data_18443 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18443 _Entry.Title ; Solution structure of a thioredoxin from Thermus thermophilus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-05-04 _Entry.Accession_date 2012-05-04 _Entry.Last_release_date 2012-06-05 _Entry.Original_release_date 2012-06-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 R. Harris . . . 18443 2 A. Bandaranayake . D. . 18443 3 R. Banu . . . 18443 4 J. Bonanno . B. . 18443 5 D. Calarese . A. . 18443 6 A. Celikgil . . . 18443 7 S. Chamala . . . 18443 8 M. Chan . K. . 18443 9 R. Chaparro . . . 18443 10 B. Evans . . . 18443 11 S. Garforth . . . 18443 12 A. Gizzi . . . 18443 13 B. Hillerich . . . 18443 14 A. Kar . . . 18443 15 J. Lafleur . . . 18443 16 S. Lim . . . 18443 17 J. Love . . . 18443 18 B. Matikainen . . . 18443 19 H. Patel . . . 18443 20 R. Seidel . D. . 18443 21 B. Smith . . . 18443 22 M. Stead . . . 18443 23 M. Girvin . E. . 18443 24 S. Almo . C. . 18443 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 'PSI, Protein Structure Initiative' 'New York Structural Genomics Research Consortium' . 18443 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'New York Structural Genomics Research Consortium' . 18443 'STRUCTURAL GENOMICS' . 18443 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18443 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 547 18443 '15N chemical shifts' 121 18443 '1H chemical shifts' 848 18443 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 . . 2012-06-05 2012-05-04 original author . 18443 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LST 'BMRB Entry Tracking System' 18443 TargetDB NYSGRC-011484 . 18443 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18443 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of a thioredoxin from Thermus thermophilus' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 R. Harris . . . 18443 1 2 A. Bandaranayake . D. . 18443 1 3 R. Banu . . . 18443 1 4 J. Bonanno . B. . 18443 1 5 D. Calarese . A. . 18443 1 6 A. Celikgil . . . 18443 1 7 S. Chamala . . . 18443 1 8 M. Chan . K. . 18443 1 9 R. Chaparro . . . 18443 1 10 B. Evans . . . 18443 1 11 S. Garforth . . . 18443 1 12 A. Gizzi . . . 18443 1 13 B. Hillerich . . . 18443 1 14 A. Kar . . . 18443 1 15 J. Lafleur . . . 18443 1 16 S. Lim . . . 18443 1 17 J. Love . . . 18443 1 18 B. Matikainen . . . 18443 1 19 H. Patel . . . 18443 1 20 R. Seidel . D. . 18443 1 21 B. Smith . . . 18443 1 22 M. Stead . . . 18443 1 23 M. Girvin . E. . 18443 1 24 S. Almo . C. . 18443 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18443 _Assembly.ID 1 _Assembly.Name thioredoxin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 thioredoxin 1 $thioredoxin A . yes native no no . . . 18443 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_thioredoxin _Entity.Sf_category entity _Entity.Sf_framecode thioredoxin _Entity.Entry_ID 18443 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name thioredoxin _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 ; MSLRWYPYPEALALAQAHGR MVMVYFHSEHCPYCQQMNTF VLSDPGVSRLLEARFVVASV SVDTPEGQELARRYRVPGTP TFVFLVPKAGAWEEVGRLFG SRPRAEFLKELRQVCVKGGA CGEGHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; expressed sequence start-stop 35-153 (130 aa incl tag) N-term cloning artifact: MSL C-term cloning artifact: EGHHHHHH ; _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 130 _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 14740.037 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LST . "Solution Structure Of A Thioredoxin From Thermus Thermophilus" . . . . . 100.00 130 100.00 100.00 8.10e-90 . . . . 18443 1 2 no DBJ BAD71245 . "thioredoxin [Thermus thermophilus HB8]" . . . . . 91.54 153 98.32 98.32 1.08e-79 . . . . 18443 1 3 no GB AAS81399 . "thioredoxin [Thermus thermophilus HB27]" . . . . . 91.54 153 100.00 100.00 6.01e-81 . . . . 18443 1 4 no GB AEG33835 . "thioredoxin [Thermus thermophilus SG0.5JP17-16]" . . . . . 91.54 153 97.48 98.32 4.18e-79 . . . . 18443 1 5 no GB AFH38530 . "thioredoxin-related protein [Thermus thermophilus JL-18]" . . . . . 91.54 153 99.16 99.16 2.56e-80 . . . . 18443 1 6 no REF WP_011228670 . "thioredoxin [Thermus thermophilus]" . . . . . 91.54 153 98.32 98.32 1.08e-79 . . . . 18443 1 7 no REF WP_024119461 . "thioredoxin [Thermus thermophilus]" . . . . . 91.54 142 99.16 99.16 2.86e-80 . . . . 18443 1 8 no REF WP_041443497 . "thioredoxin [Thermus thermophilus]" . . . . . 91.54 142 100.00 100.00 7.73e-81 . . . . 18443 1 9 no REF WP_041445022 . "thioredoxin [Thermus thermophilus]" . . . . . 91.54 142 97.48 98.32 5.63e-79 . . . . 18443 1 10 no REF YP_144688 . "thioredoxin [Thermus thermophilus HB8]" . . . . . 91.54 153 98.32 98.32 1.08e-79 . . . . 18443 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18443 1 2 . SER . 18443 1 3 . LEU . 18443 1 4 . ARG . 18443 1 5 . TRP . 18443 1 6 . TYR . 18443 1 7 . PRO . 18443 1 8 . TYR . 18443 1 9 . PRO . 18443 1 10 . GLU . 18443 1 11 . ALA . 18443 1 12 . LEU . 18443 1 13 . ALA . 18443 1 14 . LEU . 18443 1 15 . ALA . 18443 1 16 . GLN . 18443 1 17 . ALA . 18443 1 18 . HIS . 18443 1 19 . GLY . 18443 1 20 . ARG . 18443 1 21 . MET . 18443 1 22 . VAL . 18443 1 23 . MET . 18443 1 24 . VAL . 18443 1 25 . TYR . 18443 1 26 . PHE . 18443 1 27 . HIS . 18443 1 28 . SER . 18443 1 29 . GLU . 18443 1 30 . HIS . 18443 1 31 . CYS . 18443 1 32 . PRO . 18443 1 33 . TYR . 18443 1 34 . CYS . 18443 1 35 . GLN . 18443 1 36 . GLN . 18443 1 37 . MET . 18443 1 38 . ASN . 18443 1 39 . THR . 18443 1 40 . PHE . 18443 1 41 . VAL . 18443 1 42 . LEU . 18443 1 43 . SER . 18443 1 44 . ASP . 18443 1 45 . PRO . 18443 1 46 . GLY . 18443 1 47 . VAL . 18443 1 48 . SER . 18443 1 49 . ARG . 18443 1 50 . LEU . 18443 1 51 . LEU . 18443 1 52 . GLU . 18443 1 53 . ALA . 18443 1 54 . ARG . 18443 1 55 . PHE . 18443 1 56 . VAL . 18443 1 57 . VAL . 18443 1 58 . ALA . 18443 1 59 . SER . 18443 1 60 . VAL . 18443 1 61 . SER . 18443 1 62 . VAL . 18443 1 63 . ASP . 18443 1 64 . THR . 18443 1 65 . PRO . 18443 1 66 . GLU . 18443 1 67 . GLY . 18443 1 68 . GLN . 18443 1 69 . GLU . 18443 1 70 . LEU . 18443 1 71 . ALA . 18443 1 72 . ARG . 18443 1 73 . ARG . 18443 1 74 . TYR . 18443 1 75 . ARG . 18443 1 76 . VAL . 18443 1 77 . PRO . 18443 1 78 . GLY . 18443 1 79 . THR . 18443 1 80 . PRO . 18443 1 81 . THR . 18443 1 82 . PHE . 18443 1 83 . VAL . 18443 1 84 . PHE . 18443 1 85 . LEU . 18443 1 86 . VAL . 18443 1 87 . PRO . 18443 1 88 . LYS . 18443 1 89 . ALA . 18443 1 90 . GLY . 18443 1 91 . ALA . 18443 1 92 . TRP . 18443 1 93 . GLU . 18443 1 94 . GLU . 18443 1 95 . VAL . 18443 1 96 . GLY . 18443 1 97 . ARG . 18443 1 98 . LEU . 18443 1 99 . PHE . 18443 1 100 . GLY . 18443 1 101 . SER . 18443 1 102 . ARG . 18443 1 103 . PRO . 18443 1 104 . ARG . 18443 1 105 . ALA . 18443 1 106 . GLU . 18443 1 107 . PHE . 18443 1 108 . LEU . 18443 1 109 . LYS . 18443 1 110 . GLU . 18443 1 111 . LEU . 18443 1 112 . ARG . 18443 1 113 . GLN . 18443 1 114 . VAL . 18443 1 115 . CYS . 18443 1 116 . VAL . 18443 1 117 . LYS . 18443 1 118 . GLY . 18443 1 119 . GLY . 18443 1 120 . ALA . 18443 1 121 . CYS . 18443 1 122 . GLY . 18443 1 123 . GLU . 18443 1 124 . GLY . 18443 1 125 . HIS . 18443 1 126 . HIS . 18443 1 127 . HIS . 18443 1 128 . HIS . 18443 1 129 . HIS . 18443 1 130 . HIS . 18443 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 18443 1 . SER 2 2 18443 1 . LEU 3 3 18443 1 . ARG 4 4 18443 1 . TRP 5 5 18443 1 . TYR 6 6 18443 1 . PRO 7 7 18443 1 . TYR 8 8 18443 1 . PRO 9 9 18443 1 . GLU 10 10 18443 1 . ALA 11 11 18443 1 . LEU 12 12 18443 1 . ALA 13 13 18443 1 . LEU 14 14 18443 1 . ALA 15 15 18443 1 . GLN 16 16 18443 1 . ALA 17 17 18443 1 . HIS 18 18 18443 1 . GLY 19 19 18443 1 . ARG 20 20 18443 1 . MET 21 21 18443 1 . VAL 22 22 18443 1 . MET 23 23 18443 1 . VAL 24 24 18443 1 . TYR 25 25 18443 1 . PHE 26 26 18443 1 . HIS 27 27 18443 1 . SER 28 28 18443 1 . GLU 29 29 18443 1 . HIS 30 30 18443 1 . CYS 31 31 18443 1 . PRO 32 32 18443 1 . TYR 33 33 18443 1 . CYS 34 34 18443 1 . GLN 35 35 18443 1 . GLN 36 36 18443 1 . MET 37 37 18443 1 . ASN 38 38 18443 1 . THR 39 39 18443 1 . PHE 40 40 18443 1 . VAL 41 41 18443 1 . LEU 42 42 18443 1 . SER 43 43 18443 1 . ASP 44 44 18443 1 . PRO 45 45 18443 1 . GLY 46 46 18443 1 . VAL 47 47 18443 1 . SER 48 48 18443 1 . ARG 49 49 18443 1 . LEU 50 50 18443 1 . LEU 51 51 18443 1 . GLU 52 52 18443 1 . ALA 53 53 18443 1 . ARG 54 54 18443 1 . PHE 55 55 18443 1 . VAL 56 56 18443 1 . VAL 57 57 18443 1 . ALA 58 58 18443 1 . SER 59 59 18443 1 . VAL 60 60 18443 1 . SER 61 61 18443 1 . VAL 62 62 18443 1 . ASP 63 63 18443 1 . THR 64 64 18443 1 . PRO 65 65 18443 1 . GLU 66 66 18443 1 . GLY 67 67 18443 1 . GLN 68 68 18443 1 . GLU 69 69 18443 1 . LEU 70 70 18443 1 . ALA 71 71 18443 1 . ARG 72 72 18443 1 . ARG 73 73 18443 1 . TYR 74 74 18443 1 . ARG 75 75 18443 1 . VAL 76 76 18443 1 . PRO 77 77 18443 1 . GLY 78 78 18443 1 . THR 79 79 18443 1 . PRO 80 80 18443 1 . THR 81 81 18443 1 . PHE 82 82 18443 1 . VAL 83 83 18443 1 . PHE 84 84 18443 1 . LEU 85 85 18443 1 . VAL 86 86 18443 1 . PRO 87 87 18443 1 . LYS 88 88 18443 1 . ALA 89 89 18443 1 . GLY 90 90 18443 1 . ALA 91 91 18443 1 . TRP 92 92 18443 1 . GLU 93 93 18443 1 . GLU 94 94 18443 1 . VAL 95 95 18443 1 . GLY 96 96 18443 1 . ARG 97 97 18443 1 . LEU 98 98 18443 1 . PHE 99 99 18443 1 . GLY 100 100 18443 1 . SER 101 101 18443 1 . ARG 102 102 18443 1 . PRO 103 103 18443 1 . ARG 104 104 18443 1 . ALA 105 105 18443 1 . GLU 106 106 18443 1 . PHE 107 107 18443 1 . LEU 108 108 18443 1 . LYS 109 109 18443 1 . GLU 110 110 18443 1 . LEU 111 111 18443 1 . ARG 112 112 18443 1 . GLN 113 113 18443 1 . VAL 114 114 18443 1 . CYS 115 115 18443 1 . VAL 116 116 18443 1 . LYS 117 117 18443 1 . GLY 118 118 18443 1 . GLY 119 119 18443 1 . ALA 120 120 18443 1 . CYS 121 121 18443 1 . GLY 122 122 18443 1 . GLU 123 123 18443 1 . GLY 124 124 18443 1 . HIS 125 125 18443 1 . HIS 126 126 18443 1 . HIS 127 127 18443 1 . HIS 128 128 18443 1 . HIS 129 129 18443 1 . HIS 130 130 18443 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18443 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $thioredoxin . 