASN CA C 13 53.176 0.2 . 1 . . . . A 59 ASN CA . 30606 1 702 . 1 1 59 59 ASN CB C 13 37.237 0.2 . 1 . . . . A 59 ASN CB . 30606 1 703 . 1 1 59 59 ASN N N 15 113.42 0.2 . 1 . . . . A 59 ASN N . 30606 1 704 . 1 1 59 59 ASN ND2 N 15 104.20 0.2 . 1 . . . . A 59 ASN ND2 . 30606 1 705 . 1 1 60 60 PRO HA H 1 4.7120 0.02 . 1 . . . . A 60 PRO HA . 30606 1 706 . 1 1 60 60 PRO HB2 H 1 1.6610 0.02 . 2 . . . . A 60 PRO HB2 . 30606 1 707 . 1 1 60 60 PRO HB3 H 1 1.7610 0.02 . 2 . . . . A 60 PRO HB3 . 30606 1 708 . 1 1 60 60 PRO HG2 H 1 1.8900 0.02 . 2 . . . . A 60 PRO HG2 . 30606 1 709 . 1 1 60 60 PRO HG3 H 1 1.4800 0.02 . 2 . . . . A 60 PRO HG3 . 30606 1 710 . 1 1 60 60 PRO HD2 H 1 3.8900 0.02 . 2 . . . . A 60 PRO HD2 . 30606 1 711 . 1 1 60 60 PRO HD3 H 1 2.6250 0.02 . 2 . . . . A 60 PRO HD3 . 30606 1 712 . 1 1 60 60 PRO C C 13 175.71 0.2 . 1 . . . . A 60 PRO C . 30606 1 713 . 1 1 60 60 PRO CA C 13 63.643 0.2 . 1 . . . . A 60 PRO CA . 30606 1 714 . 1 1 60 60 PRO CB C 13 32.507 0.2 . 1 . . . . A 60 PRO CB . 30606 1 715 . 1 1 60 60 PRO CG C 13 26.896 0.2 . 1 . . . . A 60 PRO CG . 30606 1 716 . 1 1 60 60 PRO CD C 13 51.520 0.2 . 1 . . . . A 60 PRO CD . 30606 1 717 . 1 1 61 61 ASP H H 1 8.9070 0.02 . 1 . . . . A 61 ASP H . 30606 1 718 . 1 1 61 61 ASP HA H 1 4.4950 0.02 . 1 . . . . A 61 ASP HA . 30606 1 719 . 1 1 61 61 ASP HB2 H 1 3.1220 0.02 . 2 . . . . A 61 ASP HB2 . 30606 1 720 . 1 1 61 61 ASP HB3 H 1 2.2980 0.02 . 2 . . . . A 61 ASP HB3 . 30606 1 721 . 1 1 61 61 ASP C C 13 174.85 0.2 . 1 . . . . A 61 ASP C . 30606 1 722 . 1 1 61 61 ASP CA C 13 51.953 0.2 . 1 . . . . A 61 ASP CA . 30606 1 723 . 1 1 61 61 ASP CB C 13 42.092 0.2 . 1 . . . . A 61 ASP CB . 30606 1 724 . 1 1 61 61 ASP N N 15 118.65 0.2 . 1 . . . . A 61 ASP N . 30606 1 725 . 1 1 62 62 ARG H H 1 8.4040 0.02 . 1 . . . . A 62 ARG H . 30606 1 726 . 1 1 62 62 ARG HA H 1 3.7890 0.02 . 1 . . . . A 62 ARG HA . 30606 1 727 . 1 1 62 62 ARG HB2 H 1 1.8760 0.02 . 2 . . . . A 62 ARG HB2 . 30606 1 728 . 1 1 62 62 ARG HB3 H 1 1.9260 0.02 . 2 . . . . A 62 ARG HB3 . 30606 1 729 . 1 1 62 62 ARG HG2 H 1 1.4950 0.02 . 2 . . . . A 62 ARG HG2 . 30606 1 730 . 1 1 62 62 ARG HG3 H 1 1.4950 0.02 . 2 . . . . A 62 ARG HG3 . 30606 1 731 . 1 1 62 62 ARG HD2 H 1 3.1660 0.02 . 2 . . . . A 62 ARG HD2 . 30606 1 732 . 1 1 62 62 ARG HD3 H 1 3.1660 0.02 . 2 . . . . A 62 ARG HD3 . 30606 1 733 . 1 1 62 62 ARG HE H 1 7.2590 0.02 . 1 . . . . A 62 ARG HE . 30606 1 734 . 1 1 62 62 ARG C C 13 176.24 0.2 . 1 . . . . A 62 ARG C . 30606 1 735 . 1 1 62 62 ARG CA C 13 57.318 0.2 . 1 . . . . A 62 ARG CA . 30606 1 736 . 1 1 62 62 ARG CB C 13 26.990 0.2 . 1 . . . . A 62 ARG CB . 30606 1 737 . 1 1 62 62 ARG CG C 13 27.921 0.2 . 1 . . . . A 62 ARG CG . 30606 1 738 . 1 1 62 62 ARG CD C 13 43.792 0.2 . 1 . . . . A 62 ARG CD . 30606 1 739 . 1 1 62 62 ARG N N 15 115.89 0.2 . 1 . . . . A 62 ARG N . 30606 1 740 . 1 1 62 62 ARG NE N 15 85.559 0.2 . 1 . . . . A 62 ARG NE . 30606 1 741 . 1 1 63 63 ASP H H 1 9.7180 0.02 . 1 . . . . A 63 ASP H . 30606 1 742 . 1 1 63 63 ASP HA H 1 4.7690 0.02 . 1 . . . . A 63 ASP HA . 30606 1 743 . 1 1 63 63 ASP HB2 H 1 3.2790 0.02 . 2 . . . . A 63 ASP HB2 . 30606 1 744 . 1 1 63 63 ASP HB3 H 1 2.9260 0.02 . 2 . . . . A 63 ASP HB3 . 30606 1 745 . 1 1 63 63 ASP C C 13 177.33 0.2 . 1 . . . . A 63 ASP C . 30606 1 746 . 1 1 63 63 ASP CA C 13 51.973 0.2 . 1 . . . . A 63 ASP CA . 30606 1 747 . 1 1 63 63 ASP CB C 13 42.698 0.2 . 1 . . . . A 63 ASP CB . 30606 1 748 . 1 1 63 63 ASP N N 15 121.75 0.2 . 1 . . . . A 63 ASP N . 30606 1 749 . 1 1 64 64 LEU H H 1 11.020 0.02 . 1 . . . . A 64 LEU H . 30606 1 750 . 1 1 64 64 LEU HA H 1 3.9950 0.02 . 1 . . . . A 64 LEU HA . 30606 1 751 . 1 1 64 64 LEU HB2 H 1 1.3900 0.02 . 2 . . . . A 64 LEU HB2 . 30606 1 752 . 1 1 64 64 LEU HB3 H 1 1.4160 0.02 . 2 . . . . A 64 LEU HB3 . 30606 1 753 . 1 1 64 64 LEU HG H 1 1.8410 0.02 . 1 . . . . A 64 LEU HG . 30606 1 754 . 1 1 64 64 LEU HD11 H 1 0.95400 0.02 . 2 . . . . A 64 LEU HD11 . 30606 1 755 . 1 1 64 64 LEU HD12 H 1 0.95400 0.02 . 2 . . . . A 64 LEU HD12 . 30606 1 756 . 1 1 64 64 LEU HD13 H 1 0.95400 0.02 . 2 . . . . A 64 LEU HD13 . 30606 1 757 . 1 1 64 64 LEU HD21 H 1 0.89900 0.02 . 2 . . . . A 64 LEU HD21 . 30606 1 758 . 1 1 64 64 LEU HD22 H 1 0.89900 0.02 . 2 . . . . A 64 LEU HD22 . 30606 1 759 . 1 1 64 64 LEU HD23 H 1 0.89900 0.02 . 2 . . . . A 64 LEU HD23 . 30606 1 760 . 1 1 64 64 LEU C C 13 176.47 0.2 . 1 . . . . A 64 LEU C . 30606 1 761 . 1 1 64 64 LEU CA C 13 57.772 0.2 . 1 . . . . A 64 LEU CA . 30606 1 762 . 1 1 64 64 LEU CB C 13 43.630 0.2 . 1 . . . . A 64 LEU CB . 30606 1 763 . 1 1 64 64 LEU CG C 13 27.468 0.2 . 1 . . . . A 64 LEU CG . 30606 1 764 . 1 1 64 64 LEU CD1 C 13 25.238 0.2 . 2 . . . . A 64 LEU CD1 . 30606 1 765 . 1 1 64 64 LEU CD2 C 13 23.020 0.2 . 2 . . . . A 64 LEU CD2 . 30606 1 766 . 1 1 64 64 LEU N N 15 122.00 0.2 . 1 . . . . A 64 LEU N . 30606 1 767 . 1 1 65 65 ARG H H 1 7.6390 0.02 . 1 . . . . A 65 ARG H . 30606 1 768 . 1 1 65 65 ARG HA H 1 5.0060 0.02 . 1 . . . . A 65 ARG HA . 30606 1 769 . 1 1 65 65 ARG HB2 H 1 2.0970 0.02 . 2 . . . . A 65 ARG HB2 . 30606 1 770 . 1 1 65 65 ARG HB3 H 1 1.8080 0.02 . 2 . . . . A 65 ARG HB3 . 30606 1 771 . 1 1 65 65 ARG HG2 H 1 1.2170 0.02 . 2 . . . . A 65 ARG HG2 . 30606 1 772 . 1 1 65 65 ARG HG3 H 1 1.5450 0.02 . 2 . . . . A 65 ARG HG3 . 30606 1 773 . 1 1 65 65 ARG HD2 H 1 3.4610 0.02 . 2 . . . . A 65 ARG HD2 . 30606 1 774 . 1 1 65 65 ARG HD3 H 1 3.0850 0.02 . 2 . . . . A 65 ARG HD3 . 30606 1 775 . 1 1 65 65 ARG HE H 1 7.2890 0.02 . 1 . . . . A 65 ARG HE . 30606 1 776 . 1 1 65 65 ARG C C 13 172.13 0.2 . 1 . . . . A 65 ARG C . 30606 1 777 . 1 1 65 65 ARG CA C 13 53.368 0.2 . 1 . . . . A 65 ARG CA . 30606 1 778 . 1 1 65 65 ARG CB C 13 28.429 0.2 . 1 . . . . A 65 ARG CB . 30606 1 779 . 1 1 65 65 ARG CG C 13 26.235 0.2 . 1 . . . . A 65 ARG CG . 30606 1 780 . 1 1 65 65 ARG CD C 13 43.126 0.2 . 1 . . . . A 65 ARG CD . 30606 1 781 . 1 1 65 65 ARG N N 15 108.72 0.2 . 1 . . . . A 65 ARG N . 30606 1 782 . 1 1 65 65 ARG NE N 15 84.823 0.2 . 1 . . . . A 65 ARG NE . 30606 1 783 . 1 1 66 66 PRO HA H 1 4.2810 0.02 . 1 . . . . A 66 PRO HA . 30606 1 784 . 1 1 66 66 PRO HB2 H 1 1.4750 0.02 . 2 . . . . A 66 PRO HB2 . 30606 1 785 . 1 1 66 66 PRO HB3 H 1 1.7680 0.02 . 2 . . . . A 66 PRO HB3 . 30606 1 786 . 1 1 66 66 PRO HG2 H 1 1.9080 0.02 . 2 . . . . A 66 PRO HG2 . 30606 1 787 . 1 1 66 66 PRO HG3 H 1 1.4810 0.02 . 2 . . . . A 66 PRO HG3 . 30606 1 788 . 1 1 66 66 PRO HD2 H 1 3.1150 0.02 . 2 . . . . A 66 PRO HD2 . 30606 1 789 . 1 1 66 66 PRO HD3 H 1 4.0280 0.02 . 2 . . . . A 66 PRO HD3 . 30606 1 790 . 1 1 66 66 PRO C C 13 172.94 0.2 . 1 . . . . A 66 PRO C . 30606 1 791 . 1 1 66 66 PRO CA C 13 63.677 0.2 . 1 . . . . A 66 PRO CA . 30606 1 792 . 1 1 66 66 PRO CB C 13 32.592 0.2 . 1 . . . . A 66 PRO CB . 30606 1 793 . 1 1 66 66 PRO CG C 13 27.875 0.2 . 1 . . . . A 66 PRO CG . 30606 1 794 . 1 1 66 66 PRO CD C 13 50.735 0.2 . 1 . . . . A 66 PRO CD . 30606 1 795 . 1 1 67 67 TRP H H 1 8.7170 0.02 . 1 . . . . A 67 TRP H . 30606 1 796 . 1 1 67 67 TRP HA H 1 5.4060 0.02 . 1 . . . . A 67 TRP HA . 30606 1 797 . 1 1 67 67 TRP HB2 H 1 3.3430 0.02 . 2 . . . . A 67 TRP HB2 . 30606 1 798 . 1 1 67 67 TRP HB3 H 1 3.3430 0.02 . 2 . . . . A 67 TRP HB3 . 30606 1 799 . 1 1 67 67 TRP HD1 H 1 7.7140 0.02 . 1 . . . . A 67 TRP HD1 . 30606 1 800 . 1 1 67 67 TRP HE1 H 1 10.169 0.02 . 1 . . . . A 67 TRP HE1 . 30606 1 801 . 1 1 67 67 TRP HE3 H 1 7.4910 0.02 . 1 . . . . A 67 TRP HE3 . 30606 1 802 . 1 1 67 67 TRP HZ2 H 1 6.7830 0.02 . 1 . . . . A 67 TRP HZ2 . 30606 1 803 . 1 1 67 67 TRP HZ3 H 1 6.6590 0.02 . 1 . . . . A 67 TRP HZ3 . 30606 1 804 . 1 1 67 67 TRP HH2 H 1 7.4060 0.02 . 1 . . . . A 67 TRP HH2 . 30606 1 805 . 1 1 67 67 TRP C C 13 172.92 0.2 . 1 . . . . A 67 TRP C . 30606 1 806 . 1 1 67 67 TRP CA C 13 56.035 0.2 . 1 . . . . A 67 TRP CA . 30606 1 807 . 1 1 67 67 TRP CB C 13 34.026 0.2 . 1 . . . . A 67 TRP CB . 30606 1 808 . 1 1 67 67 TRP CD1 C 13 128.23 0.2 . 1 . . . . A 67 TRP CD1 . 30606 1 809 . 1 1 67 67 TRP CE3 C 13 121.21 0.2 . 1 . . . . A 67 TRP CE3 . 30606 1 810 . 1 1 67 67 TRP CZ2 C 13 116.02 0.2 . 1 . . . . A 67 TRP CZ2 . 30606 1 811 . 1 1 67 67 TRP CZ3 C 13 118.91 0.2 . 1 . . . . A 67 TRP CZ3 . 30606 1 812 . 1 1 67 67 TRP CH2 C 13 123.90 0.2 . 1 . . . . A 67 TRP CH2 . 30606 1 813 . 1 1 67 67 TRP N N 15 121.23 0.2 . 1 . . . . A 67 TRP N . 30606 1 814 . 1 1 67 67 TRP NE1 N 15 129.60 0.2 . 1 . . . . A 67 TRP NE1 . 30606 1 815 . 1 1 68 68 CYS H H 1 8.3660 0.02 . 1 . . . . A 68 CYS H . 30606 1 816 . 1 1 68 68 CYS HA H 1 4.2650 0.02 . 1 . . . . A 68 CYS HA . 30606 1 817 . 1 1 68 68 CYS HB2 H 1 3.3200 0.02 . 2 . . . . A 68 CYS HB2 . 30606 1 818 . 1 1 68 68 CYS HB3 H 1 2.8960 0.02 . 2 . . . . A 68 CYS HB3 . 30606 1 819 . 1 1 68 68 CYS C C 13 175.08 0.2 . 1 . . . . A 68 CYS C . 30606 1 820 . 1 1 68 68 CYS CA C 13 55.876 0.2 . 1 . . . . A 68 CYS CA . 30606 1 821 . 1 1 68 68 CYS CB C 13 42.232 0.2 . 1 . . . . A 68 CYS CB . 30606 1 822 . 1 1 68 68 CYS N N 15 109.50 0.2 . 1 . . . . A 68 CYS N . 30606 1 823 . 1 1 69 69 PHE H H 1 8.0100 0.02 . 1 . . . . A 69 PHE H . 30606 1 824 . 1 1 69 69 PHE HA H 1 5.4200 0.02 . 1 . . . . A 69 PHE HA . 30606 1 825 . 