data_18111 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18111 _Entry.Title ; Structure of T7 transcription factor Gp2-E. coli RNAp jaw domain complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-11-29 _Entry.Accession_date 2011-11-29 _Entry.Last_release_date 2012-01-11 _Entry.Original_release_date 2012-01-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Minhao Liu . . . . 18111 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18111 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Gp2-Jaw complex' . 18111 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18111 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 499 18111 '15N chemical shifts' 113 18111 '1H chemical shifts' 762 18111 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 . . 2012-01-25 . original BMRB . 18111 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LMC 'BMRB Entry Tracking System' 18111 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18111 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structure of T7 transcription factor Gp2-E. coli RNAp jaw domain complex ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Minhao Liu . . . . 18111 1 2 Stephen Matthews . J. . . 18111 1 3 Ellen James . . . . 18111 1 4 Carol Sheppard . . . . 18111 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18111 _Assembly.ID 1 _Assembly.Name 'T7 transcription factor Gp2-E. coli RNAp jaw domain complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 . yes native no no . . . 18111 1 2 entity_2 2 $entity_2 B . yes native no no . . . 18111 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 18111 _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 ; MGSSHHHHHHSSGLVPRGSH MSNVNTGSLSVDNKKFWATV ESSEHSFEVPIYAETLDEAL ELAEWQYVPAGFEVTRVRPC VAPK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6635.446 _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 . MET . 18111 1 2 . GLY . 18111 1 3 . SER . 18111 1 4 . SER . 18111 1 5 . HIS . 18111 1 6 . HIS . 18111 1 7 . HIS . 18111 1 8 . HIS . 18111 1 9 . HIS . 18111 1 10 . HIS . 18111 1 11 . SER . 18111 1 12 . SER . 18111 1 13 . GLY . 18111 1 14 . LEU . 18111 1 15 . VAL . 18111 1 16 . PRO . 18111 1 17 . ARG . 18111 1 18 . GLY . 18111 1 19 . SER . 18111 1 20 . HIS . 18111 1 21 . MET . 18111 1 22 . SER . 18111 1 23 . ASN . 18111 1 24 . VAL . 18111 1 25 . ASN . 18111 1 26 . THR . 18111 1 27 . GLY . 18111 1 28 . SER . 18111 1 29 . LEU . 18111 1 30 . SER . 18111 1 31 . VAL . 18111 1 32 . ASP . 18111 1 33 . ASN . 18111 1 34 . LYS . 18111 1 35 . LYS . 18111 1 36 . PHE . 18111 1 37 . TRP . 18111 1 38 . ALA . 18111 1 39 . THR . 18111 1 40 . VAL . 18111 1 41 . GLU . 18111 1 42 . SER . 18111 1 43 . SER . 18111 1 44 . GLU . 18111 1 45 . HIS . 18111 1 46 . SER . 18111 1 47 . PHE . 18111 1 48 . GLU . 18111 1 49 . VAL . 18111 1 50 . PRO . 18111 1 51 . ILE . 18111 1 52 . TYR . 18111 1 53 . ALA . 18111 1 54 . GLU . 18111 1 55 . THR . 18111 1 56 . LEU . 18111 1 57 . ASP . 18111 1 58 . GLU . 18111 1 59 . ALA . 18111 1 60 . LEU . 18111 1 61 . GLU . 18111 1 62 . LEU . 18111 1 63 . ALA . 18111 1 64 . GLU . 18111 1 65 . TRP . 18111 1 66 . GLN . 18111 1 67 . TYR . 18111 1 68 . VAL . 18111 1 69 . PRO . 18111 1 70 . ALA . 18111 1 71 . GLY . 18111 1 72 . PHE . 18111 1 73 . GLU . 18111 1 74 . VAL . 18111 1 75 . THR . 18111 1 76 . ARG . 18111 1 77 . VAL . 18111 1 78 . ARG . 18111 1 79 . PRO . 18111 1 80 . CYS . 18111 1 81 . VAL . 18111 1 82 . ALA . 18111 1 83 . PRO . 18111 1 84 . LYS . 18111 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18111 1 . GLY 2 2 18111 1 . SER 3 3 18111 1 . SER 4 4 18111 1 . HIS 5 5 18111 1 . HIS 6 6 18111 1 . HIS 7 7 18111 1 . HIS 8 8 18111 1 . HIS 9 9 18111 1 . HIS 10 10 18111 1 . SER 11 11 18111 1 . SER 12 12 18111 1 . GLY 13 13 18111 1 . LEU 14 14 18111 1 . VAL 15 15 18111 1 . PRO 16 16 18111 1 . ARG 17 17 18111 1 . GLY 18 18 18111 1 . SER 19 19 18111 1 . HIS 20 20 18111 1 . MET 21 21 18111 1 . SER 22 22 18111 1 . ASN 23 23 18111 1 . VAL 24 24 18111 1 . ASN 25 25 18111 1 . THR 26 26 18111 1 . GLY 27 27 18111 1 . SER 28 28 18111 1 . LEU 29 29 18111 1 . SER 30 30 18111 1 . VAL 31 31 18111 1 . ASP 32 32 18111 1 . ASN 33 33 18111 1 . LYS 34 34 18111 1 . LYS 35 35 18111 1 . PHE 36 36 18111 1 . TRP 37 37 18111 1 . ALA 38 38 18111 1 . THR 39 39 18111 1 . VAL 40 40 18111 1 . GLU 41 41 18111 1 . SER 42 42 18111 1 . SER 43 43 18111 1 . GLU 44 44 18111 1 . HIS 45 45 18111 1 . SER 46 46 18111 1 . PHE 47 47 18111 1 . GLU 48 48 18111 1 . VAL 49 49 18111 1 . PRO 50 50 18111 1 . ILE 51 51 18111 1 . TYR 52 52 18111 1 . ALA 53 53 18111 1 . GLU 54 54 18111 1 . THR 55 55 18111 1 . LEU 56 56 18111 1 . ASP 57 57 18111 1 . GLU 58 58 18111 1 . ALA 59 59 18111 1 . LEU 60 60 18111 1 . GLU 61 61 18111 1 . LEU 62 62 18111 1 . ALA 63 63 18111 1 . GLU 64 64 18111 1 . TRP 65 65 18111 1 . GLN 66 66 18111 1 . TYR 67 67 18111 1 . VAL 68 68 18111 1 . PRO 69 69 18111 1 . ALA 70 70 18111 1 . GLY 71 71 18111 1 . PHE 72 72 18111 1 . GLU 73 73 18111 1 . VAL 74 74 18111 1 . THR 75 75 18111 1 . ARG 76 76 18111 1 . VAL 77 77 18111 1 . ARG 78 78 18111 1 . PRO 79 79 18111 1 . CYS 80 80 18111 1 . VAL 81 81 18111 1 . ALA 82 82 18111 1 . PRO 83 83 18111 1 . LYS 84 84 18111 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 18111 _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 ; MGSSHHHHHHSSGLVPRGSH MKEPAILAEISGIVSFGKET KGKRRLVITPVDGSDPYEEM IPKWRQLNVFEGERVERGDV ISDG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6795.774 _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 . MET . 18111 2 2 . GLY . 18111 2 3 . SER . 18111 2 4 . SER . 18111 2 5 . HIS . 18111 2 6 . HIS . 18111 2 7 . HIS . 18111 2 8 . HIS . 18111 2 9 . HIS . 18111 2 10 . HIS . 18111 2 11 . SER . 18111 2 12 . SER . 18111 2 13 . GLY . 18111 2 14 . LEU . 18111 2 15 . VAL . 18111 2 16 . PRO . 18111 2 17 . ARG . 18111 2 18 . GLY . 18111 2 19 . SER . 18111 2 20 . HIS . 18111 2 21 . MET . 18111 2 22 . LYS . 18111 2 23 . GLU . 18111 2 24 . PRO . 18111 2 25 . ALA . 18111 2 26 . ILE . 18111 2 27 . LEU . 18111 2 28 . ALA . 18111 2 29 . GLU . 18111 2 30 . ILE . 18111 2 31 . SER . 18111 2 32 . GLY . 18111 2 33 . ILE . 18111 2 34 . VAL . 18111 2 35 . SER . 18111 2 36 . PHE . 18111 2 37 . GLY . 18111 2 38 . LYS . 18111 2 39 . GLU . 18111 2 40 . THR . 18111 2 41 . LYS . 18111 2 42 . GLY . 18111 2 43 . LYS . 18111 2 44 . ARG . 18111 2 45 . ARG . 18111 2 46 . LEU . 18111 2 47 . VAL . 18111 2 48 . ILE . 18111 2 49 . THR . 18111 2 50 . PRO . 18111 2 51 . VAL . 18111 2 52 . ASP . 18111 2 53 . GLY . 18111 2 54 . SER . 18111 2 55 . ASP . 18111 2 56 . PRO . 18111 2 57 . TYR . 18111 2 58 . GLU . 18111 2 59 . GLU . 18111 2 60 . MET . 18111 2 61 . ILE . 18111 2 62 . PRO . 18111 2 63 . LYS . 18111 2 64 . TRP . 18111 2 65 . ARG . 18111 2 66 . GLN . 18111 2 67 . LEU . 18111 2 68 . ASN . 18111 2 69 . VAL . 18111 2 70 . PHE . 18111 2 71 . GLU . 18111 2 72 . GLY . 18111 2 73 . GLU . 18111 2 74 . ARG . 18111 2 75 . VAL . 18111 2 76 . GLU . 18111 2 77 . ARG . 18111 2 78 . GLY . 18111 2 79 . ASP . 18111 2 80 . VAL . 18111 2 81 . ILE . 18111 2 82 . SER . 18111 2 83 . ASP . 18111 2 84 . GLY . 18111 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 . MET 1 1 18111 2 . GLY 2 2 18111 2 . SER 3 3 18111 2 . SER 4 4 18111 2 . HIS 5 5 18111 2 . HIS 6 6 18111 2 . HIS 7 7 18111 2 . HIS 8 8 18111 2 . HIS 9 9 18111 2 . HIS 10 10 18111 2 . SER 11 11 18111 2 . SER 12 12 18111 2 . GLY 13 13 18111 2 . LEU 14 14 18111 2 . VAL 15 15 18111 2 . PRO 16 16 18111 2 . ARG 17 17 18111 2 . GLY 18 18 18111 2 . SER 19 19 18111 2 . HIS 20 20 18111 2 . MET 21 21 18111 2 . LYS 22 22 18111 2 . GLU 23 23 18111 2 . PRO 24 24 18111 2 . ALA 25 25 18111 2 . ILE 26 26 18111 2 . LEU 27 27 18111 2 . ALA 28 28 18111 2 . GLU 29 29 18111 2 . ILE 30 30 18111 2 . SER 31 31 18111 2 . GLY 32 32 18111 2 . ILE 33 33 18111 2 . VAL 34 34 18111 2 . SER 35 35 18111 2 . PHE 36 36 18111 2 . GLY 37 37 18111 2 . LYS 38 38 18111 2 . GLU 39 39 18111 2 . THR 40 40 18111 2 . LYS 41 41 18111 2 . GLY 42 42 18111 2 . LYS 43 43 18111 2 . ARG 44 44 18111 2 . ARG 45 45 18111 2 . LEU 46 46 18111 2 . VAL 47 47 18111 2 . ILE 48 48 18111 2 . THR 49 49 18111 2 . PRO 50 50 18111 2 . VAL 51 51 18111 2 . ASP 52 52 18111 2 . GLY 53 53 18111 2 . SER 54 54 18111 2 . ASP 55 55 18111 2 . PRO 56 56 18111 2 . TYR 57 57 18111 2 . GLU 58 58 18111 2 . GLU 59 59 18111 2 . MET 60 60 18111 2 . ILE 61 61 18111 2 . PRO 62 62 18111 2 . LYS 63 63 18111 2 . TRP 64 64 18111 2 . ARG 65 65 18111 2 . GLN 66 66 18111 2 . LEU 67 67 18111 2 . ASN 68 68 18111 2 . VAL 69 69 18111 2 . PHE 70 70 18111 2 . GLU 71 71 18111 2 . GLY 72 72 18111 2 . GLU 73 73 18111 2 . ARG 74 74 18111 2 . VAL 75 75 18111 2 . GLU 76 76 18111 2 . ARG 77 77 18111 2 . GLY 78 78 18111 2 . ASP 79 79 18111 2 . VAL 80 80 18111 2 . ILE 81 81 18111 2 . SER 82 82 18111 2 . ASP 83 83 18111 2 . GLY 84 84 18111 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 18111 _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 . 10760 virus . 'Bacteriophage T7' . . . . . Bacteriophage T7 . . . . . . . . . . . Gp2 . 18111 1 2 2 $entity_2 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . RNAP . 18111 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 18111 _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' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28b+ . . . 18111 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28b+ . . . 18111 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18111 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'Gp2-Jaw complex' '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 300 . . mM . . . . 18111 1 2 'Gp2-Jaw complex' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 300 . . mM . . . . 18111 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18111 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18111 1 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 18111 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18111 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 18111 1 pH 6.5 . pH 18111 1 pressure 1 . atm 18111 1 temperature 303 . K 18111 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18111 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 18111 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18111 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18111 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18111 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DPX _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 18111 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 18111 1 2 spectrometer_2 Bruker DPX . 800 . . . 18111 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 18111 _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 $spectrometer_1 . . . . . . . . . . . . . . . . 18111 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_water_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode water_reference _Chem_shift_reference.Entry_ID 18111 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water 'methyl carbon' . . . . ppm 0 internal indirect 0.25 . . . . . 18111 1 H 1 water protons . . . . ppm 0 internal direct 1 . . . . . 18111 1 N 15 water nitrogen . . . . ppm 0 internal indirect 0.1 . . . . . 18111 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_Bacteriophage_T7_Gp2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Bacteriophage_T7_Gp2 _Assigned_chem_shift_list.Entry_ID 18111 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $water_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18111 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 26 26 THR H H 1 8.120 0.05 . 1 . . . A 26 THR HN . 18111 1 2 . 1 1 26 26 THR HA H 1 4.338 0.05 . 1 . . . A 26 THR HA . 18111 1 3 . 1 1 26 26 THR HB H 1 4.310 0.05 . 1 . . . A 26 THR HB . 18111 1 4 . 1 1 26 26 THR HG21 H 1 1.216 0.05 . 1 . . . A 26 THR HG21 . 18111 1 5 . 1 1 26 26 THR HG22 H 1 1.216 0.05 . 1 . . . A 26 THR HG22 . 18111 1 6 . 1 1 26 26 THR HG23 H 1 1.216 0.05 . 1 . . . A 26 THR HG23 . 18111 1 7 . 1 1 26 26 THR C C 13 174.245 0.5 . 1 . . . A 26 THR C . 18111 1 8 . 1 1 26 26 THR CA C 13 62.260 0.5 . 1 . . . A 26 THR CA . 18111 1 9 . 1 1 26 26 THR CB C 13 69.736 0.5 . 1 . . . A 26 THR CB . 18111 1 10 . 1 1 26 26 THR CG2 C 13 21.638 0.5 . 1 . . . A 26 THR CG2 . 18111 1 11 . 1 1 26 26 THR N N 15 114.147 0.5 . 1 . . . A 26 THR N . 18111 1 12 . 1 1 27 27 GLY H H 1 8.390 0.05 . 1 . . . A 27 GLY H . 18111 1 13 . 1 1 27 27 GLY HA2 H 1 3.985 0.05 . 2 . . . A 27 GLY HA2 . 18111 1 14 . 1 1 27 27 GLY HA3 H 1 3.988 0.05 . 2 . . . A 27 GLY HA3 . 18111 1 15 . 1 1 27 27 GLY C C 13 174.196 0.5 . 1 . . . A 27 GLY C . 18111 1 16 . 1 1 27 27 GLY CA C 13 45.575 0.5 . 1 . . . A 27 GLY CA . 18111 1 17 . 1 1 27 27 GLY N N 15 110.943 0.5 . 1 . . . A 27 GLY N . 18111 1 18 . 1 1 28 28 SER H H 1 8.116 0.05 . 1 . . . A 28 SER H . 18111 1 19 . 1 1 28 28 SER HA H 1 4.441 0.05 . 1 . . . A 28 SER HA . 18111 1 20 . 1 1 28 28 SER HB2 H 1 3.840 0.05 . 2 . . . A 28 SER HB2 . 18111 1 21 . 1 1 28 28 SER HB3 H 1 3.860 0.05 . 2 . . . A 28 SER HB3 . 18111 1 22 . 1 1 28 28 SER C C 13 174.365 0.5 . 1 . . . A 28 SER C . 18111 1 23 . 1 1 28 28 SER CA C 13 58.761 0.5 . 1 . . . A 28 SER CA . 18111 1 24 . 1 1 28 28 SER CB C 13 64.085 0.5 . 1 . . . A 28 SER CB . 18111 1 25 . 1 1 28 28 SER N N 15 115.527 0.5 . 1 . . . A 28 SER N . 18111 1 26 . 1 1 29 29 LEU H H 1 8.218 0.05 . 1 . . . A 29 LEU H . 18111 1 27 . 1 1 29 29 LEU HA H 1 4.395 0.05 . 1 . . . A 29 LEU HA . 18111 1 28 . 1 1 29 29 LEU HB2 H 1 1.602 0.05 . 2 . . . A 29 LEU HB2 . 18111 1 29 . 1 1 29 29 LEU HB3 H 1 1.602 0.05 . 2 . . . A 29 LEU HB3 . 18111 1 30 . 1 1 29 29 LEU HG H 1 1.615 0.05 . 1 . . . A 29 LEU HG . 18111 1 31 . 1 1 29 29 LEU HD11 H 1 0.911 0.05 . 2 . . . A 29 LEU HD11 . 18111 1 32 . 1 1 29 29 LEU HD12 H 1 0.911 0.05 . 2 . . . A 29 LEU HD12 . 