274 organism . 'Thermus thermophilus' bacteria . . Bacteria . Thermus thermophilus . . . . . . . . . . . . . . . . . . . . . 18443 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 18443 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $thioredoxin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . pET . . 'modified pET26' . . . . . . 18443 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18443 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM Na phosphate buffer, 50mM NaCl, pH 5.8, 5mM DTT, 1mM EDTA' _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 thioredoxin '[U-13C; U-15N]' . . 1 $thioredoxin . . 0.5 . . mM . . . . 18443 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18443 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18443 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 18443 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18443 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18443 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM Na phosphate buffer, 50mM NaCl, pH5.8, 5mM DTT, 1mM EDTA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 thioredoxin '[U-13C; U-15N]' . . 1 $thioredoxin . . 0.5 . . mM . . . . 18443 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18443 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18443 2 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 18443 2 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18443 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18443 _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' 70 . mM 18443 1 pH 5.8 . pH 18443 1 pressure 1 . ATM 18443 1 temperature 303 . K 18443 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18443 _Software.ID 1 _Software.Name CNS _Software.Version 1.21 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18443 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18443 1 'structure solution' 18443 1 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18443 _Software.ID 2 _Software.Name ARIA _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18443 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18443 2 stop_ save_ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 18443 _Software.ID 3 _Software.Name CCPN _Software.Version 2.1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18443 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18443 3 'data analysis' 18443 3 'peak picking' 18443 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18443 _Software.ID 4 _Software.Name NMRPipe _Software.Version 5.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18443 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18443 4 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18443 _Software.ID 5 _Software.Name VNMRJ _Software.Version 2.2D _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18443 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18443 5 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18443 _Software.ID 6 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18443 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18443 6 stop_ save_ save_MDDNMR _Software.Sf_category software _Software.Sf_framecode MDDNMR _Software.Entry_ID 18443 _Software.ID 7 _Software.Name MDDNMR _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(MDDNMR) Orekhov, Jaravine, Kazimierczuk' . . 18443 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18443 7 processing 18443 7 stop_ save_ save_MDDGUI _Software.Sf_category software _Software.Sf_framecode MDDGUI _Software.Entry_ID 18443 _Software.ID 8 _Software.Name MDDGUI _Software.Version 1.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(MDDGUI) Lemak, Gutmanas, Chitayat, Karra, Fares, Sunnerhagen, Arrowsmith' . . 18443 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18443 8 processing 18443 8 stop_ save_ save_SIDER _Software.Sf_category software _Software.Sf_framecode SIDER _Software.Entry_ID 18443 _Software.ID 9 _Software.Name SIDER _Software.Version . _Software.Details 'Side chain rotamer analysis' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Hansen . http://www.biochem.ucl.ac.uk/hansen/sider/ 18443 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18443 9 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 18443 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _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 18443 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18443 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Inova . 600 . 1 $citations 18443 1 2 spectrometer_2 Bruker Avance . 600 . . . 18443 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 18443 _Experiment_list.ID 1 _Experiment_list.Details 'All 3Ds collected using Non-Uniform Sampling with the MDDNMR and MDDGUI programs' 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 '15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18443 1 2 '15N NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18443 1 3 '13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18443 1 4 'aromatic 13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18443 1 5 '13C NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18443 1 6 '13C aromatic NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18443 1 7 HNCO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18443 1 8 HNCACO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18443 1 9 HNCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18443 1 10 HNCOCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18443 1 11 HNCACB no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18443 1 12 CBCACONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18443 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18443 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18443 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18443 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18443 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18443 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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 '15N HSQC' . . . 18443 1 3 '13C HSQC' . . . 18443 1 4 'aromatic 13C HSQC' . . . 18443 1 7 HNCO . . . 18443 1 8 HNCACO . . . 18443 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.050 0.010 . 1 . . . A 2 SER HA . 18443 1 2 . 1 1 2 2 SER HB2 H 1 3.933 0.010 . 2 . . . A 2 SER HB2 . 18443 1 3 . 1 1 2 2 SER HB3 H 1 3.853 0.010 . 2 . . . A 2 SER HB3 . 18443 1 4 . 1 1 2 2 SER CA C 13 57.351 0.050 . 1 . . . A 2 SER CA . 18443 1 5 . 1 1 2 2 SER CB C 13 63.259 0.050 . 1 . . . A 2 SER CB . 18443 1 6 . 1 1 3 3 LEU HA H 1 4.302 0.007 . 1 . . . A 3 LEU HA . 18443 1 7 . 1 1 3 3 LEU HB2 H 1 1.491 0.010 . 2 . . . A 3 LEU HB2 . 18443 1 8 . 1 1 3 3 LEU HB3 H 1 1.416 0.010 . 2 . . . A 3 LEU HB3 . 18443 1 9 . 1 1 3 3 LEU HG H 1 1.384 0.009 . 1 . . . A 3 LEU HG . 18443 1 10 . 1 1 3 3 LEU HD11 H 1 0.896 0.005 . 2 . . . A 3 LEU HD11 . 18443 1 11 . 1 1 3 3 LEU HD12 H 1 0.896 0.005 . 2 . . . A 3 LEU HD12 . 18443 1 12 . 1 1 3 3 LEU HD13 H 1 0.896 0.005 . 2 . . . A 3 LEU HD13 . 18443 1 13 . 1 1 3 3 LEU HD21 H 1 0.889 0.008 . 2 . . . A 3 LEU HD21 . 18443 1 14 . 1 1 3 3 LEU HD22 H 1 0.889 0.008 . 2 . . . A 3 LEU HD22 . 18443 1 15 . 1 1 3 3 LEU HD23 H 1 0.889 0.008 . 2 . . . A 3 LEU HD23 . 18443 1 16 . 1 1 3 3 LEU C C 13 175.706 0.068 . 1 . . . A 3 LEU C . 18443 1 17 . 1 1 3 3 LEU CA C 13 55.286 0.103 . 1 . . . A 3 LEU CA . 18443 1 18 . 1 1 3 3 LEU CB C 13 42.920 0.027 . 1 . . . A 3 LEU CB . 18443 1 19 . 1 1 3 3 LEU CG C 13 27.087 0.050 . 1 . . . A 3 LEU CG . 18443 1 20 . 1 1 3 3 LEU CD1 C 13 24.672 0.020 . 2 . . . A 3 LEU CD1 . 18443 1 21 . 1 1 3 3 LEU CD2 C 13 26.004 0.033 . 2 . . . A 3 LEU CD2 . 18443 1 22 . 1 1 4 4 ARG H H 1 8.502 0.004 . 1 . . . A 4 ARG H . 18443 1 23 . 1 1 4 4 ARG HA H 1 4.318 0.008 . 1 . . . A 4 ARG HA . 18443 1 24 . 1 1 4 4 ARG HB2 H 1 1.628 0.005 . 1 . . . A 4 ARG HB2 . 18443 1 25 . 1 1 4 4 ARG HB3 H 1 1.628 0.005 . 1 . . . A 4 ARG HB3 . 18443 1 26 . 1 1 4 4 ARG HG2 H 1 1.369 0.004 . 2 . . . A 4 ARG HG2 . 18443 1 27 . 1 1 4 4 ARG HG3 H 1 1.247 0.007 . 2 . . . A 4 ARG HG3 . 18443 1 28 . 1 1 4 4 ARG HD2 H 1 3.043 0.008 . 1 . . . A 4 ARG HD2 . 18443 1 29 . 1 1 4 4 ARG HD3 H 1 3.043 0.008 . 1 . . . A 4 ARG HD3 . 18443 1 30 . 1 1 4 4 ARG C C 13 173.862 0.021 . 1 . . . A 4 ARG C . 18443 1 31 . 1 1 4 4 ARG CA C 13 54.980 0.127 . 1 . . . A 4 ARG CA . 18443 1 32 . 1 1 4 4 ARG CB C 13 31.326 0.024 . 1 . . . A 4 ARG CB . 18443 1 33 . 1 1 4 4 ARG CG C 13 26.776 0.026 . 1 . . . A 4 ARG CG . 18443 1 34 . 1 1 4 4 ARG CD C 13 43.219 0.014 . 1 . . . A 4 ARG CD . 18443 1 35 . 1 1 4 4 ARG N N 15 127.222 0.063 . 1 . . . A 4 ARG N . 18443 1 36 . 1 1 5 5 TRP H H 1 8.184 0.003 . 1 . . . A 5 TRP H . 18443 1 37 . 1 1 5 5 TRP HA H 1 5.000 0.008 . 1 . . . A 5 TRP HA . 18443 1 38 . 1 1 5 5 TRP HB2 H 1 3.106 0.002 . 2 . . . A 5 TRP HB2 . 18443 1 39 . 1 1 5 5 TRP HB3 H 1 3.040 0.004 . 2 . . . A 5 TRP HB3 . 18443 1 40 . 1 1 5 5 TRP HD1 H 1 7.041 0.008 . 1 . . . A 5 TRP HD1 . 18443 1 41 . 1 1 5 5 TRP HE1 H 1 9.865 0.002 . 1 . . . A 5 TRP HE1 . 18443 1 42 . 1 1 5 5 TRP HE3 H 1 7.344 0.004 . 1 . . . A 5 TRP HE3 . 18443 1 43 . 1 1 5 5 TRP HZ2 H 1 7.294 0.008 . 1 . . . A 5 TRP HZ2 . 18443 1 44 . 1 1 5 5 TRP HZ3 H 1 6.875 0.005 . 1 . . . A 5 TRP HZ3 . 18443 1 45 . 1 1 5 5 TRP HH2 H 1 6.901 0.010 . 1 . . . A 5 TRP HH2 . 18443 1 46 . 1 1 5 5 TRP C C 13 176.309 0.021 . 1 . . . A 5 TRP C . 18443 1 47 . 1 1 5 5 TRP CA C 13 54.681 0.072 . 1 . . . A 5 TRP CA . 18443 1 48 . 1 1 5 5 TRP CB C 13 30.890 0.026 . 1 . . . A 5 TRP CB . 18443 1 49 . 