1 1 69 69 PHE HB2 H 1 2.9570 0.02 . 2 . . . . A 69 PHE HB2 . 30606 1 826 . 1 1 69 69 PHE HB3 H 1 2.3630 0.02 . 2 . . . . A 69 PHE HB3 . 30606 1 827 . 1 1 69 69 PHE HD1 H 1 7.1650 0.02 . 3 . . . . A 69 PHE HD1 . 30606 1 828 . 1 1 69 69 PHE HD2 H 1 7.1650 0.02 . 3 . . . . A 69 PHE HD2 . 30606 1 829 . 1 1 69 69 PHE HE1 H 1 7.2600 0.02 . 3 . . . . A 69 PHE HE1 . 30606 1 830 . 1 1 69 69 PHE HE2 H 1 7.2600 0.02 . 3 . . . . A 69 PHE HE2 . 30606 1 831 . 1 1 69 69 PHE HZ H 1 7.4850 0.02 . 1 . . . . A 69 PHE HZ . 30606 1 832 . 1 1 69 69 PHE C C 13 176.81 0.2 . 1 . . . . A 69 PHE C . 30606 1 833 . 1 1 69 69 PHE CA C 13 59.299 0.2 . 1 . . . . A 69 PHE CA . 30606 1 834 . 1 1 69 69 PHE CB C 13 38.411 0.2 . 1 . . . . A 69 PHE CB . 30606 1 835 . 1 1 69 69 PHE CD1 C 13 132.51 0.2 . 3 . . . . A 69 PHE CD1 . 30606 1 836 . 1 1 69 69 PHE CD2 C 13 132.51 0.2 . 3 . . . . A 69 PHE CD2 . 30606 1 837 . 1 1 69 69 PHE CE1 C 13 132.03 0.2 . 3 . . . . A 69 PHE CE1 . 30606 1 838 . 1 1 69 69 PHE CE2 C 13 132.03 0.2 . 3 . . . . A 69 PHE CE2 . 30606 1 839 . 1 1 69 69 PHE CZ C 13 131.73 0.2 . 1 . . . . A 69 PHE CZ . 30606 1 840 . 1 1 69 69 PHE N N 15 120.37 0.2 . 1 . . . . A 69 PHE N . 30606 1 841 . 1 1 70 70 THR H H 1 8.0100 0.02 . 1 . . . . A 70 THR H . 30606 1 842 . 1 1 70 70 THR HA H 1 5.4080 0.02 . 1 . . . . A 70 THR HA . 30606 1 843 . 1 1 70 70 THR HB H 1 4.3000 0.02 . 1 . . . . A 70 THR HB . 30606 1 844 . 1 1 70 70 THR HG1 H 1 6.2050 0.02 . 1 . . . . A 70 THR HG1 . 30606 1 845 . 1 1 70 70 THR HG21 H 1 0.96600 0.02 . 1 . . . . A 70 THR HG21 . 30606 1 846 . 1 1 70 70 THR HG22 H 1 0.96600 0.02 . 1 . . . . A 70 THR HG22 . 30606 1 847 . 1 1 70 70 THR HG23 H 1 0.96600 0.02 . 1 . . . . A 70 THR HG23 . 30606 1 848 . 1 1 70 70 THR C C 13 173.52 0.2 . 1 . . . . A 70 THR C . 30606 1 849 . 1 1 70 70 THR CA C 13 61.208 0.2 . 1 . . . . A 70 THR CA . 30606 1 850 . 1 1 70 70 THR CB C 13 70.441 0.2 . 1 . . . . A 70 THR CB . 30606 1 851 . 1 1 70 70 THR CG2 C 13 21.866 0.2 . 1 . . . . A 70 THR CG2 . 30606 1 852 . 1 1 70 70 THR N N 15 112.37 0.2 . 1 . . . . A 70 THR N . 30606 1 853 . 1 1 71 71 THR H H 1 8.0480 0.02 . 1 . . . . A 71 THR H . 30606 1 854 . 1 1 71 71 THR HA H 1 4.0370 0.02 . 1 . . . . A 71 THR HA . 30606 1 855 . 1 1 71 71 THR HB H 1 4.5290 0.02 . 1 . . . . A 71 THR HB . 30606 1 856 . 1 1 71 71 THR HG1 H 1 6.2030 0.02 . 1 . . . . A 71 THR HG1 . 30606 1 857 . 1 1 71 71 THR HG21 H 1 1.1510 0.02 . 1 . . . . A 71 THR HG21 . 30606 1 858 . 1 1 71 71 THR HG22 H 1 1.1510 0.02 . 1 . . . . A 71 THR HG22 . 30606 1 859 . 1 1 71 71 THR HG23 H 1 1.1510 0.02 . 1 . . . . A 71 THR HG23 . 30606 1 860 . 1 1 71 71 THR C C 13 174.90 0.2 . 1 . . . . A 71 THR C . 30606 1 861 . 1 1 71 71 THR CA C 13 62.413 0.2 . 1 . . . . A 71 THR CA . 30606 1 862 . 1 1 71 71 THR CB C 13 69.167 0.2 . 1 . . . . A 71 THR CB . 30606 1 863 . 1 1 71 71 THR CG2 C 13 21.845 0.2 . 1 . . . . A 71 THR CG2 . 30606 1 864 . 1 1 71 71 THR N N 15 103.84 0.2 . 1 . . . . A 71 THR N . 30606 1 865 . 1 1 72 72 ASP H H 1 9.0770 0.02 . 1 . . . . A 72 ASP H . 30606 1 866 . 1 1 72 72 ASP HA H 1 4.9360 0.02 . 1 . . . . A 72 ASP HA . 30606 1 867 . 1 1 72 72 ASP HB2 H 1 3.0440 0.02 . 2 . . . . A 72 ASP HB2 . 30606 1 868 . 1 1 72 72 ASP HB3 H 1 2.5820 0.02 . 2 . . . . A 72 ASP HB3 . 30606 1 869 . 1 1 72 72 ASP C C 13 176.93 0.2 . 1 . . . . A 72 ASP C . 30606 1 870 . 1 1 72 72 ASP CA C 13 51.333 0.2 . 1 . . . . A 72 ASP CA . 30606 1 871 . 1 1 72 72 ASP CB C 13 43.416 0.2 . 1 . . . . A 72 ASP CB . 30606 1 872 . 1 1 72 72 ASP N N 15 126.21 0.2 . 1 . . . . A 72 ASP N . 30606 1 873 . 1 1 73 73 PRO HA H 1 3.9620 0.02 . 1 . . . . A 73 PRO HA . 30606 1 874 . 1 1 73 73 PRO HB2 H 1 2.2790 0.02 . 2 . . . . A 73 PRO HB2 . 30606 1 875 . 1 1 73 73 PRO HB3 H 1 1.8870 0.02 . 2 . . . . A 73 PRO HB3 . 30606 1 876 . 1 1 73 73 PRO HG2 H 1 1.9080 0.02 . 2 . . . . A 73 PRO HG2 . 30606 1 877 . 1 1 73 73 PRO HG3 H 1 2.0350 0.02 . 2 . . . . A 73 PRO HG3 . 30606 1 878 . 1 1 73 73 PRO HD2 H 1 4.1280 0.02 . 2 . . . . A 73 PRO HD2 . 30606 1 879 . 1 1 73 73 PRO HD3 H 1 3.9300 0.02 . 2 . . . . A 73 PRO HD3 . 30606 1 880 . 1 1 73 73 PRO C C 13 177.04 0.2 . 1 . . . . A 73 PRO C . 30606 1 881 . 1 1 73 73 PRO CA C 13 64.632 0.2 . 1 . . . . A 73 PRO CA . 30606 1 882 . 1 1 73 73 PRO CB C 13 32.460 0.2 . 1 . . . . A 73 PRO CB . 30606 1 883 . 1 1 73 73 PRO CG C 13 27.475 0.2 . 1 . . . . A 73 PRO CG . 30606 1 884 . 1 1 73 73 PRO CD C 13 51.230 0.2 . 1 . . . . A 73 PRO CD . 30606 1 885 . 1 1 74 74 ASN H H 1 8.9510 0.02 . 1 . . . . A 74 ASN H . 30606 1 886 . 1 1 74 74 ASN HA H 1 4.8540 0.02 . 1 . . . . A 74 ASN HA . 30606 1 887 . 1 1 74 74 ASN HB2 H 1 2.8660 0.02 . 2 . . . . A 74 ASN HB2 . 30606 1 888 . 1 1 74 74 ASN HB3 H 1 2.7010 0.02 . 2 . . . . A 74 ASN HB3 . 30606 1 889 . 1 1 74 74 ASN HD21 H 1 7.9480 0.02 . 2 . . . . A 74 ASN HD21 . 30606 1 890 . 1 1 74 74 ASN HD22 H 1 6.9770 0.02 . 2 . . . . A 74 ASN HD22 . 30606 1 891 . 1 1 74 74 ASN C C 13 174.44 0.2 . 1 . . . . A 74 ASN C . 30606 1 892 . 1 1 74 74 ASN CA C 13 53.380 0.2 . 1 . . . . A 74 ASN CA . 30606 1 893 . 1 1 74 74 ASN CB C 13 39.333 0.2 . 1 . . . . A 74 ASN CB . 30606 1 894 . 1 1 74 74 ASN N N 15 114.06 0.2 . 1 . . . . A 74 ASN N . 30606 1 895 . 1 1 74 74 ASN ND2 N 15 115.32 0.2 . 1 . . . . A 74 ASN ND2 . 30606 1 896 . 1 1 75 75 LYS H H 1 7.7950 0.02 . 1 . . . . A 75 LYS H . 30606 1 897 . 1 1 75 75 LYS HA H 1 4.5710 0.02 . 1 . . . . A 75 LYS HA . 30606 1 898 . 1 1 75 75 LYS HB2 H 1 1.3320 0.02 . 2 . . . . A 75 LYS HB2 . 30606 1 899 . 1 1 75 75 LYS HB3 H 1 1.7210 0.02 . 2 . . . . A 75 LYS HB3 . 30606 1 900 . 1 1 75 75 LYS HG2 H 1 0.94500 0.02 . 2 . . . . A 75 LYS HG2 . 30606 1 901 . 1 1 75 75 LYS HG3 H 1 1.0400 0.02 . 2 . . . . A 75 LYS HG3 . 30606 1 902 . 1 1 75 75 LYS HD2 H 1 1.5030 0.02 . 2 . . . . A 75 LYS HD2 . 30606 1 903 . 1 1 75 75 LYS HD3 H 1 1.5030 0.02 . 2 . . . . A 75 LYS HD3 . 30606 1 904 . 1 1 75 75 LYS HE2 H 1 2.8060 0.02 . 2 . . . . A 75 LYS HE2 . 30606 1 905 . 1 1 75 75 LYS HE3 H 1 2.8060 0.02 . 2 . . . . A 75 LYS HE3 . 30606 1 906 . 1 1 75 75 LYS C C 13 173.40 0.2 . 1 . . . . A 75 LYS C . 30606 1 907 . 1 1 75 75 LYS CA C 13 54.154 0.2 . 1 . . . . A 75 LYS CA . 30606 1 908 . 1 1 75 75 LYS CB C 13 32.186 0.2 . 1 . . . . A 75 LYS CB . 30606 1 909 . 1 1 75 75 LYS CG C 13 23.959 0.2 . 1 . . . . A 75 LYS CG . 30606 1 910 . 1 1 75 75 LYS CD C 13 28.040 0.2 . 1 . . . . A 75 LYS CD . 30606 1 911 . 1 1 75 75 LYS CE C 13 41.727 0.2 . 1 . . . . A 75 LYS CE . 30606 1 912 . 1 1 75 75 LYS N N 15 122.83 0.2 . 1 . . . . A 75 LYS N . 30606 1 913 . 1 1 76 76 ARG H H 1 9.1080 0.02 . 1 . . . . A 76 ARG H . 30606 1 914 . 1 1 76 76 ARG HA H 1 4.5550 0.02 . 1 . . . . A 76 ARG HA . 30606 1 915 . 1 1 76 76 ARG HB2 H 1 1.9800 0.02 . 2 . . . . A 76 ARG HB2 . 30606 1 916 . 1 1 76 76 ARG HB3 H 1 1.7180 0.02 . 2 . . . . A 76 ARG HB3 . 30606 1 917 . 1 1 76 76 ARG HG2 H 1 1.6490 0.02 . 2 . . . . A 76 ARG HG2 . 30606 1 918 . 1 1 76 76 ARG HG3 H 1 1.6490 0.02 . 2 . . . . A 76 ARG HG3 . 30606 1 919 . 1 1 76 76 ARG HD2 H 1 3.4740 0.02 . 2 . . . . A 76 ARG HD2 . 30606 1 920 . 1 1 76 76 ARG HD3 H 1 3.4740 0.02 . 2 . . . . A 76 ARG HD3 . 30606 1 921 . 1 1 76 76 ARG HE H 1 7.9500 0.02 . 1 . . . . A 76 ARG HE . 30606 1 922 . 1 1 76 76 ARG C C 13 175.14 0.2 . 1 . . . . A 76 ARG C . 30606 1 923 . 1 1 76 76 ARG CA C 13 60.532 0.2 . 1 . . . . A 76 ARG CA . 30606 1 924 . 1 1 76 76 ARG CB C 13 29.307 0.2 . 1 . . . . A 76 ARG CB . 30606 1 925 . 1 1 76 76 ARG CG C 13 28.670 0.2 . 1 . . . . A 76 ARG CG . 30606 1 926 . 1 1 76 76 ARG CD C 13 43.210 0.2 . 1 . . . . A 76 ARG CD . 30606 1 927 . 1 1 76 76 ARG N N 15 129.57 0.2 . 1 . . . . A 76 ARG N . 30606 1 928 . 1 1 76 76 ARG NE N 15 85.375 0.2 . 1 . . . . A 76 ARG NE . 30606 1 929 . 1 1 77 77 TRP H H 1 7.5100 0.02 . 1 . . . . A 77 TRP H . 30606 1 930 . 1 1 77 77 TRP HA H 1 5.3570 0.02 . 1 . . . . A 77 TRP HA . 30606 1 931 . 1 1 77 77 TRP HB2 H 1 2.9080 0.02 . 2 . . . . A 77 TRP HB2 . 30606 1 932 . 1 1 77 77 TRP HB3 H 1 2.5430 0.02 . 2 . . . . A 77 TRP HB3 . 30606 1 933 . 1 1 77 77 TRP HD1 H 1 6.9560 0.02 . 1 . . . . A 77 TRP HD1 . 30606 1 934 . 1 1 77 77 TRP HE1 H 1 9.4330 0.02 . 1 . . . . A 77 TRP HE1 . 30606 1 935 . 1 1 77 77 TRP HE3 H 1 7.6720 0.02 . 1 . . . . A 77 TRP HE3 . 30606 1 936 . 1 1 77 77 TRP HZ2 H 1 6.7720 0.02 . 1 . . . . A 77 TRP HZ2 . 30606 1 937 . 1 1 77 77 TRP HZ3 H 1 6.7420 0.02 . 1 . . . . A 77 TRP HZ3 . 30606 1 938 . 1 1 77 77 TRP HH2 H 1 6.8390 0.02 . 1 . . . . A 77 TRP HH2 . 30606 1 939 . 1 1 77 77 TRP C C 13 172.94 0.2 . 1 . . . . A 77 TRP C . 30606 1 940 . 1 1 77 77 TRP CA C 13 55.044 0.2 . 1 . . . . A 77 TRP CA . 30606 1 941 . 1 1 77 77 TRP CB C 13 31.951 0.2 . 1 . . . . A 77 TRP CB . 30606 1 942 . 1 1 77 77 TRP CD1 C 13 127.54 0.2 . 1 . . . . A 77 TRP CD1 . 30606 1 943 . 1 1 77 77 TRP CE3 C 13 120.54 0.2 . 1 . . . . A 77 TRP CE3 . 30606 1 944 . 1 1 77 77 TRP CZ2 C 13 115.37 0.2 . 1 . . . . A 77 TRP CZ2 . 30606 1 945 . 1 1 77 77 TRP CZ3 C 13 121.95 0.2 . 1 . . . . A 77 TRP CZ3 . 30606 1 946 . 1 1 77 77 TRP CH2 C 13 124.25 0.2 . 1 . . . . A 77 TRP CH2 . 30606 1 947 . 1 1 77 77 TRP N N 15 108.74 0.2 . 1 . . . . A 77 TRP N . 30606 1 948 . 1 1 77 77 TRP NE1 N 15 130.53 0.2 . 