18111 1 33 . 1 1 29 29 LEU HD13 H 1 0.911 0.05 . 2 . . . A 29 LEU HD13 . 18111 1 34 . 1 1 29 29 LEU HD21 H 1 0.855 0.05 . 2 . . . A 29 LEU HD21 . 18111 1 35 . 1 1 29 29 LEU HD22 H 1 0.855 0.05 . 2 . . . A 29 LEU HD22 . 18111 1 36 . 1 1 29 29 LEU HD23 H 1 0.855 0.05 . 2 . . . A 29 LEU HD23 . 18111 1 37 . 1 1 29 29 LEU C C 13 177.192 0.5 . 1 . . . A 29 LEU C . 18111 1 38 . 1 1 29 29 LEU CA C 13 55.403 0.5 . 1 . . . A 29 LEU CA . 18111 1 39 . 1 1 29 29 LEU CB C 13 42.299 0.5 . 1 . . . A 29 LEU CB . 18111 1 40 . 1 1 29 29 LEU CG C 13 27.008 0.5 . 1 . . . A 29 LEU CG . 18111 1 41 . 1 1 29 29 LEU CD1 C 13 24.824 0.5 . 1 . . . A 29 LEU CD1 . 18111 1 42 . 1 1 29 29 LEU CD2 C 13 23.367 0.5 . 1 . . . A 29 LEU CD2 . 18111 1 43 . 1 1 29 29 LEU N N 15 123.688 0.5 . 1 . . . A 29 LEU N . 18111 1 44 . 1 1 30 30 SER H H 1 8.211 0.05 . 1 . . . A 30 SER H . 18111 1 45 . 1 1 30 30 SER HA H 1 4.493 0.05 . 1 . . . A 30 SER HA . 18111 1 46 . 1 1 30 30 SER HB2 H 1 3.879 0.05 . 2 . . . A 30 SER HB2 . 18111 1 47 . 1 1 30 30 SER HB3 H 1 3.879 0.05 . 2 . . . A 30 SER HB3 . 18111 1 48 . 1 1 30 30 SER C C 13 174.721 0.5 . 1 . . . A 30 SER C . 18111 1 49 . 1 1 30 30 SER CA C 13 58.188 0.5 . 1 . . . A 30 SER CA . 18111 1 50 . 1 1 30 30 SER CB C 13 63.839 0.5 . 1 . . . A 30 SER CB . 18111 1 51 . 1 1 30 30 SER N N 15 116.604 0.5 . 1 . . . A 30 SER N . 18111 1 52 . 1 1 31 31 VAL H H 1 8.118 0.05 . 1 . . . A 31 VAL H . 18111 1 53 . 1 1 31 31 VAL HA H 1 4.159 0.05 . 1 . . . A 31 VAL HA . 18111 1 54 . 1 1 31 31 VAL HB H 1 2.090 0.05 . 1 . . . A 31 VAL HB . 18111 1 55 . 1 1 31 31 VAL HG11 H 1 0.926 0.05 . 2 . . . A 31 VAL HG11 . 18111 1 56 . 1 1 31 31 VAL HG12 H 1 0.926 0.05 . 2 . . . A 31 VAL HG12 . 18111 1 57 . 1 1 31 31 VAL HG13 H 1 0.926 0.05 . 2 . . . A 31 VAL HG13 . 18111 1 58 . 1 1 31 31 VAL HG21 H 1 0.917 0.05 . 2 . . . A 31 VAL HG21 . 18111 1 59 . 1 1 31 31 VAL HG22 H 1 0.917 0.05 . 2 . . . A 31 VAL HG22 . 18111 1 60 . 1 1 31 31 VAL HG23 H 1 0.917 0.05 . 2 . . . A 31 VAL HG23 . 18111 1 61 . 1 1 31 31 VAL C C 13 175.563 0.5 . 1 . . . A 31 VAL C . 18111 1 62 . 1 1 31 31 VAL CA C 13 62.447 0.5 . 1 . . . A 31 VAL CA . 18111 1 63 . 1 1 31 31 VAL CB C 13 32.716 0.5 . 1 . . . A 31 VAL CB . 18111 1 64 . 1 1 31 31 VAL CG1 C 13 21.365 0.5 . 1 . . . A 31 VAL CG1 . 18111 1 65 . 1 1 31 31 VAL CG2 C 13 20.090 0.5 . 1 . . . A 31 VAL CG2 . 18111 1 66 . 1 1 31 31 VAL N N 15 121.201 0.5 . 1 . . . A 31 VAL N . 18111 1 67 . 1 1 32 32 ASP H H 1 8.362 0.05 . 1 . . . A 32 ASP H . 18111 1 68 . 1 1 32 32 ASP HA H 1 4.598 0.05 . 1 . . . A 32 ASP HA . 18111 1 69 . 1 1 32 32 ASP HB2 H 1 2.519 0.05 . 2 . . . A 32 ASP HB2 . 18111 1 70 . 1 1 32 32 ASP HB3 H 1 2.748 0.05 . 2 . . . A 32 ASP HB3 . 18111 1 71 . 1 1 32 32 ASP C C 13 175.563 0.5 . 1 . . . A 32 ASP C . 18111 1 72 . 1 1 32 32 ASP CA C 13 54.175 0.5 . 1 . . . A 32 ASP CA . 18111 1 73 . 1 1 32 32 ASP CB C 13 40.988 0.5 . 1 . . . A 32 ASP CB . 18111 1 74 . 1 1 32 32 ASP N N 15 123.093 0.5 . 1 . . . A 32 ASP N . 18111 1 75 . 1 1 33 33 ASN H H 1 7.960 0.05 . 1 . . . A 33 ASN H . 18111 1 76 . 1 1 33 33 ASN HA H 1 4.623 0.05 . 1 . . . A 33 ASN HA . 18111 1 77 . 1 1 33 33 ASN HB2 H 1 2.722 0.05 . 2 . . . A 33 ASN HB2 . 18111 1 78 . 1 1 33 33 ASN HB3 H 1 2.722 0.05 . 2 . . . A 33 ASN HB3 . 18111 1 79 . 1 1 33 33 ASN HD21 H 1 7.410 0.05 . 2 . . . A 33 ASN HD21 . 18111 1 80 . 1 1 33 33 ASN HD22 H 1 6.730 0.05 . 2 . . . A 33 ASN HD22 . 18111 1 81 . 1 1 33 33 ASN C C 13 174.870 0.5 . 1 . . . A 33 ASN C . 18111 1 82 . 1 1 33 33 ASN CA C 13 53.438 0.5 . 1 . . . A 33 ASN CA . 18111 1 83 . 1 1 33 33 ASN CB C 13 39.514 0.5 . 1 . . . A 33 ASN CB . 18111 1 84 . 1 1 33 33 ASN N N 15 118.903 0.5 . 1 . . . A 33 ASN N . 18111 1 85 . 1 1 33 33 ASN ND2 N 15 110.750 0.5 . 1 . . . A 33 ASN ND2 . 18111 1 86 . 1 1 34 34 LYS H H 1 8.433 0.05 . 1 . . . A 34 LYS H . 18111 1 87 . 1 1 34 34 LYS HA H 1 4.441 0.05 . 1 . . . A 34 LYS HA . 18111 1 88 . 1 1 34 34 LYS HB2 H 1 1.833 0.05 . 2 . . . A 34 LYS HB2 . 18111 1 89 . 1 1 34 34 LYS HB3 H 1 1.720 0.05 . 2 . . . A 34 LYS HB3 . 18111 1 90 . 1 1 34 34 LYS HG2 H 1 1.439 0.05 . 2 . . . A 34 LYS HG2 . 18111 1 91 . 1 1 34 34 LYS HG3 H 1 1.439 0.05 . 2 . . . A 34 LYS HG3 . 18111 1 92 . 1 1 34 34 LYS HD2 H 1 1.692 0.05 . 2 . . . A 34 LYS HD2 . 18111 1 93 . 1 1 34 34 LYS HD3 H 1 1.692 0.05 . 2 . . . A 34 LYS HD3 . 18111 1 94 . 1 1 34 34 LYS HE2 H 1 3.017 0.05 . 2 . . . A 34 LYS HE2 . 18111 1 95 . 1 1 34 34 LYS HE3 H 1 3.017 0.05 . 2 . . . A 34 LYS HE3 . 18111 1 96 . 1 1 34 34 LYS C C 13 173.522 0.5 . 1 . . . A 34 LYS C . 18111 1 97 . 1 1 34 34 LYS CA C 13 55.895 0.5 . 1 . . . A 34 LYS CA . 18111 1 98 . 1 1 34 34 LYS CB C 13 34.027 0.5 . 1 . . . A 34 LYS CB . 18111 1 99 . 1 1 34 34 LYS CG C 13 24.514 0.5 . 1 . . . A 34 LYS CG . 18111 1 100 . 1 1 34 34 LYS CD C 13 28.901 0.5 . 1 . . . A 34 LYS CD . 18111 1 101 . 1 1 34 34 LYS CE C 13 42.062 0.5 . 1 . . . A 34 LYS CE . 18111 1 102 . 1 1 34 34 LYS N N 15 121.802 0.5 . 1 . . . A 34 LYS N . 18111 1 103 . 1 1 35 35 LYS H H 1 7.756 0.05 . 1 . . . A 35 LYS H . 18111 1 104 . 1 1 35 35 LYS HA H 1 4.211 0.05 . 1 . . . A 35 LYS HA . 18111 1 105 . 1 1 35 35 LYS HB2 H 1 1.317 0.05 . 2 . . . A 35 LYS HB2 . 18111 1 106 . 1 1 35 35 LYS HB3 H 1 1.317 0.05 . 2 . . . A 35 LYS HB3 . 18111 1 107 . 1 1 35 35 LYS HG2 H 1 0.333 0.05 . 2 . . . A 35 LYS HG2 . 18111 1 108 . 1 1 35 35 LYS HG3 H 1 0.333 0.05 . 2 . . . A 35 LYS HG3 . 18111 1 109 . 1 1 35 35 LYS HD2 H 1 1.386 0.05 . 2 . . . A 35 LYS HD2 . 18111 1 110 . 1 1 35 35 LYS HD3 H 1 1.386 0.05 . 2 . . . A 35 LYS HD3 . 18111 1 111 . 1 1 35 35 LYS HE2 H 1 2.067 0.05 . 2 . . . A 35 LYS HE2 . 18111 1 112 . 1 1 35 35 LYS HE3 H 1 2.369 0.05 . 2 . . . A 35 LYS HE3 . 18111 1 113 . 1 1 35 35 LYS C C 13 174.290 0.5 . 1 . . . A 35 LYS C . 18111 1 114 . 1 1 35 35 LYS CA C 13 55.649 0.5 . 1 . . . A 35 LYS CA . 18111 1 115 . 1 1 35 35 LYS CB C 13 35.091 0.5 . 1 . . . A 35 LYS CB . 18111 1 116 . 1 1 35 35 LYS CG C 13 25.097 0.5 . 1 . . . A 35 LYS CG . 18111 1 117 . 1 1 35 35 LYS CD C 13 29.648 0.5 . 1 . . . A 35 LYS CD . 18111 1 118 . 1 1 35 35 LYS CE C 13 41.755 0.5 . 1 . . . A 35 LYS CE . 18111 1 119 . 1 1 35 35 LYS N N 15 119.987 0.5 . 1 . . . A 35 LYS N . 18111 1 120 . 1 1 36 36 PHE H H 1 8.965 0.05 . 1 . . . A 36 PHE H . 18111 1 121 . 1 1 36 36 PHE HA H 1 4.707 0.05 . 1 . . . A 36 PHE HA . 18111 1 122 . 1 1 36 36 PHE HB2 H 1 2.530 0.05 . 2 . . . A 36 PHE HB2 . 18111 1 123 . 1 1 36 36 PHE HB3 H 1 2.530 0.05 . 2 . . . A 36 PHE HB3 . 18111 1 124 . 1 1 36 36 PHE HD1 H 1 6.811 0.05 . 3 . . . A 36 PHE HD1 . 18111 1 125 . 1 1 36 36 PHE HD2 H 1 6.811 0.05 . 3 . . . A 36 PHE HD2 . 18111 1 126 . 1 1 36 36 PHE HE1 H 1 7.145 0.05 . 3 . . . A 36 PHE HE1 . 18111 1 127 . 1 1 36 36 PHE HE2 H 1 7.145 0.05 . 3 . . . A 36 PHE HE2 . 18111 1 128 . 1 1 36 36 PHE HZ H 1 6.864 0.05 . 1 . . . A 36 PHE HZ . 18111 1 129 . 1 1 36 36 PHE C C 13 173.859 0.5 . 1 . . . A 36 PHE C . 18111 1 130 . 1 1 36 36 PHE CA C 13 55.860 0.5 . 1 . . . A 36 PHE CA . 18111 1 131 . 1 1 36 36 PHE CB C 13 42.217 0.5 . 1 . . . A 36 PHE CB . 18111 1 132 . 1 1 36 36 PHE CD1 C 13 131.760 0.5 . 3 . . . A 36 PHE CD1 . 18111 1 133 . 1 1 36 36 PHE CD2 C 13 131.760 0.5 . 3 . . . A 36 PHE CD2 . 18111 1 134 . 1 1 36 36 PHE CE1 C 13 131.213 0.5 . 3 . . . A 36 PHE CE1 . 18111 1 135 . 1 1 36 36 PHE CE2 C 13 131.213 0.5 . 3 . . . A 36 PHE CE2 . 18111 1 136 . 1 1 36 36 PHE CZ C 13 128.479 0.5 . 1 . . . A 36 PHE CZ . 18111 1 137 . 1 1 36 36 PHE N N 15 124.776 0.5 . 1 . . . A 36 PHE N . 18111 1 138 . 1 1 37 37 TRP H H 1 9.518 0.05 . 1 . . . A 37 TRP H . 18111 1 139 . 1 1 37 37 TRP HA H 1 5.473 0.05 . 1 . . . A 37 TRP HA . 18111 1 140 . 1 1 37 37 TRP HB2 H 1 2.894 0.05 . 2 . . . A 37 TRP HB2 . 18111 1 141 . 1 1 37 37 TRP HB3 H 1 2.894 0.05 . 2 . . . A 37 TRP HB3 . 18111 1 142 . 1 1 37 37 TRP HD1 H 1 6.811 0.05 . 1 . . . A 37 TRP HD1 . 18111 1 143 . 1 1 37 37 TRP HE1 H 1 10.220 0.05 . 1 . . . A 37 TRP HE1 . 18111 1 144 . 1 1 37 37 TRP HE3 H 1 7.238 0.05 . 1 . . . A 37 TRP HE3 . 18111 1 145 . 1 1 37 37 TRP HZ2 H 1 7.508 0.05 . 1 . . . A 37 TRP HZ2 . 18111 1 146 . 1 1 37 37 TRP C C 13 176.836 0.5 . 1 . . . A 37 TRP C . 18111 1 147 . 1 1 37 37 TRP CA C 13 55.076 0.5 . 1 . . . A 37 TRP CA . 18111 1 148 . 1 1 37 37 TRP CB C 13 32.225 0.5 . 1 . . . A 37 TRP CB . 18111 1 149 . 1 1 37 37 TRP CD1 C 13 126.838 0.5 . 1 . . . A 37 TRP CD1 . 18111 1 150 . 1 1 37 37 TRP CE3 C 13 120.275 0.5 . 1 . . . A 37 TRP CE3 . 18111 1 151 . 1 1 37 37 TRP CZ2 C 13 114.806 0.5 . 1 . . . A 37 TRP CZ2 . 18111 1 152 . 1 1 37 37 TRP N N 15 118.086 0.5 . 1 . . . A 37 TRP N . 18111 1 153 . 1 1 37 37 TRP NE1 N 15 128.196 0.5 . 1 . . . A 37 TRP NE1 . 18111 1 154 . 1 1 38 38 ALA H H 1 9.792 0.05 . 1 . . . A 38 ALA H . 18111 1 155 . 1 1 38 38 ALA HA H 1 5.554 0.05 . 1 . . . A 38 ALA HA . 18111 1 156 . 1 1 38 38 ALA HB1 H 1 1.179 0.05 . 1 . . . A 38 ALA HB1 . 18111 1 157 . 1 1 38 38 ALA HB2 H 1 1.179 0.05 . 1 . . . A 38 ALA HB2 . 18111 1 158 . 1 1 38 38 ALA HB3 H 1 1.179 0.05 . 1 . . . A 38 ALA HB3 . 18111 1 159 . 1 1 38 38 ALA C C 13 175.713 0.5 . 1 . . . A 38 ALA C . 18111 1 160 . 1 1 38 38 ALA CA C 13 49.916 0.5 . 1 . . . A 38 ALA CA . 18111 1 161 . 1 1 38 38 ALA CB C 13 20.677 0.5 . 1 . . . A 38 ALA CB . 18111 1 162 . 1 1 38 38 ALA N N 15 128.591 0.5 . 1 . . . A 38 ALA N . 18111 1 163 . 1 1 39 39 THR H H 1 9.270 0.05 . 1 . . . A 39 THR H . 18111 1 164 . 1 1 39 39 THR HB H 1 4.089 0.05 . 1 . . . A 39 THR HB . 18111 1 165 . 1 1 39 39 THR HG21 H 1 1.081 0.05 . 1 . . . A 39 THR HG21 . 18111 1 166 . 1 1 39 39 THR HG22 H 1 1.081 0.05 . 1 . . . A 39 THR HG22 . 18111 1 167 . 1 1 39 39 THR HG23 H 1 1.081 0.05 . 1 . . . A 39 THR HG23 . 18111 1 168 . 1 1 39 39 THR CA C 13 63.002 0.5 . 1 . . . A 39 THR CA . 18111 1 169 . 1 1 39 39 THR CB C 13 68.500 0.5 . 1 . . . A 39 THR CB . 18111 1 170 . 1 1 39 39 THR CG2 C 13 21.547 0.5 . 1 . . . A 39 THR CG2 . 18111 1 171 . 1 1 39 39 THR N N 15 122.058 0.5 . 1 . . . A 39 THR N . 18111 1 172 . 1 1 40 40 VAL H H 1 8.891 0.05 . 1 . . . A 40 VAL H . 18111 1 173 . 1 1 40 40 VAL HA H 1 4.996 0.05 . 1 . . . A 40 VAL HA . 18111 1 174 . 1 1 40 40 VAL HB H 1 0.963 0.05 . 1 . . . A 40 VAL HB . 18111 1 175 . 1 1 40 40 VAL HG11 H 1 0.105 0.05 . 2 . . . A 40 VAL HG11 . 18111 1 176 . 1 1 40 40 VAL HG12 H 1 0.105 0.05 . 2 . . . A 40 VAL HG12 . 18111 1 177 . 1 1 40 40 VAL HG13 H 1 0.105 0.05 . 2 . . . A 40 VAL HG13 . 18111 1 178 . 1 1 40 40 VAL HG21 H 1 -0.090 0.05 . 2 . . . A 40 VAL HG21 . 18111 1 179 . 1 1 40 40 VAL HG22 H 1 -0.090 0.05 . 2 . . . A 40 VAL HG22 . 18111 1 180 . 1 1 40 40 VAL HG23 H 1 -0.090 0.05 . 2 . . . A 40 VAL HG23 . 18111 1 181 . 1 1 40 40 VAL C C 13 174.646 0.5 . 1 . . . A 40 VAL C . 18111 1 182 . 1 1 40 40 VAL CA C 13 59.253 0.5 . 1 . . . A 40 VAL CA . 18111 1 183 . 1 1 40 40 VAL CB C 13 32.962 0.5 . 1 . . . A 40 VAL CB . 18111 1 184 . 1 1 40 40 VAL CG1 C 13 21.820 0.5 . 1 . . . A 40 VAL CG1 . 18111 1 185 . 1 1 40 40 VAL CG2 C 13 19.089 0.5 . 1 . . . A 40 VAL CG2 . 18111 1 186 . 1 1 40 40 VAL N N 15 124.388 0.5 . 1 . . . A 40 VAL N . 18111 1 187 . 1 1 41 41 GLU H H 1 9.220 0.05 . 1 . . . A 41 GLU H . 18111 1 188 . 1 1 41 41 GLU HA H 1 5.507 0.05 . 1 . . . A 41 GLU HA . 18111 1 189 . 1 1 41 41 GLU HB2 H 1 1.985 0.05 . 2 . . . A 41 GLU HB2 . 18111 1 190 . 1 1 41 41 GLU HB3 H 1 2.220 0.05 . 2 . . . A 41 GLU HB3 . 18111 1 191 . 1 1 41 41 GLU HG2 H 1 2.285 0.05 . 2 . . . A 41 GLU HG2 . 18111 1 192 . 1 1 41 41 GLU HG3 H 1 2.285 0.05 . 2 . . . A 41 GLU HG3 . 18111 1 193 . 1 1 41 41 GLU C C 13 176.162 0.5 . 1 . . . A 41 GLU C . 18111 1 194 . 1 1 41 41 GLU CA C 13 55.403 0.5 . 1 . . . A 41 GLU CA . 18111 1 195 . 1 1 41 41 GLU CB C 13 34.272 0.5 . 1 . . . A 41 GLU CB . 18111 1 196 . 1 1 41 41 GLU CG C 13 36.748 0.5 . 1 . . . A 41 GLU CG . 18111 1 197 . 1 1 41 41 GLU N N 15 120.682 0.5 . 1 . . . A 41 GLU N . 18111 1 198 . 1 1 42 42 SER H H 1 9.264 0.05 . 1 . . . A 42 SER H . 18111 1 199 . 1 1 42 42 SER CA C 13 56.468 0.5 . 1 . . . A 42 SER CA . 18111 1 200 . 1 1 42 42 SER N N 15 120.901 0.5 . 1 . . . A 42 SER N . 18111 1 201 . 1 1 43 43 SER HA H 1 4.208 0.05 . 1 . . . A 43 SER HA . 18111 1 202 . 1 1 43 43 SER HB2 H 1 3.956 0.05 . 2 . . . A 43 SER HB2 . 18111 1 203 . 1 1 43 43 SER HB3 H 1 3.968 0.05 . 2 . . . A 43 SER HB3 . 18111 1 204 . 1 1 43 43 SER C C 13 175.095 0.5 . 1 . . . A 43 SER C . 18111 1 205 . 1 1 43 43 SER CA C 13 61.136 0.5 . 1 . . . A 43 SER CA . 18111 1 206 . 1 1 43 43 SER CB C 13 62.856 0.5 . 1 . . . A 43 SER CB . 18111 1 207 . 1 1 44 44 GLU H H 1 8.049 0.05 . 1 . . . A 44 GLU H . 18111 1 208 . 1 1 44 44 GLU HA H 1 4.362 0.05 . 1 . . . A 44 GLU HA . 18111 1 209 . 1 1 44 44 GLU HB2 H 1 1.662 0.05 . 2 . . . A 44 GLU HB2 . 18111 1 210 . 1 1 44 44 GLU HB3 H 1 1.781 0.05 . 2 . . . A 44 GLU HB3 . 18111 1 211 . 1 1 44 44 GLU HG2 H 1 2.035 0.05 . 2 . . . A 44 GLU HG2 . 18111 1 212 . 1 1 44 44 GLU HG3 H 1 2.143 0.05 . 2 . . . A 44 GLU HG3 . 18111 1 213 . 1 1 44 44 GLU C C 13 175.526 0.5 . 1 . . . A 44 GLU C . 18111 1 214 . 1 1 44 44 GLU CA C 13 57.123 0.5 . 1 . . . A 44 GLU CA . 18111 1 215 . 1 1 44 44 GLU CB C 13 32.143 0.5 . 1 . . . A 44 GLU CB . 18111 1 216 . 1 1 44 44 GLU CG C 13 36.526 0.5 . 1 . . . A 44 GLU CG . 18111 1 217 . 1 1 44 44 GLU N N 15 116.492 0.5 . 1 . . . A 44 GLU N . 18111 1 218 . 1 1 45 45 HIS H H 1 7.653 0.05 . 1 . . . A 45 HIS H . 18111 1 219 . 1 1 45 45 HIS HA H 1 5.062 0.05 . 1 . . . A 45 HIS HA . 18111 1 220 . 1 1 45 45 HIS HB2 H 1 3.081 0.05 . 2 . . . A 45 HIS HB2 . 18111 1 221 . 1 1 45 45 HIS HB3 H 1 3.219 0.05 . 2 . . . A 45 HIS HB3 . 18111 1 222 . 1 1 45 45 HIS C C 13 173.485 0.5 . 1 . . . A 45 HIS C . 18111 1 223 . 1 1 45 45 HIS CA C 13 55.321 0.5 . 1 . . . A 45 HIS CA . 18111 1 224 . 1 1 45 45 HIS CB C 13 34.518 0.5 . 1 . . . A 45 HIS CB . 18111 1 225 . 1 1 45 45 HIS N N 15 116.615 0.5 . 1 . . . A 45 HIS N . 18111 1 226 . 