1 1 5 5 TRP CD1 C 13 125.662 0.044 . 1 . . . A 5 TRP CD1 . 18443 1 50 . 1 1 5 5 TRP CE3 C 13 120.378 0.063 . 1 . . . A 5 TRP CE3 . 18443 1 51 . 1 1 5 5 TRP CZ2 C 13 114.501 0.043 . 1 . . . A 5 TRP CZ2 . 18443 1 52 . 1 1 5 5 TRP CZ3 C 13 121.678 0.077 . 1 . . . A 5 TRP CZ3 . 18443 1 53 . 1 1 5 5 TRP CH2 C 13 124.136 0.050 . 1 . . . A 5 TRP CH2 . 18443 1 54 . 1 1 5 5 TRP N N 15 123.052 0.063 . 1 . . . A 5 TRP N . 18443 1 55 . 1 1 5 5 TRP NE1 N 15 127.942 0.026 . 1 . . . A 5 TRP NE1 . 18443 1 56 . 1 1 6 6 TYR H H 1 8.818 0.005 . 1 . . . A 6 TYR H . 18443 1 57 . 1 1 6 6 TYR HA H 1 4.979 0.007 . 1 . . . A 6 TYR HA . 18443 1 58 . 1 1 6 6 TYR HB2 H 1 2.591 0.007 . 2 . . . A 6 TYR HB2 . 18443 1 59 . 1 1 6 6 TYR HB3 H 1 3.071 0.009 . 2 . . . A 6 TYR HB3 . 18443 1 60 . 1 1 6 6 TYR HD1 H 1 7.249 0.006 . 3 . . . A 6 TYR HD1 . 18443 1 61 . 1 1 6 6 TYR HD2 H 1 7.249 0.006 . 3 . . . A 6 TYR HD2 . 18443 1 62 . 1 1 6 6 TYR HE1 H 1 6.835 0.006 . 3 . . . A 6 TYR HE1 . 18443 1 63 . 1 1 6 6 TYR HE2 H 1 6.835 0.006 . 3 . . . A 6 TYR HE2 . 18443 1 64 . 1 1 6 6 TYR CA C 13 57.184 0.048 . 1 . . . A 6 TYR CA . 18443 1 65 . 1 1 6 6 TYR CB C 13 41.337 0.065 . 1 . . . A 6 TYR CB . 18443 1 66 . 1 1 6 6 TYR CD1 C 13 133.388 0.032 . 3 . . . A 6 TYR CD1 . 18443 1 67 . 1 1 6 6 TYR CD2 C 13 133.388 0.032 . 3 . . . A 6 TYR CD2 . 18443 1 68 . 1 1 6 6 TYR CE1 C 13 118.381 0.090 . 3 . . . A 6 TYR CE1 . 18443 1 69 . 1 1 6 6 TYR CE2 C 13 118.381 0.090 . 3 . . . A 6 TYR CE2 . 18443 1 70 . 1 1 6 6 TYR N N 15 120.957 0.054 . 1 . . . A 6 TYR N . 18443 1 71 . 1 1 7 7 PRO HA H 1 4.910 0.007 . 1 . . . A 7 PRO HA . 18443 1 72 . 1 1 7 7 PRO HB2 H 1 2.695 0.006 . 2 . . . A 7 PRO HB2 . 18443 1 73 . 1 1 7 7 PRO HB3 H 1 2.150 0.007 . 2 . . . A 7 PRO HB3 . 18443 1 74 . 1 1 7 7 PRO HG2 H 1 2.334 0.004 . 2 . . . A 7 PRO HG2 . 18443 1 75 . 1 1 7 7 PRO HG3 H 1 2.213 0.009 . 2 . . . A 7 PRO HG3 . 18443 1 76 . 1 1 7 7 PRO HD2 H 1 4.067 0.008 . 2 . . . A 7 PRO HD2 . 18443 1 77 . 1 1 7 7 PRO HD3 H 1 4.002 0.006 . 2 . . . A 7 PRO HD3 . 18443 1 78 . 1 1 7 7 PRO C C 13 177.869 0.000 . 1 . . . A 7 PRO C . 18443 1 79 . 1 1 7 7 PRO CA C 13 62.578 0.075 . 1 . . . A 7 PRO CA . 18443 1 80 . 1 1 7 7 PRO CB C 13 32.945 0.048 . 1 . . . A 7 PRO CB . 18443 1 81 . 1 1 7 7 PRO CG C 13 28.493 0.041 . 1 . . . A 7 PRO CG . 18443 1 82 . 1 1 7 7 PRO CD C 13 50.904 0.050 . 1 . . . A 7 PRO CD . 18443 1 83 . 1 1 8 8 TYR H H 1 9.408 0.004 . 1 . . . A 8 TYR H . 18443 1 84 . 1 1 8 8 TYR HA H 1 4.043 0.006 . 1 . . . A 8 TYR HA . 18443 1 85 . 1 1 8 8 TYR HB2 H 1 2.679 0.008 . 2 . . . A 8 TYR HB2 . 18443 1 86 . 1 1 8 8 TYR HB3 H 1 3.091 0.009 . 2 . . . A 8 TYR HB3 . 18443 1 87 . 1 1 8 8 TYR HD1 H 1 6.653 0.009 . 3 . . . A 8 TYR HD1 . 18443 1 88 . 1 1 8 8 TYR HD2 H 1 6.653 0.009 . 3 . . . A 8 TYR HD2 . 18443 1 89 . 1 1 8 8 TYR HE1 H 1 6.582 0.008 . 3 . . . A 8 TYR HE1 . 18443 1 90 . 1 1 8 8 TYR HE2 H 1 6.582 0.008 . 3 . . . A 8 TYR HE2 . 18443 1 91 . 1 1 8 8 TYR CA C 13 64.075 0.064 . 1 . . . A 8 TYR CA . 18443 1 92 . 1 1 8 8 TYR CB C 13 36.854 0.070 . 1 . . . A 8 TYR CB . 18443 1 93 . 1 1 8 8 TYR CD1 C 13 132.943 0.032 . 3 . . . A 8 TYR CD1 . 18443 1 94 . 1 1 8 8 TYR CD2 C 13 132.943 0.032 . 3 . . . A 8 TYR CD2 . 18443 1 95 . 1 1 8 8 TYR CE1 C 13 118.355 0.045 . 3 . . . A 8 TYR CE1 . 18443 1 96 . 1 1 8 8 TYR CE2 C 13 118.355 0.045 . 3 . . . A 8 TYR CE2 . 18443 1 97 . 1 1 8 8 TYR N N 15 122.256 0.027 . 1 . . . A 8 TYR N . 18443 1 98 . 1 1 9 9 PRO HA H 1 4.042 0.007 . 1 . . . A 9 PRO HA . 18443 1 99 . 1 1 9 9 PRO HB2 H 1 2.389 0.002 . 2 . . . A 9 PRO HB2 . 18443 1 100 . 1 1 9 9 PRO HB3 H 1 1.983 0.005 . 2 . . . A 9 PRO HB3 . 18443 1 101 . 1 1 9 9 PRO HG2 H 1 2.206 0.002 . 2 . . . A 9 PRO HG2 . 18443 1 102 . 1 1 9 9 PRO HG3 H 1 2.265 0.007 . 2 . . . A 9 PRO HG3 . 18443 1 103 . 1 1 9 9 PRO HD2 H 1 4.179 0.006 . 2 . . . A 9 PRO HD2 . 18443 1 104 . 1 1 9 9 PRO HD3 H 1 3.833 0.007 . 2 . . . A 9 PRO HD3 . 18443 1 105 . 1 1 9 9 PRO C C 13 180.472 0.050 . 1 . . . A 9 PRO C . 18443 1 106 . 1 1 9 9 PRO CA C 13 66.386 0.062 . 1 . . . A 9 PRO CA . 18443 1 107 . 1 1 9 9 PRO CB C 13 30.526 0.034 . 1 . . . A 9 PRO CB . 18443 1 108 . 1 1 9 9 PRO CG C 13 28.854 0.050 . 1 . . . A 9 PRO CG . 18443 1 109 . 1 1 9 9 PRO CD C 13 49.494 0.035 . 1 . . . A 9 PRO CD . 18443 1 110 . 1 1 10 10 GLU H H 1 7.093 0.005 . 1 . . . A 10 GLU H . 18443 1 111 . 1 1 10 10 GLU HA H 1 4.054 0.006 . 1 . . . A 10 GLU HA . 18443 1 112 . 1 1 10 10 GLU HB2 H 1 2.148 0.013 . 1 . . . A 10 GLU HB2 . 18443 1 113 . 1 1 10 10 GLU HB3 H 1 2.148 0.013 . 1 . . . A 10 GLU HB3 . 18443 1 114 . 1 1 10 10 GLU HG2 H 1 2.347 0.004 . 1 . . . A 10 GLU HG2 . 18443 1 115 . 1 1 10 10 GLU HG3 H 1 2.345 0.004 . 1 . . . A 10 GLU HG3 . 18443 1 116 . 1 1 10 10 GLU C C 13 178.293 0.024 . 1 . . . A 10 GLU C . 18443 1 117 . 1 1 10 10 GLU CA C 13 59.030 0.073 . 1 . . . A 10 GLU CA . 18443 1 118 . 1 1 10 10 GLU CB C 13 30.309 0.049 . 1 . . . A 10 GLU CB . 18443 1 119 . 1 1 10 10 GLU CG C 13 36.810 0.030 . 1 . . . A 10 GLU CG . 18443 1 120 . 1 1 10 10 GLU N N 15 118.047 0.048 . 1 . . . A 10 GLU N . 18443 1 121 . 1 1 11 11 ALA H H 1 8.447 0.007 . 1 . . . A 11 ALA H . 18443 1 122 . 1 1 11 11 ALA HA H 1 3.621 0.006 . 1 . . . A 11 ALA HA . 18443 1 123 . 1 1 11 11 ALA HB1 H 1 1.260 0.007 . 1 . . . A 11 ALA HB1 . 18443 1 124 . 1 1 11 11 ALA HB2 H 1 1.260 0.007 . 1 . . . A 11 ALA HB2 . 18443 1 125 . 1 1 11 11 ALA HB3 H 1 1.260 0.007 . 1 . . . A 11 ALA HB3 . 18443 1 126 . 1 1 11 11 ALA C C 13 178.890 0.030 . 1 . . . A 11 ALA C . 18443 1 127 . 1 1 11 11 ALA CA C 13 54.519 0.097 . 1 . . . A 11 ALA CA . 18443 1 128 . 1 1 11 11 ALA CB C 13 19.045 0.019 . 1 . . . A 11 ALA CB . 18443 1 129 . 1 1 11 11 ALA N N 15 121.740 0.036 . 1 . . . A 11 ALA N . 18443 1 130 . 1 1 12 12 LEU H H 1 7.354 0.005 . 1 . . . A 12 LEU H . 18443 1 131 . 1 1 12 12 LEU HA H 1 3.451 0.007 . 1 . . . A 12 LEU HA . 18443 1 132 . 1 1 12 12 LEU HB2 H 1 1.327 0.008 . 2 . . . A 12 LEU HB2 . 18443 1 133 . 1 1 12 12 LEU HB3 H 1 1.241 0.006 . 2 . . . A 12 LEU HB3 . 18443 1 134 . 1 1 12 12 LEU HG H 1 0.480 0.010 . 1 . . . A 12 LEU HG . 18443 1 135 . 1 1 12 12 LEU HD11 H 1 -0.057 0.006 . 2 . . . A 12 LEU HD11 . 18443 1 136 . 1 1 12 12 LEU HD12 H 1 -0.057 0.006 . 2 . . . A 12 LEU HD12 . 18443 1 137 . 1 1 12 12 LEU HD13 H 1 -0.057 0.006 . 2 . . . A 12 LEU HD13 . 18443 1 138 . 1 1 12 12 LEU HD21 H 1 -0.501 0.006 . 2 . . . A 12 LEU HD21 . 18443 1 139 . 1 1 12 12 LEU HD22 H 1 -0.501 0.006 . 2 . . . A 12 LEU HD22 . 18443 1 140 . 1 1 12 12 LEU HD23 H 1 -0.501 0.006 . 2 . . . A 12 LEU HD23 . 18443 1 141 . 1 1 12 12 LEU C C 13 179.331 0.000 . 1 . . . A 12 LEU C . 18443 1 142 . 1 1 12 12 LEU CA C 13 58.523 0.085 . 1 . . . A 12 LEU CA . 18443 1 143 . 1 1 12 12 LEU CB C 13 40.445 0.030 . 1 . . . A 12 LEU CB . 18443 1 144 . 1 1 12 12 LEU CG C 13 27.415 0.037 . 1 . . . A 12 LEU CG . 18443 1 145 . 1 1 12 12 LEU CD1 C 13 23.810 0.039 . 2 . . . A 12 LEU CD1 . 18443 1 146 . 1 1 12 12 LEU CD2 C 13 21.369 0.015 . 2 . . . A 12 LEU CD2 . 18443 1 147 . 1 1 12 12 LEU N N 15 115.622 0.039 . 1 . . . A 12 LEU N . 18443 1 148 . 1 1 13 13 ALA H H 1 7.201 0.007 . 1 . . . A 13 ALA H . 18443 1 149 . 1 1 13 13 ALA HA H 1 4.175 0.005 . 1 . . . A 13 ALA HA . 18443 1 150 . 1 1 13 13 ALA HB1 H 1 1.482 0.006 . 1 . . . A 13 ALA HB1 . 18443 1 151 . 1 1 13 13 ALA HB2 H 1 1.482 0.006 . 1 . . . A 13 ALA HB2 . 18443 1 152 . 1 1 13 13 ALA HB3 H 1 1.482 0.006 . 1 . . . A 13 ALA HB3 . 18443 1 153 . 1 1 13 13 ALA C C 13 181.630 0.003 . 1 . . . A 13 ALA C . 18443 1 154 . 1 1 13 13 ALA CA C 13 55.325 0.117 . 1 . . . A 13 ALA CA . 18443 1 155 . 1 1 13 13 ALA CB C 13 18.155 0.030 . 1 . . . A 13 ALA CB . 18443 1 156 . 1 1 13 13 ALA N N 15 120.240 0.058 . 1 . . . A 13 ALA N . 18443 1 157 . 1 1 14 14 LEU H H 1 8.202 0.008 . 1 . . . A 14 LEU H . 18443 1 158 . 1 1 14 14 LEU HA H 1 4.087 0.010 . 1 . . . A 14 LEU HA . 18443 1 159 . 1 1 14 14 LEU HB2 H 1 1.570 0.005 . 2 . . . A 14 LEU HB2 . 18443 1 160 . 1 1 14 14 LEU HB3 H 1 1.372 0.009 . 2 . . . A 14 LEU HB3 . 18443 1 161 . 1 1 14 14 LEU HG H 1 1.477 0.005 . 1 . . . A 14 LEU HG . 18443 1 162 . 1 1 14 14 LEU HD11 H 1 0.458 0.007 . 2 . . . A 14 LEU HD11 . 18443 1 163 . 1 1 14 14 LEU HD12 H 1 0.458 0.007 . 2 . . . A 14 LEU HD12 . 18443 1 164 . 1 1 14 14 LEU HD13 H 1 0.458 0.007 . 2 . . . A 14 LEU HD13 . 18443 1 165 . 1 1 14 14 LEU HD21 H 1 0.668 0.006 . 2 . . . A 14 LEU HD21 . 18443 1 166 . 1 1 14 14 LEU HD22 H 1 0.668 0.006 . 2 . . . A 14 LEU HD22 . 18443 1 167 . 1 1 14 14 LEU HD23 H 1 0.668 0.006 . 2 . . . A 14 LEU HD23 . 18443 1 168 . 1 1 14 14 LEU C C 13 179.635 0.000 . 1 . . . A 14 LEU C . 18443 1 169 . 1 1 14 14 LEU CA C 13 57.688 0.094 . 1 . . . A 14 LEU CA . 18443 1 170 . 1 1 14 14 LEU CB C 13 42.792 0.019 . 1 . . . A 14 LEU CB . 18443 1 171 . 1 1 14 14 LEU CG C 13 26.903 0.034 . 1 . . . A 14 LEU CG . 18443 1 172 . 1 1 14 14 LEU CD1 C 13 24.213 0.026 . 2 . . . A 14 LEU CD1 . 18443 1 173 . 1 1 14 14 LEU CD2 C 13 24.139 0.028 . 2 . . . A 14 LEU CD2 . 18443 1 174 . 1 1 14 14 LEU N N 15 120.757 0.039 . 1 . . . A 14 LEU N . 18443 1 175 . 1 1 15 15 ALA H H 1 8.594 0.004 . 1 . . . A 15 ALA H . 18443 1 176 . 1 1 15 15 ALA HA H 1 3.874 0.005 . 1 . . . A 15 ALA HA . 18443 1 177 . 1 1 15 15 ALA HB1 H 1 1.618 0.008 . 1 . . . A 15 ALA HB1 . 18443 1 178 . 1 1 15 15 ALA HB2 H 1 1.618 0.008 . 1 . . . A 15 ALA HB2 . 18443 1 179 . 1 1 15 15 ALA HB3 H 1 1.618 0.008 . 1 . . . A 15 ALA HB3 . 18443 1 180 . 1 1 15 15 ALA C C 13 180.839 0.012 . 1 . . . A 15 ALA C . 18443 1 181 . 1 1 15 15 ALA CA C 13 56.248 0.075 . 1 . . . A 15 ALA CA . 18443 1 182 . 1 1 15 15 ALA CB C 13 19.636 0.017 . 1 . . . A 15 ALA CB . 18443 1 183 . 1 1 15 15 ALA N N 15 121.483 0.058 . 1 . . . A 15 ALA N . 18443 1 184 . 1 1 16 16 GLN H H 1 8.609 0.003 . 1 . . . A 16 GLN H . 18443 1 185 . 1 1 16 16 GLN HA H 1 3.969 0.010 . 1 . . . A 16 GLN HA . 18443 1 186 . 1 1 16 16 GLN HB2 H 1 2.470 0.007 . 