1 . . . . A 77 TRP NE1 . 30606 1 949 . 1 1 78 78 GLU H H 1 8.6270 0.02 . 1 . . . . A 78 GLU H . 30606 1 950 . 1 1 78 78 GLU HA H 1 3.6710 0.02 . 1 . . . . A 78 GLU HA . 30606 1 951 . 1 1 78 78 GLU HB2 H 1 1.9060 0.02 . 2 . . . . A 78 GLU HB2 . 30606 1 952 . 1 1 78 78 GLU HB3 H 1 1.6700 0.02 . 2 . . . . A 78 GLU HB3 . 30606 1 953 . 1 1 78 78 GLU HG2 H 1 2.8230 0.02 . 2 . . . . A 78 GLU HG2 . 30606 1 954 . 1 1 78 78 GLU HG3 H 1 2.2280 0.02 . 2 . . . . A 78 GLU HG3 . 30606 1 955 . 1 1 78 78 GLU C C 13 174.50 0.2 . 1 . . . . A 78 GLU C . 30606 1 956 . 1 1 78 78 GLU CA C 13 55.659 0.2 . 1 . . . . A 78 GLU CA . 30606 1 957 . 1 1 78 78 GLU CB C 13 34.557 0.2 . 1 . . . . A 78 GLU CB . 30606 1 958 . 1 1 78 78 GLU CG C 13 37.656 0.2 . 1 . . . . A 78 GLU CG . 30606 1 959 . 1 1 78 78 GLU N N 15 118.80 0.2 . 1 . . . . A 78 GLU N . 30606 1 960 . 1 1 79 79 TYR H H 1 7.6260 0.02 . 1 . . . . A 79 TYR H . 30606 1 961 . 1 1 79 79 TYR HA H 1 4.9950 0.02 . 1 . . . . A 79 TYR HA . 30606 1 962 . 1 1 79 79 TYR HB2 H 1 3.3180 0.02 . 2 . . . . A 79 TYR HB2 . 30606 1 963 . 1 1 79 79 TYR HB3 H 1 2.8470 0.02 . 2 . . . . A 79 TYR HB3 . 30606 1 964 . 1 1 79 79 TYR HD1 H 1 6.8970 0.02 . 3 . . . . A 79 TYR HD1 . 30606 1 965 . 1 1 79 79 TYR HD2 H 1 6.8970 0.02 . 3 . . . . A 79 TYR HD2 . 30606 1 966 . 1 1 79 79 TYR HE1 H 1 6.9140 0.02 . 3 . . . . A 79 TYR HE1 . 30606 1 967 . 1 1 79 79 TYR HE2 H 1 6.9140 0.02 . 3 . . . . A 79 TYR HE2 . 30606 1 968 . 1 1 79 79 TYR C C 13 175.89 0.2 . 1 . . . . A 79 TYR C . 30606 1 969 . 1 1 79 79 TYR CA C 13 60.120 0.2 . 1 . . . . A 79 TYR CA . 30606 1 970 . 1 1 79 79 TYR CB C 13 39.789 0.2 . 1 . . . . A 79 TYR CB . 30606 1 971 . 1 1 79 79 TYR CD1 C 13 132.55 0.2 . 3 . . . . A 79 TYR CD1 . 30606 1 972 . 1 1 79 79 TYR CD2 C 13 132.55 0.2 . 3 . . . . A 79 TYR CD2 . 30606 1 973 . 1 1 79 79 TYR CE1 C 13 117.49 0.2 . 3 . . . . A 79 TYR CE1 . 30606 1 974 . 1 1 79 79 TYR CE2 C 13 117.49 0.2 . 3 . . . . A 79 TYR CE2 . 30606 1 975 . 1 1 79 79 TYR N N 15 119.16 0.2 . 1 . . . . A 79 TYR N . 30606 1 976 . 1 1 80 80 CYS H H 1 9.4060 0.02 . 1 . . . . A 80 CYS H . 30606 1 977 . 1 1 80 80 CYS HA H 1 4.7200 0.02 . 1 . . . . A 80 CYS HA . 30606 1 978 . 1 1 80 80 CYS HB2 H 1 2.9830 0.02 . 2 . . . . A 80 CYS HB2 . 30606 1 979 . 1 1 80 80 CYS HB3 H 1 3.1480 0.02 . 2 . . . . A 80 CYS HB3 . 30606 1 980 . 1 1 80 80 CYS C C 13 172.42 0.2 . 1 . . . . A 80 CYS C . 30606 1 981 . 1 1 80 80 CYS CA C 13 54.618 0.2 . 1 . . . . A 80 CYS CA . 30606 1 982 . 1 1 80 80 CYS CB C 13 46.736 0.2 . 1 . . . . A 80 CYS CB . 30606 1 983 . 1 1 80 80 CYS N N 15 118.56 0.2 . 1 . . . . A 80 CYS N . 30606 1 984 . 1 1 81 81 ASP H H 1 9.7070 0.02 . 1 . . . . A 81 ASP H . 30606 1 985 . 1 1 81 81 ASP HA H 1 4.7810 0.02 . 1 . . . . A 81 ASP HA . 30606 1 986 . 1 1 81 81 ASP HB2 H 1 2.7720 0.02 . 2 . . . . A 81 ASP HB2 . 30606 1 987 . 1 1 81 81 ASP HB3 H 1 2.2310 0.02 . 2 . . . . A 81 ASP HB3 . 30606 1 988 . 1 1 81 81 ASP C C 13 173.58 0.2 . 1 . . . . A 81 ASP C . 30606 1 989 . 1 1 81 81 ASP CA C 13 52.855 0.2 . 1 . . . . A 81 ASP CA . 30606 1 990 . 1 1 81 81 ASP CB C 13 40.733 0.2 . 1 . . . . A 81 ASP CB . 30606 1 991 . 1 1 81 81 ASP N N 15 124.64 0.2 . 1 . . . . A 81 ASP N . 30606 1 992 . 1 1 82 82 ILE H H 1 7.8330 0.02 . 1 . . . . A 82 ILE H . 30606 1 993 . 1 1 82 82 ILE HA H 1 4.3200 0.02 . 1 . . . . A 82 ILE HA . 30606 1 994 . 1 1 82 82 ILE HB H 1 1.8460 0.02 . 1 . . . . A 82 ILE HB . 30606 1 995 . 1 1 82 82 ILE HG12 H 1 0.72000 0.02 . 2 . . . . A 82 ILE HG12 . 30606 1 996 . 1 1 82 82 ILE HG13 H 1 1.1230 0.02 . 2 . . . . A 82 ILE HG13 . 30606 1 997 . 1 1 82 82 ILE HG21 H 1 0.41000 0.02 . 1 . . . . A 82 ILE HG21 . 30606 1 998 . 1 1 82 82 ILE HG22 H 1 0.41000 0.02 . 1 . . . . A 82 ILE HG22 . 30606 1 999 . 1 1 82 82 ILE HG23 H 1 0.41000 0.02 . 1 . . . . A 82 ILE HG23 . 30606 1 1000 . 1 1 82 82 ILE HD11 H 1 0.37000 0.02 . 1 . . . . A 82 ILE HD11 . 30606 1 1001 . 1 1 82 82 ILE HD12 H 1 0.37000 0.02 . 1 . . . . A 82 ILE HD12 . 30606 1 1002 . 1 1 82 82 ILE HD13 H 1 0.37000 0.02 . 1 . . . . A 82 ILE HD13 . 30606 1 1003 . 1 1 82 82 ILE C C 13 173.92 0.2 . 1 . . . . A 82 ILE C . 30606 1 1004 . 1 1 82 82 ILE CA C 13 56.118 0.2 . 1 . . . . A 82 ILE CA . 30606 1 1005 . 1 1 82 82 ILE CB C 13 38.166 0.2 . 1 . . . . A 82 ILE CB . 30606 1 1006 . 1 1 82 82 ILE CG1 C 13 26.520 0.2 . 1 . . . . A 82 ILE CG1 . 30606 1 1007 . 1 1 82 82 ILE CG2 C 13 16.791 0.2 . 1 . . . . A 82 ILE CG2 . 30606 1 1008 . 1 1 82 82 ILE CD1 C 13 11.479 0.2 . 1 . . . . A 82 ILE CD1 . 30606 1 1009 . 1 1 82 82 ILE N N 15 125.23 0.2 . 1 . . . . A 82 ILE N . 30606 1 1010 . 1 1 83 83 PRO HA H 1 4.3370 0.02 . 1 . . . . A 83 PRO HA . 30606 1 1011 . 1 1 83 83 PRO HB2 H 1 2.2600 0.02 . 2 . . . . A 83 PRO HB2 . 30606 1 1012 . 1 1 83 83 PRO HB3 H 1 2.2340 0.02 . 2 . . . . A 83 PRO HB3 . 30606 1 1013 . 1 1 83 83 PRO HG2 H 1 2.1200 0.02 . 2 . . . . A 83 PRO HG2 . 30606 1 1014 . 1 1 83 83 PRO HG3 H 1 1.9960 0.02 . 2 . . . . A 83 PRO HG3 . 30606 1 1015 . 1 1 83 83 PRO HD2 H 1 3.5220 0.02 . 2 . . . . A 83 PRO HD2 . 30606 1 1016 . 1 1 83 83 PRO HD3 H 1 3.7660 0.02 . 2 . . . . A 83 PRO HD3 . 30606 1 1017 . 1 1 83 83 PRO C C 13 175.17 0.2 . 1 . . . . A 83 PRO C . 30606 1 1018 . 1 1 83 83 PRO CA C 13 62.844 0.2 . 1 . . . . A 83 PRO CA . 30606 1 1019 . 1 1 83 83 PRO CB C 13 32.450 0.2 . 1 . . . . A 83 PRO CB . 30606 1 1020 . 1 1 83 83 PRO CG C 13 27.708 0.2 . 1 . . . . A 83 PRO CG . 30606 1 1021 . 1 1 83 83 PRO CD C 13 51.281 0.2 . 1 . . . . A 83 PRO CD . 30606 1 1022 . 1 1 84 84 ARG H H 1 8.6260 0.02 . 1 . . . . A 84 ARG H . 30606 1 1023 . 1 1 84 84 ARG HA H 1 4.6580 0.02 . 1 . . . . A 84 ARG HA . 30606 1 1024 . 1 1 84 84 ARG HB2 H 1 1.7960 0.02 . 2 . . . . A 84 ARG HB2 . 30606 1 1025 . 1 1 84 84 ARG HB3 H 1 1.7960 0.02 . 2 . . . . A 84 ARG HB3 . 30606 1 1026 . 1 1 84 84 ARG HG2 H 1 1.4220 0.02 . 2 . . . . A 84 ARG HG2 . 30606 1 1027 . 1 1 84 84 ARG HG3 H 1 1.8320 0.02 . 2 . . . . A 84 ARG HG3 . 30606 1 1028 . 1 1 84 84 ARG HD2 H 1 3.2920 0.02 . 2 . . . . A 84 ARG HD2 . 30606 1 1029 . 1 1 84 84 ARG HD3 H 1 3.2580 0.02 . 2 . . . . A 84 ARG HD3 . 30606 1 1030 . 1 1 84 84 ARG HE H 1 7.0190 0.02 . 1 . . . . A 84 ARG HE . 30606 1 1031 . 1 1 84 84 ARG C C 13 175.14 0.2 . 1 . . . . A 84 ARG C . 30606 1 1032 . 1 1 84 84 ARG CA C 13 55.617 0.2 . 1 . . . . A 84 ARG CA . 30606 1 1033 . 1 1 84 84 ARG CB C 13 30.482 0.2 . 1 . . . . A 84 ARG CB . 30606 1 1034 . 1 1 84 84 ARG CG C 13 28.042 0.2 . 1 . . . . A 84 ARG CG . 30606 1 1035 . 1 1 84 84 ARG CD C 13 43.213 0.2 . 1 . . . . A 84 ARG CD . 30606 1 1036 . 1 1 84 84 ARG N N 15 122.04 0.2 . 1 . . . . A 84 ARG N . 30606 1 1037 . 1 1 84 84 ARG NE N 15 84.271 0.2 . 1 . . . . A 84 ARG NE . 30606 1 1038 . 1 1 85 85 CYS H H 1 8.8060 0.02 . 1 . . . . A 85 CYS H . 30606 1 1039 . 1 1 85 85 CYS HA H 1 4.4790 0.02 . 1 . . . . A 85 CYS HA . 30606 1 1040 . 1 1 85 85 CYS HB2 H 1 3.1760 0.02 . 2 . . . . A 85 CYS HB2 . 30606 1 1041 . 1 1 85 85 CYS HB3 H 1 1.8840 0.02 . 2 . . . . A 85 CYS HB3 . 30606 1 1042 . 1 1 85 85 CYS C C 13 174.91 0.2 . 1 . . . . A 85 CYS C . 30606 1 1043 . 1 1 85 85 CYS CA C 13 54.177 0.2 . 1 . . . . A 85 CYS CA . 30606 1 1044 . 1 1 85 85 CYS CB C 13 39.574 0.2 . 1 . . . . A 85 CYS CB . 30606 1 1045 . 1 1 85 85 CYS N N 15 123.98 0.2 . 1 . . . . A 85 CYS N . 30606 1 1046 . 1 1 86 86 ALA H H 1 8.7020 0.02 . 1 . . . . A 86 ALA H . 30606 1 1047 . 1 1 86 86 ALA HA H 1 4.2550 0.02 . 1 . . . . A 86 ALA HA . 30606 1 1048 . 1 1 86 86 ALA HB1 H 1 1.4030 0.02 . 1 . . . . A 86 ALA HB1 . 30606 1 1049 . 1 1 86 86 ALA HB2 H 1 1.4030 0.02 . 1 . . . . A 86 ALA HB2 . 30606 1 1050 . 1 1 86 86 ALA HB3 H 1 1.4030 0.02 . 1 . . . . A 86 ALA HB3 . 30606 1 1051 . 1 1 86 86 ALA C C 13 176.24 0.2 . 1 . . . . A 86 ALA C . 30606 1 1052 . 1 1 86 86 ALA CA C 13 53.067 0.2 . 1 . . . . A 86 ALA CA . 30606 1 1053 . 1 1 86 86 ALA CB C 13 19.034 0.2 . 1 . . . . A 86 ALA CB . 30606 1 1054 . 1 1 86 86 ALA N N 15 126.33 0.2 . 1 . . . . A 86 ALA N . 30606 1 1055 . 1 1 87 87 ALA H H 1 7.8920 0.02 . 1 . . . . A 87 ALA H . 30606 1 1056 . 1 1 87 87 ALA HA H 1 4.2040 0.02 . 1 . . . . A 87 ALA HA . 30606 1 1057 . 1 1 87 87 ALA HB1 H 1 1.3590 0.02 . 1 . . . . A 87 ALA HB1 . 30606 1 1058 . 1 1 87 87 ALA HB2 H 1 1.3590 0.02 . 1 . . . . A 87 ALA HB2 . 30606 1 1059 . 1 1 87 87 ALA HB3 H 1 1.3590 0.02 . 1 . . . . A 87 ALA HB3 . 30606 1 1060 . 1 1 87 87 ALA C C 13 182.42 0.2 . 1 . . . . A 87 ALA C . 30606 1 1061 . 1 1 87 87 ALA CA C 13 53.659 0.2 . 1 . . . . A 87 ALA CA . 30606 1 1062 . 1 1 87 87 ALA CB C 13 20.365 0.2 . 1 . . . . A 87 ALA CB . 30606 1 1063 . 1 1 87 87 ALA N N 15 128.49 0.2 . 1 . . . . A 87 ALA N . 30606 1 1064 . 2 2 2 2 SER HB2 H 1 3.7880 0.02 . 2 . . . . B 102 SER HB2 . 30606 1 1065 . 2 2 2 2 SER HB3 H 1 3.7880 0.02 . 2 . . . . B 102 SER HB3 . 30606 1 1066 . 2 2 2 2 SER C C 13 174.76 0.2 . 1 . . . . B 102 SER C . 30606 1 1067 . 2 2 2 2 SER CA C 13 58.400 0.2 . 1 . . . . B 102 SER CA . 30606 1 1068 . 2 2 2 2 SER CB C 13 63.849 0.2 . 1 . . . . B 102 SER CB . 30606 1 1069 . 2 2 3 3 VAL H H 1 8.3030 0.02 . 1 . . . . B 103 VAL H . 30606 1 1070 . 2 2 3 3 VAL HA H 1 4.0550 0.02 . 1 . . . . B 103 VAL HA . 30606 1 1071 . 2 2 3 3 VAL HB H 1 2.0170 0.02 . 