1 1 46 46 SER H H 1 8.233 0.05 . 1 . . . A 46 SER H . 18111 1 227 . 1 1 46 46 SER HA H 1 5.466 0.05 . 1 . . . A 46 SER HA . 18111 1 228 . 1 1 46 46 SER HB2 H 1 3.740 0.05 . 2 . . . A 46 SER HB2 . 18111 1 229 . 1 1 46 46 SER HB3 H 1 3.741 0.05 . 2 . . . A 46 SER HB3 . 18111 1 230 . 1 1 46 46 SER C C 13 173.017 0.5 . 1 . . . A 46 SER C . 18111 1 231 . 1 1 46 46 SER CA C 13 57.287 0.5 . 1 . . . A 46 SER CA . 18111 1 232 . 1 1 46 46 SER CB C 13 65.395 0.5 . 1 . . . A 46 SER CB . 18111 1 233 . 1 1 46 46 SER N N 15 115.442 0.5 . 1 . . . A 46 SER N . 18111 1 234 . 1 1 47 47 PHE H H 1 8.791 0.05 . 1 . . . A 47 PHE H . 18111 1 235 . 1 1 47 47 PHE HA H 1 4.963 0.05 . 1 . . . A 47 PHE HA . 18111 1 236 . 1 1 47 47 PHE HB2 H 1 2.911 0.05 . 2 . . . A 47 PHE HB2 . 18111 1 237 . 1 1 47 47 PHE HB3 H 1 3.276 0.05 . 2 . . . A 47 PHE HB3 . 18111 1 238 . 1 1 47 47 PHE HD1 H 1 6.885 0.05 . 3 . . . A 47 PHE HD1 . 18111 1 239 . 1 1 47 47 PHE HD2 H 1 6.885 0.05 . 3 . . . A 47 PHE HD2 . 18111 1 240 . 1 1 47 47 PHE HE1 H 1 6.688 0.05 . 3 . . . A 47 PHE HE1 . 18111 1 241 . 1 1 47 47 PHE HE2 H 1 6.688 0.05 . 3 . . . A 47 PHE HE2 . 18111 1 242 . 1 1 47 47 PHE C C 13 172.605 0.5 . 1 . . . A 47 PHE C . 18111 1 243 . 1 1 47 47 PHE CA C 13 56.304 0.5 . 1 . . . A 47 PHE CA . 18111 1 244 . 1 1 47 47 PHE CB C 13 40.579 0.5 . 1 . . . A 47 PHE CB . 18111 1 245 . 1 1 47 47 PHE CD1 C 13 132.306 0.5 . 3 . . . A 47 PHE CD1 . 18111 1 246 . 1 1 47 47 PHE CD2 C 13 132.306 0.5 . 3 . . . A 47 PHE CD2 . 18111 1 247 . 1 1 47 47 PHE CE1 C 13 129.572 0.5 . 3 . . . A 47 PHE CE1 . 18111 1 248 . 1 1 47 47 PHE CE2 C 13 129.572 0.5 . 3 . . . A 47 PHE CE2 . 18111 1 249 . 1 1 47 47 PHE N N 15 120.907 0.5 . 1 . . . A 47 PHE N . 18111 1 250 . 1 1 48 48 GLU H H 1 8.482 0.05 . 1 . . . A 48 GLU H . 18111 1 251 . 1 1 48 48 GLU HA H 1 5.564 0.05 . 1 . . . A 48 GLU HA . 18111 1 252 . 1 1 48 48 GLU HB2 H 1 1.702 0.05 . 2 . . . A 48 GLU HB2 . 18111 1 253 . 1 1 48 48 GLU HB3 H 1 1.771 0.05 . 2 . . . A 48 GLU HB3 . 18111 1 254 . 1 1 48 48 GLU HG2 H 1 2.125 0.05 . 2 . . . A 48 GLU HG2 . 18111 1 255 . 1 1 48 48 GLU HG3 H 1 2.125 0.05 . 2 . . . A 48 GLU HG3 . 18111 1 256 . 1 1 48 48 GLU C C 13 176.611 0.5 . 1 . . . A 48 GLU C . 18111 1 257 . 1 1 48 48 GLU CA C 13 54.994 0.5 . 1 . . . A 48 GLU CA . 18111 1 258 . 1 1 48 48 GLU CB C 13 32.962 0.5 . 1 . . . A 48 GLU CB . 18111 1 259 . 1 1 48 48 GLU CG C 13 37.476 0.5 . 1 . . . A 48 GLU CG . 18111 1 260 . 1 1 48 48 GLU N N 15 118.591 0.5 . 1 . . . A 48 GLU N . 18111 1 261 . 1 1 49 49 VAL H H 1 9.341 0.05 . 1 . . . A 49 VAL H . 18111 1 262 . 1 1 49 49 VAL HA H 1 5.187 0.05 . 1 . . . A 49 VAL HA . 18111 1 263 . 1 1 49 49 VAL HB H 1 2.306 0.05 . 1 . . . A 49 VAL HB . 18111 1 264 . 1 1 49 49 VAL HG11 H 1 0.829 0.05 . 2 . . . A 49 VAL HG11 . 18111 1 265 . 1 1 49 49 VAL HG12 H 1 0.829 0.05 . 2 . . . A 49 VAL HG12 . 18111 1 266 . 1 1 49 49 VAL HG13 H 1 0.829 0.05 . 2 . . . A 49 VAL HG13 . 18111 1 267 . 1 1 49 49 VAL HG21 H 1 0.995 0.05 . 2 . . . A 49 VAL HG21 . 18111 1 268 . 1 1 49 49 VAL HG22 H 1 0.995 0.05 . 2 . . . A 49 VAL HG22 . 18111 1 269 . 1 1 49 49 VAL HG23 H 1 0.995 0.05 . 2 . . . A 49 VAL HG23 . 18111 1 270 . 1 1 49 49 VAL CA C 13 57.533 0.5 . 1 . . . A 49 VAL CA . 18111 1 271 . 1 1 49 49 VAL CB C 13 34.043 0.5 . 1 . . . A 49 VAL CB . 18111 1 272 . 1 1 49 49 VAL CG1 C 13 18.816 0.5 . 1 . . . A 49 VAL CG1 . 18111 1 273 . 1 1 49 49 VAL CG2 C 13 21.729 0.5 . 1 . . . A 49 VAL CG2 . 18111 1 274 . 1 1 49 49 VAL N N 15 118.507 0.5 . 1 . . . A 49 VAL N . 18111 1 275 . 1 1 50 50 PRO HA H 1 4.845 0.05 . 1 . . . A 50 PRO HA . 18111 1 276 . 1 1 50 50 PRO HB2 H 1 1.408 0.05 . 2 . . . A 50 PRO HB2 . 18111 1 277 . 1 1 50 50 PRO HB3 H 1 1.406 0.05 . 2 . . . A 50 PRO HB3 . 18111 1 278 . 1 1 50 50 PRO HG2 H 1 2.160 0.05 . 2 . . . A 50 PRO HG2 . 18111 1 279 . 1 1 50 50 PRO HG3 H 1 2.160 0.05 . 2 . . . A 50 PRO HG3 . 18111 1 280 . 1 1 50 50 PRO HD2 H 1 4.007 0.05 . 2 . . . A 50 PRO HD2 . 18111 1 281 . 1 1 50 50 PRO HD3 H 1 4.007 0.05 . 2 . . . A 50 PRO HD3 . 18111 1 282 . 1 1 50 50 PRO C C 13 176.087 0.5 . 1 . . . A 50 PRO C . 18111 1 283 . 1 1 50 50 PRO CA C 13 61.710 0.5 . 1 . . . A 50 PRO CA . 18111 1 284 . 1 1 50 50 PRO CB C 13 32.061 0.5 . 1 . . . A 50 PRO CB . 18111 1 285 . 1 1 50 50 PRO CG C 13 26.826 0.5 . 1 . . . A 50 PRO CG . 18111 1 286 . 1 1 50 50 PRO CD C 13 50.402 0.5 . 1 . . . A 50 PRO CD . 18111 1 287 . 1 1 51 51 ILE H H 1 8.801 0.05 . 1 . . . A 51 ILE H . 18111 1 288 . 1 1 51 51 ILE HA H 1 4.382 0.05 . 1 . . . A 51 ILE HA . 18111 1 289 . 1 1 51 51 ILE HB H 1 1.706 0.05 . 1 . . . A 51 ILE HB . 18111 1 290 . 1 1 51 51 ILE HG12 H 1 1.275 0.05 . 1 . . . A 51 ILE HG12 . 18111 1 291 . 1 1 51 51 ILE HG13 H 1 1.275 0.05 . 1 . . . A 51 ILE HG13 . 18111 1 292 . 1 1 51 51 ILE HG21 H 1 1.008 0.05 . 1 . . . A 51 ILE HG21 . 18111 1 293 . 1 1 51 51 ILE HG22 H 1 1.008 0.05 . 1 . . . A 51 ILE HG22 . 18111 1 294 . 1 1 51 51 ILE HG23 H 1 1.008 0.05 . 1 . . . A 51 ILE HG23 . 18111 1 295 . 1 1 51 51 ILE HD11 H 1 0.884 0.05 . 1 . . . A 51 ILE HD11 . 18111 1 296 . 1 1 51 51 ILE HD12 H 1 0.884 0.05 . 1 . . . A 51 ILE HD12 . 18111 1 297 . 1 1 51 51 ILE HD13 H 1 0.884 0.05 . 1 . . . A 51 ILE HD13 . 18111 1 298 . 1 1 51 51 ILE C C 13 174.234 0.5 . 1 . . . A 51 ILE C . 18111 1 299 . 1 1 51 51 ILE CA C 13 58.188 0.5 . 1 . . . A 51 ILE CA . 18111 1 300 . 1 1 51 51 ILE CB C 13 40.579 0.5 . 1 . . . A 51 ILE CB . 18111 1 301 . 1 1 51 51 ILE CG1 C 13 27.099 0.5 . 1 . . . A 51 ILE CG1 . 18111 1 302 . 1 1 51 51 ILE CG2 C 13 18.088 0.5 . 1 . . . A 51 ILE CG2 . 18111 1 303 . 1 1 51 51 ILE CD1 C 13 10.441 0.5 . 1 . . . A 51 ILE CD1 . 18111 1 304 . 1 1 51 51 ILE N N 15 123.316 0.5 . 1 . . . A 51 ILE N . 18111 1 305 . 1 1 52 52 TYR H H 1 8.489 0.05 . 1 . . . A 52 TYR H . 18111 1 306 . 1 1 52 52 TYR HA H 1 5.471 0.05 . 1 . . . A 52 TYR HA . 18111 1 307 . 1 1 52 52 TYR HB2 H 1 2.745 0.05 . 2 . . . A 52 TYR HB2 . 18111 1 308 . 1 1 52 52 TYR HB3 H 1 2.817 0.05 . 2 . . . A 52 TYR HB3 . 18111 1 309 . 1 1 52 52 TYR HD1 H 1 7.023 0.05 . 3 . . . A 52 TYR HD1 . 18111 1 310 . 1 1 52 52 TYR HD2 H 1 7.023 0.05 . 3 . . . A 52 TYR HD2 . 18111 1 311 . 1 1 52 52 TYR HE1 H 1 6.705 0.05 . 3 . . . A 52 TYR HE1 . 18111 1 312 . 1 1 52 52 TYR HE2 H 1 6.705 0.05 . 3 . . . A 52 TYR HE2 . 18111 1 313 . 1 1 52 52 TYR C C 13 174.945 0.5 . 1 . . . A 52 TYR C . 18111 1 314 . 1 1 52 52 TYR CA C 13 56.868 0.5 . 1 . . . A 52 TYR CA . 18111 1 315 . 1 1 52 52 TYR CB C 13 38.859 0.5 . 1 . . . A 52 TYR CB . 18111 1 316 . 1 1 52 52 TYR CD1 C 13 133.400 0.5 . 3 . . . A 52 TYR CD1 . 18111 1 317 . 1 1 52 52 TYR CD2 C 13 133.400 0.5 . 3 . . . A 52 TYR CD2 . 18111 1 318 . 1 1 52 52 TYR CE1 C 13 117.541 0.5 . 3 . . . A 52 TYR CE1 . 18111 1 319 . 1 1 52 52 TYR CE2 C 13 117.541 0.5 . 3 . . . A 52 TYR CE2 . 18111 1 320 . 1 1 52 52 TYR N N 15 126.356 0.5 . 1 . . . A 52 TYR N . 18111 1 321 . 1 1 53 53 ALA H H 1 8.869 0.05 . 1 . . . A 53 ALA H . 18111 1 322 . 1 1 53 53 ALA HA H 1 4.599 0.05 . 1 . . . A 53 ALA HA . 18111 1 323 . 1 1 53 53 ALA HB1 H 1 1.278 0.05 . 1 . . . A 53 ALA HB1 . 18111 1 324 . 1 1 53 53 ALA HB2 H 1 1.278 0.05 . 1 . . . A 53 ALA HB2 . 18111 1 325 . 1 1 53 53 ALA HB3 H 1 1.278 0.05 . 1 . . . A 53 ALA HB3 . 18111 1 326 . 1 1 53 53 ALA C C 13 176.274 0.5 . 1 . . . A 53 ALA C . 18111 1 327 . 1 1 53 53 ALA CA C 13 51.472 0.5 . 1 . . . A 53 ALA CA . 18111 1 328 . 1 1 53 53 ALA CB C 13 22.478 0.5 . 1 . . . A 53 ALA CB . 18111 1 329 . 1 1 53 53 ALA N N 15 124.004 0.5 . 1 . . . A 53 ALA N . 18111 1 330 . 1 1 54 54 GLU H H 1 9.114 0.05 . 1 . . . A 54 GLU H . 18111 1 331 . 1 1 54 54 GLU HA H 1 4.493 0.05 . 1 . . . A 54 GLU HA . 18111 1 332 . 1 1 54 54 GLU HB2 H 1 2.185 0.05 . 2 . . . A 54 GLU HB2 . 18111 1 333 . 1 1 54 54 GLU HB3 H 1 2.185 0.05 . 2 . . . A 54 GLU HB3 . 18111 1 334 . 1 1 54 54 GLU HG2 H 1 2.307 0.05 . 2 . . . A 54 GLU HG2 . 18111 1 335 . 1 1 54 54 GLU HG3 H 1 2.531 0.05 . 2 . . . A 54 GLU HG3 . 18111 1 336 . 1 1 54 54 GLU C C 13 177.398 0.5 . 1 . . . A 54 GLU C . 18111 1 337 . 1 1 54 54 GLU CA C 13 59.007 0.5 . 1 . . . A 54 GLU CA . 18111 1 338 . 1 1 54 54 GLU CB C 13 31.242 0.5 . 1 . . . A 54 GLU CB . 18111 1 339 . 1 1 54 54 GLU CG C 13 37.045 0.5 . 1 . . . A 54 GLU CG . 18111 1 340 . 1 1 54 54 GLU N N 15 117.162 0.5 . 1 . . . A 54 GLU N . 18111 1 341 . 1 1 55 55 THR H H 1 6.963 0.05 . 1 . . . A 55 THR H . 18111 1 342 . 1 1 55 55 THR HA H 1 4.806 0.05 . 1 . . . A 55 THR HA . 18111 1 343 . 1 1 55 55 THR HB H 1 4.540 0.05 . 1 . . . A 55 THR HB . 18111 1 344 . 1 1 55 55 THR HG21 H 1 1.239 0.05 . 1 . . . A 55 THR HG21 . 18111 1 345 . 1 1 55 55 THR HG22 H 1 1.239 0.05 . 1 . . . A 55 THR HG22 . 18111 1 346 . 1 1 55 55 THR HG23 H 1 1.239 0.05 . 1 . . . A 55 THR HG23 . 18111 1 347 . 1 1 55 55 THR C C 13 173.354 0.5 . 1 . . . A 55 THR C . 18111 1 348 . 1 1 55 55 THR CA C 13 58.597 0.5 . 1 . . . A 55 THR CA . 18111 1 349 . 1 1 55 55 THR CB C 13 73.913 0.5 . 1 . . . A 55 THR CB . 18111 1 350 . 1 1 55 55 THR CG2 C 13 21.772 0.5 . 1 . . . A 55 THR CG2 . 18111 1 351 . 1 1 55 55 THR N N 15 102.846 0.5 . 1 . . . A 55 THR N . 18111 1 352 . 1 1 56 56 LEU H H 1 8.869 0.05 . 1 . . . A 56 LEU H . 18111 1 353 . 1 1 56 56 LEU HA H 1 3.012 0.05 . 1 . . . A 56 LEU HA . 18111 1 354 . 1 1 56 56 LEU HB2 H 1 1.593 0.05 . 2 . . . A 56 LEU HB2 . 18111 1 355 . 1 1 56 56 LEU HB3 H 1 1.593 0.05 . 2 . . . A 56 LEU HB3 . 18111 1 356 . 1 1 56 56 LEU HG H 1 1.356 0.05 . 1 . . . A 56 LEU HG . 18111 1 357 . 1 1 56 56 LEU HD11 H 1 0.807 0.05 . 2 . . . A 56 LEU HD11 . 18111 1 358 . 1 1 56 56 LEU HD12 H 1 0.807 0.05 . 2 . . . A 56 LEU HD12 . 18111 1 359 . 1 1 56 56 LEU HD13 H 1 0.807 0.05 . 2 . . . A 56 LEU HD13 . 18111 1 360 . 1 1 56 56 LEU HD21 H 1 0.807 0.05 . 2 . . . A 56 LEU HD21 . 18111 1 361 . 1 1 56 56 LEU HD22 H 1 0.807 0.05 . 2 . . . A 56 LEU HD22 . 18111 1 362 . 1 1 56 56 LEU HD23 H 1 0.807 0.05 . 2 . . . A 56 LEU HD23 . 18111 1 363 . 1 1 56 56 LEU C C 13 177.136 0.5 . 1 . . . A 56 LEU C . 18111 1 364 . 1 1 56 56 LEU CA C 13 57.369 0.5 . 1 . . . A 56 LEU CA . 18111 1 365 . 1 1 56 56 LEU CB C 13 42.381 0.5 . 1 . . . A 56 LEU CB . 18111 1 366 . 1 1 56 56 LEU CG C 13 26.068 0.5 . 1 . . . A 56 LEU CG . 18111 1 367 . 1 1 56 56 LEU CD1 C 13 23.234 0.5 . 1 . . . A 56 LEU CD1 . 18111 1 368 . 1 1 56 56 LEU CD2 C 13 23.234 0.5 . 1 . . . A 56 LEU CD2 . 18111 1 369 . 1 1 56 56 LEU N N 15 123.263 0.5 . 1 . . . A 56 LEU N . 18111 1 370 . 1 1 57 57 ASP H H 1 7.933 0.05 . 1 . . . A 57 ASP H . 18111 1 371 . 1 1 57 57 ASP HA H 1 3.938 0.05 . 1 . . . A 57 ASP HA . 18111 1 372 . 1 1 57 57 ASP HB2 H 1 2.500 0.05 . 2 . . . A 57 ASP HB2 . 18111 1 373 . 1 1 57 57 ASP HB3 H 1 2.500 0.05 . 2 . . . A 57 ASP HB3 . 18111 1 374 . 1 1 57 57 ASP CA C 13 57.369 0.5 . 1 . . . A 57 ASP CA . 18111 1 375 . 1 1 57 57 ASP CB C 13 40.715 0.5 . 1 . . . A 57 ASP CB . 18111 1 376 . 1 1 57 57 ASP N N 15 114.945 0.5 . 1 . . . A 57 ASP N . 18111 1 377 . 1 1 58 58 GLU H H 1 7.747 0.05 . 1 . . . A 58 GLU H . 18111 1 378 . 1 1 58 58 GLU HA H 1 3.958 0.05 . 1 . . . A 58 GLU HA . 18111 1 379 . 1 1 58 58 GLU HB2 H 1 1.958 0.05 . 2 . . . A 58 GLU HB2 . 18111 1 380 . 1 1 58 58 GLU HB3 H 1 1.958 0.05 . 2 . . . A 58 GLU HB3 . 18111 1 381 . 1 1 58 58 GLU HG2 H 1 2.297 0.05 . 2 . . . A 58 GLU HG2 . 18111 1 382 . 1 1 58 58 GLU HG3 H 1 2.297 0.05 . 2 . . . A 58 GLU HG3 . 18111 1 383 . 1 1 58 58 GLU C C 13 177.510 0.5 . 1 . . . A 58 GLU C . 18111 1 384 . 1 1 58 58 GLU CA C 13 58.597 0.5 . 1 . . . A 58 GLU CA . 18111 1 385 . 1 1 58 58 GLU CB C 13 30.259 0.5 . 1 . . . A 58 GLU CB . 18111 1 386 . 1 1 58 58 GLU CG C 13 36.669 0.5 . 1 . . . A 58 GLU CG . 18111 1 387 . 1 1 58 58 GLU N N 15 120.429 0.5 . 1 . . . A 58 GLU N . 18111 1 388 . 1 1 59 59 ALA H H 1 7.890 0.05 . 1 . . . A 59 ALA H . 18111 1 389 . 1 1 59 59 ALA HA H 1 3.625 0.05 . 1 . . . A 59 ALA HA . 18111 1 390 . 1 1 59 59 ALA HB1 H 1 0.513 0.05 . 1 . . . A 59 ALA HB1 . 18111 1 391 . 1 1 59 59 ALA HB2 H 1 0.513 0.05 . 1 . . . A 59 ALA HB2 . 18111 1 392 . 1 1 59 59 ALA HB3 H 1 0.513 0.05 . 1 . . . A 59 ALA HB3 . 18111 1 393 . 1 1 59 59 ALA C C 13 178.839 0.5 . 1 . . . A 59 ALA C . 18111 1 394 . 1 1 59 59 ALA CA C 13 54.994 0.5 . 1 . . . A 59 ALA CA . 18111 1 395 . 1 1 59 59 ALA CB C 13 17.155 0.5 . 1 . . . A 59 ALA CB . 18111 1 396 . 1 1 59 59 ALA N N 15 122.128 0.5 . 1 . . . A 59 ALA N . 18111 1 397 . 1 1 60 60 LEU H H 1 7.738 0.05 . 1 . . . A 60 LEU H . 18111 1 398 . 1 1 60 60 LEU HA H 1 3.948 0.05 . 1 . . . A 60 LEU HA . 18111 1 399 . 1 1 60 60 LEU HB2 H 1 1.278 0.05 . 2 . . . A 60 LEU HB2 . 18111 1 400 . 1 1 60 60 LEU HB3 H 1 1.995 0.05 . 2 . . . A 60 LEU HB3 . 18111 1 401 . 1 1 60 60 LEU HG H 1 1.521 0.05 . 1 . . . A 60 LEU HG . 18111 1 402 . 1 1 60 60 LEU HD11 H 1 0.930 0.05 . 2 . . . A 60 LEU HD11 . 18111 1 403 . 1 1 60 60 LEU HD12 H 1 0.930 0.05 . 2 . . . A 60 LEU HD12 . 18111 1 404 . 1 1 60 60 LEU HD13 H 1 0.930 0.05 . 2 . . . A 60 LEU HD13 . 18111 1 405 . 1 1 60 60 LEU HD21 H 1 0.880 0.05 . 2 . . . A 60 LEU HD21 . 18111 1 406 . 1 1 60 60 LEU HD22 H 1 0.880 0.05 . 2 . . . A 60 LEU HD22 . 18111 1 407 . 1 1 60 60 LEU HD23 H 1 0.880 0.05 . 2 . . . A 60 LEU HD23 . 18111 1 408 . 1 1 60 60 LEU C C 13 177.323 0.5 . 1 . . . A 60 LEU C . 18111 1 409 . 1 1 60 60 LEU CA C 13 58.516 0.5 . 1 . . . A 60 LEU CA . 18111 1 410 . 1 1 60 60 LEU CB C 13 40.825 0.5 . 1 . . . A 60 LEU CB . 18111 1 411 . 1 1 60 60 LEU CG C 13 27.008 0.5 . 1 . . . A 60 LEU CG . 18111 1 412 . 1 1 60 60 LEU CD1 C 13 26.280 0.5 . 1 . . . A 60 LEU CD1 . 18111 1 413 . 1 1 60 60 LEU CD2 C 13 23.458 0.5 . 1 . . . A 60 LEU CD2 . 18111 1 414 . 1 1 60 60 LEU N N 15 116.354 0.5 . 1 . . . A 60 LEU N . 18111 1 415 . 1 1 61 61 GLU H H 1 7.457 0.05 . 1 . . . A 61 GLU H . 18111 1 416 . 1 1 61 61 GLU HA H 1 4.007 0.05 . 1 . . . A 61 GLU HA . 18111 1 417 . 1 1 61 61 GLU HB2 H 1 2.027 0.05 . 2 . . . A 61 GLU HB2 . 18111 1 418 . 