2 . . . A 16 GLN HB2 . 18443 1 187 . 1 1 16 16 GLN HB3 H 1 2.263 0.009 . 2 . . . A 16 GLN HB3 . 18443 1 188 . 1 1 16 16 GLN HG2 H 1 2.374 0.007 . 1 . . . A 16 GLN HG2 . 18443 1 189 . 1 1 16 16 GLN HG3 H 1 2.374 0.007 . 1 . . . A 16 GLN HG3 . 18443 1 190 . 1 1 16 16 GLN HE21 H 1 7.120 0.005 . 1 . . . A 16 GLN HE21 . 18443 1 191 . 1 1 16 16 GLN HE22 H 1 6.576 0.008 . 1 . . . A 16 GLN HE22 . 18443 1 192 . 1 1 16 16 GLN C C 13 178.701 0.021 . 1 . . . A 16 GLN C . 18443 1 193 . 1 1 16 16 GLN CA C 13 59.153 0.131 . 1 . . . A 16 GLN CA . 18443 1 194 . 1 1 16 16 GLN CB C 13 28.879 0.051 . 1 . . . A 16 GLN CB . 18443 1 195 . 1 1 16 16 GLN CG C 13 33.971 0.017 . 1 . . . A 16 GLN CG . 18443 1 196 . 1 1 16 16 GLN N N 15 117.131 0.054 . 1 . . . A 16 GLN N . 18443 1 197 . 1 1 16 16 GLN NE2 N 15 110.598 0.028 . 1 . . . A 16 GLN NE2 . 18443 1 198 . 1 1 17 17 ALA H H 1 7.635 0.003 . 1 . . . A 17 ALA H . 18443 1 199 . 1 1 17 17 ALA HA H 1 4.119 0.003 . 1 . . . A 17 ALA HA . 18443 1 200 . 1 1 17 17 ALA HB1 H 1 1.358 0.007 . 1 . . . A 17 ALA HB1 . 18443 1 201 . 1 1 17 17 ALA HB2 H 1 1.358 0.007 . 1 . . . A 17 ALA HB2 . 18443 1 202 . 1 1 17 17 ALA HB3 H 1 1.358 0.007 . 1 . . . A 17 ALA HB3 . 18443 1 203 . 1 1 17 17 ALA C C 13 179.305 0.046 . 1 . . . A 17 ALA C . 18443 1 204 . 1 1 17 17 ALA CA C 13 54.619 0.077 . 1 . . . A 17 ALA CA . 18443 1 205 . 1 1 17 17 ALA CB C 13 18.263 0.028 . 1 . . . A 17 ALA CB . 18443 1 206 . 1 1 17 17 ALA N N 15 120.088 0.035 . 1 . . . A 17 ALA N . 18443 1 207 . 1 1 18 18 HIS H H 1 7.728 0.005 . 1 . . . A 18 HIS H . 18443 1 208 . 1 1 18 18 HIS HA H 1 4.812 0.012 . 1 . . . A 18 HIS HA . 18443 1 209 . 1 1 18 18 HIS HB2 H 1 2.738 0.006 . 2 . . . A 18 HIS HB2 . 18443 1 210 . 1 1 18 18 HIS HB3 H 1 3.447 0.014 . 2 . . . A 18 HIS HB3 . 18443 1 211 . 1 1 18 18 HIS HD2 H 1 7.172 0.010 . 1 . . . A 18 HIS HD2 . 18443 1 212 . 1 1 18 18 HIS HE1 H 1 8.055 0.004 . 1 . . . A 18 HIS HE1 . 18443 1 213 . 1 1 18 18 HIS C C 13 175.021 0.025 . 1 . . . A 18 HIS C . 18443 1 214 . 1 1 18 18 HIS CA C 13 55.537 0.064 . 1 . . . A 18 HIS CA . 18443 1 215 . 1 1 18 18 HIS CB C 13 31.211 0.038 . 1 . . . A 18 HIS CB . 18443 1 216 . 1 1 18 18 HIS CD2 C 13 120.602 0.050 . 1 . . . A 18 HIS CD2 . 18443 1 217 . 1 1 18 18 HIS CE1 C 13 138.187 0.024 . 1 . . . A 18 HIS CE1 . 18443 1 218 . 1 1 18 18 HIS N N 15 111.636 0.046 . 1 . . . A 18 HIS N . 18443 1 219 . 1 1 19 19 GLY H H 1 7.886 0.006 . 1 . . . A 19 GLY H . 18443 1 220 . 1 1 19 19 GLY HA2 H 1 3.947 0.015 . 1 . . . A 19 GLY HA2 . 18443 1 221 . 1 1 19 19 GLY HA3 H 1 3.947 0.015 . 1 . . . A 19 GLY HA3 . 18443 1 222 . 1 1 19 19 GLY C C 13 175.071 0.050 . 1 . . . A 19 GLY C . 18443 1 223 . 1 1 19 19 GLY CA C 13 47.655 0.154 . 1 . . . A 19 GLY CA . 18443 1 224 . 1 1 19 19 GLY N N 15 111.899 0.037 . 1 . . . A 19 GLY N . 18443 1 225 . 1 1 20 20 ARG H H 1 8.239 0.003 . 1 . . . A 20 ARG H . 18443 1 226 . 1 1 20 20 ARG HA H 1 4.611 0.005 . 1 . . . A 20 ARG HA . 18443 1 227 . 1 1 20 20 ARG HB2 H 1 1.984 0.008 . 2 . . . A 20 ARG HB2 . 18443 1 228 . 1 1 20 20 ARG HB3 H 1 1.453 0.011 . 2 . . . A 20 ARG HB3 . 18443 1 229 . 1 1 20 20 ARG HG2 H 1 1.611 0.010 . 2 . . . A 20 ARG HG2 . 18443 1 230 . 1 1 20 20 ARG HG3 H 1 1.542 0.008 . 2 . . . A 20 ARG HG3 . 18443 1 231 . 1 1 20 20 ARG HD2 H 1 2.940 0.005 . 2 . . . A 20 ARG HD2 . 18443 1 232 . 1 1 20 20 ARG HD3 H 1 2.834 0.005 . 2 . . . A 20 ARG HD3 . 18443 1 233 . 1 1 20 20 ARG C C 13 174.586 0.020 . 1 . . . A 20 ARG C . 18443 1 234 . 1 1 20 20 ARG CA C 13 54.512 0.099 . 1 . . . A 20 ARG CA . 18443 1 235 . 1 1 20 20 ARG CB C 13 34.275 0.021 . 1 . . . A 20 ARG CB . 18443 1 236 . 1 1 20 20 ARG CG C 13 28.069 0.040 . 1 . . . A 20 ARG CG . 18443 1 237 . 1 1 20 20 ARG CD C 13 43.557 0.019 . 1 . . . A 20 ARG CD . 18443 1 238 . 1 1 20 20 ARG N N 15 118.442 0.035 . 1 . . . A 20 ARG N . 18443 1 239 . 1 1 21 21 MET H H 1 7.193 0.010 . 1 . . . A 21 MET H . 18443 1 240 . 1 1 21 21 MET HA H 1 4.870 0.005 . 1 . . . A 21 MET HA . 18443 1 241 . 1 1 21 21 MET HB2 H 1 2.092 0.007 . 2 . . . A 21 MET HB2 . 18443 1 242 . 1 1 21 21 MET HB3 H 1 1.742 0.009 . 2 . . . A 21 MET HB3 . 18443 1 243 . 1 1 21 21 MET HG2 H 1 2.705 0.004 . 2 . . . A 21 MET HG2 . 18443 1 244 . 1 1 21 21 MET HG3 H 1 2.604 0.004 . 2 . . . A 21 MET HG3 . 18443 1 245 . 1 1 21 21 MET HE1 H 1 1.849 0.010 . 1 . . . A 21 MET HE1 . 18443 1 246 . 1 1 21 21 MET HE2 H 1 1.849 0.010 . 1 . . . A 21 MET HE2 . 18443 1 247 . 1 1 21 21 MET HE3 H 1 1.849 0.010 . 1 . . . A 21 MET HE3 . 18443 1 248 . 1 1 21 21 MET C C 13 175.707 0.050 . 1 . . . A 21 MET C . 18443 1 249 . 1 1 21 21 MET CA C 13 56.111 0.078 . 1 . . . A 21 MET CA . 18443 1 250 . 1 1 21 21 MET CB C 13 35.717 0.051 . 1 . . . A 21 MET CB . 18443 1 251 . 1 1 21 21 MET CG C 13 33.055 0.035 . 1 . . . A 21 MET CG . 18443 1 252 . 1 1 21 21 MET CE C 13 17.454 0.010 . 1 . . . A 21 MET CE . 18443 1 253 . 1 1 21 21 MET N N 15 115.457 0.056 . 1 . . . A 21 MET N . 18443 1 254 . 1 1 22 22 VAL H H 1 9.034 0.006 . 1 . . . A 22 VAL H . 18443 1 255 . 1 1 22 22 VAL HA H 1 5.310 0.011 . 1 . . . A 22 VAL HA . 18443 1 256 . 1 1 22 22 VAL HB H 1 1.700 0.011 . 1 . . . A 22 VAL HB . 18443 1 257 . 1 1 22 22 VAL HG11 H 1 0.646 0.010 . 2 . . . A 22 VAL HG11 . 18443 1 258 . 1 1 22 22 VAL HG12 H 1 0.646 0.010 . 2 . . . A 22 VAL HG12 . 18443 1 259 . 1 1 22 22 VAL HG13 H 1 0.646 0.010 . 2 . . . A 22 VAL HG13 . 18443 1 260 . 1 1 22 22 VAL HG21 H 1 0.623 0.011 . 2 . . . A 22 VAL HG21 . 18443 1 261 . 1 1 22 22 VAL HG22 H 1 0.623 0.011 . 2 . . . A 22 VAL HG22 . 18443 1 262 . 1 1 22 22 VAL HG23 H 1 0.623 0.011 . 2 . . . A 22 VAL HG23 . 18443 1 263 . 1 1 22 22 VAL C C 13 176.506 0.056 . 1 . . . A 22 VAL C . 18443 1 264 . 1 1 22 22 VAL CA C 13 60.429 0.066 . 1 . . . A 22 VAL CA . 18443 1 265 . 1 1 22 22 VAL CB C 13 35.658 0.021 . 1 . . . A 22 VAL CB . 18443 1 266 . 1 1 22 22 VAL CG1 C 13 21.732 0.051 . 2 . . . A 22 VAL CG1 . 18443 1 267 . 1 1 22 22 VAL CG2 C 13 23.822 0.023 . 2 . . . A 22 VAL CG2 . 18443 1 268 . 1 1 22 22 VAL N N 15 119.607 0.040 . 1 . . . A 22 VAL N . 18443 1 269 . 1 1 23 23 MET H H 1 8.704 0.009 . 1 . . . A 23 MET H . 18443 1 270 . 1 1 23 23 MET HA H 1 4.878 0.011 . 1 . . . A 23 MET HA . 18443 1 271 . 1 1 23 23 MET HB2 H 1 2.140 0.012 . 2 . . . A 23 MET HB2 . 18443 1 272 . 1 1 23 23 MET HB3 H 1 1.471 0.014 . 2 . . . A 23 MET HB3 . 18443 1 273 . 1 1 23 23 MET HE1 H 1 1.954 0.007 . 1 . . . A 23 MET HE1 . 18443 1 274 . 1 1 23 23 MET HE2 H 1 1.954 0.007 . 1 . . . A 23 MET HE2 . 18443 1 275 . 1 1 23 23 MET HE3 H 1 1.954 0.007 . 1 . . . A 23 MET HE3 . 18443 1 276 . 1 1 23 23 MET C C 13 173.960 0.050 . 1 . . . A 23 MET C . 18443 1 277 . 1 1 23 23 MET CA C 13 54.184 0.050 . 1 . . . A 23 MET CA . 18443 1 278 . 1 1 23 23 MET CB C 13 36.920 0.037 . 1 . . . A 23 MET CB . 18443 1 279 . 1 1 23 23 MET CE C 13 18.671 0.008 . 1 . . . A 23 MET CE . 18443 1 280 . 1 1 23 23 MET N N 15 126.309 0.043 . 1 . . . A 23 MET N . 18443 1 281 . 1 1 24 24 VAL H H 1 9.908 0.006 . 1 . . . A 24 VAL H . 18443 1 282 . 1 1 24 24 VAL HA H 1 4.338 0.007 . 1 . . . A 24 VAL HA . 18443 1 283 . 1 1 24 24 VAL HB H 1 1.908 0.010 . 1 . . . A 24 VAL HB . 18443 1 284 . 1 1 24 24 VAL HG11 H 1 0.699 0.007 . 2 . . . A 24 VAL HG11 . 18443 1 285 . 1 1 24 24 VAL HG12 H 1 0.699 0.007 . 2 . . . A 24 VAL HG12 . 18443 1 286 . 1 1 24 24 VAL HG13 H 1 0.699 0.007 . 2 . . . A 24 VAL HG13 . 18443 1 287 . 1 1 24 24 VAL HG21 H 1 0.100 0.008 . 2 . . . A 24 VAL HG21 . 18443 1 288 . 1 1 24 24 VAL HG22 H 1 0.100 0.008 . 2 . . . A 24 VAL HG22 . 18443 1 289 . 1 1 24 24 VAL HG23 H 1 0.100 0.008 . 2 . . . A 24 VAL HG23 . 18443 1 290 . 1 1 24 24 VAL C C 13 174.245 0.000 . 1 . . . A 24 VAL C . 18443 1 291 . 1 1 24 24 VAL CA C 13 61.753 0.048 . 1 . . . A 24 VAL CA . 18443 1 292 . 1 1 24 24 VAL CB C 13 31.821 0.050 . 1 . . . A 24 VAL CB . 18443 1 293 . 1 1 24 24 VAL CG1 C 13 21.523 0.027 . 2 . . . A 24 VAL CG1 . 18443 1 294 . 1 1 24 24 VAL CG2 C 13 24.115 0.027 . 2 . . . A 24 VAL CG2 . 18443 1 295 . 1 1 24 24 VAL N N 15 128.959 0.039 . 1 . . . A 24 VAL N . 18443 1 296 . 1 1 25 25 TYR H H 1 9.031 0.007 . 1 . . . A 25 TYR H . 18443 1 297 . 1 1 25 25 TYR HA H 1 5.227 0.012 . 1 . . . A 25 TYR HA . 18443 1 298 . 1 1 25 25 TYR HB2 H 1 2.698 0.014 . 2 . . . A 25 TYR HB2 . 18443 1 299 . 1 1 25 25 TYR HB3 H 1 3.203 0.019 . 2 . . . A 25 TYR HB3 . 18443 1 300 . 1 1 25 25 TYR HD1 H 1 6.133 0.006 . 3 . . . A 25 TYR HD1 . 18443 1 301 . 1 1 25 25 TYR HD2 H 1 6.133 0.006 . 3 . . . A 25 TYR HD2 . 18443 1 302 . 1 1 25 25 TYR HE1 H 1 6.467 0.003 . 3 . . . A 25 TYR HE1 . 18443 1 303 . 1 1 25 25 TYR HE2 H 1 6.467 0.003 . 3 . . . A 25 TYR HE2 . 18443 1 304 . 1 1 25 25 TYR C C 13 173.393 0.000 . 1 . . . A 25 TYR C . 18443 1 305 . 1 1 25 25 TYR CA C 13 53.083 0.075 . 1 . . . A 25 TYR CA . 18443 1 306 . 1 1 25 25 TYR CB C 13 39.518 0.053 . 1 . . . A 25 TYR CB . 18443 1 307 . 1 1 25 25 TYR CD1 C 13 131.222 0.060 . 3 . . . A 25 TYR CD1 . 18443 1 308 . 1 1 25 25 TYR CD2 C 13 131.222 0.060 . 3 . . . A 25 TYR CD2 . 18443 1 309 . 1 1 25 25 TYR CE1 C 13 118.608 0.046 . 3 . . . A 25 TYR CE1 . 18443 1 310 . 1 1 25 25 TYR CE2 C 13 118.608 0.046 . 3 . . . A 25 TYR CE2 . 18443 1 311 . 1 1 25 25 TYR N N 15 129.726 0.050 . 1 . . . A 25 TYR N . 18443 1 312 . 1 1 26 26 PHE H H 1 9.162 0.007 . 1 . . . A 26 PHE H . 18443 1 313 . 1 1 26 26 PHE HA H 1 5.095 0.015 . 1 . . . A 26 PHE HA . 18443 1 314 . 1 1 26 26 PHE HB2 H 1 3.035 0.010 . 2 . . . A 26 PHE HB2 . 18443 1 315 . 1 1 26 26 PHE HB3 H 1 2.478 0.010 . 2 . . . A 26 PHE HB3 . 18443 1 316 . 1 1 26 26 PHE HD1 H 1 6.894 0.010 . 3 . . . A 26 PHE HD1 . 18443 1 317 . 1 1 26 26 PHE HD2 H 1 6.894 0.010 . 3 . . . A 26 PHE HD2 . 18443 1 318 . 1 1 26 26 PHE HE1 H 1 6.693 0.009 . 3 . . . A 26 PHE HE1 . 18443 1 319 . 1 1 26 26 PHE HE2 H 1 6.693 0.009 . 3 . . . A 26 PHE HE2 . 18443 1 320 . 1 1 26 26 PHE HZ H 1 6.544 0.006 . 