1 . . . . B 103 VAL HB . 30606 1 1072 . 2 2 3 3 VAL HG11 H 1 0.85000 0.02 . 2 . . . . B 103 VAL HG11 . 30606 1 1073 . 2 2 3 3 VAL HG12 H 1 0.85000 0.02 . 2 . . . . B 103 VAL HG12 . 30606 1 1074 . 2 2 3 3 VAL HG13 H 1 0.85000 0.02 . 2 . . . . B 103 VAL HG13 . 30606 1 1075 . 2 2 3 3 VAL HG21 H 1 0.85000 0.02 . 2 . . . . B 103 VAL HG21 . 30606 1 1076 . 2 2 3 3 VAL HG22 H 1 0.85000 0.02 . 2 . . . . B 103 VAL HG22 . 30606 1 1077 . 2 2 3 3 VAL HG23 H 1 0.85000 0.02 . 2 . . . . B 103 VAL HG23 . 30606 1 1078 . 2 2 3 3 VAL C C 13 176.42 0.2 . 1 . . . . B 103 VAL C . 30606 1 1079 . 2 2 3 3 VAL CA C 13 62.766 0.2 . 1 . . . . B 103 VAL CA . 30606 1 1080 . 2 2 3 3 VAL CB C 13 32.598 0.2 . 1 . . . . B 103 VAL CB . 30606 1 1081 . 2 2 3 3 VAL CG1 C 13 20.690 0.2 . 2 . . . . B 103 VAL CG1 . 30606 1 1082 . 2 2 3 3 VAL CG2 C 13 20.690 0.2 . 2 . . . . B 103 VAL CG2 . 30606 1 1083 . 2 2 3 3 VAL N N 15 122.53 0.2 . 1 . . . . B 103 VAL N . 30606 1 1084 . 2 2 4 4 GLU H H 1 8.4750 0.02 . 1 . . . . B 104 GLU H . 30606 1 1085 . 2 2 4 4 GLU HA H 1 4.1900 0.02 . 1 . . . . B 104 GLU HA . 30606 1 1086 . 2 2 4 4 GLU HB2 H 1 1.9520 0.02 . 2 . . . . B 104 GLU HB2 . 30606 1 1087 . 2 2 4 4 GLU HB3 H 1 1.9520 0.02 . 2 . . . . B 104 GLU HB3 . 30606 1 1088 . 2 2 4 4 GLU C C 13 176.57 0.2 . 1 . . . . B 104 GLU C . 30606 1 1089 . 2 2 4 4 GLU CA C 13 57.030 0.2 . 1 . . . . B 104 GLU CA . 30606 1 1090 . 2 2 4 4 GLU CB C 13 30.220 0.2 . 1 . . . . B 104 GLU CB . 30606 1 1091 . 2 2 4 4 GLU CG C 13 36.310 0.2 . 1 . . . . B 104 GLU CG . 30606 1 1092 . 2 2 4 4 GLU N N 15 125.34 0.2 . 1 . . . . B 104 GLU N . 30606 1 1093 . 2 2 5 5 LYS H H 1 8.2900 0.02 . 1 . . . . B 105 LYS H . 30606 1 1094 . 2 2 5 5 LYS HA H 1 4.1950 0.02 . 1 . . . . B 105 LYS HA . 30606 1 1095 . 2 2 5 5 LYS HB2 H 1 1.7040 0.02 . 2 . . . . B 105 LYS HB2 . 30606 1 1096 . 2 2 5 5 LYS HB3 H 1 1.7040 0.02 . 2 . . . . B 105 LYS HB3 . 30606 1 1097 . 2 2 5 5 LYS HD2 H 1 1.7040 0.02 . 2 . . . . B 105 LYS HD2 . 30606 1 1098 . 2 2 5 5 LYS HD3 H 1 1.7040 0.02 . 2 . . . . B 105 LYS HD3 . 30606 1 1099 . 2 2 5 5 LYS C C 13 176.72 0.2 . 1 . . . . B 105 LYS C . 30606 1 1100 . 2 2 5 5 LYS CA C 13 56.433 0.2 . 1 . . . . B 105 LYS CA . 30606 1 1101 . 2 2 5 5 LYS CB C 13 32.815 0.2 . 1 . . . . B 105 LYS CB . 30606 1 1102 . 2 2 5 5 LYS CG C 13 24.880 0.2 . 1 . . . . B 105 LYS CG . 30606 1 1103 . 2 2 5 5 LYS N N 15 123.41 0.2 . 1 . . . . B 105 LYS N . 30606 1 1104 . 2 2 6 6 LEU H H 1 8.3090 0.02 . 1 . . . . B 106 LEU H . 30606 1 1105 . 2 2 6 6 LEU HA H 1 4.2660 0.02 . 1 . . . . B 106 LEU HA . 30606 1 1106 . 2 2 6 6 LEU C C 13 178.50 0.2 . 1 . . . . B 106 LEU C . 30606 1 1107 . 2 2 6 6 LEU CA C 13 56.104 0.2 . 1 . . . . B 106 LEU CA . 30606 1 1108 . 2 2 6 6 LEU CB C 13 42.550 0.2 . 1 . . . . B 106 LEU CB . 30606 1 1109 . 2 2 6 6 LEU CG C 13 26.980 0.2 . 1 . . . . B 106 LEU CG . 30606 1 1110 . 2 2 6 6 LEU CD1 C 13 23.800 0.2 . 2 . . . . B 106 LEU CD1 . 30606 1 1111 . 2 2 6 6 LEU CD2 C 13 25.050 0.2 . 2 . . . . B 106 LEU CD2 . 30606 1 1112 . 2 2 6 6 LEU N N 15 123.87 0.2 . 1 . . . . B 106 LEU N . 30606 1 1113 . 2 2 7 7 THR H H 1 8.0040 0.02 . 1 . . . . B 107 THR H . 30606 1 1114 . 2 2 7 7 THR HA H 1 4.0590 0.02 . 1 . . . . B 107 THR HA . 30606 1 1115 . 2 2 7 7 THR C C 13 175.60 0.2 . 1 . . . . B 107 THR C . 30606 1 1116 . 2 2 7 7 THR CA C 13 62.450 0.2 . 1 . . . . B 107 THR CA . 30606 1 1117 . 2 2 7 7 THR CB C 13 70.230 0.2 . 1 . . . . B 107 THR CB . 30606 1 1118 . 2 2 7 7 THR CG2 C 13 22.010 0.2 . 1 . . . . B 107 THR CG2 . 30606 1 1119 . 2 2 7 7 THR N N 15 114.50 0.2 . 1 . . . . B 107 THR N . 30606 1 1120 . 2 2 8 8 ALA H H 1 8.6030 0.02 . 1 . . . . B 108 ALA H . 30606 1 1121 . 2 2 8 8 ALA HA H 1 4.3260 0.02 . 1 . . . . B 108 ALA HA . 30606 1 1122 . 2 2 8 8 ALA HB1 H 1 1.6070 0.02 . 1 . . . . B 108 ALA HB1 . 30606 1 1123 . 2 2 8 8 ALA HB2 H 1 1.6070 0.02 . 1 . . . . B 108 ALA HB2 . 30606 1 1124 . 2 2 8 8 ALA HB3 H 1 1.6070 0.02 . 1 . . . . B 108 ALA HB3 . 30606 1 1125 . 2 2 8 8 ALA C C 13 179.28 0.2 . 1 . . . . B 108 ALA C . 30606 1 1126 . 2 2 8 8 ALA CA C 13 55.570 0.2 . 1 . . . . B 108 ALA CA . 30606 1 1127 . 2 2 8 8 ALA CB C 13 18.709 0.2 . 1 . . . . B 108 ALA CB . 30606 1 1128 . 2 2 8 8 ALA N N 15 125.40 0.2 . 1 . . . . B 108 ALA N . 30606 1 1129 . 2 2 9 9 ASP H H 1 8.2450 0.02 . 1 . . . . B 109 ASP H . 30606 1 1130 . 2 2 9 9 ASP HA H 1 4.3670 0.02 . 1 . . . . B 109 ASP HA . 30606 1 1131 . 2 2 9 9 ASP HB2 H 1 2.5610 0.02 . 2 . . . . B 109 ASP HB2 . 30606 1 1132 . 2 2 9 9 ASP HB3 H 1 2.5610 0.02 . 2 . . . . B 109 ASP HB3 . 30606 1 1133 . 2 2 9 9 ASP C C 13 178.85 0.2 . 1 . . . . B 109 ASP C . 30606 1 1134 . 2 2 9 9 ASP CA C 13 57.593 0.2 . 1 . . . . B 109 ASP CA . 30606 1 1135 . 2 2 9 9 ASP CB C 13 40.761 0.2 . 1 . . . . B 109 ASP CB . 30606 1 1136 . 2 2 9 9 ASP N N 15 116.12 0.2 . 1 . . . . B 109 ASP N . 30606 1 1137 . 2 2 10 10 ALA H H 1 7.8430 0.02 . 1 . . . . B 110 ALA H . 30606 1 1138 . 2 2 10 10 ALA HA H 1 4.1260 0.02 . 1 . . . . B 110 ALA HA . 30606 1 1139 . 2 2 10 10 ALA HB1 H 1 1.4770 0.02 . 1 . . . . B 110 ALA HB1 . 30606 1 1140 . 2 2 10 10 ALA HB2 H 1 1.4770 0.02 . 1 . . . . B 110 ALA HB2 . 30606 1 1141 . 2 2 10 10 ALA HB3 H 1 1.4770 0.02 . 1 . . . . B 110 ALA HB3 . 30606 1 1142 . 2 2 10 10 ALA C C 13 180.86 0.2 . 1 . . . . B 110 ALA C . 30606 1 1143 . 2 2 10 10 ALA CA C 13 54.977 0.2 . 1 . . . . B 110 ALA CA . 30606 1 1144 . 2 2 10 10 ALA CB C 13 18.654 0.2 . 1 . . . . B 110 ALA CB . 30606 1 1145 . 2 2 10 10 ALA N N 15 123.48 0.2 . 1 . . . . B 110 ALA N . 30606 1 1146 . 2 2 11 11 GLU H H 1 8.3530 0.02 . 1 . . . . B 111 GLU H . 30606 1 1147 . 2 2 11 11 GLU HA H 1 4.1810 0.02 . 1 . . . . B 111 GLU HA . 30606 1 1148 . 2 2 11 11 GLU HB2 H 1 2.0550 0.02 . 2 . . . . B 111 GLU HB2 . 30606 1 1149 . 2 2 11 11 GLU HB3 H 1 2.0570 0.02 . 2 . . . . B 111 GLU HB3 . 30606 1 1150 . 2 2 11 11 GLU HG2 H 1 2.2570 0.02 . 2 . . . . B 111 GLU HG2 . 30606 1 1151 . 2 2 11 11 GLU HG3 H 1 2.2570 0.02 . 2 . . . . B 111 GLU HG3 . 30606 1 1152 . 2 2 11 11 GLU C C 13 179.08 0.2 . 1 . . . . B 111 GLU C . 30606 1 1153 . 2 2 11 11 GLU CA C 13 59.219 0.2 . 1 . . . . B 111 GLU CA . 30606 1 1154 . 2 2 11 11 GLU CB C 13 29.389 0.2 . 1 . . . . B 111 GLU CB . 30606 1 1155 . 2 2 11 11 GLU CG C 13 36.233 0.2 . 1 . . . . B 111 GLU CG . 30606 1 1156 . 2 2 11 11 GLU N N 15 122.69 0.2 . 1 . . . . B 111 GLU N . 30606 1 1157 . 2 2 12 12 LEU H H 1 8.3140 0.02 . 1 . . . . B 112 LEU H . 30606 1 1158 . 2 2 12 12 LEU HA H 1 3.7040 0.02 . 1 . . . . B 112 LEU HA . 30606 1 1159 . 2 2 12 12 LEU HB2 H 1 1.9040 0.02 . 2 . . . . B 112 LEU HB2 . 30606 1 1160 . 2 2 12 12 LEU HB3 H 1 1.9040 0.02 . 2 . . . . B 112 LEU HB3 . 30606 1 1161 . 2 2 12 12 LEU HG H 1 1.9040 0.02 . 1 . . . . B 112 LEU HG . 30606 1 1162 . 2 2 12 12 LEU HD11 H 1 0.73100 0.02 . 2 . . . . B 112 LEU HD11 . 30606 1 1163 . 2 2 12 12 LEU HD12 H 1 0.73100 0.02 . 2 . . . . B 112 LEU HD12 . 30606 1 1164 . 2 2 12 12 LEU HD13 H 1 0.73100 0.02 . 2 . . . . B 112 LEU HD13 . 30606 1 1165 . 2 2 12 12 LEU HD21 H 1 0.73100 0.02 . 2 . . . . B 112 LEU HD21 . 30606 1 1166 . 2 2 12 12 LEU HD22 H 1 0.73100 0.02 . 2 . . . . B 112 LEU HD22 . 30606 1 1167 . 2 2 12 12 LEU HD23 H 1 0.73100 0.02 . 2 . . . . B 112 LEU HD23 . 30606 1 1168 . 2 2 12 12 LEU C C 13 178.18 0.2 . 1 . . . . B 112 LEU C . 30606 1 1169 . 2 2 12 12 LEU CA C 13 58.482 0.2 . 1 . . . . B 112 LEU CA . 30606 1 1170 . 2 2 12 12 LEU CB C 13 41.460 0.2 . 1 . . . . B 112 LEU CB . 30606 1 1171 . 2 2 12 12 LEU CG C 13 25.650 0.2 . 1 . . . . B 112 LEU CG . 30606 1 1172 . 2 2 12 12 LEU CD1 C 13 22.910 0.2 . 1 . . . . B 112 LEU CD1 . 30606 1 1173 . 2 2 12 12 LEU CD2 C 13 22.910 0.2 . 1 . . . . B 112 LEU CD2 . 30606 1 1174 . 2 2 12 12 LEU N N 15 120.49 0.2 . 1 . . . . B 112 LEU N . 30606 1 1175 . 2 2 13 13 GLN H H 1 7.6660 0.02 . 1 . . . . B 113 GLN H . 30606 1 1176 . 2 2 13 13 GLN HA H 1 3.9240 0.02 . 1 . . . . B 113 GLN HA . 30606 1 1177 . 2 2 13 13 GLN HB2 H 1 2.0490 0.02 . 2 . . . . B 113 GLN HB2 . 30606 1 1178 . 2 2 13 13 GLN HB3 H 1 2.0490 0.02 . 2 . . . . B 113 GLN HB3 . 30606 1 1179 . 2 2 13 13 GLN HG2 H 1 2.3140 0.02 . 2 . . . . B 113 GLN HG2 . 30606 1 1180 . 2 2 13 13 GLN HG3 H 1 2.3140 0.02 . 2 . . . . B 113 GLN HG3 . 30606 1 1181 . 2 2 13 13 GLN C C 13 177.88 0.2 . 1 . . . . B 113 GLN C . 30606 1 1182 . 2 2 13 13 GLN CA C 13 58.744 0.2 . 1 . . . . B 113 GLN CA . 30606 1 1183 . 2 2 13 13 GLN CB C 13 28.485 0.2 . 1 . . . . B 113 GLN CB . 30606 1 1184 . 2 2 13 13 GLN CG C 13 33.874 0.2 . 1 . . . . B 113 GLN CG . 30606 1 1185 . 2 2 13 13 GLN N N 15 117.82 0.2 . 1 . . . . B 113 GLN N . 30606 1 1186 . 2 2 14 14 ARG H H 1 7.6950 0.02 . 1 . . . . B 114 ARG H . 30606 1 1187 . 2 2 14 14 ARG HA H 1 3.9500 0.02 . 1 . . . . B 114 ARG HA . 30606 1 1188 . 2 2 14 14 ARG HB2 H 1 2.0590 0.02 . 2 . . . . B 114 ARG HB2 . 30606 1 1189 . 2 2 14 14 ARG HB3 H 1 2.0590 0.02 . 2 . . . . B 114 ARG HB3 . 30606 1 1190 . 2 2 14 14 ARG HG2 H 1 1.7520 0.02 . 2 . . . . B 114 ARG HG2 . 30606 1 1191 . 2 2 14 14 ARG HG3 H 1 1.7520 0.02 . 2 . . . . B 114 ARG HG3 . 30606 1 1192 . 2 2 14 14 ARG C C 13 179.55 0.2 . 1 . . . . B 114 ARG C . 30606 1 1193 . 2 2 14 14 ARG CA C 13 59.735 0.2 . 1 . . . . B 114 ARG CA . 30606 1 1194 . 