1 1 61 61 GLU HB3 H 1 2.027 0.05 . 2 . . . A 61 GLU HB3 . 18111 1 419 . 1 1 61 61 GLU HG2 H 1 2.057 0.05 . 2 . . . A 61 GLU HG2 . 18111 1 420 . 1 1 61 61 GLU HG3 H 1 2.250 0.05 . 2 . . . A 61 GLU HG3 . 18111 1 421 . 1 1 61 61 GLU C C 13 179.326 0.5 . 1 . . . A 61 GLU C . 18111 1 422 . 1 1 61 61 GLU CA C 13 59.908 0.5 . 1 . . . A 61 GLU CA . 18111 1 423 . 1 1 61 61 GLU CB C 13 29.604 0.5 . 1 . . . A 61 GLU CB . 18111 1 424 . 1 1 61 61 GLU CG C 13 36.111 0.5 . 1 . . . A 61 GLU CG . 18111 1 425 . 1 1 61 61 GLU N N 15 118.267 0.5 . 1 . . . A 61 GLU N . 18111 1 426 . 1 1 62 62 LEU H H 1 8.627 0.05 . 1 . . . A 62 LEU H . 18111 1 427 . 1 1 62 62 LEU HA H 1 4.191 0.05 . 1 . . . A 62 LEU HA . 18111 1 428 . 1 1 62 62 LEU HB2 H 1 1.884 0.05 . 2 . . . A 62 LEU HB2 . 18111 1 429 . 1 1 62 62 LEU HB3 H 1 1.884 0.05 . 2 . . . A 62 LEU HB3 . 18111 1 430 . 1 1 62 62 LEU HG H 1 1.834 0.05 . 1 . . . A 62 LEU HG . 18111 1 431 . 1 1 62 62 LEU HD11 H 1 0.994 0.05 . 2 . . . A 62 LEU HD11 . 18111 1 432 . 1 1 62 62 LEU HD12 H 1 0.994 0.05 . 2 . . . A 62 LEU HD12 . 18111 1 433 . 1 1 62 62 LEU HD13 H 1 0.994 0.05 . 2 . . . A 62 LEU HD13 . 18111 1 434 . 1 1 62 62 LEU HD21 H 1 0.959 0.05 . 2 . . . A 62 LEU HD21 . 18111 1 435 . 1 1 62 62 LEU HD22 H 1 0.959 0.05 . 2 . . . A 62 LEU HD22 . 18111 1 436 . 1 1 62 62 LEU HD23 H 1 0.959 0.05 . 2 . . . A 62 LEU HD23 . 18111 1 437 . 1 1 62 62 LEU C C 13 180.018 0.5 . 1 . . . A 62 LEU C . 18111 1 438 . 1 1 62 62 LEU CA C 13 58.024 0.5 . 1 . . . A 62 LEU CA . 18111 1 439 . 1 1 62 62 LEU CB C 13 42.217 0.5 . 1 . . . A 62 LEU CB . 18111 1 440 . 1 1 62 62 LEU CG C 13 26.917 0.5 . 1 . . . A 62 LEU CG . 18111 1 441 . 1 1 62 62 LEU CD1 C 13 25.552 0.5 . 1 . . . A 62 LEU CD1 . 18111 1 442 . 1 1 62 62 LEU CD2 C 13 23.458 0.5 . 1 . . . A 62 LEU CD2 . 18111 1 443 . 1 1 62 62 LEU N N 15 119.807 0.5 . 1 . . . A 62 LEU N . 18111 1 444 . 1 1 63 63 ALA H H 1 8.500 0.05 . 1 . . . A 63 ALA H . 18111 1 445 . 1 1 63 63 ALA HA H 1 4.224 0.05 . 1 . . . A 63 ALA HA . 18111 1 446 . 1 1 63 63 ALA HB1 H 1 1.479 0.05 . 1 . . . A 63 ALA HB1 . 18111 1 447 . 1 1 63 63 ALA HB2 H 1 1.479 0.05 . 1 . . . A 63 ALA HB2 . 18111 1 448 . 1 1 63 63 ALA HB3 H 1 1.479 0.05 . 1 . . . A 63 ALA HB3 . 18111 1 449 . 1 1 63 63 ALA C C 13 179.850 0.5 . 1 . . . A 63 ALA C . 18111 1 450 . 1 1 63 63 ALA CA C 13 55.731 0.5 . 1 . . . A 63 ALA CA . 18111 1 451 . 1 1 63 63 ALA CB C 13 18.220 0.5 . 1 . . . A 63 ALA CB . 18111 1 452 . 1 1 63 63 ALA N N 15 121.616 0.5 . 1 . . . A 63 ALA N . 18111 1 453 . 1 1 64 64 GLU H H 1 8.777 0.05 . 1 . . . A 64 GLU H . 18111 1 454 . 1 1 64 64 GLU HA H 1 4.094 0.05 . 1 . . . A 64 GLU HA . 18111 1 455 . 1 1 64 64 GLU HB2 H 1 2.303 0.05 . 2 . . . A 64 GLU HB2 . 18111 1 456 . 1 1 64 64 GLU HB3 H 1 2.303 0.05 . 2 . . . A 64 GLU HB3 . 18111 1 457 . 1 1 64 64 GLU HG2 H 1 2.062 0.05 . 2 . . . A 64 GLU HG2 . 18111 1 458 . 1 1 64 64 GLU HG3 H 1 2.098 0.05 . 2 . . . A 64 GLU HG3 . 18111 1 459 . 1 1 64 64 GLU C C 13 179.195 0.5 . 1 . . . A 64 GLU C . 18111 1 460 . 1 1 64 64 GLU CA C 13 60.891 0.5 . 1 . . . A 64 GLU CA . 18111 1 461 . 1 1 64 64 GLU CB C 13 29.604 0.5 . 1 . . . A 64 GLU CB . 18111 1 462 . 1 1 64 64 GLU CG C 13 38.296 0.5 . 1 . . . A 64 GLU CG . 18111 1 463 . 1 1 64 64 GLU N N 15 117.206 0.5 . 1 . . . A 64 GLU N . 18111 1 464 . 1 1 65 65 TRP H H 1 8.573 0.05 . 1 . . . A 65 TRP H . 18111 1 465 . 1 1 65 65 TRP HA H 1 4.352 0.05 . 1 . . . A 65 TRP HA . 18111 1 466 . 1 1 65 65 TRP HB2 H 1 3.515 0.05 . 2 . . . A 65 TRP HB2 . 18111 1 467 . 1 1 65 65 TRP HB3 H 1 3.515 0.05 . 2 . . . A 65 TRP HB3 . 18111 1 468 . 1 1 65 65 TRP HD1 H 1 7.280 0.05 . 1 . . . A 65 TRP HD1 . 18111 1 469 . 1 1 65 65 TRP HE1 H 1 10.064 0.05 . 1 . . . A 65 TRP HE1 . 18111 1 470 . 1 1 65 65 TRP HE3 H 1 7.677 0.05 . 1 . . . A 65 TRP HE3 . 18111 1 471 . 1 1 65 65 TRP HZ2 H 1 7.437 0.05 . 1 . . . A 65 TRP HZ2 . 18111 1 472 . 1 1 65 65 TRP HZ3 H 1 7.137 0.05 . 1 . . . A 65 TRP HZ3 . 18111 1 473 . 1 1 65 65 TRP C C 13 177.341 0.5 . 1 . . . A 65 TRP C . 18111 1 474 . 1 1 65 65 TRP CA C 13 60.072 0.5 . 1 . . . A 65 TRP CA . 18111 1 475 . 1 1 65 65 TRP CB C 13 28.949 0.5 . 1 . . . A 65 TRP CB . 18111 1 476 . 1 1 65 65 TRP CD1 C 13 126.290 0.5 . 1 . . . A 65 TRP CD1 . 18111 1 477 . 1 1 65 65 TRP CE3 C 13 120.820 0.5 . 1 . . . A 65 TRP CE3 . 18111 1 478 . 1 1 65 65 TRP CZ3 C 13 121.916 0.5 . 1 . . . A 65 TRP CZ3 . 18111 1 479 . 1 1 65 65 TRP N N 15 119.866 0.5 . 1 . . . A 65 TRP N . 18111 1 480 . 1 1 65 65 TRP NE1 N 15 128.822 0.5 . 1 . . . A 65 TRP NE1 . 18111 1 481 . 1 1 66 66 GLN H H 1 7.726 0.05 . 1 . . . A 66 GLN H . 18111 1 482 . 1 1 66 66 GLN HA H 1 3.820 0.05 . 1 . . . A 66 GLN HA . 18111 1 483 . 1 1 66 66 GLN HB2 H 1 1.556 0.05 . 2 . . . A 66 GLN HB2 . 18111 1 484 . 1 1 66 66 GLN HB3 H 1 2.051 0.05 . 2 . . . A 66 GLN HB3 . 18111 1 485 . 1 1 66 66 GLN HG2 H 1 1.613 0.05 . 2 . . . A 66 GLN HG2 . 18111 1 486 . 1 1 66 66 GLN HG3 H 1 2.080 0.05 . 2 . . . A 66 GLN HG3 . 18111 1 487 . 1 1 66 66 GLN C C 13 177.997 0.5 . 1 . . . A 66 GLN C . 18111 1 488 . 1 1 66 66 GLN CA C 13 58.106 0.5 . 1 . . . A 66 GLN CA . 18111 1 489 . 1 1 66 66 GLN CB C 13 29.850 0.5 . 1 . . . A 66 GLN CB . 18111 1 490 . 1 1 66 66 GLN CG C 13 33.653 0.5 . 1 . . . A 66 GLN CG . 18111 1 491 . 1 1 66 66 GLN N N 15 113.161 0.5 . 1 . . . A 66 GLN N . 18111 1 492 . 1 1 67 67 TYR H H 1 8.303 0.05 . 1 . . . A 67 TYR H . 18111 1 493 . 1 1 67 67 TYR HA H 1 4.597 0.05 . 1 . . . A 67 TYR HA . 18111 1 494 . 1 1 67 67 TYR HB2 H 1 2.718 0.05 . 2 . . . A 67 TYR HB2 . 18111 1 495 . 1 1 67 67 TYR HB3 H 1 2.718 0.05 . 2 . . . A 67 TYR HB3 . 18111 1 496 . 1 1 67 67 TYR HD1 H 1 7.176 0.05 . 3 . . . A 67 TYR HD1 . 18111 1 497 . 1 1 67 67 TYR HD2 H 1 7.176 0.05 . 3 . . . A 67 TYR HD2 . 18111 1 498 . 1 1 67 67 TYR HE1 H 1 6.661 0.05 . 3 . . . A 67 TYR HE1 . 18111 1 499 . 1 1 67 67 TYR HE2 H 1 6.661 0.05 . 3 . . . A 67 TYR HE2 . 18111 1 500 . 1 1 67 67 TYR C C 13 177.547 0.5 . 1 . . . A 67 TYR C . 18111 1 501 . 1 1 67 67 TYR CA C 13 61.850 0.5 . 1 . . . A 67 TYR CA . 18111 1 502 . 1 1 67 67 TYR CB C 13 38.750 0.5 . 1 . . . A 67 TYR CB . 18111 1 503 . 1 1 67 67 TYR CD1 C 13 132.854 0.5 . 3 . . . A 67 TYR CD1 . 18111 1 504 . 1 1 67 67 TYR CD2 C 13 132.854 0.5 . 3 . . . A 67 TYR CD2 . 18111 1 505 . 1 1 67 67 TYR CE1 C 13 118.088 0.5 . 3 . . . A 67 TYR CE1 . 18111 1 506 . 1 1 67 67 TYR CE2 C 13 118.088 0.5 . 3 . . . A 67 TYR CE2 . 18111 1 507 . 1 1 67 67 TYR N N 15 113.766 0.5 . 1 . . . A 67 TYR N . 18111 1 508 . 1 1 68 68 VAL H H 1 8.669 0.05 . 1 . . . A 68 VAL H . 18111 1 509 . 1 1 68 68 VAL HA H 1 4.900 0.05 . 1 . . . A 68 VAL HA . 18111 1 510 . 1 1 68 68 VAL HB H 1 2.637 0.05 . 1 . . . A 68 VAL HB . 18111 1 511 . 1 1 68 68 VAL HG11 H 1 1.322 0.05 . 2 . . . A 68 VAL HG11 . 18111 1 512 . 1 1 68 68 VAL HG12 H 1 1.322 0.05 . 2 . . . A 68 VAL HG12 . 18111 1 513 . 1 1 68 68 VAL HG13 H 1 1.322 0.05 . 2 . . . A 68 VAL HG13 . 18111 1 514 . 1 1 68 68 VAL HG21 H 1 1.062 0.05 . 2 . . . A 68 VAL HG21 . 18111 1 515 . 1 1 68 68 VAL HG22 H 1 1.062 0.05 . 2 . . . A 68 VAL HG22 . 18111 1 516 . 1 1 68 68 VAL HG23 H 1 1.062 0.05 . 2 . . . A 68 VAL HG23 . 18111 1 517 . 1 1 68 68 VAL CA C 13 67.607 0.5 . 1 . . . A 68 VAL CA . 18111 1 518 . 1 1 68 68 VAL CB C 13 28.742 0.5 . 1 . . . A 68 VAL CB . 18111 1 519 . 1 1 68 68 VAL CG1 C 13 23.640 0.5 . 1 . . . A 68 VAL CG1 . 18111 1 520 . 1 1 68 68 VAL CG2 C 13 20.910 0.5 . 1 . . . A 68 VAL CG2 . 18111 1 521 . 1 1 68 68 VAL N N 15 123.300 0.5 . 1 . . . A 68 VAL N . 18111 1 522 . 1 1 69 69 PRO HA H 1 4.451 0.05 . 1 . . . A 69 PRO HA . 18111 1 523 . 1 1 69 69 PRO HB2 H 1 2.322 0.05 . 2 . . . A 69 PRO HB2 . 18111 1 524 . 1 1 69 69 PRO HB3 H 1 2.322 0.05 . 2 . . . A 69 PRO HB3 . 18111 1 525 . 1 1 69 69 PRO HG2 H 1 1.862 0.05 . 2 . . . A 69 PRO HG2 . 18111 1 526 . 1 1 69 69 PRO HG3 H 1 1.862 0.05 . 2 . . . A 69 PRO HG3 . 18111 1 527 . 1 1 69 69 PRO HD2 H 1 3.268 0.05 . 2 . . . A 69 PRO HD2 . 18111 1 528 . 1 1 69 69 PRO HD3 H 1 3.268 0.05 . 2 . . . A 69 PRO HD3 . 18111 1 529 . 1 1 69 69 PRO C C 13 176.742 0.5 . 1 . . . A 69 PRO C . 18111 1 530 . 1 1 69 69 PRO CA C 13 65.395 0.5 . 1 . . . A 69 PRO CA . 18111 1 531 . 1 1 69 69 PRO CB C 13 30.833 0.5 . 1 . . . A 69 PRO CB . 18111 1 532 . 1 1 69 69 PRO CG C 13 28.283 0.5 . 1 . . . A 69 PRO CG . 18111 1 533 . 1 1 69 69 PRO CD C 13 51.312 0.5 . 1 . . . A 69 PRO CD . 18111 1 534 . 1 1 70 70 ALA H H 1 6.837 0.05 . 1 . . . A 70 ALA H . 18111 1 535 . 1 1 70 70 ALA HA H 1 4.520 0.05 . 1 . . . A 70 ALA HA . 18111 1 536 . 1 1 70 70 ALA HB1 H 1 1.731 0.05 . 1 . . . A 70 ALA HB1 . 18111 1 537 . 1 1 70 70 ALA HB2 H 1 1.731 0.05 . 1 . . . A 70 ALA HB2 . 18111 1 538 . 1 1 70 70 ALA HB3 H 1 1.731 0.05 . 1 . . . A 70 ALA HB3 . 18111 1 539 . 1 1 70 70 ALA C C 13 176.780 0.5 . 1 . . . A 70 ALA C . 18111 1 540 . 1 1 70 70 ALA CA C 13 51.800 0.5 . 1 . . . A 70 ALA CA . 18111 1 541 . 1 1 70 70 ALA CB C 13 18.875 0.5 . 1 . . . A 70 ALA CB . 18111 1 542 . 1 1 70 70 ALA N N 15 116.256 0.5 . 1 . . . A 70 ALA N . 18111 1 543 . 1 1 71 71 GLY H H 1 8.312 0.05 . 1 . . . A 71 GLY H . 18111 1 544 . 1 1 71 71 GLY HA2 H 1 3.781 0.05 . 2 . . . A 71 GLY HA2 . 18111 1 545 . 1 1 71 71 GLY HA3 H 1 4.175 0.05 . 2 . . . A 71 GLY HA3 . 18111 1 546 . 1 1 71 71 GLY C C 13 173.785 0.5 . 1 . . . A 71 GLY C . 18111 1 547 . 1 1 71 71 GLY CA C 13 45.493 0.5 . 1 . . . A 71 GLY CA . 18111 1 548 . 1 1 71 71 GLY N N 15 105.885 0.5 . 1 . . . A 71 GLY N . 18111 1 549 . 1 1 72 72 PHE H H 1 7.609 0.05 . 1 . . . A 72 PHE H . 18111 1 550 . 1 1 72 72 PHE HA H 1 4.924 0.05 . 1 . . . A 72 PHE HA . 18111 1 551 . 1 1 72 72 PHE HB2 H 1 3.030 0.05 . 2 . . . A 72 PHE HB2 . 18111 1 552 . 1 1 72 72 PHE HB3 H 1 3.030 0.05 . 2 . . . A 72 PHE HB3 . 18111 1 553 . 1 1 72 72 PHE HD1 H 1 7.322 0.05 . 3 . . . A 72 PHE HD1 . 18111 1 554 . 1 1 72 72 PHE HD2 H 1 7.322 0.05 . 3 . . . A 72 PHE HD2 . 18111 1 555 . 1 1 72 72 PHE HE1 H 1 6.867 0.05 . 3 . . . A 72 PHE HE1 . 18111 1 556 . 1 1 72 72 PHE HE2 H 1 6.867 0.05 . 3 . . . A 72 PHE HE2 . 18111 1 557 . 1 1 72 72 PHE HZ H 1 6.673 0.05 . 1 . . . A 72 PHE HZ . 18111 1 558 . 1 1 72 72 PHE CA C 13 56.990 0.5 . 1 . . . A 72 PHE CA . 18111 1 559 . 1 1 72 72 PHE CB C 13 42.000 0.5 . 1 . . . A 72 PHE CB . 18111 1 560 . 1 1 72 72 PHE CD1 C 13 132.307 0.5 . 3 . . . A 72 PHE CD1 . 18111 1 561 . 1 1 72 72 PHE CD2 C 13 132.307 0.5 . 3 . . . A 72 PHE CD2 . 18111 1 562 . 1 1 72 72 PHE CE1 C 13 132.307 0.5 . 3 . . . A 72 PHE CE1 . 18111 1 563 . 1 1 72 72 PHE CE2 C 13 132.307 0.5 . 3 . . . A 72 PHE CE2 . 18111 1 564 . 1 1 72 72 PHE CZ C 13 129.570 0.5 . 1 . . . A 72 PHE CZ . 18111 1 565 . 1 1 72 72 PHE N N 15 118.275 0.5 . 1 . . . A 72 PHE N . 18111 1 566 . 1 1 73 73 GLU H H 1 8.900 0.05 . 1 . . . A 73 GLU H . 18111 1 567 . 1 1 73 73 GLU HA H 1 4.697 0.05 . 1 . . . A 73 GLU HA . 18111 1 568 . 1 1 73 73 GLU HB2 H 1 1.987 0.05 . 2 . . . A 73 GLU HB2 . 18111 1 569 . 1 1 73 73 GLU HB3 H 1 1.987 0.05 . 2 . . . A 73 GLU HB3 . 18111 1 570 . 1 1 73 73 GLU HG2 H 1 2.373 0.05 . 2 . . . A 73 GLU HG2 . 18111 1 571 . 1 1 73 73 GLU HG3 H 1 2.213 0.05 . 2 . . . A 73 GLU HG3 . 18111 1 572 . 1 1 73 73 GLU CA C 13 54.940 0.5 . 1 . . . A 73 GLU CA . 18111 1 573 . 1 1 73 73 GLU CB C 13 32.780 0.5 . 1 . . . A 73 GLU CB . 18111 1 574 . 1 1 73 73 GLU CG C 13 36.450 0.5 . 1 . . . A 73 GLU CG . 18111 1 575 . 1 1 73 73 GLU N N 15 118.920 0.5 . 1 . . . A 73 GLU N . 18111 1 576 . 1 1 74 74 VAL H H 1 9.116 0.05 . 1 . . . A 74 VAL H . 18111 1 577 . 1 1 74 74 VAL HA H 1 4.746 0.05 . 1 . . . A 74 VAL HA . 18111 1 578 . 1 1 74 74 VAL HB H 1 2.135 0.05 . 1 . . . A 74 VAL HB . 18111 1 579 . 1 1 74 74 VAL HG11 H 1 0.874 0.05 . 2 . . . A 74 VAL HG11 . 18111 1 580 . 1 1 74 74 VAL HG12 H 1 0.874 0.05 . 2 . . . A 74 VAL HG12 . 18111 1 581 . 1 1 74 74 VAL HG13 H 1 0.874 0.05 . 2 . . . A 74 VAL HG13 . 18111 1 582 . 1 1 74 74 VAL HG21 H 1 0.795 0.05 . 2 . . . A 74 VAL HG21 . 18111 1 583 . 1 1 74 74 VAL HG22 H 1 0.795 0.05 . 2 . . . A 74 VAL HG22 . 18111 1 584 . 1 1 74 74 VAL HG23 H 1 0.795 0.05 . 2 . . . A 74 VAL HG23 . 18111 1 585 . 1 1 74 74 VAL C C 13 176.780 0.5 . 1 . . . A 74 VAL C . 18111 1 586 . 1 1 74 74 VAL CA C 13 61.300 0.5 . 1 . . . A 74 VAL CA . 18111 1 587 . 1 1 74 74 VAL CB C 13 31.078 0.5 . 1 . . . A 74 VAL CB . 18111 1 588 . 1 1 74 74 VAL CG1 C 13 21.586 0.5 . 1 . . . A 74 VAL CG1 . 18111 1 589 . 1 1 74 74 VAL CG2 C 13 21.586 0.5 . 1 . . . A 74 VAL CG2 . 18111 1 590 . 1 1 74 74 VAL N N 15 125.320 0.5 . 1 . . . A 74 VAL N . 18111 1 591 . 1 1 75 75 THR H H 1 8.779 0.05 . 1 . . . A 75 THR H . 18111 1 592 . 1 1 75 75 THR HA H 1 4.326 0.05 . 1 . . . A 75 THR HA . 18111 1 593 . 1 1 75 75 THR HB H 1 4.191 0.05 . 1 . . . A 75 THR HB . 18111 1 594 . 1 1 75 75 THR C C 13 173.766 0.5 . 1 . . . A 75 THR C . 18111 1 595 . 1 1 75 75 THR CA C 13 62.119 0.5 . 1 . . . A 75 THR CA . 18111 1 596 . 1 1 75 75 THR CB C 13 69.076 0.5 . 1 . . . A 75 THR CB . 18111 1 597 . 1 1 75 75 THR CG2 C 13 21.393 0.5 . 1 . . . A 75 THR CG2 . 18111 1 598 . 1 1 75 75 THR N N 15 118.539 0.5 . 1 . . . A 75 THR N . 18111 1 599 . 1 1 76 76 ARG H H 1 7.290 0.05 . 1 . . . A 76 ARG H . 18111 1 600 . 1 1 76 76 ARG HA H 1 4.973 0.05 . 1 . . . A 76 ARG HA . 18111 1 601 . 1 1 76 76 ARG HB2 H 1 1.836 0.05 . 2 . . . A 76 ARG HB2 . 18111 1 602 . 1 1 76 76 ARG HB3 H 1 1.721 0.05 . 2 . . . A 76 ARG HB3 . 18111 1 603 . 1 1 76 76 ARG HG2 H 1 1.702 0.05 . 2 . . . A 76 ARG HG2 . 18111 1 604 . 1 1 76 76 ARG HG3 H 1 1.702 0.05 . 2 . . . A 76 ARG HG3 . 18111 1 605 . 1 1 76 76 ARG HD2 H 1 3.015 0.05 . 2 . . . A 76 ARG HD2 . 18111 1 606 . 1 1 76 76 ARG HD3 H 1 3.015 0.05 . 2 . . . A 76 ARG HD3 . 18111 1 607 . 1 1 76 76 ARG C C 13 175.338 0.5 . 1 . . . A 76 ARG C . 18111 1 608 . 1 1 76 76 ARG CA C 13 56.140 0.5 . 1 . . . A 76 ARG CA . 18111 1 609 . 1 1 76 76 ARG CB C 13 33.495 0.5 . 1 . . . A 76 ARG CB . 18111 1 610 . 1 1 76 76 ARG CG C 13 29.284 0.5 . 