1 . . . A 26 PHE HZ . 18443 1 321 . 1 1 26 26 PHE C C 13 174.151 0.050 . 1 . . . A 26 PHE C . 18443 1 322 . 1 1 26 26 PHE CA C 13 57.438 0.073 . 1 . . . A 26 PHE CA . 18443 1 323 . 1 1 26 26 PHE CB C 13 39.624 0.054 . 1 . . . A 26 PHE CB . 18443 1 324 . 1 1 26 26 PHE CD1 C 13 132.159 0.043 . 3 . . . A 26 PHE CD1 . 18443 1 325 . 1 1 26 26 PHE CD2 C 13 132.159 0.043 . 3 . . . A 26 PHE CD2 . 18443 1 326 . 1 1 26 26 PHE CE1 C 13 130.612 0.073 . 3 . . . A 26 PHE CE1 . 18443 1 327 . 1 1 26 26 PHE CE2 C 13 130.612 0.073 . 3 . . . A 26 PHE CE2 . 18443 1 328 . 1 1 26 26 PHE CZ C 13 129.014 0.062 . 1 . . . A 26 PHE CZ . 18443 1 329 . 1 1 26 26 PHE N N 15 126.719 0.054 . 1 . . . A 26 PHE N . 18443 1 330 . 1 1 27 27 HIS H H 1 8.168 0.007 . 1 . . . A 27 HIS H . 18443 1 331 . 1 1 27 27 HIS HA H 1 5.162 0.020 . 1 . . . A 27 HIS HA . 18443 1 332 . 1 1 27 27 HIS HB2 H 1 2.602 0.009 . 2 . . . A 27 HIS HB2 . 18443 1 333 . 1 1 27 27 HIS HB3 H 1 1.928 0.009 . 2 . . . A 27 HIS HB3 . 18443 1 334 . 1 1 27 27 HIS HD2 H 1 5.834 0.014 . 1 . . . A 27 HIS HD2 . 18443 1 335 . 1 1 27 27 HIS HE1 H 1 7.460 0.005 . 1 . . . A 27 HIS HE1 . 18443 1 336 . 1 1 27 27 HIS C C 13 173.044 0.041 . 1 . . . A 27 HIS C . 18443 1 337 . 1 1 27 27 HIS CA C 13 53.460 0.060 . 1 . . . A 27 HIS CA . 18443 1 338 . 1 1 27 27 HIS CB C 13 35.088 0.087 . 1 . . . A 27 HIS CB . 18443 1 339 . 1 1 27 27 HIS CD2 C 13 119.933 0.071 . 1 . . . A 27 HIS CD2 . 18443 1 340 . 1 1 27 27 HIS CE1 C 13 137.671 0.048 . 1 . . . A 27 HIS CE1 . 18443 1 341 . 1 1 27 27 HIS N N 15 118.311 0.041 . 1 . . . A 27 HIS N . 18443 1 342 . 1 1 28 28 SER H H 1 7.545 0.005 . 1 . . . A 28 SER H . 18443 1 343 . 1 1 28 28 SER HA H 1 4.790 0.014 . 1 . . . A 28 SER HA . 18443 1 344 . 1 1 28 28 SER HB2 H 1 3.728 0.004 . 2 . . . A 28 SER HB2 . 18443 1 345 . 1 1 28 28 SER HB3 H 1 3.365 0.003 . 2 . . . A 28 SER HB3 . 18443 1 346 . 1 1 28 28 SER C C 13 176.815 0.000 . 1 . . . A 28 SER C . 18443 1 347 . 1 1 28 28 SER CA C 13 56.260 0.097 . 1 . . . A 28 SER CA . 18443 1 348 . 1 1 28 28 SER CB C 13 65.470 0.022 . 1 . . . A 28 SER CB . 18443 1 349 . 1 1 28 28 SER N N 15 112.150 0.072 . 1 . . . A 28 SER N . 18443 1 350 . 1 1 29 29 GLU H H 1 9.681 0.004 . 1 . . . A 29 GLU H . 18443 1 351 . 1 1 29 29 GLU HA H 1 4.100 0.007 . 1 . . . A 29 GLU HA . 18443 1 352 . 1 1 29 29 GLU HB2 H 1 1.761 0.012 . 1 . . . A 29 GLU HB2 . 18443 1 353 . 1 1 29 29 GLU HB3 H 1 1.761 0.012 . 1 . . . A 29 GLU HB3 . 18443 1 354 . 1 1 29 29 GLU HG2 H 1 2.080 0.011 . 2 . . . A 29 GLU HG2 . 18443 1 355 . 1 1 29 29 GLU HG3 H 1 2.034 0.004 . 2 . . . A 29 GLU HG3 . 18443 1 356 . 1 1 29 29 GLU C C 13 176.980 0.036 . 1 . . . A 29 GLU C . 18443 1 357 . 1 1 29 29 GLU CA C 13 58.670 0.041 . 1 . . . A 29 GLU CA . 18443 1 358 . 1 1 29 29 GLU CB C 13 29.639 0.051 . 1 . . . A 29 GLU CB . 18443 1 359 . 1 1 29 29 GLU CG C 13 36.205 0.043 . 1 . . . A 29 GLU CG . 18443 1 360 . 1 1 29 29 GLU N N 15 130.603 0.054 . 1 . . . A 29 GLU N . 18443 1 361 . 1 1 30 30 HIS H H 1 8.226 0.005 . 1 . . . A 30 HIS H . 18443 1 362 . 1 1 30 30 HIS HA H 1 4.694 0.012 . 1 . . . A 30 HIS HA . 18443 1 363 . 1 1 30 30 HIS HB2 H 1 2.990 0.017 . 2 . . . A 30 HIS HB2 . 18443 1 364 . 1 1 30 30 HIS HB3 H 1 3.397 0.004 . 2 . . . A 30 HIS HB3 . 18443 1 365 . 1 1 30 30 HIS HD2 H 1 7.136 0.009 . 1 . . . A 30 HIS HD2 . 18443 1 366 . 1 1 30 30 HIS HE1 H 1 8.263 0.000 . 1 . . . A 30 HIS HE1 . 18443 1 367 . 1 1 30 30 HIS C C 13 173.679 0.028 . 1 . . . A 30 HIS C . 18443 1 368 . 1 1 30 30 HIS CA C 13 54.393 0.023 . 1 . . . A 30 HIS CA . 18443 1 369 . 1 1 30 30 HIS CB C 13 29.372 0.044 . 1 . . . A 30 HIS CB . 18443 1 370 . 1 1 30 30 HIS CD2 C 13 120.043 0.058 . 1 . . . A 30 HIS CD2 . 18443 1 371 . 1 1 30 30 HIS CE1 C 13 137.580 0.013 . 1 . . . A 30 HIS CE1 . 18443 1 372 . 1 1 30 30 HIS N N 15 114.752 0.041 . 1 . . . A 30 HIS N . 18443 1 373 . 1 1 31 31 CYS H H 1 7.091 0.004 . 1 . . . A 31 CYS H . 18443 1 374 . 1 1 31 31 CYS HA H 1 4.946 0.011 . 1 . . . A 31 CYS HA . 18443 1 375 . 1 1 31 31 CYS HB2 H 1 3.069 0.007 . 2 . . . A 31 CYS HB2 . 18443 1 376 . 1 1 31 31 CYS HB3 H 1 2.862 0.003 . 2 . . . A 31 CYS HB3 . 18443 1 377 . 1 1 31 31 CYS C C 13 175.771 0.050 . 1 . . . A 31 CYS C . 18443 1 378 . 1 1 31 31 CYS CA C 13 56.116 0.053 . 1 . . . A 31 CYS CA . 18443 1 379 . 1 1 31 31 CYS CB C 13 31.415 0.035 . 1 . . . A 31 CYS CB . 18443 1 380 . 1 1 31 31 CYS N N 15 124.685 0.052 . 1 . . . A 31 CYS N . 18443 1 381 . 1 1 32 32 PRO HA H 1 4.334 0.005 . 1 . . . A 32 PRO HA . 18443 1 382 . 1 1 32 32 PRO HB2 H 1 2.202 0.011 . 2 . . . A 32 PRO HB2 . 18443 1 383 . 1 1 32 32 PRO HB3 H 1 1.579 0.005 . 2 . . . A 32 PRO HB3 . 18443 1 384 . 1 1 32 32 PRO HG2 H 1 1.937 0.007 . 1 . . . A 32 PRO HG2 . 18443 1 385 . 1 1 32 32 PRO HG3 H 1 1.937 0.007 . 1 . . . A 32 PRO HG3 . 18443 1 386 . 1 1 32 32 PRO HD2 H 1 4.111 0.011 . 2 . . . A 32 PRO HD2 . 18443 1 387 . 1 1 32 32 PRO HD3 H 1 4.038 0.009 . 2 . . . A 32 PRO HD3 . 18443 1 388 . 1 1 32 32 PRO C C 13 179.352 0.021 . 1 . . . A 32 PRO C . 18443 1 389 . 1 1 32 32 PRO CA C 13 64.193 0.096 . 1 . . . A 32 PRO CA . 18443 1 390 . 1 1 32 32 PRO CB C 13 32.072 0.039 . 1 . . . A 32 PRO CB . 18443 1 391 . 1 1 32 32 PRO CG C 13 26.561 0.025 . 1 . . . A 32 PRO CG . 18443 1 392 . 1 1 32 32 PRO CD C 13 51.449 0.066 . 1 . . . A 32 PRO CD . 18443 1 393 . 1 1 33 33 TYR H H 1 8.621 0.010 . 1 . . . A 33 TYR H . 18443 1 394 . 1 1 33 33 TYR HA H 1 4.495 0.005 . 1 . . . A 33 TYR HA . 18443 1 395 . 1 1 33 33 TYR HB2 H 1 3.148 0.008 . 2 . . . A 33 TYR HB2 . 18443 1 396 . 1 1 33 33 TYR HB3 H 1 3.236 0.015 . 2 . . . A 33 TYR HB3 . 18443 1 397 . 1 1 33 33 TYR HD1 H 1 7.368 0.007 . 3 . . . A 33 TYR HD1 . 18443 1 398 . 1 1 33 33 TYR HD2 H 1 7.368 0.007 . 3 . . . A 33 TYR HD2 . 18443 1 399 . 1 1 33 33 TYR HE1 H 1 7.001 0.002 . 3 . . . A 33 TYR HE1 . 18443 1 400 . 1 1 33 33 TYR HE2 H 1 7.001 0.002 . 3 . . . A 33 TYR HE2 . 18443 1 401 . 1 1 33 33 TYR C C 13 179.457 0.000 . 1 . . . A 33 TYR C . 18443 1 402 . 1 1 33 33 TYR CA C 13 60.880 0.054 . 1 . . . A 33 TYR CA . 18443 1 403 . 1 1 33 33 TYR CB C 13 38.345 0.067 . 1 . . . A 33 TYR CB . 18443 1 404 . 1 1 33 33 TYR CD1 C 13 133.154 0.064 . 3 . . . A 33 TYR CD1 . 18443 1 405 . 1 1 33 33 TYR CD2 C 13 133.154 0.064 . 3 . . . A 33 TYR CD2 . 18443 1 406 . 1 1 33 33 TYR CE1 C 13 118.814 0.073 . 3 . . . A 33 TYR CE1 . 18443 1 407 . 1 1 33 33 TYR CE2 C 13 118.814 0.073 . 3 . . . A 33 TYR CE2 . 18443 1 408 . 1 1 33 33 TYR N N 15 125.092 0.058 . 1 . . . A 33 TYR N . 18443 1 409 . 1 1 34 34 CYS H H 1 9.440 0.004 . 1 . . . A 34 CYS H . 18443 1 410 . 1 1 34 34 CYS HA H 1 4.335 0.008 . 1 . . . A 34 CYS HA . 18443 1 411 . 1 1 34 34 CYS HB2 H 1 3.568 0.007 . 2 . . . A 34 CYS HB2 . 18443 1 412 . 1 1 34 34 CYS HB3 H 1 3.072 0.010 . 2 . . . A 34 CYS HB3 . 18443 1 413 . 1 1 34 34 CYS C C 13 176.672 0.020 . 1 . . . A 34 CYS C . 18443 1 414 . 1 1 34 34 CYS CA C 13 64.159 0.071 . 1 . . . A 34 CYS CA . 18443 1 415 . 1 1 34 34 CYS CB C 13 28.877 0.038 . 1 . . . A 34 CYS CB . 18443 1 416 . 1 1 34 34 CYS N N 15 127.272 0.059 . 1 . . . A 34 CYS N . 18443 1 417 . 1 1 35 35 GLN H H 1 7.866 0.005 . 1 . . . A 35 GLN H . 18443 1 418 . 1 1 35 35 GLN HA H 1 4.059 0.003 . 1 . . . A 35 GLN HA . 18443 1 419 . 1 1 35 35 GLN HB2 H 1 2.156 0.003 . 1 . . . A 35 GLN HB2 . 18443 1 420 . 1 1 35 35 GLN HB3 H 1 2.156 0.003 . 1 . . . A 35 GLN HB3 . 18443 1 421 . 1 1 35 35 GLN HG2 H 1 2.514 0.006 . 2 . . . A 35 GLN HG2 . 18443 1 422 . 1 1 35 35 GLN HG3 H 1 2.467 0.007 . 2 . . . A 35 GLN HG3 . 18443 1 423 . 1 1 35 35 GLN HE21 H 1 7.256 0.003 . 1 . . . A 35 GLN HE21 . 18443 1 424 . 1 1 35 35 GLN HE22 H 1 6.867 0.004 . 1 . . . A 35 GLN HE22 . 18443 1 425 . 1 1 35 35 GLN CA C 13 59.374 0.039 . 1 . . . A 35 GLN CA . 18443 1 426 . 1 1 35 35 GLN CB C 13 27.576 0.015 . 1 . . . A 35 GLN CB . 18443 1 427 . 1 1 35 35 GLN CG C 13 33.198 0.033 . 1 . . . A 35 GLN CG . 18443 1 428 . 1 1 35 35 GLN N N 15 118.373 0.053 . 1 . . . A 35 GLN N . 18443 1 429 . 1 1 35 35 GLN NE2 N 15 111.345 0.037 . 1 . . . A 35 GLN NE2 . 18443 1 430 . 1 1 36 36 GLN HA H 1 4.246 0.006 . 1 . . . A 36 GLN HA . 18443 1 431 . 1 1 36 36 GLN HB2 H 1 2.479 0.009 . 2 . . . A 36 GLN HB2 . 18443 1 432 . 1 1 36 36 GLN HB3 H 1 2.397 0.007 . 2 . . . A 36 GLN HB3 . 18443 1 433 . 1 1 36 36 GLN HG2 H 1 2.646 0.005 . 2 . . . A 36 GLN HG2 . 18443 1 434 . 1 1 36 36 GLN HG3 H 1 2.530 0.004 . 2 . . . A 36 GLN HG3 . 18443 1 435 . 1 1 36 36 GLN HE21 H 1 7.373 0.004 . 1 . . . A 36 GLN HE21 . 18443 1 436 . 1 1 36 36 GLN HE22 H 1 6.709 0.005 . 1 . . . A 36 GLN HE22 . 18443 1 437 . 1 1 36 36 GLN C C 13 178.881 0.050 . 1 . . . A 36 GLN C . 18443 1 438 . 1 1 36 36 GLN CA C 13 59.626 0.083 . 1 . . . A 36 GLN CA . 18443 1 439 . 1 1 36 36 GLN CB C 13 28.605 0.028 . 1 . . . A 36 GLN CB . 18443 1 440 . 1 1 36 36 GLN CG C 13 33.840 0.028 . 1 . . . A 36 GLN CG . 18443 1 441 . 1 1 36 36 GLN NE2 N 15 110.570 0.046 . 1 . . . A 36 GLN NE2 . 18443 1 442 . 1 1 37 37 MET H H 1 8.125 0.004 . 1 . . . A 37 MET H . 18443 1 443 . 1 1 37 37 MET HA H 1 4.488 0.007 . 1 . . . A 37 MET HA . 18443 1 444 . 1 1 37 37 MET HB2 H 1 2.624 0.008 . 2 . . . A 37 MET HB2 . 18443 1 445 . 1 1 37 37 MET HB3 H 1 1.807 0.008 . 2 . . . A 37 MET HB3 . 18443 1 446 . 1 1 37 37 MET HE1 H 1 1.375 0.005 . 1 . . . A 37 MET HE1 . 18443 1 447 . 1 1 37 37 MET HE2 H 1 1.375 0.005 . 1 . . . A 37 MET HE2 . 18443 1 448 . 1 1 37 37 MET HE3 H 1 1.375 0.005 . 1 . . . A 37 MET HE3 . 18443 1 449 . 1 1 37 37 MET C C 13 179.838 0.000 . 1 . . . A 37 MET C . 18443 1 450 . 1 1 37 37 MET CA C 13 57.229 0.114 . 1 . . . A 37 MET CA . 18443 1 451 . 1 1 37 37 MET CB C 13 29.983 0.048 . 1 . . . A 37 MET CB . 18443 1 452 . 1 1 37 37 MET CE C 13 16.253 0.009 . 1 . . . A 37 MET CE . 18443 1 453 . 1 1 37 37 MET N N 15 117.759 0.058 . 1 . . . A 37 MET N . 18443 1 454 . 1 1 38 38 ASN H H 1 9.245 0.003 . 1 . . . A 38 ASN H . 18443 1 455 . 