2 2 14 14 ARG CB C 13 29.836 0.2 . 1 . . . . B 114 ARG CB . 30606 1 1195 . 2 2 14 14 ARG N N 15 121.81 0.2 . 1 . . . . B 114 ARG N . 30606 1 1196 . 2 2 15 15 LEU H H 1 8.4200 0.02 . 1 . . . . B 115 LEU H . 30606 1 1197 . 2 2 15 15 LEU HA H 1 4.1990 0.02 . 1 . . . . B 115 LEU HA . 30606 1 1198 . 2 2 15 15 LEU HB2 H 1 1.6610 0.02 . 2 . . . . B 115 LEU HB2 . 30606 1 1199 . 2 2 15 15 LEU HB3 H 1 1.6610 0.02 . 2 . . . . B 115 LEU HB3 . 30606 1 1200 . 2 2 15 15 LEU HG H 1 1.6610 0.02 . 1 . . . . B 115 LEU HG . 30606 1 1201 . 2 2 15 15 LEU HD11 H 1 0.79600 0.02 . 2 . . . . B 115 LEU HD11 . 30606 1 1202 . 2 2 15 15 LEU HD12 H 1 0.79600 0.02 . 2 . . . . B 115 LEU HD12 . 30606 1 1203 . 2 2 15 15 LEU HD13 H 1 0.79600 0.02 . 2 . . . . B 115 LEU HD13 . 30606 1 1204 . 2 2 15 15 LEU HD21 H 1 0.79600 0.02 . 2 . . . . B 115 LEU HD21 . 30606 1 1205 . 2 2 15 15 LEU HD22 H 1 0.79600 0.02 . 2 . . . . B 115 LEU HD22 . 30606 1 1206 . 2 2 15 15 LEU HD23 H 1 0.79600 0.02 . 2 . . . . B 115 LEU HD23 . 30606 1 1207 . 2 2 15 15 LEU C C 13 180.56 0.2 . 1 . . . . B 115 LEU C . 30606 1 1208 . 2 2 15 15 LEU CA C 13 58.126 0.2 . 1 . . . . B 115 LEU CA . 30606 1 1209 . 2 2 15 15 LEU CB C 13 41.776 0.2 . 1 . . . . B 115 LEU CB . 30606 1 1210 . 2 2 15 15 LEU CG C 13 25.780 0.2 . 1 . . . . B 115 LEU CG . 30606 1 1211 . 2 2 15 15 LEU CD1 C 13 25.390 0.2 . 2 . . . . B 115 LEU CD1 . 30606 1 1212 . 2 2 15 15 LEU CD2 C 13 23.150 0.2 . 2 . . . . B 115 LEU CD2 . 30606 1 1213 . 2 2 15 15 LEU N N 15 121.41 0.2 . 1 . . . . B 115 LEU N . 30606 1 1214 . 2 2 16 16 LYS H H 1 8.3540 0.02 . 1 . . . . B 116 LYS H . 30606 1 1215 . 2 2 16 16 LYS HA H 1 4.2170 0.02 . 1 . . . . B 116 LYS HA . 30606 1 1216 . 2 2 16 16 LYS C C 13 178.03 0.2 . 1 . . . . B 116 LYS C . 30606 1 1217 . 2 2 16 16 LYS CA C 13 60.218 0.2 . 1 . . . . B 116 LYS CA . 30606 1 1218 . 2 2 16 16 LYS CB C 13 30.200 0.2 . 1 . . . . B 116 LYS CB . 30606 1 1219 . 2 2 16 16 LYS N N 15 123.80 0.2 . 1 . . . . B 116 LYS N . 30606 1 1220 . 2 2 17 17 ASN H H 1 8.0840 0.02 . 1 . . . . B 117 ASN H . 30606 1 1221 . 2 2 17 17 ASN HA H 1 4.1690 0.02 . 1 . . . . B 117 ASN HA . 30606 1 1222 . 2 2 17 17 ASN HB2 H 1 2.8130 0.02 . 2 . . . . B 117 ASN HB2 . 30606 1 1223 . 2 2 17 17 ASN HB3 H 1 2.8130 0.02 . 2 . . . . B 117 ASN HB3 . 30606 1 1224 . 2 2 17 17 ASN C C 13 178.32 0.2 . 1 . . . . B 117 ASN C . 30606 1 1225 . 2 2 17 17 ASN CA C 13 56.249 0.2 . 1 . . . . B 117 ASN CA . 30606 1 1226 . 2 2 17 17 ASN CB C 13 37.726 0.2 . 1 . . . . B 117 ASN CB . 30606 1 1227 . 2 2 17 17 ASN N N 15 118.25 0.2 . 1 . . . . B 117 ASN N . 30606 1 1228 . 2 2 18 18 GLU H H 1 8.0530 0.02 . 1 . . . . B 118 GLU H . 30606 1 1229 . 2 2 18 18 GLU HA H 1 4.0540 0.02 . 1 . . . . B 118 GLU HA . 30606 1 1230 . 2 2 18 18 GLU HB2 H 1 2.1350 0.02 . 2 . . . . B 118 GLU HB2 . 30606 1 1231 . 2 2 18 18 GLU HB3 H 1 2.1350 0.02 . 2 . . . . B 118 GLU HB3 . 30606 1 1232 . 2 2 18 18 GLU HG2 H 1 2.4140 0.02 . 2 . . . . B 118 GLU HG2 . 30606 1 1233 . 2 2 18 18 GLU HG3 H 1 2.4140 0.02 . 2 . . . . B 118 GLU HG3 . 30606 1 1234 . 2 2 18 18 GLU C C 13 178.81 0.2 . 1 . . . . B 118 GLU C . 30606 1 1235 . 2 2 18 18 GLU CA C 13 59.597 0.2 . 1 . . . . B 118 GLU CA . 30606 1 1236 . 2 2 18 18 GLU CB C 13 30.161 0.2 . 1 . . . . B 118 GLU CB . 30606 1 1237 . 2 2 18 18 GLU CG C 13 36.761 0.2 . 1 . . . . B 118 GLU CG . 30606 1 1238 . 2 2 18 18 GLU N N 15 120.54 0.2 . 1 . . . . B 118 GLU N . 30606 1 1239 . 2 2 19 19 ARG H H 1 7.8630 0.02 . 1 . . . . B 119 ARG H . 30606 1 1240 . 2 2 19 19 ARG HA H 1 4.2190 0.02 . 1 . . . . B 119 ARG HA . 30606 1 1241 . 2 2 19 19 ARG C C 13 180.50 0.2 . 1 . . . . B 119 ARG C . 30606 1 1242 . 2 2 19 19 ARG CA C 13 59.647 0.2 . 1 . . . . B 119 ARG CA . 30606 1 1243 . 2 2 19 19 ARG CB C 13 30.532 0.2 . 1 . . . . B 119 ARG CB . 30606 1 1244 . 2 2 19 19 ARG N N 15 120.49 0.2 . 1 . . . . B 119 ARG N . 30606 1 1245 . 2 2 20 20 HIS H H 1 8.4160 0.02 . 1 . . . . B 120 HIS H . 30606 1 1246 . 2 2 20 20 HIS HA H 1 4.4430 0.02 . 1 . . . . B 120 HIS HA . 30606 1 1247 . 2 2 20 20 HIS HB2 H 1 3.1740 0.02 . 2 . . . . B 120 HIS HB2 . 30606 1 1248 . 2 2 20 20 HIS HB3 H 1 3.1740 0.02 . 2 . . . . B 120 HIS HB3 . 30606 1 1249 . 2 2 20 20 HIS C C 13 177.89 0.2 . 1 . . . . B 120 HIS C . 30606 1 1250 . 2 2 20 20 HIS CA C 13 59.354 0.2 . 1 . . . . B 120 HIS CA . 30606 1 1251 . 2 2 20 20 HIS CB C 13 30.412 0.2 . 1 . . . . B 120 HIS CB . 30606 1 1252 . 2 2 20 20 HIS N N 15 119.97 0.2 . 1 . . . . B 120 HIS N . 30606 1 1253 . 2 2 21 21 GLU H H 1 8.4930 0.02 . 1 . . . . B 121 GLU H . 30606 1 1254 . 2 2 21 21 GLU HA H 1 4.1920 0.02 . 1 . . . . B 121 GLU HA . 30606 1 1255 . 2 2 21 21 GLU HB2 H 1 2.2040 0.02 . 2 . . . . B 121 GLU HB2 . 30606 1 1256 . 2 2 21 21 GLU HB3 H 1 2.2040 0.02 . 2 . . . . B 121 GLU HB3 . 30606 1 1257 . 2 2 21 21 GLU HG2 H 1 2.2800 0.02 . 2 . . . . B 121 GLU HG2 . 30606 1 1258 . 2 2 21 21 GLU HG3 H 1 2.2800 0.02 . 2 . . . . B 121 GLU HG3 . 30606 1 1259 . 2 2 21 21 GLU C C 13 179.08 0.2 . 1 . . . . B 121 GLU C . 30606 1 1260 . 2 2 21 21 GLU CA C 13 58.541 0.2 . 1 . . . . B 121 GLU CA . 30606 1 1261 . 2 2 21 21 GLU CB C 13 29.563 0.2 . 1 . . . . B 121 GLU CB . 30606 1 1262 . 2 2 21 21 GLU CG C 13 36.233 0.2 . 1 . . . . B 121 GLU CG . 30606 1 1263 . 2 2 21 21 GLU N N 15 123.35 0.2 . 1 . . . . B 121 GLU N . 30606 1 1264 . 2 2 22 22 GLU H H 1 8.3220 0.02 . 1 . . . . B 122 GLU H . 30606 1 1265 . 2 2 22 22 GLU HA H 1 4.0600 0.02 . 1 . . . . B 122 GLU HA . 30606 1 1266 . 2 2 22 22 GLU HB2 H 1 1.9510 0.02 . 2 . . . . B 122 GLU HB2 . 30606 1 1267 . 2 2 22 22 GLU HB3 H 1 1.9510 0.02 . 2 . . . . B 122 GLU HB3 . 30606 1 1268 . 2 2 22 22 GLU HG2 H 1 2.2590 0.02 . 2 . . . . B 122 GLU HG2 . 30606 1 1269 . 2 2 22 22 GLU HG3 H 1 2.2590 0.02 . 2 . . . . B 122 GLU HG3 . 30606 1 1270 . 2 2 22 22 GLU C C 13 179.00 0.2 . 1 . . . . B 122 GLU C . 30606 1 1271 . 2 2 22 22 GLU CA C 13 59.314 0.2 . 1 . . . . B 122 GLU CA . 30606 1 1272 . 2 2 22 22 GLU CB C 13 29.281 0.2 . 1 . . . . B 122 GLU CB . 30606 1 1273 . 2 2 22 22 GLU CG C 13 36.330 0.2 . 1 . . . . B 122 GLU CG . 30606 1 1274 . 2 2 22 22 GLU N N 15 120.47 0.2 . 1 . . . . B 122 GLU N . 30606 1 1275 . 2 2 23 23 ALA H H 1 8.0320 0.02 . 1 . . . . B 123 ALA H . 30606 1 1276 . 2 2 23 23 ALA HA H 1 4.2200 0.02 . 1 . . . . B 123 ALA HA . 30606 1 1277 . 2 2 23 23 ALA HB1 H 1 1.4910 0.02 . 1 . . . . B 123 ALA HB1 . 30606 1 1278 . 2 2 23 23 ALA HB2 H 1 1.4910 0.02 . 1 . . . . B 123 ALA HB2 . 30606 1 1279 . 2 2 23 23 ALA HB3 H 1 1.4910 0.02 . 1 . . . . B 123 ALA HB3 . 30606 1 1280 . 2 2 23 23 ALA C C 13 180.34 0.2 . 1 . . . . B 123 ALA C . 30606 1 1281 . 2 2 23 23 ALA CA C 13 54.665 0.2 . 1 . . . . B 123 ALA CA . 30606 1 1282 . 2 2 23 23 ALA CB C 13 18.590 0.2 . 1 . . . . B 123 ALA CB . 30606 1 1283 . 2 2 23 23 ALA N N 15 122.71 0.2 . 1 . . . . B 123 ALA N . 30606 1 1284 . 2 2 24 24 GLU H H 1 7.9550 0.02 . 1 . . . . B 124 GLU H . 30606 1 1285 . 2 2 24 24 GLU HA H 1 4.2070 0.02 . 1 . . . . B 124 GLU HA . 30606 1 1286 . 2 2 24 24 GLU HB2 H 1 2.1150 0.02 . 2 . . . . B 124 GLU HB2 . 30606 1 1287 . 2 2 24 24 GLU HB3 H 1 2.1150 0.02 . 2 . . . . B 124 GLU HB3 . 30606 1 1288 . 2 2 24 24 GLU HG2 H 1 2.1410 0.02 . 2 . . . . B 124 GLU HG2 . 30606 1 1289 . 2 2 24 24 GLU HG3 H 1 2.1410 0.02 . 2 . . . . B 124 GLU HG3 . 30606 1 1290 . 2 2 24 24 GLU C C 13 178.27 0.2 . 1 . . . . B 124 GLU C . 30606 1 1291 . 2 2 24 24 GLU CA C 13 58.394 0.2 . 1 . . . . B 124 GLU CA . 30606 1 1292 . 2 2 24 24 GLU CB C 13 29.266 0.2 . 1 . . . . B 124 GLU CB . 30606 1 1293 . 2 2 24 24 GLU N N 15 121.02 0.2 . 1 . . . . B 124 GLU N . 30606 1 1294 . 2 2 25 25 LEU H H 1 7.9600 0.02 . 1 . . . . B 125 LEU H . 30606 1 1295 . 2 2 25 25 LEU HA H 1 4.1680 0.02 . 1 . . . . B 125 LEU HA . 30606 1 1296 . 2 2 25 25 LEU HB2 H 1 1.6030 0.02 . 2 . . . . B 125 LEU HB2 . 30606 1 1297 . 2 2 25 25 LEU HB3 H 1 1.6030 0.02 . 2 . . . . B 125 LEU HB3 . 30606 1 1298 . 2 2 25 25 LEU HG H 1 1.6610 0.02 . 1 . . . . B 125 LEU HG . 30606 1 1299 . 2 2 25 25 LEU HD11 H 1 0.83700 0.02 . 2 . . . . B 125 LEU HD11 . 30606 1 1300 . 2 2 25 25 LEU HD12 H 1 0.83700 0.02 . 2 . . . . B 125 LEU HD12 . 30606 1 1301 . 2 2 25 25 LEU HD13 H 1 0.83700 0.02 . 2 . . . . B 125 LEU HD13 . 30606 1 1302 . 2 2 25 25 LEU HD21 H 1 0.83700 0.02 . 2 . . . . B 125 LEU HD21 . 30606 1 1303 . 2 2 25 25 LEU HD22 H 1 0.83700 0.02 . 2 . . . . B 125 LEU HD22 . 30606 1 1304 . 2 2 25 25 LEU HD23 H 1 0.83700 0.02 . 2 . . . . B 125 LEU HD23 . 30606 1 1305 . 2 2 25 25 LEU C C 13 179.91 0.2 . 1 . . . . B 125 LEU C . 30606 1 1306 . 2 2 25 25 LEU CA C 13 58.440 0.2 . 1 . . . . B 125 LEU CA . 30606 1 1307 . 2 2 25 25 LEU CB C 13 41.710 0.2 . 1 . . . . B 125 LEU CB . 30606 1 1308 . 2 2 25 25 LEU CG C 13 27.150 0.2 . 1 . . . . B 125 LEU CG . 30606 1 1309 . 2 2 25 25 LEU CD1 C 13 25.590 0.2 . 2 . . . . B 125 LEU CD1 . 30606 1 1310 . 2 2 25 25 LEU CD2 C 13 23.590 0.2 . 2 . . . . B 125 LEU CD2 . 30606 1 1311 . 2 2 25 25 LEU N N 15 120.78 0.2 . 1 . . . . B 125 LEU N . 30606 1 1312 . 2 2 26 26 GLU H H 1 8.0510 0.02 . 1 . . . . B 126 GLU H . 30606 1 1313 . 2 2 26 26 GLU HA H 1 4.1680 0.02 . 1 . . . . B 126 GLU HA . 30606 1 1314 . 2 2 26 26 GLU HB2 H 1 2.0770 0.02 . 2 . . . . B 126 GLU HB2 . 