1 . . . A 76 ARG CG . 18111 1 611 . 1 1 76 76 ARG CD C 13 42.086 0.5 . 1 . . . A 76 ARG CD . 18111 1 612 . 1 1 76 76 ARG N N 15 119.963 0.5 . 1 . . . A 76 ARG N . 18111 1 613 . 1 1 77 77 VAL H H 1 8.467 0.05 . 1 . . . A 77 VAL H . 18111 1 614 . 1 1 77 77 VAL HA H 1 5.062 0.05 . 1 . . . A 77 VAL HA . 18111 1 615 . 1 1 77 77 VAL HB H 1 1.781 0.05 . 1 . . . A 77 VAL HB . 18111 1 616 . 1 1 77 77 VAL HG11 H 1 0.815 0.05 . 2 . . . A 77 VAL HG11 . 18111 1 617 . 1 1 77 77 VAL HG12 H 1 0.815 0.05 . 2 . . . A 77 VAL HG12 . 18111 1 618 . 1 1 77 77 VAL HG13 H 1 0.815 0.05 . 2 . . . A 77 VAL HG13 . 18111 1 619 . 1 1 77 77 VAL HG21 H 1 0.736 0.05 . 2 . . . A 77 VAL HG21 . 18111 1 620 . 1 1 77 77 VAL HG22 H 1 0.736 0.05 . 2 . . . A 77 VAL HG22 . 18111 1 621 . 1 1 77 77 VAL HG23 H 1 0.736 0.05 . 2 . . . A 77 VAL HG23 . 18111 1 622 . 1 1 77 77 VAL C C 13 173.242 0.5 . 1 . . . A 77 VAL C . 18111 1 623 . 1 1 77 77 VAL CA C 13 62.201 0.5 . 1 . . . A 77 VAL CA . 18111 1 624 . 1 1 77 77 VAL CB C 13 34.933 0.5 . 1 . . . A 77 VAL CB . 18111 1 625 . 1 1 77 77 VAL CG1 C 13 22.275 0.5 . 1 . . . A 77 VAL CG1 . 18111 1 626 . 1 1 77 77 VAL CG2 C 13 22.275 0.5 . 1 . . . A 77 VAL CG2 . 18111 1 627 . 1 1 77 77 VAL N N 15 123.743 0.5 . 1 . . . A 77 VAL N . 18111 1 628 . 1 1 78 78 ARG H H 1 9.165 0.05 . 1 . . . A 78 ARG H . 18111 1 629 . 1 1 78 78 ARG CA C 13 52.209 0.5 . 1 . . . A 78 ARG CA . 18111 1 630 . 1 1 78 78 ARG CB C 13 31.660 0.5 . 1 . . . A 78 ARG CB . 18111 1 631 . 1 1 78 78 ARG N N 15 124.426 0.5 . 1 . . . A 78 ARG N . 18111 1 632 . 1 1 79 79 PRO HA H 1 4.372 0.05 . 1 . . . A 79 PRO HA . 18111 1 633 . 1 1 79 79 PRO HB2 H 1 1.781 0.05 . 2 . . . A 79 PRO HB2 . 18111 1 634 . 1 1 79 79 PRO HB3 H 1 2.076 0.05 . 2 . . . A 79 PRO HB3 . 18111 1 635 . 1 1 79 79 PRO HG2 H 1 2.053 0.05 . 2 . . . A 79 PRO HG2 . 18111 1 636 . 1 1 79 79 PRO HG3 H 1 2.053 0.05 . 2 . . . A 79 PRO HG3 . 18111 1 637 . 1 1 79 79 PRO HD2 H 1 3.697 0.05 . 2 . . . A 79 PRO HD2 . 18111 1 638 . 1 1 79 79 PRO HD3 H 1 3.869 0.05 . 2 . . . A 79 PRO HD3 . 18111 1 639 . 1 1 79 79 PRO C C 13 175.357 0.5 . 1 . . . A 79 PRO C . 18111 1 640 . 1 1 79 79 PRO CA C 13 63.020 0.5 . 1 . . . A 79 PRO CA . 18111 1 641 . 1 1 79 79 PRO CB C 13 31.897 0.5 . 1 . . . A 79 PRO CB . 18111 1 642 . 1 1 79 79 PRO CG C 13 27.164 0.5 . 1 . . . A 79 PRO CG . 18111 1 643 . 1 1 79 79 PRO CD C 13 51.019 0.5 . 1 . . . A 79 PRO CD . 18111 1 644 . 1 1 80 80 CYS H H 1 7.830 0.05 . 1 . . . A 80 CYS H . 18111 1 645 . 1 1 80 80 CYS HA H 1 4.548 0.05 . 1 . . . A 80 CYS HA . 18111 1 646 . 1 1 80 80 CYS C C 13 174.852 0.5 . 1 . . . A 80 CYS C . 18111 1 647 . 1 1 80 80 CYS CA C 13 59.171 0.5 . 1 . . . A 80 CYS CA . 18111 1 648 . 1 1 80 80 CYS CB C 13 26.328 0.5 . 1 . . . A 80 CYS CB . 18111 1 649 . 1 1 80 80 CYS N N 15 120.695 0.5 . 1 . . . A 80 CYS N . 18111 1 650 . 1 1 81 81 VAL H H 1 8.583 0.05 . 1 . . . A 81 VAL H . 18111 1 651 . 1 1 81 81 VAL HA H 1 4.382 0.05 . 1 . . . A 81 VAL HA . 18111 1 652 . 1 1 81 81 VAL HB H 1 2.234 0.05 . 1 . . . A 81 VAL HB . 18111 1 653 . 1 1 81 81 VAL HG11 H 1 1.209 0.05 . 2 . . . A 81 VAL HG11 . 18111 1 654 . 1 1 81 81 VAL HG12 H 1 1.209 0.05 . 2 . . . A 81 VAL HG12 . 18111 1 655 . 1 1 81 81 VAL HG13 H 1 1.209 0.05 . 2 . . . A 81 VAL HG13 . 18111 1 656 . 1 1 81 81 VAL HG21 H 1 1.012 0.05 . 2 . . . A 81 VAL HG21 . 18111 1 657 . 1 1 81 81 VAL HG22 H 1 1.012 0.05 . 2 . . . A 81 VAL HG22 . 18111 1 658 . 1 1 81 81 VAL HG23 H 1 1.012 0.05 . 2 . . . A 81 VAL HG23 . 18111 1 659 . 1 1 81 81 VAL C C 13 175.263 0.5 . 1 . . . A 81 VAL C . 18111 1 660 . 1 1 81 81 VAL CA C 13 61.874 0.5 . 1 . . . A 81 VAL CA . 18111 1 661 . 1 1 81 81 VAL CB C 13 32.716 0.5 . 1 . . . A 81 VAL CB . 18111 1 662 . 1 1 81 81 VAL CG1 C 13 21.571 0.5 . 1 . . . A 81 VAL CG1 . 18111 1 663 . 1 1 81 81 VAL CG2 C 13 20.168 0.5 . 1 . . . A 81 VAL CG2 . 18111 1 664 . 1 1 81 81 VAL N N 15 126.766 0.5 . 1 . . . A 81 VAL N . 18111 1 665 . 1 1 82 82 ALA H H 1 8.541 0.05 . 1 . . . A 82 ALA H . 18111 1 666 . 1 1 82 82 ALA CA C 13 50.489 0.5 . 1 . . . A 82 ALA CA . 18111 1 667 . 1 1 82 82 ALA N N 15 129.754 0.5 . 1 . . . A 82 ALA N . 18111 1 668 . 2 2 24 24 PRO HA H 1 4.426 0.05 . 1 . . . B 24 PRO HA . 18111 1 669 . 2 2 24 24 PRO HB2 H 1 1.917 0.05 . 2 . . . B 24 PRO HB2 . 18111 1 670 . 2 2 24 24 PRO HB3 H 1 2.247 0.05 . 2 . . . B 24 PRO HB3 . 18111 1 671 . 2 2 24 24 PRO HG2 H 1 1.923 0.05 . 2 . . . B 24 PRO HG2 . 18111 1 672 . 2 2 24 24 PRO HG3 H 1 2.048 0.05 . 2 . . . B 24 PRO HG3 . 18111 1 673 . 2 2 24 24 PRO HD2 H 1 3.728 0.05 . 2 . . . B 24 PRO HD2 . 18111 1 674 . 2 2 24 24 PRO HD3 H 1 3.876 0.05 . 2 . . . B 24 PRO HD3 . 18111 1 675 . 2 2 24 24 PRO C C 13 176.996 0.5 . 1 . . . B 24 PRO C . 18111 1 676 . 2 2 24 24 PRO CA C 13 62.777 0.5 . 1 . . . B 24 PRO CA . 18111 1 677 . 2 2 24 24 PRO CB C 13 31.964 0.5 . 1 . . . B 24 PRO CB . 18111 1 678 . 2 2 24 24 PRO CG C 13 27.149 0.5 . 1 . . . B 24 PRO CG . 18111 1 679 . 2 2 24 24 PRO CD C 13 50.838 0.5 . 1 . . . B 24 PRO CD . 18111 1 680 . 2 2 25 25 ALA H H 1 8.320 0.05 . 1 . . . B 25 ALA H . 18111 1 681 . 2 2 25 25 ALA HA H 1 4.285 0.05 . 1 . . . B 25 ALA HA . 18111 1 682 . 2 2 25 25 ALA HB1 H 1 1.342 0.05 . 1 . . . B 25 ALA HB1 . 18111 1 683 . 2 2 25 25 ALA HB2 H 1 1.342 0.05 . 1 . . . B 25 ALA HB2 . 18111 1 684 . 2 2 25 25 ALA HB3 H 1 1.342 0.05 . 1 . . . B 25 ALA HB3 . 18111 1 685 . 2 2 25 25 ALA C C 13 177.587 0.5 . 1 . . . B 25 ALA C . 18111 1 686 . 2 2 25 25 ALA CA C 13 52.703 0.5 . 1 . . . B 25 ALA CA . 18111 1 687 . 2 2 25 25 ALA CB C 13 19.023 0.5 . 1 . . . B 25 ALA CB . 18111 1 688 . 2 2 25 25 ALA N N 15 123.993 0.5 . 1 . . . B 25 ALA N . 18111 1 689 . 2 2 26 26 ILE H H 1 8.598 0.05 . 1 . . . B 26 ILE H . 18111 1 690 . 2 2 26 26 ILE HA H 1 4.115 0.05 . 1 . . . B 26 ILE HA . 18111 1 691 . 2 2 26 26 ILE HB H 1 1.543 0.05 . 1 . . . B 26 ILE HB . 18111 1 692 . 2 2 26 26 ILE HG12 H 1 0.978 0.05 . 1 . . . B 26 ILE HG12 . 18111 1 693 . 2 2 26 26 ILE HG13 H 1 1.621 0.05 . 1 . . . B 26 ILE HG13 . 18111 1 694 . 2 2 26 26 ILE HG21 H 1 0.774 0.05 . 1 . . . B 26 ILE HG21 . 18111 1 695 . 2 2 26 26 ILE HG22 H 1 0.774 0.05 . 1 . . . B 26 ILE HG22 . 18111 1 696 . 2 2 26 26 ILE HG23 H 1 0.774 0.05 . 1 . . . B 26 ILE HG23 . 18111 1 697 . 2 2 26 26 ILE HD11 H 1 0.760 0.05 . 1 . . . B 26 ILE HD11 . 18111 1 698 . 2 2 26 26 ILE HD12 H 1 0.760 0.05 . 1 . . . B 26 ILE HD12 . 18111 1 699 . 2 2 26 26 ILE HD13 H 1 0.760 0.05 . 1 . . . B 26 ILE HD13 . 18111 1 700 . 2 2 26 26 ILE C C 13 174.652 0.5 . 1 . . . B 26 ILE C . 18111 1 701 . 2 2 26 26 ILE CA C 13 61.303 0.5 . 1 . . . B 26 ILE CA . 18111 1 702 . 2 2 26 26 ILE CB C 13 39.417 0.5 . 1 . . . B 26 ILE CB . 18111 1 703 . 2 2 26 26 ILE CG1 C 13 27.149 0.5 . 1 . . . B 26 ILE CG1 . 18111 1 704 . 2 2 26 26 ILE CG2 C 13 16.455 0.5 . 1 . . . B 26 ILE CG2 . 18111 1 705 . 2 2 26 26 ILE CD1 C 13 12.433 0.5 . 1 . . . B 26 ILE CD1 . 18111 1 706 . 2 2 26 26 ILE N N 15 120.799 0.5 . 1 . . . B 26 ILE N . 18111 1 707 . 2 2 27 27 LEU H H 1 8.701 0.05 . 1 . . . B 27 LEU H . 18111 1 708 . 2 2 27 27 LEU HA H 1 5.058 0.05 . 1 . . . B 27 LEU HA . 18111 1 709 . 2 2 27 27 LEU HB2 H 1 1.059 0.05 . 2 . . . B 27 LEU HB2 . 18111 1 710 . 2 2 27 27 LEU HB3 H 1 1.615 0.05 . 2 . . . B 27 LEU HB3 . 18111 1 711 . 2 2 27 27 LEU HG H 1 1.555 0.05 . 1 . . . B 27 LEU HG . 18111 1 712 . 2 2 27 27 LEU HD11 H 1 0.828 0.05 . 2 . . . B 27 LEU HD11 . 18111 1 713 . 2 2 27 27 LEU HD12 H 1 0.828 0.05 . 2 . . . B 27 LEU HD12 . 18111 1 714 . 2 2 27 27 LEU HD13 H 1 0.828 0.05 . 2 . . . B 27 LEU HD13 . 18111 1 715 . 2 2 27 27 LEU HD21 H 1 0.705 0.05 . 2 . . . B 27 LEU HD21 . 18111 1 716 . 2 2 27 27 LEU HD22 H 1 0.705 0.05 . 2 . . . B 27 LEU HD22 . 18111 1 717 . 2 2 27 27 LEU HD23 H 1 0.705 0.05 . 2 . . . B 27 LEU HD23 . 18111 1 718 . 2 2 27 27 LEU C C 13 177.649 0.5 . 1 . . . B 27 LEU C . 18111 1 719 . 2 2 27 27 LEU CA C 13 52.539 0.5 . 1 . . . B 27 LEU CA . 18111 1 720 . 2 2 27 27 LEU CB C 13 43.202 0.5 . 1 . . . B 27 LEU CB . 18111 1 721 . 2 2 27 27 LEU CG C 13 27.446 0.5 . 1 . . . B 27 LEU CG . 18111 1 722 . 2 2 27 27 LEU CD1 C 13 24.807 0.5 . 1 . . . B 27 LEU CD1 . 18111 1 723 . 2 2 27 27 LEU CD2 C 13 23.441 0.5 . 1 . . . B 27 LEU CD2 . 18111 1 724 . 2 2 27 27 LEU N N 15 128.700 0.5 . 1 . . . B 27 LEU N . 18111 1 725 . 2 2 28 28 ALA H H 1 9.243 0.05 . 1 . . . B 28 ALA H . 18111 1 726 . 2 2 28 28 ALA HA H 1 4.040 0.05 . 1 . . . B 28 ALA HA . 18111 1 727 . 2 2 28 28 ALA HB1 H 1 1.313 0.05 . 1 . . . B 28 ALA HB1 . 18111 1 728 . 2 2 28 28 ALA HB2 H 1 1.313 0.05 . 1 . . . B 28 ALA HB2 . 18111 1 729 . 2 2 28 28 ALA HB3 H 1 1.313 0.05 . 1 . . . B 28 ALA HB3 . 18111 1 730 . 2 2 28 28 ALA C C 13 179.462 0.5 . 1 . . . B 28 ALA C . 18111 1 731 . 2 2 28 28 ALA CA C 13 51.966 0.5 . 1 . . . B 28 ALA CA . 18111 1 732 . 2 2 28 28 ALA CB C 13 18.040 0.5 . 1 . . . B 28 ALA CB . 18111 1 733 . 2 2 28 28 ALA N N 15 124.154 0.5 . 1 . . . B 28 ALA N . 18111 1 734 . 2 2 29 29 GLU H H 1 8.342 0.05 . 1 . . . B 29 GLU H . 18111 1 735 . 2 2 29 29 GLU HA H 1 3.936 0.05 . 1 . . . B 29 GLU HA . 18111 1 736 . 2 2 29 29 GLU HB2 H 1 1.330 0.05 . 2 . . . B 29 GLU HB2 . 18111 1 737 . 2 2 29 29 GLU HB3 H 1 1.332 0.05 . 2 . . . B 29 GLU HB3 . 18111 1 738 . 2 2 29 29 GLU HG2 H 1 2.260 0.05 . 2 . . . B 29 GLU HG2 . 18111 1 739 . 2 2 29 29 GLU HG3 H 1 2.260 0.05 . 2 . . . B 29 GLU HG3 . 18111 1 740 . 2 2 29 29 GLU C C 13 175.569 0.5 . 1 . . . B 29 GLU C . 18111 1 741 . 2 2 29 29 GLU CA C 13 57.320 0.5 . 1 . . . B 29 GLU CA . 18111 1 742 . 2 2 29 29 GLU CB C 13 30.056 0.5 . 1 . . . B 29 GLU CB . 18111 1 743 . 2 2 29 29 GLU CG C 13 35.453 0.5 . 1 . . . B 29 GLU CG . 18111 1 744 . 2 2 29 29 GLU N N 15 126.521 0.5 . 1 . . . B 29 GLU N . 18111 1 745 . 2 2 30 30 ILE H H 1 6.701 0.05 . 1 . . . B 30 ILE H . 18111 1 746 . 2 2 30 30 ILE HA H 1 4.387 0.05 . 1 . . . B 30 ILE HA . 18111 1 747 . 2 2 30 30 ILE HB H 1 1.776 0.05 . 1 . . . B 30 ILE HB . 18111 1 748 . 2 2 30 30 ILE HG21 H 1 0.713 0.05 . 1 . . . B 30 ILE HG21 . 18111 1 749 . 2 2 30 30 ILE HG22 H 1 0.713 0.05 . 1 . . . B 30 ILE HG22 . 18111 1 750 . 2 2 30 30 ILE HG23 H 1 0.713 0.05 . 1 . . . B 30 ILE HG23 . 18111 1 751 . 2 2 30 30 ILE HD11 H 1 0.876 0.05 . 1 . . . B 30 ILE HD11 . 18111 1 752 . 2 2 30 30 ILE HD12 H 1 0.876 0.05 . 1 . . . B 30 ILE HD12 . 18111 1 753 . 2 2 30 30 ILE HD13 H 1 0.876 0.05 . 1 . . . B 30 ILE HD13 . 18111 1 754 . 2 2 30 30 ILE C C 13 172.899 0.5 . 1 . . . B 30 ILE C . 18111 1 755 . 2 2 30 30 ILE CA C 13 58.682 0.5 . 1 . . . B 30 ILE CA . 18111 1 756 . 2 2 30 30 ILE CB C 13 42.956 0.5 . 1 . . . B 30 ILE CB . 18111 1 757 . 2 2 30 30 ILE CG1 C 13 25.262 0.5 . 1 . . . B 30 ILE CG1 . 18111 1 758 . 2 2 30 30 ILE CG2 C 13 17.707 0.5 . 1 . . . B 30 ILE CG2 . 18111 1 759 . 2 2 30 30 ILE CD1 C 13 14.885 0.5 . 1 . . . B 30 ILE CD1 . 18111 1 760 . 2 2 30 30 ILE N N 15 107.034 0.5 . 1 . . . B 30 ILE N . 18111 1 761 . 2 2 31 31 SER H H 1 7.887 0.05 . 1 . . . B 31 SER H . 18111 1 762 . 2 2 31 31 SER HA H 1 4.766 0.05 . 1 . . . B 31 SER HA . 18111 1 763 . 2 2 31 31 SER HB2 H 1 3.775 0.05 . 2 . . . B 31 SER HB2 . 18111 1 764 . 2 2 31 31 SER HB3 H 1 4.030 0.05 . 2 . . . B 31 SER HB3 . 18111 1 765 . 2 2 31 31 SER C C 13 174.795 0.5 . 1 . . . B 31 SER C . 18111 1 766 . 2 2 31 31 SER CA C 13 56.389 0.5 . 1 . . . B 31 SER CA . 18111 1 767 . 2 2 31 31 SER CB C 13 64.006 0.5 . 1 . . . B 31 SER CB . 18111 1 768 . 2 2 31 31 SER N N 15 112.862 0.5 . 1 . . . B 31 SER N . 18111 1 769 . 2 2 32 32 GLY H H 1 8.575 0.05 . 1 . . . B 32 GLY H . 18111 1 770 . 2 2 32 32 GLY HA2 H 1 3.672 0.05 . 2 . . . B 32 GLY HA2 . 18111 1 771 . 2 2 32 32 GLY HA3 H 1 4.115 0.05 . 2 . . . B 32 GLY HA3 . 18111 1 772 . 2 2 32 32 GLY C C 13 170.516 0.5 . 1 . . . B 32 GLY C . 18111 1 773 . 2 2 32 32 GLY CA C 13 45.741 0.5 . 1 . . . B 32 GLY CA . 18111 1 774 . 2 2 32 32 GLY N N 15 110.064 0.5 . 1 . . . B 32 GLY N . 18111 1 775 . 2 2 33 33 ILE H H 1 8.446 0.05 . 1 . . . B 33 ILE H . 18111 1 776 . 2 2 33 33 ILE HA H 1 4.624 0.05 . 1 . . . B 33 ILE HA . 18111 1 777 . 2 2 33 33 ILE HB H 1 1.785 0.05 . 1 . . . B 33 ILE HB . 18111 1 778 . 2 2 33 33 ILE HG12 H 1 1.243 0.05 . 1 . . . B 33 ILE HG12 . 18111 1 779 . 2 2 33 33 ILE HG13 H 1 1.481 0.05 . 1 . . . B 33 ILE HG13 . 18111 1 780 . 2 2 33 33 ILE HG21 H 1 0.809 0.05 . 1 . . . B 33 ILE HG21 . 18111 1 781 . 2 2 33 33 ILE HG22 H 1 0.809 0.05 . 1 . . . B 33 ILE HG22 . 18111 1 782 . 2 2 33 33 ILE HG23 H 1 0.809 0.05 . 1 . . . B 33 ILE HG23 . 18111 1 783 . 2 2 33 33 ILE HD11 H 1 0.774 0.05 . 1 . . . B 33 ILE HD11 . 18111 1 784 . 2 2 33 33 ILE HD12 H 1 0.774 0.05 . 1 . . . B 33 ILE HD12 . 18111 1 785 . 2 2 33 33 ILE HD13 H 1 0.774 0.05 . 1 . . . B 33 ILE HD13 . 18111 1 786 . 2 2 33 33 ILE C C 13 177.404 0.5 . 1 . . . B 33 ILE C . 18111 1 787 . 2 2 33 33 ILE CA C 13 59.338 0.5 . 1 . . . B 33 ILE CA . 18111 1 788 . 2 2 33 33 ILE CB C 13 38.573 0.5 . 1 . . . B 33 ILE CB . 18111 1 789 . 2 2 33 33 ILE CG1 C 13 27.902 0.5 . 1 . . . B 33 ILE CG1 . 18111 1 790 . 2 2 33 33 ILE CG2 C 13 17.525 0.5 . 1 . . . B 33 ILE CG2 . 18111 1 791 . 2 2 33 33 ILE CD1 C 13 11.335 0.5 . 1 . . . B 33 ILE CD1 . 18111 1 792 . 2 2 33 33 ILE N N 15 120.398 0.5 . 1 . . . B 33 ILE N . 18111 1 793 . 2 2 34 34 VAL H H 1 8.993 0.05 . 1 . . . B 34 VAL H . 18111 1 794 . 2 2 34 34 VAL HA H 1 4.700 0.05 . 1 . . . B 34 VAL HA . 18111 1 795 . 2 2 34 34 VAL HB H 1 2.059 0.05 . 1 . . . B 34 VAL HB . 18111 1 796 . 2 2 34 34 VAL HG11 H 1 0.936 0.05 . 2 . . . B 34 VAL HG11 . 18111 1 797 . 2 2 34 34 VAL HG12 H 1 0.936 0.05 . 2 . . . B 34 VAL HG12 . 18111 1 798 . 2 2 34 34 VAL HG13 H 1 0.936 0.05 . 2 . . . B 34 VAL HG13 . 18111 1 799 . 2 2 34 34 VAL HG21 H 1 0.531 0.05 . 2 . . . B 34 VAL HG21 . 18111 1 800 . 2 2 34 34 VAL HG22 H 1 0.531 0.05 . 2 . . . B 34 VAL HG22 . 18111 1 801 . 2 2 34 34 VAL HG23 H 1 0.531 0.05 . 2 . . . B 34 VAL HG23 . 18111 1 802 . 2 2 34 34 VAL C C 13 175.243 0.5 . 