1 1 38 38 ASN HA H 1 4.362 0.006 . 1 . . . A 38 ASN HA . 18443 1 456 . 1 1 38 38 ASN HB2 H 1 2.893 0.005 . 2 . . . A 38 ASN HB2 . 18443 1 457 . 1 1 38 38 ASN HB3 H 1 3.017 0.007 . 2 . . . A 38 ASN HB3 . 18443 1 458 . 1 1 38 38 ASN HD21 H 1 7.379 0.006 . 1 . . . A 38 ASN HD21 . 18443 1 459 . 1 1 38 38 ASN HD22 H 1 6.680 0.008 . 1 . . . A 38 ASN HD22 . 18443 1 460 . 1 1 38 38 ASN C C 13 177.355 0.050 . 1 . . . A 38 ASN C . 18443 1 461 . 1 1 38 38 ASN CA C 13 56.435 0.104 . 1 . . . A 38 ASN CA . 18443 1 462 . 1 1 38 38 ASN CB C 13 37.512 0.034 . 1 . . . A 38 ASN CB . 18443 1 463 . 1 1 38 38 ASN N N 15 122.249 0.030 . 1 . . . A 38 ASN N . 18443 1 464 . 1 1 38 38 ASN ND2 N 15 109.142 0.025 . 1 . . . A 38 ASN ND2 . 18443 1 465 . 1 1 39 39 THR H H 1 8.034 0.005 . 1 . . . A 39 THR H . 18443 1 466 . 1 1 39 39 THR HA H 1 3.853 0.004 . 1 . . . A 39 THR HA . 18443 1 467 . 1 1 39 39 THR HB H 1 3.693 0.008 . 1 . . . A 39 THR HB . 18443 1 468 . 1 1 39 39 THR HG21 H 1 0.476 0.010 . 1 . . . A 39 THR HG21 . 18443 1 469 . 1 1 39 39 THR HG22 H 1 0.476 0.010 . 1 . . . A 39 THR HG22 . 18443 1 470 . 1 1 39 39 THR HG23 H 1 0.476 0.010 . 1 . . . A 39 THR HG23 . 18443 1 471 . 1 1 39 39 THR C C 13 176.277 0.000 . 1 . . . A 39 THR C . 18443 1 472 . 1 1 39 39 THR CA C 13 65.843 0.150 . 1 . . . A 39 THR CA . 18443 1 473 . 1 1 39 39 THR CB C 13 69.595 0.024 . 1 . . . A 39 THR CB . 18443 1 474 . 1 1 39 39 THR CG2 C 13 20.961 0.030 . 1 . . . A 39 THR CG2 . 18443 1 475 . 1 1 39 39 THR N N 15 113.554 0.032 . 1 . . . A 39 THR N . 18443 1 476 . 1 1 40 40 PHE H H 1 8.309 0.005 . 1 . . . A 40 PHE H . 18443 1 477 . 1 1 40 40 PHE HA H 1 4.820 0.006 . 1 . . . A 40 PHE HA . 18443 1 478 . 1 1 40 40 PHE HB2 H 1 3.072 0.009 . 2 . . . A 40 PHE HB2 . 18443 1 479 . 1 1 40 40 PHE HB3 H 1 3.387 0.008 . 2 . . . A 40 PHE HB3 . 18443 1 480 . 1 1 40 40 PHE HD1 H 1 7.502 0.008 . 3 . . . A 40 PHE HD1 . 18443 1 481 . 1 1 40 40 PHE HD2 H 1 7.502 0.008 . 3 . . . A 40 PHE HD2 . 18443 1 482 . 1 1 40 40 PHE HE1 H 1 7.447 0.003 . 3 . . . A 40 PHE HE1 . 18443 1 483 . 1 1 40 40 PHE HE2 H 1 7.447 0.003 . 3 . . . A 40 PHE HE2 . 18443 1 484 . 1 1 40 40 PHE HZ H 1 7.391 0.003 . 1 . . . A 40 PHE HZ . 18443 1 485 . 1 1 40 40 PHE C C 13 176.255 0.050 . 1 . . . A 40 PHE C . 18443 1 486 . 1 1 40 40 PHE CA C 13 59.715 0.109 . 1 . . . A 40 PHE CA . 18443 1 487 . 1 1 40 40 PHE CB C 13 40.885 0.049 . 1 . . . A 40 PHE CB . 18443 1 488 . 1 1 40 40 PHE CD1 C 13 132.021 0.073 . 3 . . . A 40 PHE CD1 . 18443 1 489 . 1 1 40 40 PHE CD2 C 13 132.021 0.073 . 3 . . . A 40 PHE CD2 . 18443 1 490 . 1 1 40 40 PHE CE1 C 13 131.836 0.103 . 3 . . . A 40 PHE CE1 . 18443 1 491 . 1 1 40 40 PHE CE2 C 13 131.836 0.103 . 3 . . . A 40 PHE CE2 . 18443 1 492 . 1 1 40 40 PHE CZ C 13 130.506 0.050 . 1 . . . A 40 PHE CZ . 18443 1 493 . 1 1 40 40 PHE N N 15 116.394 0.036 . 1 . . . A 40 PHE N . 18443 1 494 . 1 1 41 41 VAL H H 1 7.678 0.004 . 1 . . . A 41 VAL H . 18443 1 495 . 1 1 41 41 VAL HA H 1 4.306 0.004 . 1 . . . A 41 VAL HA . 18443 1 496 . 1 1 41 41 VAL HB H 1 2.243 0.007 . 1 . . . A 41 VAL HB . 18443 1 497 . 1 1 41 41 VAL HG11 H 1 1.144 0.005 . 2 . . . A 41 VAL HG11 . 18443 1 498 . 1 1 41 41 VAL HG12 H 1 1.144 0.005 . 2 . . . A 41 VAL HG12 . 18443 1 499 . 1 1 41 41 VAL HG13 H 1 1.144 0.005 . 2 . . . A 41 VAL HG13 . 18443 1 500 . 1 1 41 41 VAL HG21 H 1 0.592 0.006 . 2 . . . A 41 VAL HG21 . 18443 1 501 . 1 1 41 41 VAL HG22 H 1 0.592 0.006 . 2 . . . A 41 VAL HG22 . 18443 1 502 . 1 1 41 41 VAL HG23 H 1 0.592 0.006 . 2 . . . A 41 VAL HG23 . 18443 1 503 . 1 1 41 41 VAL C C 13 176.704 0.071 . 1 . . . A 41 VAL C . 18443 1 504 . 1 1 41 41 VAL CA C 13 65.839 0.117 . 1 . . . A 41 VAL CA . 18443 1 505 . 1 1 41 41 VAL CB C 13 33.639 0.048 . 1 . . . A 41 VAL CB . 18443 1 506 . 1 1 41 41 VAL CG1 C 13 21.842 0.047 . 2 . . . A 41 VAL CG1 . 18443 1 507 . 1 1 41 41 VAL CG2 C 13 23.379 0.028 . 2 . . . A 41 VAL CG2 . 18443 1 508 . 1 1 41 41 VAL N N 15 117.246 0.042 . 1 . . . A 41 VAL N . 18443 1 509 . 1 1 42 42 LEU H H 1 8.882 0.005 . 1 . . . A 42 LEU H . 18443 1 510 . 1 1 42 42 LEU HA H 1 3.948 0.007 . 1 . . . A 42 LEU HA . 18443 1 511 . 1 1 42 42 LEU HB2 H 1 1.948 0.006 . 2 . . . A 42 LEU HB2 . 18443 1 512 . 1 1 42 42 LEU HB3 H 1 1.621 0.007 . 2 . . . A 42 LEU HB3 . 18443 1 513 . 1 1 42 42 LEU HG H 1 1.319 0.011 . 1 . . . A 42 LEU HG . 18443 1 514 . 1 1 42 42 LEU HD11 H 1 0.732 0.006 . 2 . . . A 42 LEU HD11 . 18443 1 515 . 1 1 42 42 LEU HD12 H 1 0.732 0.006 . 2 . . . A 42 LEU HD12 . 18443 1 516 . 1 1 42 42 LEU HD13 H 1 0.732 0.006 . 2 . . . A 42 LEU HD13 . 18443 1 517 . 1 1 42 42 LEU HD21 H 1 0.514 0.009 . 2 . . . A 42 LEU HD21 . 18443 1 518 . 1 1 42 42 LEU HD22 H 1 0.514 0.009 . 2 . . . A 42 LEU HD22 . 18443 1 519 . 1 1 42 42 LEU HD23 H 1 0.514 0.009 . 2 . . . A 42 LEU HD23 . 18443 1 520 . 1 1 42 42 LEU C C 13 175.837 0.000 . 1 . . . A 42 LEU C . 18443 1 521 . 1 1 42 42 LEU CA C 13 57.296 0.103 . 1 . . . A 42 LEU CA . 18443 1 522 . 1 1 42 42 LEU CB C 13 41.115 0.022 . 1 . . . A 42 LEU CB . 18443 1 523 . 1 1 42 42 LEU CG C 13 28.102 0.037 . 1 . . . A 42 LEU CG . 18443 1 524 . 1 1 42 42 LEU CD1 C 13 26.090 0.021 . 2 . . . A 42 LEU CD1 . 18443 1 525 . 1 1 42 42 LEU CD2 C 13 23.339 0.028 . 2 . . . A 42 LEU CD2 . 18443 1 526 . 1 1 42 42 LEU N N 15 117.179 0.046 . 1 . . . A 42 LEU N . 18443 1 527 . 1 1 43 43 SER H H 1 6.785 0.004 . 1 . . . A 43 SER H . 18443 1 528 . 1 1 43 43 SER HA H 1 4.408 0.002 . 1 . . . A 43 SER HA . 18443 1 529 . 1 1 43 43 SER HB2 H 1 3.993 0.004 . 2 . . . A 43 SER HB2 . 18443 1 530 . 1 1 43 43 SER HB3 H 1 3.849 0.006 . 2 . . . A 43 SER HB3 . 18443 1 531 . 1 1 43 43 SER C C 13 175.397 0.050 . 1 . . . A 43 SER C . 18443 1 532 . 1 1 43 43 SER CA C 13 57.144 0.139 . 1 . . . A 43 SER CA . 18443 1 533 . 1 1 43 43 SER CB C 13 64.117 0.028 . 1 . . . A 43 SER CB . 18443 1 534 . 1 1 43 43 SER N N 15 105.494 0.040 . 1 . . . A 43 SER N . 18443 1 535 . 1 1 44 44 ASP H H 1 7.443 0.003 . 1 . . . A 44 ASP H . 18443 1 536 . 1 1 44 44 ASP HA H 1 4.811 0.004 . 1 . . . A 44 ASP HA . 18443 1 537 . 1 1 44 44 ASP HB2 H 1 3.021 0.009 . 2 . . . A 44 ASP HB2 . 18443 1 538 . 1 1 44 44 ASP HB3 H 1 2.778 0.005 . 2 . . . A 44 ASP HB3 . 18443 1 539 . 1 1 44 44 ASP C C 13 175.644 0.050 . 1 . . . A 44 ASP C . 18443 1 540 . 1 1 44 44 ASP CA C 13 52.673 0.060 . 1 . . . A 44 ASP CA . 18443 1 541 . 1 1 44 44 ASP CB C 13 43.673 0.023 . 1 . . . A 44 ASP CB . 18443 1 542 . 1 1 44 44 ASP N N 15 126.617 0.041 . 1 . . . A 44 ASP N . 18443 1 543 . 1 1 45 45 PRO HA H 1 4.352 0.005 . 1 . . . A 45 PRO HA . 18443 1 544 . 1 1 45 45 PRO HB2 H 1 2.424 0.005 . 2 . . . A 45 PRO HB2 . 18443 1 545 . 1 1 45 45 PRO HB3 H 1 2.016 0.009 . 2 . . . A 45 PRO HB3 . 18443 1 546 . 1 1 45 45 PRO HG2 H 1 2.193 0.007 . 2 . . . A 45 PRO HG2 . 18443 1 547 . 1 1 45 45 PRO HG3 H 1 2.097 0.007 . 2 . . . A 45 PRO HG3 . 18443 1 548 . 1 1 45 45 PRO HD2 H 1 4.085 0.009 . 2 . . . A 45 PRO HD2 . 18443 1 549 . 1 1 45 45 PRO HD3 H 1 3.893 0.005 . 2 . . . A 45 PRO HD3 . 18443 1 550 . 1 1 45 45 PRO C C 13 178.792 0.016 . 1 . . . A 45 PRO C . 18443 1 551 . 1 1 45 45 PRO CA C 13 65.759 0.072 . 1 . . . A 45 PRO CA . 18443 1 552 . 1 1 45 45 PRO CB C 13 32.339 0.051 . 1 . . . A 45 PRO CB . 18443 1 553 . 1 1 45 45 PRO CG C 13 27.793 0.027 . 1 . . . A 45 PRO CG . 18443 1 554 . 1 1 45 45 PRO CD C 13 51.480 0.068 . 1 . . . A 45 PRO CD . 18443 1 555 . 1 1 46 46 GLY H H 1 8.161 0.003 . 1 . . . A 46 GLY H . 18443 1 556 . 1 1 46 46 GLY HA2 H 1 3.891 0.006 . 2 . . . A 46 GLY HA2 . 18443 1 557 . 1 1 46 46 GLY HA3 H 1 3.842 0.009 . 2 . . . A 46 GLY HA3 . 18443 1 558 . 1 1 46 46 GLY C C 13 176.799 0.037 . 1 . . . A 46 GLY C . 18443 1 559 . 1 1 46 46 GLY CA C 13 47.028 0.112 . 1 . . . A 46 GLY CA . 18443 1 560 . 1 1 46 46 GLY N N 15 107.270 0.061 . 1 . . . A 46 GLY N . 18443 1 561 . 1 1 47 47 VAL H H 1 8.344 0.004 . 1 . . . A 47 VAL H . 18443 1 562 . 1 1 47 47 VAL HA H 1 3.595 0.007 . 1 . . . A 47 VAL HA . 18443 1 563 . 1 1 47 47 VAL HB H 1 2.539 0.010 . 1 . . . A 47 VAL HB . 18443 1 564 . 1 1 47 47 VAL HG11 H 1 1.209 0.006 . 2 . . . A 47 VAL HG11 . 18443 1 565 . 1 1 47 47 VAL HG12 H 1 1.209 0.006 . 2 . . . A 47 VAL HG12 . 18443 1 566 . 1 1 47 47 VAL HG13 H 1 1.209 0.006 . 2 . . . A 47 VAL HG13 . 18443 1 567 . 1 1 47 47 VAL HG21 H 1 0.972 0.005 . 2 . . . A 47 VAL HG21 . 18443 1 568 . 1 1 47 47 VAL HG22 H 1 0.972 0.005 . 2 . . . A 47 VAL HG22 . 18443 1 569 . 1 1 47 47 VAL HG23 H 1 0.972 0.005 . 2 . . . A 47 VAL HG23 . 18443 1 570 . 1 1 47 47 VAL C C 13 177.886 0.021 . 1 . . . A 47 VAL C . 18443 1 571 . 1 1 47 47 VAL CA C 13 66.500 0.069 . 1 . . . A 47 VAL CA . 18443 1 572 . 1 1 47 47 VAL CB C 13 32.425 0.026 . 1 . . . A 47 VAL CB . 18443 1 573 . 1 1 47 47 VAL CG1 C 13 23.104 0.020 . 2 . . . A 47 VAL CG1 . 18443 1 574 . 1 1 47 47 VAL CG2 C 13 22.359 0.036 . 2 . . . A 47 VAL CG2 . 18443 1 575 . 1 1 47 47 VAL N N 15 124.473 0.029 . 1 . . . A 47 VAL N . 18443 1 576 . 1 1 48 48 SER H H 1 9.023 0.004 . 1 . . . A 48 SER H . 18443 1 577 . 1 1 48 48 SER HA H 1 4.053 0.004 . 1 . . . A 48 SER HA . 18443 1 578 . 1 1 48 48 SER HB2 H 1 3.981 0.004 . 1 . . . A 48 SER HB2 . 18443 1 579 . 1 1 48 48 SER HB3 H 1 3.981 0.005 . 1 . . . A 48 SER HB3 . 18443 1 580 . 1 1 48 48 SER C C 13 176.889 0.050 . 1 . . . A 48 SER C . 18443 1 581 . 1 1 48 48 SER CA C 13 62.777 0.144 . 1 . . . A 48 SER CA . 18443 1 582 . 1 1 48 48 SER CB C 13 62.884 0.058 . 1 . . . A 48 SER CB . 18443 1 583 . 1 1 48 48 SER N N 15 113.807 0.046 . 1 . . . A 48 SER N . 18443 1 584 . 1 1 49 49 ARG H H 1 8.081 0.004 . 1 . . . A 49 ARG H . 18443 1 585 . 1 1 49 49 ARG HA H 1 4.164 0.006 . 1 . . . A 49 ARG HA . 18443 1 586 . 1 1 49 49 ARG HB2 H 1 1.922 0.011 . 2 . . . A 49 ARG HB2 . 18443 1 587 . 1 1 49 49 ARG HB3 H 1 2.080 0.006 . 2 . . . A 49 ARG HB3 . 18443 1 588 . 1 1 49 49 ARG HG2 H 1 1.868 0.009 . 2 . . . A 49 ARG HG2 . 18443 1 589 . 1 1 49 49 ARG HG3 H 1 1.753 0.003 . 