30606 1 1315 . 2 2 26 26 GLU HB3 H 1 2.0770 0.02 . 2 . . . . B 126 GLU HB3 . 30606 1 1316 . 2 2 26 26 GLU HG2 H 1 2.2600 0.02 . 2 . . . . B 126 GLU HG2 . 30606 1 1317 . 2 2 26 26 GLU HG3 H 1 2.2600 0.02 . 2 . . . . B 126 GLU HG3 . 30606 1 1318 . 2 2 26 26 GLU C C 13 178.95 0.2 . 1 . . . . B 126 GLU C . 30606 1 1319 . 2 2 26 26 GLU CA C 13 57.000 0.2 . 1 . . . . B 126 GLU CA . 30606 1 1320 . 2 2 26 26 GLU CB C 13 29.680 0.2 . 1 . . . . B 126 GLU CB . 30606 1 1321 . 2 2 26 26 GLU CG C 13 36.350 0.2 . 1 . . . . B 126 GLU CG . 30606 1 1322 . 2 2 26 26 GLU N N 15 119.70 0.2 . 1 . . . . B 126 GLU N . 30606 1 1323 . 2 2 27 27 ARG H H 1 7.9700 0.02 . 1 . . . . B 127 ARG H . 30606 1 1324 . 2 2 27 27 ARG HA H 1 4.0710 0.02 . 1 . . . . B 127 ARG HA . 30606 1 1325 . 2 2 27 27 ARG HB2 H 1 1.8540 0.02 . 1 . . . . B 127 ARG HB2 . 30606 1 1326 . 2 2 27 27 ARG HB3 H 1 1.8540 0.02 . 1 . . . . B 127 ARG HB3 . 30606 1 1327 . 2 2 27 27 ARG HG2 H 1 1.9400 0.02 . 1 . . . . B 127 ARG HG2 . 30606 1 1328 . 2 2 27 27 ARG HG3 H 1 1.9400 0.02 . 1 . . . . B 127 ARG HG3 . 30606 1 1329 . 2 2 27 27 ARG HD3 H 1 2.5910 0.02 . 2 . . . . B 127 ARG HD3 . 30606 1 1330 . 2 2 27 27 ARG C C 13 178.79 0.2 . 1 . . . . B 127 ARG C . 30606 1 1331 . 2 2 27 27 ARG CA C 13 57.600 0.2 . 1 . . . . B 127 ARG CA . 30606 1 1332 . 2 2 27 27 ARG CB C 13 30.110 0.2 . 1 . . . . B 127 ARG CB . 30606 1 1333 . 2 2 27 27 ARG CD C 13 41.142 0.2 . 1 . . . . B 127 ARG CD . 30606 1 1334 . 2 2 27 27 ARG N N 15 122.43 0.2 . 1 . . . . B 127 ARG N . 30606 1 1335 . 2 2 28 28 LEU H H 1 8.2040 0.02 . 1 . . . . B 128 LEU H . 30606 1 1336 . 2 2 28 28 LEU HA H 1 4.0930 0.02 . 1 . . . . B 128 LEU HA . 30606 1 1337 . 2 2 28 28 LEU HB2 H 1 1.7840 0.02 . 2 . . . . B 128 LEU HB2 . 30606 1 1338 . 2 2 28 28 LEU HB3 H 1 1.7800 0.02 . 2 . . . . B 128 LEU HB3 . 30606 1 1339 . 2 2 28 28 LEU HG H 1 1.4940 0.02 . 1 . . . . B 128 LEU HG . 30606 1 1340 . 2 2 28 28 LEU HD11 H 1 0.81100 0.02 . 2 . . . . B 128 LEU HD11 . 30606 1 1341 . 2 2 28 28 LEU HD12 H 1 0.81100 0.02 . 2 . . . . B 128 LEU HD12 . 30606 1 1342 . 2 2 28 28 LEU HD13 H 1 0.81100 0.02 . 2 . . . . B 128 LEU HD13 . 30606 1 1343 . 2 2 28 28 LEU HD21 H 1 0.81100 0.02 . 2 . . . . B 128 LEU HD21 . 30606 1 1344 . 2 2 28 28 LEU HD22 H 1 0.81100 0.02 . 2 . . . . B 128 LEU HD22 . 30606 1 1345 . 2 2 28 28 LEU HD23 H 1 0.81100 0.02 . 2 . . . . B 128 LEU HD23 . 30606 1 1346 . 2 2 28 28 LEU C C 13 179.91 0.2 . 1 . . . . B 128 LEU C . 30606 1 1347 . 2 2 28 28 LEU CA C 13 57.634 0.2 . 1 . . . . B 128 LEU CA . 30606 1 1348 . 2 2 28 28 LEU CB C 13 41.950 0.2 . 1 . . . . B 128 LEU CB . 30606 1 1349 . 2 2 28 28 LEU CG C 13 27.190 0.2 . 1 . . . . B 128 LEU CG . 30606 1 1350 . 2 2 28 28 LEU CD1 C 13 23.230 0.2 . 1 . . . . B 128 LEU CD1 . 30606 1 1351 . 2 2 28 28 LEU CD2 C 13 25.140 0.2 . 1 . . . . B 128 LEU CD2 . 30606 1 1352 . 2 2 28 28 LEU N N 15 120.89 0.2 . 1 . . . . B 128 LEU N . 30606 1 1353 . 2 2 29 29 LYS H H 1 8.0130 0.02 . 1 . . . . B 129 LYS H . 30606 1 1354 . 2 2 29 29 LYS HA H 1 4.0880 0.02 . 1 . . . . B 129 LYS HA . 30606 1 1355 . 2 2 29 29 LYS HB2 H 1 1.8580 0.02 . 2 . . . . B 129 LYS HB2 . 30606 1 1356 . 2 2 29 29 LYS HB3 H 1 1.8580 0.02 . 2 . . . . B 129 LYS HB3 . 30606 1 1357 . 2 2 29 29 LYS HG2 H 1 1.5590 0.02 . 2 . . . . B 129 LYS HG2 . 30606 1 1358 . 2 2 29 29 LYS HG3 H 1 1.5590 0.02 . 2 . . . . B 129 LYS HG3 . 30606 1 1359 . 2 2 29 29 LYS C C 13 178.89 0.2 . 1 . . . . B 129 LYS C . 30606 1 1360 . 2 2 29 29 LYS CA C 13 59.028 0.2 . 1 . . . . B 129 LYS CA . 30606 1 1361 . 2 2 29 29 LYS CB C 13 32.566 0.2 . 1 . . . . B 129 LYS CB . 30606 1 1362 . 2 2 29 29 LYS CG C 13 25.130 0.2 . 1 . . . . B 129 LYS CG . 30606 1 1363 . 2 2 29 29 LYS CD C 13 29.744 0.2 . 1 . . . . B 129 LYS CD . 30606 1 1364 . 2 2 29 29 LYS N N 15 120.84 0.2 . 1 . . . . B 129 LYS N . 30606 1 1365 . 2 2 30 30 SER H H 1 8.0870 0.02 . 1 . . . . B 130 SER H . 30606 1 1366 . 2 2 30 30 SER HA H 1 4.1750 0.02 . 1 . . . . B 130 SER HA . 30606 1 1367 . 2 2 30 30 SER HB2 H 1 3.8750 0.02 . 2 . . . . B 130 SER HB2 . 30606 1 1368 . 2 2 30 30 SER HB3 H 1 3.8750 0.02 . 2 . . . . B 130 SER HB3 . 30606 1 1369 . 2 2 30 30 SER C C 13 176.24 0.2 . 1 . . . . B 130 SER C . 30606 1 1370 . 2 2 30 30 SER CA C 13 60.645 0.2 . 1 . . . . B 130 SER CA . 30606 1 1371 . 2 2 30 30 SER CB C 13 63.382 0.2 . 1 . . . . B 130 SER CB . 30606 1 1372 . 2 2 30 30 SER N N 15 116.70 0.2 . 1 . . . . B 130 SER N . 30606 1 1373 . 2 2 31 31 GLU H H 1 8.2650 0.02 . 1 . . . . B 131 GLU H . 30606 1 1374 . 2 2 31 31 GLU HA H 1 4.1560 0.02 . 1 . . . . B 131 GLU HA . 30606 1 1375 . 2 2 31 31 GLU HB2 H 1 1.9810 0.02 . 2 . . . . B 131 GLU HB2 . 30606 1 1376 . 2 2 31 31 GLU HB3 H 1 1.9810 0.02 . 2 . . . . B 131 GLU HB3 . 30606 1 1377 . 2 2 31 31 GLU HG2 H 1 2.2420 0.02 . 2 . . . . B 131 GLU HG2 . 30606 1 1378 . 2 2 31 31 GLU HG3 H 1 2.2420 0.02 . 2 . . . . B 131 GLU HG3 . 30606 1 1379 . 2 2 31 31 GLU C C 13 178.02 0.2 . 1 . . . . B 131 GLU C . 30606 1 1380 . 2 2 31 31 GLU CA C 13 58.288 0.2 . 1 . . . . B 131 GLU CA . 30606 1 1381 . 2 2 31 31 GLU CB C 13 29.850 0.2 . 1 . . . . B 131 GLU CB . 30606 1 1382 . 2 2 31 31 GLU CG C 13 36.606 0.2 . 1 . . . . B 131 GLU CG . 30606 1 1383 . 2 2 31 31 GLU N N 15 122.93 0.2 . 1 . . . . B 131 GLU N . 30606 1 1384 . 2 2 32 32 ALA H H 1 7.9390 0.02 . 1 . . . . B 132 ALA H . 30606 1 1385 . 2 2 32 32 ALA HA H 1 4.1640 0.02 . 1 . . . . B 132 ALA HA . 30606 1 1386 . 2 2 32 32 ALA HB1 H 1 1.3690 0.02 . 1 . . . . B 132 ALA HB1 . 30606 1 1387 . 2 2 32 32 ALA HB2 H 1 1.3690 0.02 . 1 . . . . B 132 ALA HB2 . 30606 1 1388 . 2 2 32 32 ALA HB3 H 1 1.3690 0.02 . 1 . . . . B 132 ALA HB3 . 30606 1 1389 . 2 2 32 32 ALA C C 13 178.79 0.2 . 1 . . . . B 132 ALA C . 30606 1 1390 . 2 2 32 32 ALA CA C 13 53.880 0.2 . 1 . . . . B 132 ALA CA . 30606 1 1391 . 2 2 32 32 ALA CB C 13 18.616 0.2 . 1 . . . . B 132 ALA CB . 30606 1 1392 . 2 2 32 32 ALA N N 15 123.58 0.2 . 1 . . . . B 132 ALA N . 30606 1 1393 . 2 2 33 33 ALA H H 1 7.9440 0.02 . 1 . . . . B 133 ALA H . 30606 1 1394 . 2 2 33 33 ALA HA H 1 4.1820 0.02 . 1 . . . . B 133 ALA HA . 30606 1 1395 . 2 2 33 33 ALA HB1 H 1 1.3880 0.02 . 1 . . . . B 133 ALA HB1 . 30606 1 1396 . 2 2 33 33 ALA HB2 H 1 1.3880 0.02 . 1 . . . . B 133 ALA HB2 . 30606 1 1397 . 2 2 33 33 ALA HB3 H 1 1.3880 0.02 . 1 . . . . B 133 ALA HB3 . 30606 1 1398 . 2 2 33 33 ALA C C 13 179.21 0.2 . 1 . . . . B 133 ALA C . 30606 1 1399 . 2 2 33 33 ALA CA C 13 58.890 0.2 . 1 . . . . B 133 ALA CA . 30606 1 1400 . 2 2 33 33 ALA CB C 13 18.591 0.2 . 1 . . . . B 133 ALA CB . 30606 1 1401 . 2 2 33 33 ALA N N 15 122.18 0.2 . 1 . . . . B 133 ALA N . 30606 1 1402 . 2 2 34 34 ASP H H 1 8.0750 0.02 . 1 . . . . B 134 ASP H . 30606 1 1403 . 2 2 34 34 ASP HA H 1 4.4830 0.02 . 1 . . . . B 134 ASP HA . 30606 1 1404 . 2 2 34 34 ASP HB2 H 1 2.6410 0.02 . 2 . . . . B 134 ASP HB2 . 30606 1 1405 . 2 2 34 34 ASP HB3 H 1 2.6410 0.02 . 2 . . . . B 134 ASP HB3 . 30606 1 1406 . 2 2 34 34 ASP C C 13 177.41 0.2 . 1 . . . . B 134 ASP C . 30606 1 1407 . 2 2 34 34 ASP CA C 13 55.800 0.2 . 1 . . . . B 134 ASP CA . 30606 1 1408 . 2 2 34 34 ASP CB C 13 41.113 0.2 . 1 . . . . B 134 ASP CB . 30606 1 1409 . 2 2 34 34 ASP N N 15 119.66 0.2 . 1 . . . . B 134 ASP N . 30606 1 1410 . 2 2 35 35 HIS H H 1 8.1470 0.02 . 1 . . . . B 135 HIS H . 30606 1 1411 . 2 2 35 35 HIS HA H 1 4.3140 0.02 . 1 . . . . B 135 HIS HA . 30606 1 1412 . 2 2 35 35 HIS HB2 H 1 3.2220 0.02 . 2 . . . . B 135 HIS HB2 . 30606 1 1413 . 2 2 35 35 HIS HB3 H 1 3.2220 0.02 . 2 . . . . B 135 HIS HB3 . 30606 1 1414 . 2 2 35 35 HIS C C 13 176.44 0.2 . 1 . . . . B 135 HIS C . 30606 1 1415 . 2 2 35 35 HIS CA C 13 58.299 0.2 . 1 . . . . B 135 HIS CA . 30606 1 1416 . 2 2 35 35 HIS CB C 13 29.444 0.2 . 1 . . . . B 135 HIS CB . 30606 1 1417 . 2 2 35 35 HIS N N 15 119.92 0.2 . 1 . . . . B 135 HIS N . 30606 1 1418 . 2 2 36 36 ASP H H 1 8.3800 0.02 . 1 . . . . B 136 ASP H . 30606 1 1419 . 2 2 36 36 ASP HA H 1 4.3830 0.02 . 1 . . . . B 136 ASP HA . 30606 1 1420 . 2 2 36 36 ASP HB2 H 1 2.6350 0.02 . 2 . . . . B 136 ASP HB2 . 30606 1 1421 . 2 2 36 36 ASP HB3 H 1 2.6350 0.02 . 2 . . . . B 136 ASP HB3 . 30606 1 1422 . 2 2 36 36 ASP C C 13 177.92 0.2 . 1 . . . . B 136 ASP C . 30606 1 1423 . 2 2 36 36 ASP CA C 13 56.159 0.2 . 1 . . . . B 136 ASP CA . 30606 1 1424 . 2 2 36 36 ASP CB C 13 40.584 0.2 . 1 . . . . B 136 ASP CB . 30606 1 1425 . 2 2 36 36 ASP N N 15 120.84 0.2 . 1 . . . . B 136 ASP N . 30606 1 1426 . 2 2 37 37 LYS H H 1 8.0560 0.02 . 1 . . . . B 137 LYS H . 30606 1 1427 . 2 2 37 37 LYS HA H 1 4.1910 0.02 . 1 . . . . B 137 LYS HA . 30606 1 1428 . 2 2 37 37 LYS CA C 13 56.860 0.2 . 1 . . . . B 137 LYS CA . 30606 1 1429 . 2 2 37 37 LYS CB C 13 32.920 0.2 . 1 . . . . B 137 LYS CB . 30606 1 1430 . 2 2 37 37 LYS CG C 13 24.660 0.2 . 1 . . . . B 137 LYS CG . 30606 1 1431 . 2 2 37 37 LYS N N 15 122.71 0.2 . 1 . . . . B 137 LYS N . 30606 1 1432 . 2 2 38 38 LYS H H 1 8.1140 0.02 . 1 . . . . B 138 LYS H . 30606 1 1433 . 2 2 38 38 LYS HA H 1 4.2330 0.02 . 1 . . . . B 138 LYS HA . 30606 1 1434 . 2 2 38 38 LYS HB2 H 1 1.7780 0.02 . 2 . . . . B 138 LYS HB2 . 30606 1 1435 . 2 2 38 38 LYS HB3 H 1 1.7780 0.02 . 2 . . . . B 138 LYS HB3 . 30606 1 1436 . 