1 . . . B 34 VAL C . 18111 1 803 . 2 2 34 34 VAL CA C 13 62.628 0.5 . 1 . . . B 34 VAL CA . 18111 1 804 . 2 2 34 34 VAL CB C 13 32.815 0.5 . 1 . . . B 34 VAL CB . 18111 1 805 . 2 2 34 34 VAL CG1 C 13 23.493 0.5 . 1 . . . B 34 VAL CG1 . 18111 1 806 . 2 2 34 34 VAL CG2 C 13 21.573 0.5 . 1 . . . B 34 VAL CG2 . 18111 1 807 . 2 2 34 34 VAL N N 15 131.785 0.5 . 1 . . . B 34 VAL N . 18111 1 808 . 2 2 35 35 SER H H 1 9.670 0.05 . 1 . . . B 35 SER H . 18111 1 809 . 2 2 35 35 SER HA H 1 4.219 0.05 . 1 . . . B 35 SER HA . 18111 1 810 . 2 2 35 35 SER HB2 H 1 3.851 0.05 . 2 . . . B 35 SER HB2 . 18111 1 811 . 2 2 35 35 SER HB3 H 1 4.011 0.05 . 2 . . . B 35 SER HB3 . 18111 1 812 . 2 2 35 35 SER C C 13 170.515 0.5 . 1 . . . B 35 SER C . 18111 1 813 . 2 2 35 35 SER CA C 13 58.027 0.5 . 1 . . . B 35 SER CA . 18111 1 814 . 2 2 35 35 SER CB C 13 65.234 0.5 . 1 . . . B 35 SER CB . 18111 1 815 . 2 2 35 35 SER N N 15 122.774 0.5 . 1 . . . B 35 SER N . 18111 1 816 . 2 2 36 36 PHE H H 1 8.500 0.05 . 1 . . . B 36 PHE H . 18111 1 817 . 2 2 36 36 PHE HA H 1 5.775 0.05 . 1 . . . B 36 PHE HA . 18111 1 818 . 2 2 36 36 PHE HB2 H 1 2.927 0.05 . 2 . . . B 36 PHE HB2 . 18111 1 819 . 2 2 36 36 PHE HB3 H 1 3.436 0.05 . 2 . . . B 36 PHE HB3 . 18111 1 820 . 2 2 36 36 PHE HD1 H 1 7.261 0.05 . 3 . . . B 36 PHE HD1 . 18111 1 821 . 2 2 36 36 PHE HD2 H 1 7.261 0.05 . 3 . . . B 36 PHE HD2 . 18111 1 822 . 2 2 36 36 PHE HE1 H 1 7.029 0.05 . 3 . . . B 36 PHE HE1 . 18111 1 823 . 2 2 36 36 PHE HE2 H 1 7.029 0.05 . 3 . . . B 36 PHE HE2 . 18111 1 824 . 2 2 36 36 PHE C C 13 177.567 0.5 . 1 . . . B 36 PHE C . 18111 1 825 . 2 2 36 36 PHE CA C 13 55.897 0.5 . 1 . . . B 36 PHE CA . 18111 1 826 . 2 2 36 36 PHE CB C 13 40.663 0.5 . 1 . . . B 36 PHE CB . 18111 1 827 . 2 2 36 36 PHE CD1 C 13 131.742 0.5 . 3 . . . B 36 PHE CD1 . 18111 1 828 . 2 2 36 36 PHE CD2 C 13 131.742 0.5 . 3 . . . B 36 PHE CD2 . 18111 1 829 . 2 2 36 36 PHE CE1 C 13 130.648 0.5 . 3 . . . B 36 PHE CE1 . 18111 1 830 . 2 2 36 36 PHE CE2 C 13 130.648 0.5 . 3 . . . B 36 PHE CE2 . 18111 1 831 . 2 2 36 36 PHE N N 15 115.035 0.5 . 1 . . . B 36 PHE N . 18111 1 832 . 2 2 37 37 GLY H H 1 9.179 0.05 . 1 . . . B 37 GLY H . 18111 1 833 . 2 2 37 37 GLY HA2 H 1 3.587 0.05 . 2 . . . B 37 GLY HA2 . 18111 1 834 . 2 2 37 37 GLY HA3 H 1 4.624 0.05 . 2 . . . B 37 GLY HA3 . 18111 1 835 . 2 2 37 37 GLY C C 13 173.960 0.5 . 1 . . . B 37 GLY C . 18111 1 836 . 2 2 37 37 GLY CA C 13 43.611 0.5 . 1 . . . B 37 GLY CA . 18111 1 837 . 2 2 37 37 GLY N N 15 110.705 0.5 . 1 . . . B 37 GLY N . 18111 1 838 . 2 2 38 38 LYS H H 1 8.716 0.05 . 1 . . . B 38 LYS H . 18111 1 839 . 2 2 38 38 LYS HA H 1 4.219 0.05 . 1 . . . B 38 LYS HA . 18111 1 840 . 2 2 38 38 LYS HB2 H 1 1.747 0.05 . 2 . . . B 38 LYS HB2 . 18111 1 841 . 2 2 38 38 LYS HB3 H 1 1.747 0.05 . 2 . . . B 38 LYS HB3 . 18111 1 842 . 2 2 38 38 LYS HG2 H 1 1.419 0.05 . 2 . . . B 38 LYS HG2 . 18111 1 843 . 2 2 38 38 LYS HG3 H 1 1.550 0.05 . 2 . . . B 38 LYS HG3 . 18111 1 844 . 2 2 38 38 LYS HD2 H 1 1.722 0.05 . 2 . . . B 38 LYS HD2 . 18111 1 845 . 2 2 38 38 LYS HD3 H 1 1.722 0.05 . 2 . . . B 38 LYS HD3 . 18111 1 846 . 2 2 38 38 LYS HE2 H 1 2.998 0.05 . 2 . . . B 38 LYS HE2 . 18111 1 847 . 2 2 38 38 LYS HE3 H 1 2.998 0.05 . 2 . . . B 38 LYS HE3 . 18111 1 848 . 2 2 38 38 LYS C C 13 176.364 0.5 . 1 . . . B 38 LYS C . 18111 1 849 . 2 2 38 38 LYS CA C 13 57.371 0.5 . 1 . . . B 38 LYS CA . 18111 1 850 . 2 2 38 38 LYS CB C 13 32.783 0.5 . 1 . . . B 38 LYS CB . 18111 1 851 . 2 2 38 38 LYS CG C 13 24.589 0.5 . 1 . . . B 38 LYS CG . 18111 1 852 . 2 2 38 38 LYS CD C 13 28.885 0.5 . 1 . . . B 38 LYS CD . 18111 1 853 . 2 2 38 38 LYS CE C 13 41.881 0.5 . 1 . . . B 38 LYS CE . 18111 1 854 . 2 2 38 38 LYS N N 15 123.737 0.5 . 1 . . . B 38 LYS N . 18111 1 855 . 2 2 39 39 GLU H H 1 8.582 0.05 . 1 . . . B 39 GLU H . 18111 1 856 . 2 2 39 39 GLU HA H 1 4.568 0.05 . 1 . . . B 39 GLU HA . 18111 1 857 . 2 2 39 39 GLU HB2 H 1 1.993 0.05 . 2 . . . B 39 GLU HB2 . 18111 1 858 . 2 2 39 39 GLU HB3 H 1 1.993 0.05 . 2 . . . B 39 GLU HB3 . 18111 1 859 . 2 2 39 39 GLU HG2 H 1 2.238 0.05 . 2 . . . B 39 GLU HG2 . 18111 1 860 . 2 2 39 39 GLU HG3 H 1 2.370 0.05 . 2 . . . B 39 GLU HG3 . 18111 1 861 . 2 2 39 39 GLU C C 13 177.118 0.5 . 1 . . . B 39 GLU C . 18111 1 862 . 2 2 39 39 GLU CA C 13 56.716 0.5 . 1 . . . B 39 GLU CA . 18111 1 863 . 2 2 39 39 GLU CB C 13 30.571 0.5 . 1 . . . B 39 GLU CB . 18111 1 864 . 2 2 39 39 GLU CG C 13 36.309 0.5 . 1 . . . B 39 GLU CG . 18111 1 865 . 2 2 39 39 GLU N N 15 126.129 0.5 . 1 . . . B 39 GLU N . 18111 1 866 . 2 2 40 40 THR H H 1 8.202 0.05 . 1 . . . B 40 THR H . 18111 1 867 . 2 2 40 40 THR HA H 1 4.543 0.05 . 1 . . . B 40 THR HA . 18111 1 868 . 2 2 40 40 THR HB H 1 4.022 0.05 . 1 . . . B 40 THR HB . 18111 1 869 . 2 2 40 40 THR HG21 H 1 1.109 0.05 . 1 . . . B 40 THR HG21 . 18111 1 870 . 2 2 40 40 THR HG22 H 1 1.109 0.05 . 1 . . . B 40 THR HG22 . 18111 1 871 . 2 2 40 40 THR HG23 H 1 1.109 0.05 . 1 . . . B 40 THR HG23 . 18111 1 872 . 2 2 40 40 THR C C 13 173.063 0.5 . 1 . . . B 40 THR C . 18111 1 873 . 2 2 40 40 THR CA C 13 61.057 0.5 . 1 . . . B 40 THR CA . 18111 1 874 . 2 2 40 40 THR CB C 13 70.968 0.5 . 1 . . . B 40 THR CB . 18111 1 875 . 2 2 40 40 THR CG2 C 13 20.722 0.5 . 1 . . . B 40 THR CG2 . 18111 1 876 . 2 2 40 40 THR N N 15 117.595 0.5 . 1 . . . B 40 THR N . 18111 1 877 . 2 2 41 41 LYS HA H 1 4.672 0.05 . 1 . . . B 41 LYS HA . 18111 1 878 . 2 2 41 41 LYS HB2 H 1 2.634 0.05 . 2 . . . B 41 LYS HB2 . 18111 1 879 . 2 2 41 41 LYS HB3 H 1 2.710 0.05 . 2 . . . B 41 LYS HB3 . 18111 1 880 . 2 2 41 41 LYS CA C 13 54.311 0.5 . 1 . . . B 41 LYS CA . 18111 1 881 . 2 2 41 41 LYS CB C 13 41.241 0.5 . 1 . . . B 41 LYS CB . 18111 1 882 . 2 2 42 42 GLY H H 1 7.904 0.05 . 1 . . . B 42 GLY H . 18111 1 883 . 2 2 42 42 GLY HA2 H 1 3.785 0.05 . 2 . . . B 42 GLY HA2 . 18111 1 884 . 2 2 42 42 GLY HA3 H 1 4.191 0.05 . 2 . . . B 42 GLY HA3 . 18111 1 885 . 2 2 42 42 GLY CA C 13 46.396 0.5 . 1 . . . B 42 GLY CA . 18111 1 886 . 2 2 42 42 GLY N N 15 115.021 0.5 . 1 . . . B 42 GLY N . 18111 1 887 . 2 2 43 43 LYS H H 1 8.323 0.05 . 1 . . . B 43 LYS H . 18111 1 888 . 2 2 43 43 LYS HA H 1 4.719 0.05 . 1 . . . B 43 LYS HA . 18111 1 889 . 2 2 43 43 LYS HB2 H 1 1.679 0.05 . 2 . . . B 43 LYS HB2 . 18111 1 890 . 2 2 43 43 LYS HB3 H 1 2.021 0.05 . 2 . . . B 43 LYS HB3 . 18111 1 891 . 2 2 43 43 LYS HG2 H 1 1.297 0.05 . 2 . . . B 43 LYS HG2 . 18111 1 892 . 2 2 43 43 LYS HG3 H 1 1.297 0.05 . 2 . . . B 43 LYS HG3 . 18111 1 893 . 2 2 43 43 LYS HD2 H 1 1.295 0.05 . 2 . . . B 43 LYS HD2 . 18111 1 894 . 2 2 43 43 LYS HD3 H 1 1.446 0.05 . 2 . . . B 43 LYS HD3 . 18111 1 895 . 2 2 43 43 LYS HE2 H 1 2.652 0.05 . 2 . . . B 43 LYS HE2 . 18111 1 896 . 2 2 43 43 LYS HE3 H 1 2.830 0.05 . 2 . . . B 43 LYS HE3 . 18111 1 897 . 2 2 43 43 LYS CA C 13 54.505 0.5 . 1 . . . B 43 LYS CA . 18111 1 898 . 2 2 43 43 LYS CB C 13 34.748 0.5 . 1 . . . B 43 LYS CB . 18111 1 899 . 2 2 43 43 LYS CG C 13 25.623 0.5 . 1 . . . B 43 LYS CG . 18111 1 900 . 2 2 43 43 LYS CD C 13 28.812 0.5 . 1 . . . B 43 LYS CD . 18111 1 901 . 2 2 43 43 LYS CE C 13 42.483 0.5 . 1 . . . B 43 LYS CE . 18111 1 902 . 2 2 43 43 LYS N N 15 121.239 0.5 . 1 . . . B 43 LYS N . 18111 1 903 . 2 2 44 44 ARG H H 1 8.936 0.05 . 1 . . . B 44 ARG H . 18111 1 904 . 2 2 44 44 ARG HA H 1 4.474 0.05 . 1 . . . B 44 ARG HA . 18111 1 905 . 2 2 44 44 ARG HB2 H 1 1.484 0.05 . 2 . . . B 44 ARG HB2 . 18111 1 906 . 2 2 44 44 ARG HB3 H 1 1.618 0.05 . 2 . . . B 44 ARG HB3 . 18111 1 907 . 2 2 44 44 ARG HG2 H 1 1.416 0.05 . 2 . . . B 44 ARG HG2 . 18111 1 908 . 2 2 44 44 ARG HG3 H 1 1.456 0.05 . 2 . . . B 44 ARG HG3 . 18111 1 909 . 2 2 44 44 ARG HD2 H 1 2.729 0.05 . 2 . . . B 44 ARG HD2 . 18111 1 910 . 2 2 44 44 ARG HD3 H 1 2.823 0.05 . 2 . . . B 44 ARG HD3 . 18111 1 911 . 2 2 44 44 ARG C C 13 174.184 0.5 . 1 . . . B 44 ARG C . 18111 1 912 . 2 2 44 44 ARG CA C 13 54.423 0.5 . 1 . . . B 44 ARG CA . 18111 1 913 . 2 2 44 44 ARG CB C 13 32.619 0.5 . 1 . . . B 44 ARG CB . 18111 1 914 . 2 2 44 44 ARG CG C 13 27.629 0.5 . 1 . . . B 44 ARG CG . 18111 1 915 . 2 2 44 44 ARG CD C 13 43.666 0.5 . 1 . . . B 44 ARG CD . 18111 1 916 . 2 2 44 44 ARG N N 15 118.685 0.5 . 1 . . . B 44 ARG N . 18111 1 917 . 2 2 45 45 ARG H H 1 8.881 0.05 . 1 . . . B 45 ARG H . 18111 1 918 . 2 2 45 45 ARG HA H 1 5.058 0.05 . 1 . . . B 45 ARG HA . 18111 1 919 . 2 2 45 45 ARG HB2 H 1 1.493 0.05 . 2 . . . B 45 ARG HB2 . 18111 1 920 . 2 2 45 45 ARG HB3 H 1 1.493 0.05 . 2 . . . B 45 ARG HB3 . 18111 1 921 . 2 2 45 45 ARG HG2 H 1 1.189 0.05 . 2 . . . B 45 ARG HG2 . 18111 1 922 . 2 2 45 45 ARG HG3 H 1 1.411 0.05 . 2 . . . B 45 ARG HG3 . 18111 1 923 . 2 2 45 45 ARG HD2 H 1 3.292 0.05 . 2 . . . B 45 ARG HD2 . 18111 1 924 . 2 2 45 45 ARG HD3 H 1 3.292 0.05 . 2 . . . B 45 ARG HD3 . 18111 1 925 . 2 2 45 45 ARG C C 13 174.999 0.5 . 1 . . . B 45 ARG C . 18111 1 926 . 2 2 45 45 ARG CA C 13 54.095 0.5 . 1 . . . B 45 ARG CA . 18111 1 927 . 2 2 45 45 ARG CB C 13 32.298 0.5 . 1 . . . B 45 ARG CB . 18111 1 928 . 2 2 45 45 ARG CG C 13 28.154 0.5 . 1 . . . B 45 ARG CG . 18111 1 929 . 2 2 45 45 ARG CD C 13 43.252 0.5 . 1 . . . B 45 ARG CD . 18111 1 930 . 2 2 45 45 ARG N N 15 126.346 0.5 . 1 . . . B 45 ARG N . 18111 1 931 . 2 2 46 46 LEU H H 1 8.858 0.05 . 1 . . . B 46 LEU H . 18111 1 932 . 2 2 46 46 LEU HA H 1 4.417 0.05 . 1 . . . B 46 LEU HA . 18111 1 933 . 2 2 46 46 LEU HB2 H 1 1.213 0.05 . 2 . . . B 46 LEU HB2 . 18111 1 934 . 2 2 46 46 LEU HB3 H 1 1.915 0.05 . 2 . . . B 46 LEU HB3 . 18111 1 935 . 2 2 46 46 LEU HG H 1 1.638 0.05 . 1 . . . B 46 LEU HG . 18111 1 936 . 2 2 46 46 LEU HD11 H 1 0.821 0.05 . 2 . . . B 46 LEU HD11 . 18111 1 937 . 2 2 46 46 LEU HD12 H 1 0.821 0.05 . 2 . . . B 46 LEU HD12 . 18111 1 938 . 2 2 46 46 LEU HD13 H 1 0.821 0.05 . 2 . . . B 46 LEU HD13 . 18111 1 939 . 2 2 46 46 LEU C C 13 173.593 0.5 . 1 . . . B 46 LEU C . 18111 1 940 . 2 2 46 46 LEU CA C 13 55.324 0.5 . 1 . . . B 46 LEU CA . 18111 1 941 . 2 2 46 46 LEU CB C 13 43.775 0.5 . 1 . . . B 46 LEU CB . 18111 1 942 . 2 2 46 46 LEU CG C 13 27.446 0.5 . 1 . . . B 46 LEU CG . 18111 1 943 . 2 2 46 46 LEU CD1 C 13 24.898 0.5 . 1 . . . B 46 LEU CD1 . 18111 1 944 . 2 2 46 46 LEU N N 15 130.427 0.5 . 1 . . . B 46 LEU N . 18111 1 945 . 2 2 47 47 VAL H H 1 8.665 0.05 . 1 . . . B 47 VAL H . 18111 1 946 . 2 2 47 47 VAL HA H 1 4.973 0.05 . 1 . . . B 47 VAL HA . 18111 1 947 . 2 2 47 47 VAL HB H 1 2.059 0.05 . 1 . . . B 47 VAL HB . 18111 1 948 . 2 2 47 47 VAL HG11 H 1 0.791 0.05 . 2 . . . B 47 VAL HG11 . 18111 1 949 . 2 2 47 47 VAL HG12 H 1 0.791 0.05 . 2 . . . B 47 VAL HG12 . 18111 1 950 . 2 2 47 47 VAL HG13 H 1 0.791 0.05 . 2 . . . B 47 VAL HG13 . 18111 1 951 . 2 2 47 47 VAL HG21 H 1 0.791 0.05 . 2 . . . B 47 VAL HG21 . 18111 1 952 . 2 2 47 47 VAL HG22 H 1 0.791 0.05 . 2 . . . B 47 VAL HG22 . 18111 1 953 . 2 2 47 47 VAL HG23 H 1 0.791 0.05 . 2 . . . B 47 VAL HG23 . 18111 1 954 . 2 2 47 47 VAL C C 13 175.529 0.5 . 1 . . . B 47 VAL C . 18111 1 955 . 2 2 47 47 VAL CA C 13 60.811 0.5 . 1 . . . B 47 VAL CA . 18111 1 956 . 2 2 47 47 VAL CB C 13 32.946 0.5 . 1 . . . B 47 VAL CB . 18111 1 957 . 2 2 47 47 VAL CG1 C 13 20.619 0.5 . 1 . . . B 47 VAL CG1 . 18111 1 958 . 2 2 47 47 VAL CG2 C 13 20.619 0.5 . 1 . . . B 47 VAL CG2 . 18111 1 959 . 2 2 47 47 VAL N N 15 127.940 0.5 . 1 . . . B 47 VAL N . 18111 1 960 . 2 2 48 48 ILE H H 1 9.374 0.05 . 1 . . . B 48 ILE H . 18111 1 961 . 2 2 48 48 ILE HA H 1 4.606 0.05 . 1 . . . B 48 ILE HA . 18111 1 962 . 2 2 48 48 ILE HB H 1 1.540 0.05 . 1 . . . B 48 ILE HB . 18111 1 963 . 2 2 48 48 ILE HG21 H 1 0.363 0.05 . 1 . . . B 48 ILE HG21 . 18111 1 964 . 2 2 48 48 ILE HG22 H 1 0.363 0.05 . 1 . . . B 48 ILE HG22 . 18111 1 965 . 2 2 48 48 ILE HG23 H 1 0.363 0.05 . 1 . . . B 48 ILE HG23 . 18111 1 966 . 2 2 48 48 ILE HD11 H 1 0.813 0.05 . 1 . . . B 48 ILE HD11 . 18111 1 967 . 2 2 48 48 ILE HD12 H 1 0.813 0.05 . 1 . . . B 48 ILE HD12 . 18111 1 968 . 2 2 48 48 ILE HD13 H 1 0.813 0.05 . 1 . . . B 48 ILE HD13 . 18111 1 969 . 2 2 48 48 ILE C C 13 175.732 0.5 . 1 . . . B 48 ILE C . 18111 1 970 . 2 2 48 48 ILE CA C 13 60.730 0.5 . 1 . . . B 48 ILE CA . 18111 1 971 . 2 2 48 48 ILE CB C 13 39.745 0.5 . 1 . . . B 48 ILE CB . 18111 1 972 . 2 2 48 48 ILE CG1 C 13 27.173 0.5 . 1 . . . B 48 ILE CG1 . 18111 1 973 . 2 2 48 48 ILE CG2 C 13 17.707 0.5 . 1 . . . B 48 ILE CG2 . 18111 1 974 . 2 2 48 48 ILE CD1 C 13 13.246 0.5 . 1 . . . B 48 ILE CD1 . 18111 1 975 . 2 2 48 48 ILE N N 15 124.228 0.5 . 1 . . . B 48 ILE N . 18111 1 976 . 2 2 49 49 THR H H 1 9.018 0.05 . 1 . . . B 49 THR H . 18111 1 977 . 2 2 49 49 THR HA H 1 4.557 0.05 . 1 . . . B 49 THR HA . 18111 1 978 . 2 2 49 49 THR HB H 1 3.961 0.05 . 1 . . . B 49 THR HB . 18111 1 979 . 2 2 49 49 THR HG21 H 1 1.109 0.05 . 1 . . . B 49 THR HG21 . 18111 1 980 . 2 2 49 49 THR HG22 H 1 1.109 0.05 . 1 . . . B 49 THR HG22 . 18111 1 981 . 2 2 49 49 THR HG23 H 1 1.109 0.05 . 1 . . . B 49 THR HG23 . 18111 1 982 . 2 2 49 49 THR C C 13 173.572 0.5 . 1 . . . B 49 THR C . 18111 1 983 . 2 2 49 49 THR CA C 13 60.893 0.5 . 1 . . . B 49 THR CA . 18111 1 984 . 2 2 49 49 THR CB C 13 69.821 0.5 . 1 . . . B 49 THR CB . 18111 1 985 . 2 2 49 49 THR CG2 C 13 20.449 0.5 . 1 . . . B 49 THR CG2 . 18111 1 986 . 2 2 49 49 THR N N 15 124.978 0.5 . 1 . . . B 49 THR N . 18111 1 987 . 2 2 50 50 PRO HA H 1 4.804 0.05 . 1 . . . B 50 PRO HA . 18111 1 988 . 2 2 50 50 PRO HB2 H 1 2.012 0.05 . 2 . . . B 50 PRO HB2 . 18111 1 989 . 2 2 50 50 PRO HB3 H 1 2.427 0.05 . 2 . . . B 50 PRO HB3 . 18111 1 990 . 2 2 50 50 PRO HG2 H 1 1.956 0.05 . 2 . . . B 50 PRO HG2 . 18111 1 991 . 2 2 50 50 PRO HG3 H 1 1.956 0.05 . 2 . . . B 50 PRO HG3 . 18111 1 992 . 2 2 50 50 PRO HD2 H 1 3.619 0.05 . 2 . . . B 50 PRO HD2 . 18111 1 993 . 2 2 50 50 PRO HD3 H 1 4.171 0.05 . 2 . . . B 50 PRO HD3 . 18111 1 994 . 2 2 50 50 PRO C C 13 177.913 0.5 . 1 . . . B 50 PRO C . 