2 . . . A 49 ARG HG3 . 18443 1 590 . 1 1 49 49 ARG HD2 H 1 3.266 0.005 . 1 . . . A 49 ARG HD2 . 18443 1 591 . 1 1 49 49 ARG HD3 H 1 3.266 0.005 . 1 . . . A 49 ARG HD3 . 18443 1 592 . 1 1 49 49 ARG C C 13 179.398 0.033 . 1 . . . A 49 ARG C . 18443 1 593 . 1 1 49 49 ARG CA C 13 59.558 0.104 . 1 . . . A 49 ARG CA . 18443 1 594 . 1 1 49 49 ARG CB C 13 30.247 0.028 . 1 . . . A 49 ARG CB . 18443 1 595 . 1 1 49 49 ARG CG C 13 27.809 0.033 . 1 . . . A 49 ARG CG . 18443 1 596 . 1 1 49 49 ARG CD C 13 43.468 0.020 . 1 . . . A 49 ARG CD . 18443 1 597 . 1 1 49 49 ARG N N 15 119.875 0.047 . 1 . . . A 49 ARG N . 18443 1 598 . 1 1 50 50 LEU H H 1 7.291 0.005 . 1 . . . A 50 LEU H . 18443 1 599 . 1 1 50 50 LEU HA H 1 4.379 0.002 . 1 . . . A 50 LEU HA . 18443 1 600 . 1 1 50 50 LEU HB2 H 1 1.866 0.006 . 2 . . . A 50 LEU HB2 . 18443 1 601 . 1 1 50 50 LEU HB3 H 1 1.682 0.007 . 2 . . . A 50 LEU HB3 . 18443 1 602 . 1 1 50 50 LEU HG H 1 1.684 0.005 . 1 . . . A 50 LEU HG . 18443 1 603 . 1 1 50 50 LEU HD11 H 1 0.926 0.007 . 2 . . . A 50 LEU HD11 . 18443 1 604 . 1 1 50 50 LEU HD12 H 1 0.926 0.007 . 2 . . . A 50 LEU HD12 . 18443 1 605 . 1 1 50 50 LEU HD13 H 1 0.926 0.007 . 2 . . . A 50 LEU HD13 . 18443 1 606 . 1 1 50 50 LEU HD21 H 1 1.060 0.004 . 2 . . . A 50 LEU HD21 . 18443 1 607 . 1 1 50 50 LEU HD22 H 1 1.060 0.004 . 2 . . . A 50 LEU HD22 . 18443 1 608 . 1 1 50 50 LEU HD23 H 1 1.060 0.004 . 2 . . . A 50 LEU HD23 . 18443 1 609 . 1 1 50 50 LEU C C 13 179.482 0.000 . 1 . . . A 50 LEU C . 18443 1 610 . 1 1 50 50 LEU CA C 13 58.206 0.096 . 1 . . . A 50 LEU CA . 18443 1 611 . 1 1 50 50 LEU CB C 13 41.835 0.042 . 1 . . . A 50 LEU CB . 18443 1 612 . 1 1 50 50 LEU CG C 13 28.024 0.084 . 1 . . . A 50 LEU CG . 18443 1 613 . 1 1 50 50 LEU CD1 C 13 26.998 0.049 . 2 . . . A 50 LEU CD1 . 18443 1 614 . 1 1 50 50 LEU CD2 C 13 24.225 0.022 . 2 . . . A 50 LEU CD2 . 18443 1 615 . 1 1 50 50 LEU N N 15 121.717 0.039 . 1 . . . A 50 LEU N . 18443 1 616 . 1 1 51 51 LEU H H 1 8.358 0.009 . 1 . . . A 51 LEU H . 18443 1 617 . 1 1 51 51 LEU HA H 1 4.290 0.011 . 1 . . . A 51 LEU HA . 18443 1 618 . 1 1 51 51 LEU HB2 H 1 2.146 0.006 . 2 . . . A 51 LEU HB2 . 18443 1 619 . 1 1 51 51 LEU HB3 H 1 1.243 0.011 . 2 . . . A 51 LEU HB3 . 18443 1 620 . 1 1 51 51 LEU HG H 1 1.802 0.010 . 1 . . . A 51 LEU HG . 18443 1 621 . 1 1 51 51 LEU HD11 H 1 0.779 0.005 . 2 . . . A 51 LEU HD11 . 18443 1 622 . 1 1 51 51 LEU HD12 H 1 0.779 0.005 . 2 . . . A 51 LEU HD12 . 18443 1 623 . 1 1 51 51 LEU HD13 H 1 0.779 0.005 . 2 . . . A 51 LEU HD13 . 18443 1 624 . 1 1 51 51 LEU HD21 H 1 0.430 0.009 . 2 . . . A 51 LEU HD21 . 18443 1 625 . 1 1 51 51 LEU HD22 H 1 0.430 0.009 . 2 . . . A 51 LEU HD22 . 18443 1 626 . 1 1 51 51 LEU HD23 H 1 0.430 0.009 . 2 . . . A 51 LEU HD23 . 18443 1 627 . 1 1 51 51 LEU C C 13 179.233 0.050 . 1 . . . A 51 LEU C . 18443 1 628 . 1 1 51 51 LEU CA C 13 58.343 0.079 . 1 . . . A 51 LEU CA . 18443 1 629 . 1 1 51 51 LEU CB C 13 42.386 0.061 . 1 . . . A 51 LEU CB . 18443 1 630 . 1 1 51 51 LEU CG C 13 26.740 0.000 . 1 . . . A 51 LEU CG . 18443 1 631 . 1 1 51 51 LEU CD1 C 13 27.126 0.029 . 2 . . . A 51 LEU CD1 . 18443 1 632 . 1 1 51 51 LEU CD2 C 13 23.982 0.024 . 2 . . . A 51 LEU CD2 . 18443 1 633 . 1 1 51 51 LEU N N 15 118.677 0.034 . 1 . . . A 51 LEU N . 18443 1 634 . 1 1 52 52 GLU H H 1 8.715 0.007 . 1 . . . A 52 GLU H . 18443 1 635 . 1 1 52 52 GLU HA H 1 4.168 0.007 . 1 . . . A 52 GLU HA . 18443 1 636 . 1 1 52 52 GLU HB2 H 1 2.150 0.009 . 1 . . . A 52 GLU HB2 . 18443 1 637 . 1 1 52 52 GLU HB3 H 1 2.152 0.005 . 1 . . . A 52 GLU HB3 . 18443 1 638 . 1 1 52 52 GLU HG2 H 1 2.476 0.007 . 2 . . . A 52 GLU HG2 . 18443 1 639 . 1 1 52 52 GLU HG3 H 1 2.342 0.007 . 2 . . . A 52 GLU HG3 . 18443 1 640 . 1 1 52 52 GLU C C 13 178.898 0.019 . 1 . . . A 52 GLU C . 18443 1 641 . 1 1 52 52 GLU CA C 13 58.993 0.094 . 1 . . . A 52 GLU CA . 18443 1 642 . 1 1 52 52 GLU CB C 13 30.205 0.040 . 1 . . . A 52 GLU CB . 18443 1 643 . 1 1 52 52 GLU CG C 13 36.870 0.081 . 1 . . . A 52 GLU CG . 18443 1 644 . 1 1 52 52 GLU N N 15 116.437 0.065 . 1 . . . A 52 GLU N . 18443 1 645 . 1 1 53 53 ALA H H 1 7.782 0.003 . 1 . . . A 53 ALA H . 18443 1 646 . 1 1 53 53 ALA HA H 1 4.427 0.004 . 1 . . . A 53 ALA HA . 18443 1 647 . 1 1 53 53 ALA HB1 H 1 1.646 0.005 . 1 . . . A 53 ALA HB1 . 18443 1 648 . 1 1 53 53 ALA HB2 H 1 1.646 0.005 . 1 . . . A 53 ALA HB2 . 18443 1 649 . 1 1 53 53 ALA HB3 H 1 1.646 0.005 . 1 . . . A 53 ALA HB3 . 18443 1 650 . 1 1 53 53 ALA C C 13 180.298 0.005 . 1 . . . A 53 ALA C . 18443 1 651 . 1 1 53 53 ALA CA C 13 54.563 0.114 . 1 . . . A 53 ALA CA . 18443 1 652 . 1 1 53 53 ALA CB C 13 20.218 0.022 . 1 . . . A 53 ALA CB . 18443 1 653 . 1 1 53 53 ALA N N 15 119.092 0.054 . 1 . . . A 53 ALA N . 18443 1 654 . 1 1 54 54 ARG H H 1 7.740 0.007 . 1 . . . A 54 ARG H . 18443 1 655 . 1 1 54 54 ARG HA H 1 4.655 0.004 . 1 . . . A 54 ARG HA . 18443 1 656 . 1 1 54 54 ARG HB2 H 1 1.748 0.008 . 2 . . . A 54 ARG HB2 . 18443 1 657 . 1 1 54 54 ARG HB3 H 1 1.595 0.010 . 2 . . . A 54 ARG HB3 . 18443 1 658 . 1 1 54 54 ARG HG2 H 1 1.752 0.004 . 2 . . . A 54 ARG HG2 . 18443 1 659 . 1 1 54 54 ARG HG3 H 1 1.568 0.005 . 2 . . . A 54 ARG HG3 . 18443 1 660 . 1 1 54 54 ARG HD2 H 1 3.227 0.005 . 2 . . . A 54 ARG HD2 . 18443 1 661 . 1 1 54 54 ARG HD3 H 1 3.121 0.003 . 2 . . . A 54 ARG HD3 . 18443 1 662 . 1 1 54 54 ARG C C 13 175.560 0.059 . 1 . . . A 54 ARG C . 18443 1 663 . 1 1 54 54 ARG CA C 13 55.031 0.117 . 1 . . . A 54 ARG CA . 18443 1 664 . 1 1 54 54 ARG CB C 13 33.337 0.019 . 1 . . . A 54 ARG CB . 18443 1 665 . 1 1 54 54 ARG CG C 13 26.997 0.045 . 1 . . . A 54 ARG CG . 18443 1 666 . 1 1 54 54 ARG CD C 13 42.472 0.019 . 1 . . . A 54 ARG CD . 18443 1 667 . 1 1 54 54 ARG N N 15 111.562 0.050 . 1 . . . A 54 ARG N . 18443 1 668 . 1 1 55 55 PHE H H 1 8.555 0.010 . 1 . . . A 55 PHE H . 18443 1 669 . 1 1 55 55 PHE HA H 1 5.662 0.006 . 1 . . . A 55 PHE HA . 18443 1 670 . 1 1 55 55 PHE HB2 H 1 2.882 0.010 . 2 . . . A 55 PHE HB2 . 18443 1 671 . 1 1 55 55 PHE HB3 H 1 3.268 0.009 . 2 . . . A 55 PHE HB3 . 18443 1 672 . 1 1 55 55 PHE HD1 H 1 7.313 0.010 . 3 . . . A 55 PHE HD1 . 18443 1 673 . 1 1 55 55 PHE HD2 H 1 7.313 0.010 . 3 . . . A 55 PHE HD2 . 18443 1 674 . 1 1 55 55 PHE HE1 H 1 7.091 0.009 . 3 . . . A 55 PHE HE1 . 18443 1 675 . 1 1 55 55 PHE HE2 H 1 7.091 0.009 . 3 . . . A 55 PHE HE2 . 18443 1 676 . 1 1 55 55 PHE CA C 13 56.828 0.064 . 1 . . . A 55 PHE CA . 18443 1 677 . 1 1 55 55 PHE CB C 13 43.282 0.042 . 1 . . . A 55 PHE CB . 18443 1 678 . 1 1 55 55 PHE CD1 C 13 132.708 0.035 . 3 . . . A 55 PHE CD1 . 18443 1 679 . 1 1 55 55 PHE CD2 C 13 132.708 0.035 . 3 . . . A 55 PHE CD2 . 18443 1 680 . 1 1 55 55 PHE CE1 C 13 131.044 0.077 . 3 . . . A 55 PHE CE1 . 18443 1 681 . 1 1 55 55 PHE CE2 C 13 131.044 0.077 . 3 . . . A 55 PHE CE2 . 18443 1 682 . 1 1 55 55 PHE N N 15 117.038 0.029 . 1 . . . A 55 PHE N . 18443 1 683 . 1 1 56 56 VAL H H 1 8.817 0.005 . 1 . . . A 56 VAL H . 18443 1 684 . 1 1 56 56 VAL HA H 1 4.325 0.006 . 1 . . . A 56 VAL HA . 18443 1 685 . 1 1 56 56 VAL HB H 1 1.869 0.008 . 1 . . . A 56 VAL HB . 18443 1 686 . 1 1 56 56 VAL HG11 H 1 0.880 0.007 . 2 . . . A 56 VAL HG11 . 18443 1 687 . 1 1 56 56 VAL HG12 H 1 0.880 0.007 . 2 . . . A 56 VAL HG12 . 18443 1 688 . 1 1 56 56 VAL HG13 H 1 0.880 0.007 . 2 . . . A 56 VAL HG13 . 18443 1 689 . 1 1 56 56 VAL HG21 H 1 1.076 0.011 . 2 . . . A 56 VAL HG21 . 18443 1 690 . 1 1 56 56 VAL HG22 H 1 1.076 0.011 . 2 . . . A 56 VAL HG22 . 18443 1 691 . 1 1 56 56 VAL HG23 H 1 1.076 0.011 . 2 . . . A 56 VAL HG23 . 18443 1 692 . 1 1 56 56 VAL C C 13 175.305 0.000 . 1 . . . A 56 VAL C . 18443 1 693 . 1 1 56 56 VAL CA C 13 62.946 0.086 . 1 . . . A 56 VAL CA . 18443 1 694 . 1 1 56 56 VAL CB C 13 34.505 0.024 . 1 . . . A 56 VAL CB . 18443 1 695 . 1 1 56 56 VAL CG1 C 13 21.842 0.014 . 2 . . . A 56 VAL CG1 . 18443 1 696 . 1 1 56 56 VAL CG2 C 13 22.224 0.221 . 2 . . . A 56 VAL CG2 . 18443 1 697 . 1 1 56 56 VAL N N 15 121.038 0.038 . 1 . . . A 56 VAL N . 18443 1 698 . 1 1 57 57 VAL H H 1 9.498 0.009 . 1 . . . A 57 VAL H . 18443 1 699 . 1 1 57 57 VAL HA H 1 4.976 0.014 . 1 . . . A 57 VAL HA . 18443 1 700 . 1 1 57 57 VAL HB H 1 2.145 0.006 . 1 . . . A 57 VAL HB . 18443 1 701 . 1 1 57 57 VAL HG11 H 1 0.633 0.011 . 2 . . . A 57 VAL HG11 . 18443 1 702 . 1 1 57 57 VAL HG12 H 1 0.633 0.011 . 2 . . . A 57 VAL HG12 . 18443 1 703 . 1 1 57 57 VAL HG13 H 1 0.633 0.011 . 2 . . . A 57 VAL HG13 . 18443 1 704 . 1 1 57 57 VAL HG21 H 1 0.539 0.010 . 2 . . . A 57 VAL HG21 . 18443 1 705 . 1 1 57 57 VAL HG22 H 1 0.539 0.010 . 2 . . . A 57 VAL HG22 . 18443 1 706 . 1 1 57 57 VAL HG23 H 1 0.539 0.010 . 2 . . . A 57 VAL HG23 . 18443 1 707 . 1 1 57 57 VAL C C 13 174.535 0.030 . 1 . . . A 57 VAL C . 18443 1 708 . 1 1 57 57 VAL CA C 13 61.390 0.117 . 1 . . . A 57 VAL CA . 18443 1 709 . 1 1 57 57 VAL CB C 13 32.936 0.026 . 1 . . . A 57 VAL CB . 18443 1 710 . 1 1 57 57 VAL CG1 C 13 21.392 0.025 . 2 . . . A 57 VAL CG1 . 18443 1 711 . 1 1 57 57 VAL CG2 C 13 21.751 0.012 . 2 . . . A 57 VAL CG2 . 18443 1 712 . 1 1 57 57 VAL N N 15 125.781 0.070 . 1 . . . A 57 VAL N . 18443 1 713 . 1 1 58 58 ALA H H 1 9.062 0.004 . 1 . . . A 58 ALA H . 18443 1 714 . 1 1 58 58 ALA HA H 1 5.621 0.010 . 1 . . . A 58 ALA HA . 18443 1 715 . 1 1 58 58 ALA HB1 H 1 1.126 0.009 . 1 . . . A 58 ALA HB1 . 18443 1 716 . 1 1 58 58 ALA HB2 H 1 1.126 0.009 . 1 . . . A 58 ALA HB2 . 18443 1 717 . 1 1 58 58 ALA HB3 H 1 1.126 0.009 . 1 . . . A 58 ALA HB3 . 18443 1 718 . 1 1 58 58 ALA C C 13 175.953 0.010 . 1 . . . A 58 ALA C . 18443 1 719 . 1 1 58 58 ALA CA C 13 48.764 0.065 . 1 . . . A 58 ALA CA . 18443 1 720 . 1 1 58 58 ALA CB C 13 21.715 0.046 . 1 . . . A 58 ALA CB . 18443 1 721 . 1 1 58 58 ALA N N 15 128.137 0.070 . 1 . . . A 58 ALA N . 18443 1 722 . 1 1 59 59 SER H H 1 8.676 0.009 . 1 . . . A 59 SER H . 18443 1 723 . 1 1 59 59 SER HA H 1 4.693 0.011 . 