2 2 38 38 LYS HG2 H 1 1.3070 0.02 . 2 . . . . B 138 LYS HG2 . 30606 1 1437 . 2 2 38 38 LYS HG3 H 1 1.3070 0.02 . 2 . . . . B 138 LYS HG3 . 30606 1 1438 . 2 2 38 38 LYS HE2 H 1 3.0770 0.02 . 2 . . . . B 138 LYS HE2 . 30606 1 1439 . 2 2 38 38 LYS HE3 H 1 3.0770 0.02 . 2 . . . . B 138 LYS HE3 . 30606 1 1440 . 2 2 38 38 LYS C C 13 178.84 0.2 . 1 . . . . B 138 LYS C . 30606 1 1441 . 2 2 38 38 LYS CA C 13 56.310 0.2 . 1 . . . . B 138 LYS CA . 30606 1 1442 . 2 2 38 38 LYS CB C 13 32.500 0.2 . 1 . . . . B 138 LYS CB . 30606 1 1443 . 2 2 38 38 LYS CG C 13 24.060 0.2 . 1 . . . . B 138 LYS CG . 30606 1 1444 . 2 2 38 38 LYS CD C 13 29.040 0.2 . 1 . . . . B 138 LYS CD . 30606 1 1445 . 2 2 38 38 LYS N N 15 121.05 0.2 . 1 . . . . B 138 LYS N . 30606 1 1446 . 2 2 39 39 GLU H H 1 8.2270 0.02 . 1 . . . . B 139 GLU H . 30606 1 1447 . 2 2 39 39 GLU HA H 1 4.0740 0.02 . 1 . . . . B 139 GLU HA . 30606 1 1448 . 2 2 39 39 GLU HB2 H 1 1.9510 0.02 . 2 . . . . B 139 GLU HB2 . 30606 1 1449 . 2 2 39 39 GLU HB3 H 1 1.9510 0.02 . 2 . . . . B 139 GLU HB3 . 30606 1 1450 . 2 2 39 39 GLU HG2 H 1 2.2030 0.02 . 2 . . . . B 139 GLU HG2 . 30606 1 1451 . 2 2 39 39 GLU HG3 H 1 2.2030 0.02 . 2 . . . . B 139 GLU HG3 . 30606 1 1452 . 2 2 39 39 GLU C C 13 177.80 0.2 . 1 . . . . B 139 GLU C . 30606 1 1453 . 2 2 39 39 GLU CA C 13 57.990 0.2 . 1 . . . . B 139 GLU CA . 30606 1 1454 . 2 2 39 39 GLU CB C 13 29.681 0.2 . 1 . . . . B 139 GLU CB . 30606 1 1455 . 2 2 39 39 GLU CG C 13 36.131 0.2 . 1 . . . . B 139 GLU CG . 30606 1 1456 . 2 2 39 39 GLU N N 15 121.47 0.2 . 1 . . . . B 139 GLU N . 30606 1 1457 . 2 2 40 40 ALA H H 1 8.0450 0.02 . 1 . . . . B 140 ALA H . 30606 1 1458 . 2 2 40 40 ALA HA H 1 4.1900 0.02 . 1 . . . . B 140 ALA HA . 30606 1 1459 . 2 2 40 40 ALA HB1 H 1 1.4230 0.02 . 1 . . . . B 140 ALA HB1 . 30606 1 1460 . 2 2 40 40 ALA HB2 H 1 1.4230 0.02 . 1 . . . . B 140 ALA HB2 . 30606 1 1461 . 2 2 40 40 ALA HB3 H 1 1.4230 0.02 . 1 . . . . B 140 ALA HB3 . 30606 1 1462 . 2 2 40 40 ALA C C 13 179.99 0.2 . 1 . . . . B 140 ALA C . 30606 1 1463 . 2 2 40 40 ALA CA C 13 54.278 0.2 . 1 . . . . B 140 ALA CA . 30606 1 1464 . 2 2 40 40 ALA CB C 13 18.321 0.2 . 1 . . . . B 140 ALA CB . 30606 1 1465 . 2 2 40 40 ALA N N 15 123.61 0.2 . 1 . . . . B 140 ALA N . 30606 1 1466 . 2 2 41 41 GLU H H 1 8.0930 0.02 . 1 . . . . B 141 GLU H . 30606 1 1467 . 2 2 41 41 GLU HA H 1 4.0410 0.02 . 1 . . . . B 141 GLU HA . 30606 1 1468 . 2 2 41 41 GLU HB2 H 1 2.0070 0.02 . 2 . . . . B 141 GLU HB2 . 30606 1 1469 . 2 2 41 41 GLU HB3 H 1 2.0070 0.02 . 2 . . . . B 141 GLU HB3 . 30606 1 1470 . 2 2 41 41 GLU HG2 H 1 2.2760 0.02 . 2 . . . . B 141 GLU HG2 . 30606 1 1471 . 2 2 41 41 GLU HG3 H 1 2.2760 0.02 . 2 . . . . B 141 GLU HG3 . 30606 1 1472 . 2 2 41 41 GLU C C 13 177.97 0.2 . 1 . . . . B 141 GLU C . 30606 1 1473 . 2 2 41 41 GLU CA C 13 58.002 0.2 . 1 . . . . B 141 GLU CA . 30606 1 1474 . 2 2 41 41 GLU CB C 13 29.855 0.2 . 1 . . . . B 141 GLU CB . 30606 1 1475 . 2 2 41 41 GLU CG C 13 36.399 0.2 . 1 . . . . B 141 GLU CG . 30606 1 1476 . 2 2 41 41 GLU N N 15 119.85 0.2 . 1 . . . . B 141 GLU N . 30606 1 1477 . 2 2 42 42 ARG H H 1 7.9950 0.02 . 1 . . . . B 142 ARG H . 30606 1 1478 . 2 2 42 42 ARG HA H 1 4.0820 0.02 . 1 . . . . B 142 ARG HA . 30606 1 1479 . 2 2 42 42 ARG HB2 H 1 1.8310 0.02 . 2 . . . . B 142 ARG HB2 . 30606 1 1480 . 2 2 42 42 ARG HB3 H 1 1.8310 0.02 . 2 . . . . B 142 ARG HB3 . 30606 1 1481 . 2 2 42 42 ARG HG2 H 1 1.9200 0.02 . 2 . . . . B 142 ARG HG2 . 30606 1 1482 . 2 2 42 42 ARG HG3 H 1 1.9200 0.02 . 2 . . . . B 142 ARG HG3 . 30606 1 1483 . 2 2 42 42 ARG C C 13 178.04 0.2 . 1 . . . . B 142 ARG C . 30606 1 1484 . 2 2 42 42 ARG CA C 13 58.157 0.2 . 1 . . . . B 142 ARG CA . 30606 1 1485 . 2 2 42 42 ARG CB C 13 30.213 0.2 . 1 . . . . B 142 ARG CB . 30606 1 1486 . 2 2 42 42 ARG N N 15 121.65 0.2 . 1 . . . . B 142 ARG N . 30606 1 1487 . 2 2 43 43 LYS H H 1 8.1660 0.02 . 1 . . . . B 143 LYS H . 30606 1 1488 . 2 2 43 43 LYS HA H 1 4.0360 0.02 . 1 . . . . B 143 LYS HA . 30606 1 1489 . 2 2 43 43 LYS HB2 H 1 1.7470 0.02 . 2 . . . . B 143 LYS HB2 . 30606 1 1490 . 2 2 43 43 LYS HB3 H 1 1.7470 0.02 . 2 . . . . B 143 LYS HB3 . 30606 1 1491 . 2 2 43 43 LYS HG2 H 1 1.3600 0.02 . 2 . . . . B 143 LYS HG2 . 30606 1 1492 . 2 2 43 43 LYS HG3 H 1 1.3600 0.02 . 2 . . . . B 143 LYS HG3 . 30606 1 1493 . 2 2 43 43 LYS HD2 H 1 1.3600 0.02 . 2 . . . . B 143 LYS HD2 . 30606 1 1494 . 2 2 43 43 LYS HD3 H 1 1.3600 0.02 . 2 . . . . B 143 LYS HD3 . 30606 1 1495 . 2 2 43 43 LYS C C 13 177.53 0.2 . 1 . . . . B 143 LYS C . 30606 1 1496 . 2 2 43 43 LYS CA C 13 57.932 0.2 . 1 . . . . B 143 LYS CA . 30606 1 1497 . 2 2 43 43 LYS CB C 13 32.543 0.2 . 1 . . . . B 143 LYS CB . 30606 1 1498 . 2 2 43 43 LYS CG C 13 25.016 0.2 . 1 . . . . B 143 LYS CG . 30606 1 1499 . 2 2 43 43 LYS CD C 13 29.073 0.2 . 1 . . . . B 143 LYS CD . 30606 1 1500 . 2 2 43 43 LYS N N 15 121.40 0.2 . 1 . . . . B 143 LYS N . 30606 1 1501 . 2 2 44 44 ALA H H 1 7.9190 0.02 . 1 . . . . B 144 ALA H . 30606 1 1502 . 2 2 44 44 ALA HA H 1 4.1660 0.02 . 1 . . . . B 144 ALA HA . 30606 1 1503 . 2 2 44 44 ALA HB1 H 1 1.3680 0.02 . 1 . . . . B 144 ALA HB1 . 30606 1 1504 . 2 2 44 44 ALA HB2 H 1 1.3680 0.02 . 1 . . . . B 144 ALA HB2 . 30606 1 1505 . 2 2 44 44 ALA HB3 H 1 1.3680 0.02 . 1 . . . . B 144 ALA HB3 . 30606 1 1506 . 2 2 44 44 ALA C C 13 179.06 0.2 . 1 . . . . B 144 ALA C . 30606 1 1507 . 2 2 44 44 ALA CA C 13 53.648 0.2 . 1 . . . . B 144 ALA CA . 30606 1 1508 . 2 2 44 44 ALA CB C 13 18.623 0.2 . 1 . . . . B 144 ALA CB . 30606 1 1509 . 2 2 44 44 ALA N N 15 122.82 0.2 . 1 . . . . B 144 ALA N . 30606 1 1510 . 2 2 45 45 LEU H H 1 7.7710 0.02 . 1 . . . . B 145 LEU H . 30606 1 1511 . 2 2 45 45 LEU HA H 1 4.1690 0.02 . 1 . . . . B 145 LEU HA . 30606 1 1512 . 2 2 45 45 LEU HB2 H 1 1.6320 0.02 . 2 . . . . B 145 LEU HB2 . 30606 1 1513 . 2 2 45 45 LEU HB3 H 1 1.6320 0.02 . 2 . . . . B 145 LEU HB3 . 30606 1 1514 . 2 2 45 45 LEU HG H 1 1.6020 0.02 . 1 . . . . B 145 LEU HG . 30606 1 1515 . 2 2 45 45 LEU HD11 H 1 0.87500 0.02 . 2 . . . . B 145 LEU HD11 . 30606 1 1516 . 2 2 45 45 LEU HD12 H 1 0.87500 0.02 . 2 . . . . B 145 LEU HD12 . 30606 1 1517 . 2 2 45 45 LEU HD13 H 1 0.87500 0.02 . 2 . . . . B 145 LEU HD13 . 30606 1 1518 . 2 2 45 45 LEU HD21 H 1 0.87500 0.02 . 2 . . . . B 145 LEU HD21 . 30606 1 1519 . 2 2 45 45 LEU HD22 H 1 0.87500 0.02 . 2 . . . . B 145 LEU HD22 . 30606 1 1520 . 2 2 45 45 LEU HD23 H 1 0.87500 0.02 . 2 . . . . B 145 LEU HD23 . 30606 1 1521 . 2 2 45 45 LEU C C 13 178.33 0.2 . 1 . . . . B 145 LEU C . 30606 1 1522 . 2 2 45 45 LEU CA C 13 56.249 0.2 . 1 . . . . B 145 LEU CA . 30606 1 1523 . 2 2 45 45 LEU CB C 13 42.262 0.2 . 1 . . . . B 145 LEU CB . 30606 1 1524 . 2 2 45 45 LEU CG C 13 26.941 0.2 . 1 . . . . B 145 LEU CG . 30606 1 1525 . 2 2 45 45 LEU CD1 C 13 23.698 0.2 . 2 . . . . B 145 LEU CD1 . 30606 1 1526 . 2 2 45 45 LEU CD2 C 13 23.698 0.2 . 2 . . . . B 145 LEU CD2 . 30606 1 1527 . 2 2 45 45 LEU N N 15 120.04 0.2 . 1 . . . . B 145 LEU N . 30606 1 1528 . 2 2 46 46 GLU H H 1 8.0630 0.02 . 1 . . . . B 146 GLU H . 30606 1 1529 . 2 2 46 46 GLU HA H 1 4.0710 0.02 . 1 . . . . B 146 GLU HA . 30606 1 1530 . 2 2 46 46 GLU HB2 H 1 2.0030 0.02 . 2 . . . . B 146 GLU HB2 . 30606 1 1531 . 2 2 46 46 GLU HB3 H 1 2.0030 0.02 . 2 . . . . B 146 GLU HB3 . 30606 1 1532 . 2 2 46 46 GLU HG2 H 1 2.2200 0.02 . 2 . . . . B 146 GLU HG2 . 30606 1 1533 . 2 2 46 46 GLU HG3 H 1 2.2200 0.02 . 2 . . . . B 146 GLU HG3 . 30606 1 1534 . 2 2 46 46 GLU C C 13 177.20 0.2 . 1 . . . . B 146 GLU C . 30606 1 1535 . 2 2 46 46 GLU CA C 13 56.430 0.2 . 1 . . . . B 146 GLU CA . 30606 1 1536 . 2 2 46 46 GLU CB C 13 30.130 0.2 . 1 . . . . B 146 GLU CB . 30606 1 1537 . 2 2 46 46 GLU N N 15 120.68 0.2 . 1 . . . . B 146 GLU N . 30606 1 1538 . 2 2 47 47 ASP H H 1 8.1870 0.02 . 1 . . . . B 147 ASP H . 30606 1 1539 . 2 2 47 47 ASP HA H 1 4.4730 0.02 . 1 . . . . B 147 ASP HA . 30606 1 1540 . 2 2 47 47 ASP HB2 H 1 2.5190 0.02 . 2 . . . . B 147 ASP HB2 . 30606 1 1541 . 2 2 47 47 ASP HB3 H 1 2.5190 0.02 . 2 . . . . B 147 ASP HB3 . 30606 1 1542 . 2 2 47 47 ASP C C 13 176.56 0.2 . 1 . . . . B 147 ASP C . 30606 1 1543 . 2 2 47 47 ASP CA C 13 54.830 0.2 . 1 . . . . B 147 ASP CA . 30606 1 1544 . 2 2 47 47 ASP CB C 13 41.010 0.2 . 1 . . . . B 147 ASP CB . 30606 1 1545 . 2 2 47 47 ASP N N 15 120.86 0.2 . 1 . . . . B 147 ASP N . 30606 1 1546 . 2 2 48 48 LYS H H 1 7.9070 0.02 . 1 . . . . B 148 LYS H . 30606 1 1547 . 2 2 48 48 LYS HA H 1 4.1830 0.02 . 1 . . . . B 148 LYS HA . 30606 1 1548 . 2 2 48 48 LYS HB2 H 1 1.7600 0.02 . 2 . . . . B 148 LYS HB2 . 30606 1 1549 . 2 2 48 48 LYS HB3 H 1 1.7600 0.02 . 2 . . . . B 148 LYS HB3 . 30606 1 1550 . 2 2 48 48 LYS HG2 H 1 1.4100 0.02 . 2 . . . . B 148 LYS HG2 . 30606 1 1551 . 2 2 48 48 LYS HG3 H 1 1.4100 0.02 . 2 . . . . B 148 LYS HG3 . 30606 1 1552 . 2 2 48 48 LYS HD2 H 1 1.3800 0.02 . 2 . . . . B 148 LYS HD2 . 30606 1 1553 . 2 2 48 48 LYS HD3 H 1 1.3800 0.02 . 2 . . . . B 148 LYS HD3 . 30606 1 1554 . 2 2 48 48 LYS C C 13 176.81 0.2 . 1 . . . . B 148 LYS C . 30606 1 1555 . 2 2 48 48 LYS CA C 13 56.590 0.2 . 1 . . . . B 148 LYS CA . 30606 1 1556 . 2 2 48 48 LYS CB C 13 32.708 0.2 . 1 . . . . B 148 LYS CB . 