18111 1 995 . 2 2 50 50 PRO CA C 13 62.777 0.5 . 1 . . . B 50 PRO CA . 18111 1 996 . 2 2 50 50 PRO CB C 13 33.684 0.5 . 1 . . . B 50 PRO CB . 18111 1 997 . 2 2 50 50 PRO CG C 13 27.741 0.5 . 1 . . . B 50 PRO CG . 18111 1 998 . 2 2 50 50 PRO CD C 13 52.004 0.5 . 1 . . . B 50 PRO CD . 18111 1 999 . 2 2 51 51 VAL H H 1 8.584 0.05 . 1 . . . B 51 VAL H . 18111 1 1000 . 2 2 51 51 VAL HA H 1 4.200 0.05 . 1 . . . B 51 VAL HA . 18111 1 1001 . 2 2 51 51 VAL HB H 1 2.370 0.05 . 1 . . . B 51 VAL HB . 18111 1 1002 . 2 2 51 51 VAL HG11 H 1 0.992 0.05 . 2 . . . B 51 VAL HG11 . 18111 1 1003 . 2 2 51 51 VAL HG12 H 1 0.992 0.05 . 2 . . . B 51 VAL HG12 . 18111 1 1004 . 2 2 51 51 VAL HG13 H 1 0.992 0.05 . 2 . . . B 51 VAL HG13 . 18111 1 1005 . 2 2 51 51 VAL HG21 H 1 0.922 0.05 . 2 . . . B 51 VAL HG21 . 18111 1 1006 . 2 2 51 51 VAL HG22 H 1 0.922 0.05 . 2 . . . B 51 VAL HG22 . 18111 1 1007 . 2 2 51 51 VAL HG23 H 1 0.922 0.05 . 2 . . . B 51 VAL HG23 . 18111 1 1008 . 2 2 51 51 VAL C C 13 176.323 0.5 . 1 . . . B 51 VAL C . 18111 1 1009 . 2 2 51 51 VAL CA C 13 62.777 0.5 . 1 . . . B 51 VAL CA . 18111 1 1010 . 2 2 51 51 VAL CB C 13 31.390 0.5 . 1 . . . B 51 VAL CB . 18111 1 1011 . 2 2 51 51 VAL CG1 C 13 20.984 0.5 . 1 . . . B 51 VAL CG1 . 18111 1 1012 . 2 2 51 51 VAL CG2 C 13 19.072 0.5 . 1 . . . B 51 VAL CG2 . 18111 1 1013 . 2 2 51 51 VAL N N 15 116.090 0.5 . 1 . . . B 51 VAL N . 18111 1 1014 . 2 2 52 52 ASP H H 1 7.756 0.05 . 1 . . . B 52 ASP H . 18111 1 1015 . 2 2 52 52 ASP HA H 1 4.596 0.05 . 1 . . . B 52 ASP HA . 18111 1 1016 . 2 2 52 52 ASP HB2 H 1 2.568 0.05 . 2 . . . B 52 ASP HB2 . 18111 1 1017 . 2 2 52 52 ASP HB3 H 1 3.106 0.05 . 2 . . . B 52 ASP HB3 . 18111 1 1018 . 2 2 52 52 ASP C C 13 177.240 0.5 . 1 . . . B 52 ASP C . 18111 1 1019 . 2 2 52 52 ASP CA C 13 53.358 0.5 . 1 . . . B 52 ASP CA . 18111 1 1020 . 2 2 52 52 ASP CB C 13 40.826 0.5 . 1 . . . B 52 ASP CB . 18111 1 1021 . 2 2 52 52 ASP N N 15 118.508 0.5 . 1 . . . B 52 ASP N . 18111 1 1022 . 2 2 53 53 GLY H H 1 7.819 0.05 . 1 . . . B 53 GLY H . 18111 1 1023 . 2 2 53 53 GLY HA2 H 1 3.794 0.05 . 2 . . . B 53 GLY HA2 . 18111 1 1024 . 2 2 53 53 GLY HA3 H 1 4.200 0.05 . 2 . . . B 53 GLY HA3 . 18111 1 1025 . 2 2 53 53 GLY C C 13 174.652 0.5 . 1 . . . B 53 GLY C . 18111 1 1026 . 2 2 53 53 GLY CA C 13 45.577 0.5 . 1 . . . B 53 GLY CA . 18111 1 1027 . 2 2 53 53 GLY N N 15 107.578 0.5 . 1 . . . B 53 GLY N . 18111 1 1028 . 2 2 54 54 SER H H 1 7.827 0.05 . 1 . . . B 54 SER H . 18111 1 1029 . 2 2 54 54 SER HA H 1 4.426 0.05 . 1 . . . B 54 SER HA . 18111 1 1030 . 2 2 54 54 SER HB2 H 1 3.964 0.05 . 2 . . . B 54 SER HB2 . 18111 1 1031 . 2 2 54 54 SER HB3 H 1 4.040 0.05 . 2 . . . B 54 SER HB3 . 18111 1 1032 . 2 2 54 54 SER C C 13 172.696 0.5 . 1 . . . B 54 SER C . 18111 1 1033 . 2 2 54 54 SER CA C 13 59.010 0.5 . 1 . . . B 54 SER CA . 18111 1 1034 . 2 2 54 54 SER CB C 13 63.596 0.5 . 1 . . . B 54 SER CB . 18111 1 1035 . 2 2 54 54 SER N N 15 115.662 0.5 . 1 . . . B 54 SER N . 18111 1 1036 . 2 2 55 55 ASP H H 1 8.114 0.05 . 1 . . . B 55 ASP H . 18111 1 1037 . 2 2 55 55 ASP HB2 H 1 2.568 0.05 . 2 . . . B 55 ASP HB2 . 18111 1 1038 . 2 2 55 55 ASP HB3 H 1 2.733 0.05 . 2 . . . B 55 ASP HB3 . 18111 1 1039 . 2 2 55 55 ASP C C 13 174.102 0.5 . 1 . . . B 55 ASP C . 18111 1 1040 . 2 2 55 55 ASP CA C 13 53.849 0.5 . 1 . . . B 55 ASP CA . 18111 1 1041 . 2 2 55 55 ASP CB C 13 40.335 0.5 . 1 . . . B 55 ASP CB . 18111 1 1042 . 2 2 55 55 ASP N N 15 119.004 0.5 . 1 . . . B 55 ASP N . 18111 1 1043 . 2 2 56 56 PRO HA H 1 4.634 0.05 . 1 . . . B 56 PRO HA . 18111 1 1044 . 2 2 56 56 PRO HB2 H 1 1.827 0.05 . 2 . . . B 56 PRO HB2 . 18111 1 1045 . 2 2 56 56 PRO HB3 H 1 2.278 0.05 . 2 . . . B 56 PRO HB3 . 18111 1 1046 . 2 2 56 56 PRO HG2 H 1 2.033 0.05 . 2 . . . B 56 PRO HG2 . 18111 1 1047 . 2 2 56 56 PRO HG3 H 1 2.079 0.05 . 2 . . . B 56 PRO HG3 . 18111 1 1048 . 2 2 56 56 PRO HD2 H 1 3.560 0.05 . 2 . . . B 56 PRO HD2 . 18111 1 1049 . 2 2 56 56 PRO HD3 H 1 3.800 0.05 . 2 . . . B 56 PRO HD3 . 18111 1 1050 . 2 2 56 56 PRO C C 13 175.692 0.5 . 1 . . . B 56 PRO C . 18111 1 1051 . 2 2 56 56 PRO CA C 13 62.941 0.5 . 1 . . . B 56 PRO CA . 18111 1 1052 . 2 2 56 56 PRO CB C 13 32.455 0.5 . 1 . . . B 56 PRO CB . 18111 1 1053 . 2 2 56 56 PRO CG C 13 27.741 0.5 . 1 . . . B 56 PRO CG . 18111 1 1054 . 2 2 56 56 PRO CD C 13 50.910 0.5 . 1 . . . B 56 PRO CD . 18111 1 1055 . 2 2 57 57 TYR H H 1 8.639 0.05 . 1 . . . B 57 TYR H . 18111 1 1056 . 2 2 57 57 TYR HA H 1 4.587 0.05 . 1 . . . B 57 TYR HA . 18111 1 1057 . 2 2 57 57 TYR HB2 H 1 2.997 0.05 . 2 . . . B 57 TYR HB2 . 18111 1 1058 . 2 2 57 57 TYR HB3 H 1 2.997 0.05 . 2 . . . B 57 TYR HB3 . 18111 1 1059 . 2 2 57 57 TYR HD1 H 1 6.949 0.05 . 3 . . . B 57 TYR HD1 . 18111 1 1060 . 2 2 57 57 TYR HD2 H 1 6.949 0.05 . 3 . . . B 57 TYR HD2 . 18111 1 1061 . 2 2 57 57 TYR HE1 H 1 6.885 0.05 . 3 . . . B 57 TYR HE1 . 18111 1 1062 . 2 2 57 57 TYR HE2 H 1 6.885 0.05 . 3 . . . B 57 TYR HE2 . 18111 1 1063 . 2 2 57 57 TYR C C 13 173.450 0.5 . 1 . . . B 57 TYR C . 18111 1 1064 . 2 2 57 57 TYR CA C 13 57.863 0.5 . 1 . . . B 57 TYR CA . 18111 1 1065 . 2 2 57 57 TYR CB C 13 41.727 0.5 . 1 . . . B 57 TYR CB . 18111 1 1066 . 2 2 57 57 TYR CD1 C 13 132.289 0.5 . 3 . . . B 57 TYR CD1 . 18111 1 1067 . 2 2 57 57 TYR CD2 C 13 132.289 0.5 . 3 . . . B 57 TYR CD2 . 18111 1 1068 . 2 2 57 57 TYR CE1 C 13 119.714 0.5 . 3 . . . B 57 TYR CE1 . 18111 1 1069 . 2 2 57 57 TYR CE2 C 13 119.714 0.5 . 3 . . . B 57 TYR CE2 . 18111 1 1070 . 2 2 57 57 TYR N N 15 124.973 0.5 . 1 . . . B 57 TYR N . 18111 1 1071 . 2 2 58 58 GLU H H 1 6.719 0.05 . 1 . . . B 58 GLU H . 18111 1 1072 . 2 2 58 58 GLU HA H 1 5.699 0.05 . 1 . . . B 58 GLU HA . 18111 1 1073 . 2 2 58 58 GLU HB2 H 1 1.737 0.05 . 2 . . . B 58 GLU HB2 . 18111 1 1074 . 2 2 58 58 GLU HB3 H 1 1.737 0.05 . 2 . . . B 58 GLU HB3 . 18111 1 1075 . 2 2 58 58 GLU HG2 H 1 2.062 0.05 . 2 . . . B 58 GLU HG2 . 18111 1 1076 . 2 2 58 58 GLU HG3 H 1 2.132 0.05 . 2 . . . B 58 GLU HG3 . 18111 1 1077 . 2 2 58 58 GLU C C 13 173.980 0.5 . 1 . . . B 58 GLU C . 18111 1 1078 . 2 2 58 58 GLU CA C 13 53.686 0.5 . 1 . . . B 58 GLU CA . 18111 1 1079 . 2 2 58 58 GLU CB C 13 34.257 0.5 . 1 . . . B 58 GLU CB . 18111 1 1080 . 2 2 58 58 GLU CG C 13 36.640 0.5 . 1 . . . B 58 GLU CG . 18111 1 1081 . 2 2 58 58 GLU N N 15 124.075 0.5 . 1 . . . B 58 GLU N . 18111 1 1082 . 2 2 59 59 GLU H H 1 8.854 0.05 . 1 . . . B 59 GLU H . 18111 1 1083 . 2 2 59 59 GLU HA H 1 4.917 0.05 . 1 . . . B 59 GLU HA . 18111 1 1084 . 2 2 59 59 GLU HB2 H 1 2.438 0.05 . 2 . . . B 59 GLU HB2 . 18111 1 1085 . 2 2 59 59 GLU HB3 H 1 2.438 0.05 . 2 . . . B 59 GLU HB3 . 18111 1 1086 . 2 2 59 59 GLU C C 13 174.143 0.5 . 1 . . . B 59 GLU C . 18111 1 1087 . 2 2 59 59 GLU CA C 13 55.488 0.5 . 1 . . . B 59 GLU CA . 18111 1 1088 . 2 2 59 59 GLU CB C 13 34.667 0.5 . 1 . . . B 59 GLU CB . 18111 1 1089 . 2 2 59 59 GLU N N 15 115.961 0.5 . 1 . . . B 59 GLU N . 18111 1 1090 . 2 2 60 60 MET H H 1 8.938 0.05 . 1 . . . B 60 MET H . 18111 1 1091 . 2 2 60 60 MET HA H 1 4.973 0.05 . 1 . . . B 60 MET HA . 18111 1 1092 . 2 2 60 60 MET HB2 H 1 1.464 0.05 . 2 . . . B 60 MET HB2 . 18111 1 1093 . 2 2 60 60 MET HB3 H 1 1.917 0.05 . 2 . . . B 60 MET HB3 . 18111 1 1094 . 2 2 60 60 MET HG2 H 1 2.405 0.05 . 2 . . . B 60 MET HG2 . 18111 1 1095 . 2 2 60 60 MET HG3 H 1 2.405 0.05 . 2 . . . B 60 MET HG3 . 18111 1 1096 . 2 2 60 60 MET HE1 H 1 1.835 0.05 . 1 . . . B 60 MET HE1 . 18111 1 1097 . 2 2 60 60 MET HE2 H 1 1.835 0.05 . 1 . . . B 60 MET HE2 . 18111 1 1098 . 2 2 60 60 MET HE3 H 1 1.835 0.05 . 1 . . . B 60 MET HE3 . 18111 1 1099 . 2 2 60 60 MET C C 13 175.305 0.5 . 1 . . . B 60 MET C . 18111 1 1100 . 2 2 60 60 MET CA C 13 53.849 0.5 . 1 . . . B 60 MET CA . 18111 1 1101 . 2 2 60 60 MET CB C 13 34.830 0.5 . 1 . . . B 60 MET CB . 18111 1 1102 . 2 2 60 60 MET CG C 13 32.197 0.5 . 1 . . . B 60 MET CG . 18111 1 1103 . 2 2 60 60 MET CE C 13 17.470 0.5 . 1 . . . B 60 MET CE . 18111 1 1104 . 2 2 60 60 MET N N 15 117.652 0.5 . 1 . . . B 60 MET N . 18111 1 1105 . 2 2 61 61 ILE H H 1 8.942 0.05 . 1 . . . B 61 ILE H . 18111 1 1106 . 2 2 61 61 ILE HA H 1 4.493 0.05 . 1 . . . B 61 ILE HA . 18111 1 1107 . 2 2 61 61 ILE HB H 1 1.478 0.05 . 1 . . . B 61 ILE HB . 18111 1 1108 . 2 2 61 61 ILE CA C 13 54.500 0.5 . 1 . . . B 61 ILE CA . 18111 1 1109 . 2 2 61 61 ILE CB C 13 32.420 0.5 . 1 . . . B 61 ILE CB . 18111 1 1110 . 2 2 61 61 ILE N N 15 118.458 0.5 . 1 . . . B 61 ILE N . 18111 1 1111 . 2 2 62 62 PRO HA H 1 4.326 0.05 . 1 . . . B 62 PRO HA . 18111 1 1112 . 2 2 62 62 PRO C C 13 178.789 0.5 . 1 . . . B 62 PRO C . 18111 1 1113 . 2 2 62 62 PRO CA C 13 63.351 0.5 . 1 . . . B 62 PRO CA . 18111 1 1114 . 2 2 63 63 LYS H H 1 8.629 0.05 . 1 . . . B 63 LYS H . 18111 1 1115 . 2 2 63 63 LYS HA H 1 3.794 0.05 . 1 . . . B 63 LYS HA . 18111 1 1116 . 2 2 63 63 LYS HB2 H 1 1.682 0.05 . 2 . . . B 63 LYS HB2 . 18111 1 1117 . 2 2 63 63 LYS HB3 H 1 1.681 0.05 . 2 . . . B 63 LYS HB3 . 18111 1 1118 . 2 2 63 63 LYS HG2 H 1 1.284 0.05 . 2 . . . B 63 LYS HG2 . 18111 1 1119 . 2 2 63 63 LYS HG3 H 1 1.309 0.05 . 2 . . . B 63 LYS HG3 . 18111 1 1120 . 2 2 63 63 LYS HD2 H 1 1.521 0.05 . 2 . . . B 63 LYS HD2 . 18111 1 1121 . 2 2 63 63 LYS HD3 H 1 1.521 0.05 . 2 . . . B 63 LYS HD3 . 18111 1 1122 . 2 2 63 63 LYS HE2 H 1 2.870 0.05 . 2 . . . B 63 LYS HE2 . 18111 1 1123 . 2 2 63 63 LYS HE3 H 1 2.870 0.05 . 2 . . . B 63 LYS HE3 . 18111 1 1124 . 2 2 63 63 LYS C C 13 175.284 0.5 . 1 . . . B 63 LYS C . 18111 1 1125 . 2 2 63 63 LYS CA C 13 58.928 0.5 . 1 . . . B 63 LYS CA . 18111 1 1126 . 2 2 63 63 LYS CB C 13 31.882 0.5 . 1 . . . B 63 LYS CB . 18111 1 1127 . 2 2 63 63 LYS CG C 13 25.595 0.5 . 1 . . . B 63 LYS CG . 18111 1 1128 . 2 2 63 63 LYS CD C 13 29.251 0.5 . 1 . . . B 63 LYS CD . 18111 1 1129 . 2 2 63 63 LYS CE C 13 41.515 0.5 . 1 . . . B 63 LYS CE . 18111 1 1130 . 2 2 63 63 LYS N N 15 122.363 0.5 . 1 . . . B 63 LYS N . 18111 1 1131 . 2 2 64 64 TRP H H 1 6.689 0.05 . 1 . . . B 64 TRP H . 18111 1 1132 . 2 2 64 64 TRP HA H 1 4.558 0.05 . 1 . . . B 64 TRP HA . 18111 1 1133 . 2 2 64 64 TRP HB2 H 1 3.181 0.05 . 2 . . . B 64 TRP HB2 . 18111 1 1134 . 2 2 64 64 TRP HB3 H 1 3.596 0.05 . 2 . . . B 64 TRP HB3 . 18111 1 1135 . 2 2 64 64 TRP HD1 H 1 7.363 0.05 . 1 . . . B 64 TRP HD1 . 18111 1 1136 . 2 2 64 64 TRP HE1 H 1 10.885 0.05 . 1 . . . B 64 TRP HE1 . 18111 1 1137 . 2 2 64 64 TRP HE3 H 1 7.490 0.05 . 1 . . . B 64 TRP HE3 . 18111 1 1138 . 2 2 64 64 TRP HZ2 H 1 7.485 0.05 . 1 . . . B 64 TRP HZ2 . 18111 1 1139 . 2 2 64 64 TRP HZ3 H 1 7.170 0.05 . 1 . . . B 64 TRP HZ3 . 18111 1 1140 . 2 2 64 64 TRP HH2 H 1 7.220 0.05 . 1 . . . B 64 TRP HH2 . 18111 1 1141 . 2 2 64 64 TRP C C 13 177.281 0.5 . 1 . . . B 64 TRP C . 18111 1 1142 . 2 2 64 64 TRP CA C 13 55.979 0.5 . 1 . . . B 64 TRP CA . 18111 1 1143 . 2 2 64 64 TRP CB C 13 28.524 0.5 . 1 . . . B 64 TRP CB . 18111 1 1144 . 2 2 64 64 TRP CD1 C 13 127.915 0.5 . 1 . . . B 64 TRP CD1 . 18111 1 1145 . 2 2 64 64 TRP CD2 C 13 127.915 0.5 . 1 . . . B 64 TRP CD2 . 18111 1 1146 . 2 2 64 64 TRP CE3 C 13 120.807 0.5 . 1 . . . B 64 TRP CE3 . 18111 1 1147 . 2 2 64 64 TRP CZ2 C 13 114.793 0.5 . 1 . . . B 64 TRP CZ2 . 18111 1 1148 . 2 2 64 64 TRP CZ3 C 13 122.994 0.5 . 1 . . . B 64 TRP CZ3 . 18111 1 1149 . 2 2 64 64 TRP CH2 C 13 125.181 0.5 . 1 . . . B 64 TRP CH2 . 18111 1 1150 . 2 2 64 64 TRP N N 15 110.966 0.5 . 1 . . . B 64 TRP N . 18111 1 1151 . 2 2 64 64 TRP NE1 N 15 132.770 0.5 . 1 . . . B 64 TRP NE1 . 18111 1 1152 . 2 2 65 65 ARG H H 1 6.450 0.05 . 1 . . . B 65 ARG H . 18111 1 1153 . 2 2 65 65 ARG HA H 1 4.172 0.05 . 1 . . . B 65 ARG HA . 18111 1 1154 . 2 2 65 65 ARG HB2 H 1 1.342 0.05 . 2 . . . B 65 ARG HB2 . 18111 1 1155 . 2 2 65 65 ARG HB3 H 1 1.342 0.05 . 2 . . . B 65 ARG HB3 . 18111 1 1156 . 2 2 65 65 ARG HG2 H 1 0.303 0.05 . 2 . . . B 65 ARG HG2 . 18111 1 1157 . 2 2 65 65 ARG HG3 H 1 1.536 0.05 . 2 . . . B 65 ARG HG3 . 18111 1 1158 . 2 2 65 65 ARG C C 13 176.059 0.5 . 1 . . . B 65 ARG C . 18111 1 1159 . 2 2 65 65 ARG CA C 13 55.324 0.5 . 1 . . . B 65 ARG CA . 18111 1 1160 . 2 2 65 65 ARG CB C 13 28.520 0.5 . 1 . . . B 65 ARG CB . 18111 1 1161 . 2 2 65 65 ARG CG C 13 31.120 0.5 . 1 . . . B 65 ARG CG . 18111 1 1162 . 2 2 65 65 ARG N N 15 120.429 0.5 . 1 . . . B 65 ARG N . 18111 1 1163 . 2 2 66 66 GLN H H 1 9.430 0.05 . 1 . . . B 66 GLN H . 18111 1 1164 . 2 2 66 66 GLN HA H 1 4.285 0.05 . 1 . . . B 66 GLN HA . 18111 1 1165 . 2 2 66 66 GLN HB2 H 1 2.115 0.05 . 2 . . . B 66 GLN HB2 . 18111 1 1166 . 2 2 66 66 GLN HB3 H 1 2.115 0.05 . 2 . . . B 66 GLN HB3 . 18111 1 1167 . 2 2 66 66 GLN HG2 H 1 2.446 0.05 . 2 . . . B 66 GLN HG2 . 18111 1 1168 . 2 2 66 66 GLN HG3 H 1 2.446 0.05 . 2 . . . B 66 GLN HG3 . 18111 1 1169 . 2 2 66 66 GLN C C 13 176.283 0.5 . 1 . . . B 66 GLN C . 18111 1 1170 . 2 2 66 66 GLN CA C 13 55.651 0.5 . 1 . . . B 66 GLN CA . 18111 1 1171 . 2 2 66 66 GLN CB C 13 28.933 0.5 . 1 . . . B 66 GLN CB . 18111 1 1172 . 2 2 66 66 GLN CG C 13 33.818 0.5 . 1 . . . B 66 GLN CG . 18111 1 1173 . 2 2 66 66 GLN N N 15 125.132 0.5 . 1 . . . B 66 GLN N . 18111 1 1174 . 2 2 67 67 LEU H H 1 8.971 0.05 . 1 . . . B 67 LEU H . 18111 1 1175 . 2 2 67 67 LEU HA H 1 4.973 0.05 . 1 . . . B 67 LEU HA . 18111 1 1176 . 2 2 67 67 LEU HB2 H 1 1.455 0.05 . 2 . . . B 67 LEU HB2 . 18111 1 1177 . 2 2 67 67 LEU HB3 H 1 1.908 0.05 . 2 . . . B 67 LEU HB3 . 18111 1 1178 . 2 2 67 67 LEU HG H 1 1.668 0.05 . 1 . . . B 67 LEU HG . 18111 1 1179 . 2 2 67 67 LEU HD11 H 1 0.719 0.05 . 2 . . . B 67 LEU HD11 . 18111 1 1180 . 2 2 67 67 LEU HD12 H 1 0.719 0.05 . 2 . . . B 67 LEU HD12 . 18111 1 1181 . 2 2 67 67 LEU HD13 H 1 0.719 0.05 . 2 . . . B 67 LEU HD13 . 18111 1 1182 . 2 2 67 67 LEU HD21 H 1 0.678 0.05 . 2 . . . B 67 LEU HD21 . 18111 1 1183 . 2 2 67 67 LEU HD22 H 1 0.678 0.05 . 2 . . . B 67 LEU HD22 . 18111 1 1184 . 2 2 67 67 LEU HD23 H 1 0.678 0.05 . 2 . . . B 67 LEU HD23 . 18111 1 1185 . 