30606 1 1557 . 2 2 48 48 LYS CG C 13 24.555 0.2 . 1 . . . . B 148 LYS CG . 30606 1 1558 . 2 2 48 48 LYS CE C 13 40.877 0.2 . 1 . . . . B 148 LYS CE . 30606 1 1559 . 2 2 48 48 LYS N N 15 121.17 0.2 . 1 . . . . B 148 LYS N . 30606 1 1560 . 2 2 49 49 LEU H H 1 8.0820 0.02 . 1 . . . . B 149 LEU H . 30606 1 1561 . 2 2 49 49 LEU HA H 1 4.2250 0.02 . 1 . . . . B 149 LEU HA . 30606 1 1562 . 2 2 49 49 LEU HB2 H 1 1.5580 0.02 . 2 . . . . B 149 LEU HB2 . 30606 1 1563 . 2 2 49 49 LEU HB3 H 1 1.5580 0.02 . 2 . . . . B 149 LEU HB3 . 30606 1 1564 . 2 2 49 49 LEU HG H 1 1.5580 0.02 . 1 . . . . B 149 LEU HG . 30606 1 1565 . 2 2 49 49 LEU HD11 H 1 0.80400 0.02 . 2 . . . . B 149 LEU HD11 . 30606 1 1566 . 2 2 49 49 LEU HD12 H 1 0.80400 0.02 . 2 . . . . B 149 LEU HD12 . 30606 1 1567 . 2 2 49 49 LEU HD13 H 1 0.80400 0.02 . 2 . . . . B 149 LEU HD13 . 30606 1 1568 . 2 2 49 49 LEU HD21 H 1 0.80400 0.02 . 2 . . . . B 149 LEU HD21 . 30606 1 1569 . 2 2 49 49 LEU HD22 H 1 0.80400 0.02 . 2 . . . . B 149 LEU HD22 . 30606 1 1570 . 2 2 49 49 LEU HD23 H 1 0.80400 0.02 . 2 . . . . B 149 LEU HD23 . 30606 1 1571 . 2 2 49 49 LEU C C 13 177.12 0.2 . 1 . . . . B 149 LEU C . 30606 1 1572 . 2 2 49 49 LEU CA C 13 55.274 0.2 . 1 . . . . B 149 LEU CA . 30606 1 1573 . 2 2 49 49 LEU CB C 13 42.131 0.2 . 1 . . . . B 149 LEU CB . 30606 1 1574 . 2 2 49 49 LEU CG C 13 27.051 0.2 . 1 . . . . B 149 LEU CG . 30606 1 1575 . 2 2 49 49 LEU CD1 C 13 24.830 0.2 . 2 . . . . B 149 LEU CD1 . 30606 1 1576 . 2 2 49 49 LEU CD2 C 13 23.400 0.2 . 2 . . . . B 149 LEU CD2 . 30606 1 1577 . 2 2 49 49 LEU N N 15 122.91 0.2 . 1 . . . . B 149 LEU N . 30606 1 1578 . 2 2 50 50 ALA H H 1 7.9570 0.02 . 1 . . . . B 150 ALA H . 30606 1 1579 . 2 2 50 50 ALA HA H 1 4.1800 0.02 . 1 . . . . B 150 ALA HA . 30606 1 1580 . 2 2 50 50 ALA HB1 H 1 1.2260 0.02 . 1 . . . . B 150 ALA HB1 . 30606 1 1581 . 2 2 50 50 ALA HB2 H 1 1.2260 0.02 . 1 . . . . B 150 ALA HB2 . 30606 1 1582 . 2 2 50 50 ALA HB3 H 1 1.2260 0.02 . 1 . . . . B 150 ALA HB3 . 30606 1 1583 . 2 2 50 50 ALA C C 13 177.00 0.2 . 1 . . . . B 150 ALA C . 30606 1 1584 . 2 2 50 50 ALA CA C 13 52.364 0.2 . 1 . . . . B 150 ALA CA . 30606 1 1585 . 2 2 50 50 ALA CB C 13 19.495 0.2 . 1 . . . . B 150 ALA CB . 30606 1 1586 . 2 2 50 50 ALA N N 15 124.43 0.2 . 1 . . . . B 150 ALA N . 30606 1 1587 . 2 2 51 51 ASP H H 1 8.0460 0.02 . 1 . . . . B 151 ASP H . 30606 1 1588 . 2 2 51 51 ASP HA H 1 4.4560 0.02 . 1 . . . . B 151 ASP HA . 30606 1 1589 . 2 2 51 51 ASP HB2 H 1 2.4810 0.02 . 2 . . . . B 151 ASP HB2 . 30606 1 1590 . 2 2 51 51 ASP HB3 H 1 2.4810 0.02 . 2 . . . . B 151 ASP HB3 . 30606 1 1591 . 2 2 51 51 ASP C C 13 174.78 0.2 . 1 . . . . B 151 ASP C . 30606 1 1592 . 2 2 51 51 ASP CA C 13 54.337 0.2 . 1 . . . . B 151 ASP CA . 30606 1 1593 . 2 2 51 51 ASP CB C 13 41.160 0.2 . 1 . . . . B 151 ASP CB . 30606 1 1594 . 2 2 51 51 ASP N N 15 120.28 0.2 . 1 . . . . B 151 ASP N . 30606 1 1595 . 2 2 52 52 TYR H H 1 7.4510 0.02 . 1 . . . . B 152 TYR H . 30606 1 1596 . 2 2 52 52 TYR HA H 1 4.2700 0.02 . 1 . . . . B 152 TYR HA . 30606 1 1597 . 2 2 52 52 TYR HB2 H 1 2.9070 0.02 . 2 . . . . B 152 TYR HB2 . 30606 1 1598 . 2 2 52 52 TYR HB3 H 1 2.9070 0.02 . 2 . . . . B 152 TYR HB3 . 30606 1 1599 . 2 2 52 52 TYR C C 13 179.30 0.2 . 1 . . . . B 152 TYR C . 30606 1 1600 . 2 2 52 52 TYR CA C 13 59.050 0.02 . 1 . . . . B 152 TYR CA . 30606 1 1601 . 2 2 52 52 TYR CB C 13 39.380 0.02 . 1 . . . . B 152 TYR CB . 30606 1 1602 . 2 2 52 52 TYR N N 15 125.05 0.2 . 1 . . . . B 152 TYR N . 30606 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 30606 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # PEAKLIST_VERSION 1.1 # PEAKLIST_DIMENSION 2 # 2019-04-21T18:10:25 yyuan1 # DU=G:/TopSpin, USER=yyuan1@ESC302642, NAME=K2-DL-VEK50RH2-pf1, EXPNO=2, PROCNO=1 # Manually picked peaks # F2# F1# F2[ppm] F1[ppm] Intensity Annotation 0 578.0 426.0 8.4879 122.0585 55236.71 1 503.0 213.0 9.1097 129.5466 61952.77 2 588.0 602.0 8.4050 115.8712 69857.94 3 467.0 526.0 9.4082 118.5430 82561.87 4 599.0 460.0 8.3138 120.8632 87188.63 5 644.0 378.0 7.9407 123.7460 90728.76 6 468.0 541.0 9.3999 118.0156 101067.30 7 681.0 805.0 7.6340 108.7346 102730.92 8 596.0 340.0 8.3387 125.0819 108262.46 9 454.0 363.0 9.5160 124.2733 112293.71 10 560.0 326.0 8.6372 125.5740 116091.29 11 538.0 391.0 8.8196 123.2889 122906.42 12 483.0 458.0 9.2756 120.9335 123989.31 13 593.0 783.0 8.3636 109.5081 131798.80 14 550.0 450.0 8.7201 121.2148 132014.10 15 474.0 557.0 9.3502 117.4532 137526.16 16 498.0 508.0 9.1512 119.1758 148927.70 17 515.0 433.0 9.0102 121.8124 153935.38 18 769.0 937.0 6.9043 104.0941 163470.54 19 672.0 387.0 7.7086 123.4296 164675.28 20 582.0 687.0 8.4548 112.8830 165368.18 21 671.0 743.0 7.7169 110.9143 177243.83 22 801.0 937.0 6.6390 104.0941 178567.09 23 862.0 764.0 6.1333 110.1760 179169.20 24 631.0 944.0 8.0485 103.8481 179426.03 25 540.0 370.0 8.8030 124.0272 181587.38 26 663.0 765.0 7.7832 110.1409 205564.02 27 689.0 377.0 7.5676 123.7811 208393.36 28 636.0 702.0 8.0070 112.3556 208530.59 29 732.0 743.0 7.2111 110.9143 220499.51 30 379.0 217.0 10.1378 129.4060 221498.59 31 696.0 805.0 7.5096 108.7346 223041.11 32 569.0 635.0 8.5625 114.7110 229678.14 33 501.0 879.0 9.1263 106.1331 237433.20 34 500.0 739.0 9.1346 111.0549 255692.60 35 156.0 101.0 11.9867 133.4840 258629.58 36 636.0 474.0 8.0070 120.3710 269659.61 37 433.0 268.0 9.6901 127.6130 281708.70 38 272.0 428.0 11.0250 121.9882 290201.24 39 682.0 509.0 7.6257 119.1406 313327.79 40 540.0 407.0 8.8030 122.7264 315403.92 41 541.0 435.0 8.7947 121.7421 331991.34 42 623.0 586.0 8.1148 116.4337 336858.05 43 561.0 519.0 8.6289 118.7891 337054.64 44 225.0 162.0 11.4146 131.3395 342970.55 45 620.0 748.0 8.1397 110.7385 348789.70 46 735.0 465.0 7.1862 120.6874 365839.59 47 665.0 668.0 7.7666 113.5509 366826.84 48 554.0 193.0 8.6869 130.2497 369100.38 49 509.0 788.0 9.0600 109.3323 377715.93 50 868.0 586.0 6.0835 116.4337 379525.30 51 522.0 654.0 8.9522 114.0431 384893.68 52 468.0 195.0 9.3999 130.1794 395237.55 53 430.0 435.0 9.7150 121.7421 399426.24 54 593.0 383.0 8.3636 123.5702 428877.46 55 689.0 410.0 7.5676 122.6210 438818.52 56 743.0 516.0 7.1199 118.8945 441033.62 57 638.0 832.0 7.9905 107.7854 444494.44 58 431.0 353.0 9.7067 124.6248 451065.97 59 552.0 243.0 8.7035 128.4919 463361.90 60 527.0 523.0 8.9108 118.6484 464302.31 61 682.0 447.0 7.6257 121.3202 471136.36 62 687.0 622.0 7.5842 115.1681 481867.49 63 673.0 689.0 7.7003 112.8127 485948.47 64 657.0 336.0 7.8329 125.2225 487502.85 65 507.0 308.0 9.0766 126.2068 493115.20 66 555.0 253.0 8.6786 128.1404 494429.16 67 631.0 644.0 8.0485 114.3946 496233.44 68 675.0 697.0 7.6837 112.5314 538947.45 69 452.0 382.0 9.5326 123.6053 554202.98 70 756.0 615.0 7.0121 115.4141 564633.05 71 553.0 414.0 8.6952 122.4804 597812.86 72 540.0 675.0 8.8030 113.3048 613625.20 73 657.0 666.0 7.8329 113.6212 613848.62 74 779.0 666.0 6.8214 113.6212 615012.87 75 552.0 304.0 8.7035 126.3474 717353.24 76 753.0 697.0 7.0370 112.5314 730237.52 77 591.0 401.0 8.3801 122.9374 823439.88 78 761.0 619.0 6.9707 115.2735 867448.02 79 615.0 551.0 8.1812 117.6641 873077.47 80 674.0 675.0 7.6920 113.3048 900993.95 81 640.0 620.0 7.9739 115.2384 920033.14 82 768.0 675.0 6.9126 113.3048 1107369.01 83 588.0 410.0 8.4050 122.6210 1291178.23 84 598.0 437.0 8.3221 121.6718 1517819.12 85 582.0 332.0 8.4548 125.3631 1831996.57 86 650.0 241.0 7.8910 128.5622 2143985.11 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . . 17 ppm . . . 4.7 . . 30606 1 2 . . N 15 N . . 36 ppm . . . 119 . . 30606 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 30606 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 Data Height ?-? 113.924 8.039 34920712 ?-? 115.623 8.304 27666924 ?-? 116.253 8.135 33233580 ?-? 117.277 7.732 17256388 ?-? 118.051 8.132 14974887 ?-? 118.773 8.441 12896284 ?-? 118.936 8.245 41156504 ?-? 119.003 8.120 50346200 ?-? 119.166 8.099 24203004 ?-? 119.376 8.129 59755844 ?-? 119.548 7.834 66482276 ?-? 119.692 7.916 14023821 ?-? 119.709 8.085 130912456 ?-? 119.989 8.383 14227513 ?-? 120.061 8.372 19955324 ?-? 120.102 8.111 78636904 ?-? 120.302 8.224 21194344 ?-? 120.319 8.065 28932884 ?-? 120.425 7.978 30885612 ?-? 120.429 8.469 50299324 ?-? 120.440 8.129 15298139 ?-? 120.573 8.238 96354472 ?-? 120.652 8.167 52375276 ?-? 120.852 7.973 92920312 ?-? 120.897 8.245 51643076 ?-? 120.946 8.483 11900823 ?-? 121.015 8.203 62290992 ?-? 121.150 8.036 61747156 ?-? 121.300 7.740 16097806 ?-? 121.622 7.991 48335040 ?-? 121.846 8.018 26032690 ?-? 121.966 8.342 88493504 ?-? 122.188 8.073 22450256 ?-? 122.209 8.410 19378780 ?-? 122.288 8.118 55224584 ?-? 122.397 8.317 34151956 ?-? 122.442 7.975 70328040 ?-? 122.492 8.135 113545288 ?-? 122.792 8.561 16927372 ?-? 122.925 7.902 22715656 ?-? 122.991 8.345 75536920 ?-? 123.044 8.087 64647488 ?-? 123.107 8.002 43987892 ?-? 123.277 8.409 13212019 ?-? 123.464 8.346 57713920 ?-? 123.880 8.014 146415376 ?-? 124.496 7.492 136169936 ?-? 124.882 8.514 108230080 ?-? 124.954 8.649 23983948 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . . 17 ppm . . . 4.7 . . 30606 2 2 . . N 15 N . . 28 ppm . . . 119 . . 30606 2 stop_ save_