2 2 67 67 LEU C C 13 177.179 0.5 . 1 . . . B 67 LEU C . 18111 1 1186 . 2 2 67 67 LEU CA C 13 53.686 0.5 . 1 . . . B 67 LEU CA . 18111 1 1187 . 2 2 67 67 LEU CB C 13 43.939 0.5 . 1 . . . B 67 LEU CB . 18111 1 1188 . 2 2 67 67 LEU CG C 13 27.057 0.5 . 1 . . . B 67 LEU CG . 18111 1 1189 . 2 2 67 67 LEU CD1 C 13 25.808 0.5 . 1 . . . B 67 LEU CD1 . 18111 1 1190 . 2 2 67 67 LEU CD2 C 13 22.804 0.5 . 1 . . . B 67 LEU CD2 . 18111 1 1191 . 2 2 67 67 LEU N N 15 127.081 0.5 . 1 . . . B 67 LEU N . 18111 1 1192 . 2 2 68 68 ASN H H 1 8.898 0.05 . 1 . . . B 68 ASN H . 18111 1 1193 . 2 2 68 68 ASN HA H 1 4.775 0.05 . 1 . . . B 68 ASN HA . 18111 1 1194 . 2 2 68 68 ASN HB2 H 1 2.483 0.05 . 2 . . . B 68 ASN HB2 . 18111 1 1195 . 2 2 68 68 ASN HB3 H 1 3.021 0.05 . 2 . . . B 68 ASN HB3 . 18111 1 1196 . 2 2 68 68 ASN C C 13 174.265 0.5 . 1 . . . B 68 ASN C . 18111 1 1197 . 2 2 68 68 ASN CA C 13 52.950 0.5 . 1 . . . B 68 ASN CA . 18111 1 1198 . 2 2 68 68 ASN CB C 13 39.499 0.5 . 1 . . . B 68 ASN CB . 18111 1 1199 . 2 2 68 68 ASN N N 15 118.458 0.5 . 1 . . . B 68 ASN N . 18111 1 1200 . 2 2 69 69 VAL H H 1 6.792 0.05 . 1 . . . B 69 VAL H . 18111 1 1201 . 2 2 69 69 VAL HA H 1 4.813 0.05 . 1 . . . B 69 VAL HA . 18111 1 1202 . 2 2 69 69 VAL HB H 1 2.030 0.05 . 1 . . . B 69 VAL HB . 18111 1 1203 . 2 2 69 69 VAL HG11 H 1 0.846 0.05 . 2 . . . B 69 VAL HG11 . 18111 1 1204 . 2 2 69 69 VAL HG12 H 1 0.846 0.05 . 2 . . . B 69 VAL HG12 . 18111 1 1205 . 2 2 69 69 VAL HG13 H 1 0.846 0.05 . 2 . . . B 69 VAL HG13 . 18111 1 1206 . 2 2 69 69 VAL HG21 H 1 0.802 0.05 . 2 . . . B 69 VAL HG21 . 18111 1 1207 . 2 2 69 69 VAL HG22 H 1 0.802 0.05 . 2 . . . B 69 VAL HG22 . 18111 1 1208 . 2 2 69 69 VAL HG23 H 1 0.802 0.05 . 2 . . . B 69 VAL HG23 . 18111 1 1209 . 2 2 69 69 VAL C C 13 173.389 0.5 . 1 . . . B 69 VAL C . 18111 1 1210 . 2 2 69 69 VAL CA C 13 58.272 0.5 . 1 . . . B 69 VAL CA . 18111 1 1211 . 2 2 69 69 VAL CB C 13 34.912 0.5 . 1 . . . B 69 VAL CB . 18111 1 1212 . 2 2 69 69 VAL CG1 C 13 21.939 0.5 . 1 . . . B 69 VAL CG1 . 18111 1 1213 . 2 2 69 69 VAL CG2 C 13 18.923 0.5 . 1 . . . B 69 VAL CG2 . 18111 1 1214 . 2 2 69 69 VAL N N 15 109.381 0.5 . 1 . . . B 69 VAL N . 18111 1 1215 . 2 2 70 70 PHE H H 1 8.261 0.05 . 1 . . . B 70 PHE H . 18111 1 1216 . 2 2 70 70 PHE HA H 1 4.898 0.05 . 1 . . . B 70 PHE HA . 18111 1 1217 . 2 2 70 70 PHE HB2 H 1 2.908 0.05 . 2 . . . B 70 PHE HB2 . 18111 1 1218 . 2 2 70 70 PHE HB3 H 1 3.228 0.05 . 2 . . . B 70 PHE HB3 . 18111 1 1219 . 2 2 70 70 PHE HD1 H 1 7.370 0.05 . 3 . . . B 70 PHE HD1 . 18111 1 1220 . 2 2 70 70 PHE HD2 H 1 7.370 0.05 . 3 . . . B 70 PHE HD2 . 18111 1 1221 . 2 2 70 70 PHE HZ H 1 7.356 0.05 . 1 . . . B 70 PHE HZ . 18111 1 1222 . 2 2 70 70 PHE C C 13 174.591 0.5 . 1 . . . B 70 PHE C . 18111 1 1223 . 2 2 70 70 PHE CA C 13 55.569 0.5 . 1 . . . B 70 PHE CA . 18111 1 1224 . 2 2 70 70 PHE CB C 13 41.727 0.5 . 1 . . . B 70 PHE CB . 18111 1 1225 . 2 2 70 70 PHE CD1 C 13 132.289 0.5 . 3 . . . B 70 PHE CD1 . 18111 1 1226 . 2 2 70 70 PHE CD2 C 13 132.289 0.5 . 3 . . . B 70 PHE CD2 . 18111 1 1227 . 2 2 70 70 PHE CZ C 13 127.915 0.5 . 1 . . . B 70 PHE CZ . 18111 1 1228 . 2 2 70 70 PHE N N 15 118.947 0.5 . 1 . . . B 70 PHE N . 18111 1 1229 . 2 2 71 71 GLU H H 1 8.706 0.05 . 1 . . . B 71 GLU H . 18111 1 1230 . 2 2 71 71 GLU HA H 1 3.775 0.05 . 1 . . . B 71 GLU HA . 18111 1 1231 . 2 2 71 71 GLU HB2 H 1 2.096 0.05 . 2 . . . B 71 GLU HB2 . 18111 1 1232 . 2 2 71 71 GLU HB3 H 1 2.162 0.05 . 2 . . . B 71 GLU HB3 . 18111 1 1233 . 2 2 71 71 GLU C C 13 177.200 0.5 . 1 . . . B 71 GLU C . 18111 1 1234 . 2 2 71 71 GLU CA C 13 58.424 0.5 . 1 . . . B 71 GLU CA . 18111 1 1235 . 2 2 71 71 GLU CB C 13 29.752 0.5 . 1 . . . B 71 GLU CB . 18111 1 1236 . 2 2 71 71 GLU N N 15 119.246 0.5 . 1 . . . B 71 GLU N . 18111 1 1237 . 2 2 72 72 GLY H H 1 9.345 0.05 . 1 . . . B 72 GLY H . 18111 1 1238 . 2 2 72 72 GLY HA2 H 1 3.577 0.05 . 2 . . . B 72 GLY HA2 . 18111 1 1239 . 2 2 72 72 GLY HA3 H 1 4.426 0.05 . 2 . . . B 72 GLY HA3 . 18111 1 1240 . 2 2 72 72 GLY C C 13 174.204 0.5 . 1 . . . B 72 GLY C . 18111 1 1241 . 2 2 72 72 GLY CA C 13 44.922 0.5 . 1 . . . B 72 GLY CA . 18111 1 1242 . 2 2 72 72 GLY N N 15 114.762 0.5 . 1 . . . B 72 GLY N . 18111 1 1243 . 2 2 73 73 GLU H H 1 7.866 0.05 . 1 . . . B 73 GLU H . 18111 1 1244 . 2 2 73 73 GLU HA H 1 4.190 0.05 . 1 . . . B 73 GLU HA . 18111 1 1245 . 2 2 73 73 GLU HB2 H 1 1.804 0.05 . 2 . . . B 73 GLU HB2 . 18111 1 1246 . 2 2 73 73 GLU HB3 H 1 1.889 0.05 . 2 . . . B 73 GLU HB3 . 18111 1 1247 . 2 2 73 73 GLU HG2 H 1 2.251 0.05 . 2 . . . B 73 GLU HG2 . 18111 1 1248 . 2 2 73 73 GLU HG3 H 1 2.360 0.05 . 2 . . . B 73 GLU HG3 . 18111 1 1249 . 2 2 73 73 GLU C C 13 174.836 0.5 . 1 . . . B 73 GLU C . 18111 1 1250 . 2 2 73 73 GLU CA C 13 56.880 0.5 . 1 . . . B 73 GLU CA . 18111 1 1251 . 2 2 73 73 GLU CB C 13 30.899 0.5 . 1 . . . B 73 GLU CB . 18111 1 1252 . 2 2 73 73 GLU CG C 13 37.004 0.5 . 1 . . . B 73 GLU CG . 18111 1 1253 . 2 2 73 73 GLU N N 15 121.519 0.5 . 1 . . . B 73 GLU N . 18111 1 1254 . 2 2 74 74 ARG H H 1 8.446 0.05 . 1 . . . B 74 ARG H . 18111 1 1255 . 2 2 74 74 ARG HA H 1 4.870 0.05 . 1 . . . B 74 ARG HA . 18111 1 1256 . 2 2 74 74 ARG HB2 H 1 1.634 0.05 . 2 . . . B 74 ARG HB2 . 18111 1 1257 . 2 2 74 74 ARG HB3 H 1 1.832 0.05 . 2 . . . B 74 ARG HB3 . 18111 1 1258 . 2 2 74 74 ARG HG2 H 1 1.482 0.05 . 2 . . . B 74 ARG HG2 . 18111 1 1259 . 2 2 74 74 ARG HG3 H 1 1.482 0.05 . 2 . . . B 74 ARG HG3 . 18111 1 1260 . 2 2 74 74 ARG HD2 H 1 3.111 0.05 . 2 . . . B 74 ARG HD2 . 18111 1 1261 . 2 2 74 74 ARG HD3 H 1 3.186 0.05 . 2 . . . B 74 ARG HD3 . 18111 1 1262 . 2 2 74 74 ARG C C 13 176.222 0.5 . 1 . . . B 74 ARG C . 18111 1 1263 . 2 2 74 74 ARG CA C 13 55.488 0.5 . 1 . . . B 74 ARG CA . 18111 1 1264 . 2 2 74 74 ARG CB C 13 31.145 0.5 . 1 . . . B 74 ARG CB . 18111 1 1265 . 2 2 74 74 ARG CG C 13 27.811 0.5 . 1 . . . B 74 ARG CG . 18111 1 1266 . 2 2 74 74 ARG CD C 13 43.393 0.5 . 1 . . . B 74 ARG CD . 18111 1 1267 . 2 2 74 74 ARG N N 15 122.680 0.5 . 1 . . . B 74 ARG N . 18111 1 1268 . 2 2 75 75 VAL H H 1 9.151 0.05 . 1 . . . B 75 VAL H . 18111 1 1269 . 2 2 75 75 VAL HA H 1 4.738 0.05 . 1 . . . B 75 VAL HA . 18111 1 1270 . 2 2 75 75 VAL HB H 1 2.078 0.05 . 1 . . . B 75 VAL HB . 18111 1 1271 . 2 2 75 75 VAL HG11 H 1 0.850 0.05 . 2 . . . B 75 VAL HG11 . 18111 1 1272 . 2 2 75 75 VAL HG12 H 1 0.850 0.05 . 2 . . . B 75 VAL HG12 . 18111 1 1273 . 2 2 75 75 VAL HG13 H 1 0.850 0.05 . 2 . . . B 75 VAL HG13 . 18111 1 1274 . 2 2 75 75 VAL HG21 H 1 0.800 0.05 . 2 . . . B 75 VAL HG21 . 18111 1 1275 . 2 2 75 75 VAL HG22 H 1 0.800 0.05 . 2 . . . B 75 VAL HG22 . 18111 1 1276 . 2 2 75 75 VAL HG23 H 1 0.800 0.05 . 2 . . . B 75 VAL HG23 . 18111 1 1277 . 2 2 75 75 VAL C C 13 174.877 0.5 . 1 . . . B 75 VAL C . 18111 1 1278 . 2 2 75 75 VAL CA C 13 58.846 0.5 . 1 . . . B 75 VAL CA . 18111 1 1279 . 2 2 75 75 VAL CB C 13 35.076 0.5 . 1 . . . B 75 VAL CB . 18111 1 1280 . 2 2 75 75 VAL CG1 C 13 21.847 0.5 . 1 . . . B 75 VAL CG1 . 18111 1 1281 . 2 2 75 75 VAL CG2 C 13 19.014 0.5 . 1 . . . B 75 VAL CG2 . 18111 1 1282 . 2 2 75 75 VAL N N 15 118.810 0.5 . 1 . . . B 75 VAL N . 18111 1 1283 . 2 2 76 76 GLU H H 1 8.787 0.05 . 1 . . . B 76 GLU H . 18111 1 1284 . 2 2 76 76 GLU HA H 1 4.615 0.05 . 1 . . . B 76 GLU HA . 18111 1 1285 . 2 2 76 76 GLU HB2 H 1 1.729 0.05 . 2 . . . B 76 GLU HB2 . 18111 1 1286 . 2 2 76 76 GLU HB3 H 1 1.927 0.05 . 2 . . . B 76 GLU HB3 . 18111 1 1287 . 2 2 76 76 GLU HG2 H 1 2.222 0.05 . 2 . . . B 76 GLU HG2 . 18111 1 1288 . 2 2 76 76 GLU HG3 H 1 2.357 0.05 . 2 . . . B 76 GLU HG3 . 18111 1 1289 . 2 2 76 76 GLU C C 13 175.631 0.5 . 1 . . . B 76 GLU C . 18111 1 1290 . 2 2 76 76 GLU CA C 13 53.112 0.5 . 1 . . . B 76 GLU CA . 18111 1 1291 . 2 2 76 76 GLU CB C 13 31.390 0.5 . 1 . . . B 76 GLU CB . 18111 1 1292 . 2 2 76 76 GLU CG C 13 35.639 0.5 . 1 . . . B 76 GLU CG . 18111 1 1293 . 2 2 76 76 GLU N N 15 123.487 0.5 . 1 . . . B 76 GLU N . 18111 1 1294 . 2 2 77 77 ARG H H 1 8.160 0.05 . 1 . . . B 77 ARG H . 18111 1 1295 . 2 2 77 77 ARG HA H 1 3.351 0.05 . 1 . . . B 77 ARG HA . 18111 1 1296 . 2 2 77 77 ARG HB2 H 1 1.361 0.05 . 2 . . . B 77 ARG HB2 . 18111 1 1297 . 2 2 77 77 ARG HB3 H 1 1.566 0.05 . 2 . . . B 77 ARG HB3 . 18111 1 1298 . 2 2 77 77 ARG HG2 H 1 1.252 0.05 . 2 . . . B 77 ARG HG2 . 18111 1 1299 . 2 2 77 77 ARG HG3 H 1 1.445 0.05 . 2 . . . B 77 ARG HG3 . 18111 1 1300 . 2 2 77 77 ARG HD2 H 1 3.083 0.05 . 2 . . . B 77 ARG HD2 . 18111 1 1301 . 2 2 77 77 ARG HD3 H 1 3.217 0.05 . 2 . . . B 77 ARG HD3 . 18111 1 1302 . 2 2 77 77 ARG C C 13 177.220 0.5 . 1 . . . B 77 ARG C . 18111 1 1303 . 2 2 77 77 ARG CA C 13 57.693 0.5 . 1 . . . B 77 ARG CA . 18111 1 1304 . 2 2 77 77 ARG CB C 13 29.342 0.5 . 1 . . . B 77 ARG CB . 18111 1 1305 . 2 2 77 77 ARG CG C 13 26.627 0.5 . 1 . . . B 77 ARG CG . 18111 1 1306 . 2 2 77 77 ARG CD C 13 43.211 0.5 . 1 . . . B 77 ARG CD . 18111 1 1307 . 2 2 77 77 ARG N N 15 122.407 0.5 . 1 . . . B 77 ARG N . 18111 1 1308 . 2 2 78 78 GLY H H 1 9.194 0.05 . 1 . . . B 78 GLY H . 18111 1 1309 . 2 2 78 78 GLY HA2 H 1 3.436 0.05 . 2 . . . B 78 GLY HA2 . 18111 1 1310 . 2 2 78 78 GLY HA3 H 1 4.398 0.05 . 2 . . . B 78 GLY HA3 . 18111 1 1311 . 2 2 78 78 GLY C C 13 173.715 0.5 . 1 . . . B 78 GLY C . 18111 1 1312 . 2 2 78 78 GLY CA C 13 44.840 0.5 . 1 . . . B 78 GLY CA . 18111 1 1313 . 2 2 78 78 GLY N N 15 116.273 0.5 . 1 . . . B 78 GLY N . 18111 1 1314 . 2 2 79 79 ASP H H 1 8.400 0.05 . 1 . . . B 79 ASP H . 18111 1 1315 . 2 2 79 79 ASP HA H 1 4.540 0.05 . 1 . . . B 79 ASP HA . 18111 1 1316 . 2 2 79 79 ASP HB2 H 1 2.634 0.05 . 2 . . . B 79 ASP HB2 . 18111 1 1317 . 2 2 79 79 ASP HB3 H 1 2.634 0.05 . 2 . . . B 79 ASP HB3 . 18111 1 1318 . 2 2 79 79 ASP C C 13 176.099 0.5 . 1 . . . B 79 ASP C . 18111 1 1319 . 2 2 79 79 ASP CA C 13 54.669 0.5 . 1 . . . B 79 ASP CA . 18111 1 1320 . 2 2 79 79 ASP CB C 13 40.826 0.5 . 1 . . . B 79 ASP CB . 18111 1 1321 . 2 2 79 79 ASP N N 15 121.442 0.5 . 1 . . . B 79 ASP N . 18111 1 1322 . 2 2 80 80 VAL H H 1 8.658 0.05 . 1 . . . B 80 VAL H . 18111 1 1323 . 2 2 80 80 VAL HA H 1 3.800 0.05 . 1 . . . B 80 VAL HA . 18111 1 1324 . 2 2 80 80 VAL HB H 1 1.974 0.05 . 1 . . . B 80 VAL HB . 18111 1 1325 . 2 2 80 80 VAL HG11 H 1 0.948 0.05 . 2 . . . B 80 VAL HG11 . 18111 1 1326 . 2 2 80 80 VAL HG12 H 1 0.948 0.05 . 2 . . . B 80 VAL HG12 . 18111 1 1327 . 2 2 80 80 VAL HG13 H 1 0.948 0.05 . 2 . . . B 80 VAL HG13 . 18111 1 1328 . 2 2 80 80 VAL HG21 H 1 0.752 0.05 . 2 . . . B 80 VAL HG21 . 18111 1 1329 . 2 2 80 80 VAL HG22 H 1 0.752 0.05 . 2 . . . B 80 VAL HG22 . 18111 1 1330 . 2 2 80 80 VAL HG23 H 1 0.752 0.05 . 2 . . . B 80 VAL HG23 . 18111 1 1331 . 2 2 80 80 VAL C C 13 175.957 0.5 . 1 . . . B 80 VAL C . 18111 1 1332 . 2 2 80 80 VAL CA C 13 64.255 0.5 . 1 . . . B 80 VAL CA . 18111 1 1333 . 2 2 80 80 VAL CB C 13 31.533 0.5 . 1 . . . B 80 VAL CB . 18111 1 1334 . 2 2 80 80 VAL CG1 C 13 21.547 0.5 . 1 . . . B 80 VAL CG1 . 18111 1 1335 . 2 2 80 80 VAL CG2 C 13 21.547 0.5 . 1 . . . B 80 VAL CG2 . 18111 1 1336 . 2 2 80 80 VAL N N 15 120.501 0.5 . 1 . . . B 80 VAL N . 18111 1 1337 . 2 2 81 81 ILE H H 1 8.905 0.05 . 1 . . . B 81 ILE H . 18111 1 1338 . 2 2 81 81 ILE HA H 1 4.228 0.05 . 1 . . . B 81 ILE HA . 18111 1 1339 . 2 2 81 81 ILE HB H 1 1.695 0.05 . 1 . . . B 81 ILE HB . 18111 1 1340 . 2 2 81 81 ILE HG12 H 1 1.181 0.05 . 1 . . . B 81 ILE HG12 . 18111 1 1341 . 2 2 81 81 ILE HG13 H 1 1.354 0.05 . 1 . . . B 81 ILE HG13 . 18111 1 1342 . 2 2 81 81 ILE HG21 H 1 0.803 0.05 . 1 . . . B 81 ILE HG21 . 18111 1 1343 . 2 2 81 81 ILE HG22 H 1 0.803 0.05 . 1 . . . B 81 ILE HG22 . 18111 1 1344 . 2 2 81 81 ILE HG23 H 1 0.803 0.05 . 1 . . . B 81 ILE HG23 . 18111 1 1345 . 2 2 81 81 ILE HD11 H 1 0.724 0.05 . 1 . . . B 81 ILE HD11 . 18111 1 1346 . 2 2 81 81 ILE HD12 H 1 0.724 0.05 . 1 . . . B 81 ILE HD12 . 18111 1 1347 . 2 2 81 81 ILE HD13 H 1 0.724 0.05 . 1 . . . B 81 ILE HD13 . 18111 1 1348 . 2 2 81 81 ILE C C 13 175.957 0.5 . 1 . . . B 81 ILE C . 18111 1 1349 . 2 2 81 81 ILE CA C 13 61.785 0.5 . 1 . . . B 81 ILE CA . 18111 1 1350 . 2 2 81 81 ILE CB C 13 37.30 0.5 . 1 . . . B 81 ILE CB . 18111 1 1351 . 2 2 81 81 ILE CG1 C 13 26.917 0.5 . 1 . . . B 81 ILE CG1 . 18111 1 1352 . 2 2 81 81 ILE CG2 C 13 17.086 0.5 . 1 . . . B 81 ILE CG2 . 18111 1 1353 . 2 2 81 81 ILE CD1 C 13 11.989 0.5 . 1 . . . B 81 ILE CD1 . 18111 1 1354 . 2 2 81 81 ILE N N 15 128.523 0.5 . 1 . . . B 81 ILE N . 18111 1 1355 . 2 2 82 82 SER H H 1 7.671 0.05 . 1 . . . B 82 SER H . 18111 1 1356 . 2 2 82 82 SER HA H 1 4.851 0.05 . 1 . . . B 82 SER HA . 18111 1 1357 . 2 2 82 82 SER HB2 H 1 3.332 0.05 . 2 . . . B 82 SER HB2 . 18111 1 1358 . 2 2 82 82 SER HB3 H 1 3.804 0.05 . 2 . . . B 82 SER HB3 . 18111 1 1359 . 2 2 82 82 SER C C 13 173.959 0.5 . 1 . . . B 82 SER C . 18111 1 1360 . 2 2 82 82 SER CA C 13 57.289 0.5 . 1 . . . B 82 SER CA . 18111 1 1361 . 2 2 82 82 SER CB C 13 64.825 0.5 . 1 . . . B 82 SER CB . 18111 1 1362 . 2 2 82 82 SER N N 15 112.225 0.5 . 1 . . . B 82 SER N . 18111 1 1363 . 2 2 83 83 ASP H H 1 9.076 0.05 . 1 . . . B 83 ASP H . 18111 1 1364 . 2 2 83 83 ASP HA H 1 4.521 0.05 . 1 . . . B 83 ASP HA . 18111 1 1365 . 2 2 83 83 ASP HB2 H 1 2.634 0.05 . 2 . . . B 83 ASP HB2 . 18111 1 1366 . 2 2 83 83 ASP HB3 H 1 2.681 0.05 . 2 . . . B 83 ASP HB3 . 18111 1 1367 . 2 2 83 83 ASP C C 13 175.427 0.5 . 1 . . . B 83 ASP C . 18111 1 1368 . 2 2 83 83 ASP CA C 13 55.078 0.5 . 1 . . . B 83 ASP CA . 18111 1 1369 . 2 2 83 83 ASP CB C 13 41.727 0.5 . 1 . . . B 83 ASP CB . 18111 1 1370 . 2 2 83 83 ASP N N 15 129.556 0.5 . 1 . . . B 83 ASP N . 18111 1 1371 . 2 2 84 84 GLY H H 1 7.832 0.05 . 1 . . . B 84 GLY H . 18111 1 1372 . 2 2 84 84 GLY C C 13 177.771 0.5 . 1 . . . B 84 GLY C . 18111 1 1373 . 2 2 84 84 GLY CA C 13 46.806 0.5 . 1 . . . B 84 GLY CA . 18111 1 1374 . 2 2 84 84 GLY N N 15 113.648 0.5 . 1 . . . B 84 GLY N . 18111 1 stop_ save_