1 . . . A 59 SER HA . 18443 1 724 . 1 1 59 59 SER HB2 H 1 3.591 0.007 . 2 . . . A 59 SER HB2 . 18443 1 725 . 1 1 59 59 SER HB3 H 1 3.717 0.004 . 2 . . . A 59 SER HB3 . 18443 1 726 . 1 1 59 59 SER C C 13 174.092 0.050 . 1 . . . A 59 SER C . 18443 1 727 . 1 1 59 59 SER CA C 13 56.135 0.108 . 1 . . . A 59 SER CA . 18443 1 728 . 1 1 59 59 SER CB C 13 63.731 0.023 . 1 . . . A 59 SER CB . 18443 1 729 . 1 1 59 59 SER N N 15 117.343 0.043 . 1 . . . A 59 SER N . 18443 1 730 . 1 1 60 60 VAL H H 1 8.716 0.008 . 1 . . . A 60 VAL H . 18443 1 731 . 1 1 60 60 VAL HA H 1 3.929 0.006 . 1 . . . A 60 VAL HA . 18443 1 732 . 1 1 60 60 VAL HB H 1 1.147 0.007 . 1 . . . A 60 VAL HB . 18443 1 733 . 1 1 60 60 VAL HG11 H 1 0.691 0.009 . 2 . . . A 60 VAL HG11 . 18443 1 734 . 1 1 60 60 VAL HG12 H 1 0.691 0.009 . 2 . . . A 60 VAL HG12 . 18443 1 735 . 1 1 60 60 VAL HG13 H 1 0.691 0.009 . 2 . . . A 60 VAL HG13 . 18443 1 736 . 1 1 60 60 VAL HG21 H 1 0.317 0.008 . 2 . . . A 60 VAL HG21 . 18443 1 737 . 1 1 60 60 VAL HG22 H 1 0.317 0.008 . 2 . . . A 60 VAL HG22 . 18443 1 738 . 1 1 60 60 VAL HG23 H 1 0.317 0.008 . 2 . . . A 60 VAL HG23 . 18443 1 739 . 1 1 60 60 VAL C C 13 172.999 0.000 . 1 . . . A 60 VAL C . 18443 1 740 . 1 1 60 60 VAL CA C 13 61.522 0.106 . 1 . . . A 60 VAL CA . 18443 1 741 . 1 1 60 60 VAL CB C 13 33.335 0.026 . 1 . . . A 60 VAL CB . 18443 1 742 . 1 1 60 60 VAL CG1 C 13 23.218 0.018 . 2 . . . A 60 VAL CG1 . 18443 1 743 . 1 1 60 60 VAL CG2 C 13 20.769 0.013 . 2 . . . A 60 VAL CG2 . 18443 1 744 . 1 1 60 60 VAL N N 15 129.829 0.055 . 1 . . . A 60 VAL N . 18443 1 745 . 1 1 61 61 SER H H 1 8.250 0.006 . 1 . . . A 61 SER H . 18443 1 746 . 1 1 61 61 SER HA H 1 4.211 0.008 . 1 . . . A 61 SER HA . 18443 1 747 . 1 1 61 61 SER HB2 H 1 3.727 0.009 . 2 . . . A 61 SER HB2 . 18443 1 748 . 1 1 61 61 SER HB3 H 1 3.669 0.002 . 2 . . . A 61 SER HB3 . 18443 1 749 . 1 1 61 61 SER C C 13 178.511 0.050 . 1 . . . A 61 SER C . 18443 1 750 . 1 1 61 61 SER CA C 13 55.404 0.093 . 1 . . . A 61 SER CA . 18443 1 751 . 1 1 61 61 SER CB C 13 63.080 0.027 . 1 . . . A 61 SER CB . 18443 1 752 . 1 1 61 61 SER N N 15 119.457 0.045 . 1 . . . A 61 SER N . 18443 1 753 . 1 1 62 62 VAL H H 1 8.954 0.011 . 1 . . . A 62 VAL H . 18443 1 754 . 1 1 62 62 VAL HA H 1 4.041 0.008 . 1 . . . A 62 VAL HA . 18443 1 755 . 1 1 62 62 VAL HB H 1 2.486 0.006 . 1 . . . A 62 VAL HB . 18443 1 756 . 1 1 62 62 VAL HG11 H 1 0.886 0.010 . 2 . . . A 62 VAL HG11 . 18443 1 757 . 1 1 62 62 VAL HG12 H 1 0.886 0.010 . 2 . . . A 62 VAL HG12 . 18443 1 758 . 1 1 62 62 VAL HG13 H 1 0.886 0.010 . 2 . . . A 62 VAL HG13 . 18443 1 759 . 1 1 62 62 VAL HG21 H 1 0.725 0.006 . 2 . . . A 62 VAL HG21 . 18443 1 760 . 1 1 62 62 VAL HG22 H 1 0.725 0.006 . 2 . . . A 62 VAL HG22 . 18443 1 761 . 1 1 62 62 VAL HG23 H 1 0.725 0.006 . 2 . . . A 62 VAL HG23 . 18443 1 762 . 1 1 62 62 VAL C C 13 174.434 0.018 . 1 . . . A 62 VAL C . 18443 1 763 . 1 1 62 62 VAL CA C 13 62.777 0.117 . 1 . . . A 62 VAL CA . 18443 1 764 . 1 1 62 62 VAL CB C 13 29.867 0.026 . 1 . . . A 62 VAL CB . 18443 1 765 . 1 1 62 62 VAL CG1 C 13 21.853 0.048 . 2 . . . A 62 VAL CG1 . 18443 1 766 . 1 1 62 62 VAL CG2 C 13 18.650 0.017 . 2 . . . A 62 VAL CG2 . 18443 1 767 . 1 1 62 62 VAL N N 15 123.331 0.025 . 1 . . . A 62 VAL N . 18443 1 768 . 1 1 63 63 ASP H H 1 7.966 0.007 . 1 . . . A 63 ASP H . 18443 1 769 . 1 1 63 63 ASP HA H 1 4.719 0.005 . 1 . . . A 63 ASP HA . 18443 1 770 . 1 1 63 63 ASP HB2 H 1 3.059 0.011 . 2 . . . A 63 ASP HB2 . 18443 1 771 . 1 1 63 63 ASP HB3 H 1 2.494 0.010 . 2 . . . A 63 ASP HB3 . 18443 1 772 . 1 1 63 63 ASP C C 13 175.930 0.050 . 1 . . . A 63 ASP C . 18443 1 773 . 1 1 63 63 ASP CA C 13 54.930 0.094 . 1 . . . A 63 ASP CA . 18443 1 774 . 1 1 63 63 ASP CB C 13 41.218 0.033 . 1 . . . A 63 ASP CB . 18443 1 775 . 1 1 63 63 ASP N N 15 119.953 0.056 . 1 . . . A 63 ASP N . 18443 1 776 . 1 1 64 64 THR H H 1 7.315 0.005 . 1 . . . A 64 THR H . 18443 1 777 . 1 1 64 64 THR HA H 1 4.963 0.007 . 1 . . . A 64 THR HA . 18443 1 778 . 1 1 64 64 THR HB H 1 4.677 0.002 . 1 . . . A 64 THR HB . 18443 1 779 . 1 1 64 64 THR HG21 H 1 1.326 0.006 . 1 . . . A 64 THR HG21 . 18443 1 780 . 1 1 64 64 THR HG22 H 1 1.326 0.006 . 1 . . . A 64 THR HG22 . 18443 1 781 . 1 1 64 64 THR HG23 H 1 1.326 0.006 . 1 . . . A 64 THR HG23 . 18443 1 782 . 1 1 64 64 THR C C 13 173.012 0.000 . 1 . . . A 64 THR C . 18443 1 783 . 1 1 64 64 THR CA C 13 58.176 0.079 . 1 . . . A 64 THR CA . 18443 1 784 . 1 1 64 64 THR CB C 13 70.326 0.018 . 1 . . . A 64 THR CB . 18443 1 785 . 1 1 64 64 THR CG2 C 13 21.705 0.023 . 1 . . . A 64 THR CG2 . 18443 1 786 . 1 1 64 64 THR N N 15 108.822 0.042 . 1 . . . A 64 THR N . 18443 1 787 . 1 1 65 65 PRO HA H 1 4.288 0.010 . 1 . . . A 65 PRO HA . 18443 1 788 . 1 1 65 65 PRO HB2 H 1 2.461 0.006 . 2 . . . A 65 PRO HB2 . 18443 1 789 . 1 1 65 65 PRO HB3 H 1 2.032 0.005 . 2 . . . A 65 PRO HB3 . 18443 1 790 . 1 1 65 65 PRO HG2 H 1 2.296 0.009 . 2 . . . A 65 PRO HG2 . 18443 1 791 . 1 1 65 65 PRO HG3 H 1 2.102 0.008 . 2 . . . A 65 PRO HG3 . 18443 1 792 . 1 1 65 65 PRO HD2 H 1 3.988 0.010 . 1 . . . A 65 PRO HD2 . 18443 1 793 . 1 1 65 65 PRO HD3 H 1 3.988 0.011 . 1 . . . A 65 PRO HD3 . 18443 1 794 . 1 1 65 65 PRO C C 13 180.307 0.000 . 1 . . . A 65 PRO C . 18443 1 795 . 1 1 65 65 PRO CA C 13 65.841 0.107 . 1 . . . A 65 PRO CA . 18443 1 796 . 1 1 65 65 PRO CB C 13 31.961 0.053 . 1 . . . A 65 PRO CB . 18443 1 797 . 1 1 65 65 PRO CG C 13 27.991 0.041 . 1 . . . A 65 PRO CG . 18443 1 798 . 1 1 65 65 PRO CD C 13 50.604 0.093 . 1 . . . A 65 PRO CD . 18443 1 799 . 1 1 66 66 GLU H H 1 9.304 0.005 . 1 . . . A 66 GLU H . 18443 1 800 . 1 1 66 66 GLU HA H 1 4.161 0.010 . 1 . . . A 66 GLU HA . 18443 1 801 . 1 1 66 66 GLU HB2 H 1 2.138 0.001 . 2 . . . A 66 GLU HB2 . 18443 1 802 . 1 1 66 66 GLU HB3 H 1 2.041 0.006 . 2 . . . A 66 GLU HB3 . 18443 1 803 . 1 1 66 66 GLU HG2 H 1 2.459 0.004 . 2 . . . A 66 GLU HG2 . 18443 1 804 . 1 1 66 66 GLU HG3 H 1 2.385 0.005 . 2 . . . A 66 GLU HG3 . 18443 1 805 . 1 1 66 66 GLU C C 13 179.940 0.055 . 1 . . . A 66 GLU C . 18443 1 806 . 1 1 66 66 GLU CA C 13 59.939 0.069 . 1 . . . A 66 GLU CA . 18443 1 807 . 1 1 66 66 GLU CB C 13 28.871 0.041 . 1 . . . A 66 GLU CB . 18443 1 808 . 1 1 66 66 GLU CG C 13 36.704 0.010 . 1 . . . A 66 GLU CG . 18443 1 809 . 1 1 66 66 GLU N N 15 118.398 0.031 . 1 . . . A 66 GLU N . 18443 1 810 . 1 1 67 67 GLY H H 1 8.172 0.005 . 1 . . . A 67 GLY H . 18443 1 811 . 1 1 67 67 GLY HA2 H 1 4.317 0.012 . 2 . . . A 67 GLY HA2 . 18443 1 812 . 1 1 67 67 GLY HA3 H 1 3.631 0.008 . 2 . . . A 67 GLY HA3 . 18443 1 813 . 1 1 67 67 GLY C C 13 176.529 0.035 . 1 . . . A 67 GLY C . 18443 1 814 . 1 1 67 67 GLY CA C 13 46.864 0.085 . 1 . . . A 67 GLY CA . 18443 1 815 . 1 1 67 67 GLY N N 15 110.592 0.051 . 1 . . . A 67 GLY N . 18443 1 816 . 1 1 68 68 GLN H H 1 8.504 0.005 . 1 . . . A 68 GLN H . 18443 1 817 . 1 1 68 68 GLN HA H 1 4.013 0.005 . 1 . . . A 68 GLN HA . 18443 1 818 . 1 1 68 68 GLN HB2 H 1 2.288 0.006 . 2 . . . A 68 GLN HB2 . 18443 1 819 . 1 1 68 68 GLN HB3 H 1 2.091 0.011 . 2 . . . A 68 GLN HB3 . 18443 1 820 . 1 1 68 68 GLN HG2 H 1 2.591 0.008 . 2 . . . A 68 GLN HG2 . 18443 1 821 . 1 1 68 68 GLN HG3 H 1 2.491 0.010 . 2 . . . A 68 GLN HG3 . 18443 1 822 . 1 1 68 68 GLN HE21 H 1 6.794 0.004 . 1 . . . A 68 GLN HE21 . 18443 1 823 . 1 1 68 68 GLN HE22 H 1 7.256 0.003 . 1 . . . A 68 GLN HE22 . 18443 1 824 . 1 1 68 68 GLN C C 13 179.366 0.019 . 1 . . . A 68 GLN C . 18443 1 825 . 1 1 68 68 GLN CA C 13 59.191 0.105 . 1 . . . A 68 GLN CA . 18443 1 826 . 1 1 68 68 GLN CB C 13 27.934 0.049 . 1 . . . A 68 GLN CB . 18443 1 827 . 1 1 68 68 GLN CG C 13 34.417 0.045 . 1 . . . A 68 GLN CG . 18443 1 828 . 1 1 68 68 GLN N N 15 121.948 0.048 . 1 . . . A 68 GLN N . 18443 1 829 . 1 1 68 68 GLN NE2 N 15 110.284 0.053 . 1 . . . A 68 GLN NE2 . 18443 1 830 . 1 1 69 69 GLU H H 1 7.815 0.004 . 1 . . . A 69 GLU H . 18443 1 831 . 1 1 69 69 GLU HA H 1 4.170 0.009 . 1 . . . A 69 GLU HA . 18443 1 832 . 1 1 69 69 GLU HB2 H 1 2.147 0.008 . 1 . . . A 69 GLU HB2 . 18443 1 833 . 1 1 69 69 GLU HB3 H 1 2.147 0.008 . 1 . . . A 69 GLU HB3 . 18443 1 834 . 1 1 69 69 GLU HG2 H 1 2.365 0.010 . 2 . . . A 69 GLU HG2 . 18443 1 835 . 1 1 69 69 GLU HG3 H 1 2.331 0.005 . 2 . . . A 69 GLU HG3 . 18443 1 836 . 1 1 69 69 GLU C C 13 179.360 0.016 . 1 . . . A 69 GLU C . 18443 1 837 . 1 1 69 69 GLU CA C 13 59.490 0.044 . 1 . . . A 69 GLU CA . 18443 1 838 . 1 1 69 69 GLU CB C 13 28.931 0.022 . 1 . . . A 69 GLU CB . 18443 1 839 . 1 1 69 69 GLU CG C 13 35.760 0.027 . 1 . . . A 69 GLU CG . 18443 1 840 . 1 1 69 69 GLU N N 15 120.280 0.060 . 1 . . . A 69 GLU N . 18443 1 841 . 1 1 70 70 LEU H H 1 7.758 0.003 . 1 . . . A 70 LEU H . 18443 1 842 . 1 1 70 70 LEU HA H 1 4.116 0.010 . 1 . . . A 70 LEU HA . 18443 1 843 . 1 1 70 70 LEU HB2 H 1 1.930 0.008 . 2 . . . A 70 LEU HB2 . 18443 1 844 . 1 1 70 70 LEU HB3 H 1 1.394 0.010 . 2 . . . A 70 LEU HB3 . 18443 1 845 . 1 1 70 70 LEU HG H 1 1.663 0.007 . 1 . . . A 70 LEU HG . 18443 1 846 . 1 1 70 70 LEU HD11 H 1 0.369 0.007 . 2 . . . A 70 LEU HD11 . 18443 1 847 . 1 1 70 70 LEU HD12 H 1 0.369 0.007 . 2 . . . A 70 LEU HD12 . 18443 1 848 . 1 1 70 70 LEU HD13 H 1 0.369 0.007 . 2 . . . A 70 LEU HD13 . 18443 1 849 . 1 1 70 70 LEU HD21 H 1 0.490 0.006 . 2 . . . A 70 LEU HD21 . 18443 1 850 . 1 1 70 70 LEU HD22 H 1 0.490 0.006 . 2 . . . A 70 LEU HD22 . 18443 1 851 . 1 1 70 70 LEU HD23 H 1 0.490 0.006 . 2 . . . A 70 LEU HD23 . 18443 1 852 . 1 1 70 70 LEU C C 13 178.961 0.000 . 1 . . . A 70 LEU C . 18443 1 853 . 1 1 70 70 LEU CA C 13 58.193 0.081 . 1 . . . A 70 LEU CA . 18443 1 854 . 1 1 70 70 LEU CB C 13 42.727 0.027 . 1 . . . A 70 LEU CB . 18443 1 855 . 1 1 70 70 LEU CG C 13 27.296 0.039 . 1 . . . A 70 LEU CG . 18443 1 856 . 1 1 70 70 LEU CD1 C 13 23.565 0.027 . 2 . . . A 70 LEU CD1 . 18443 1 857 . 1 1 70 70 LEU CD2 C 13 25.304 0.022 . 2 . . . A 70 LEU CD2 . 18443 1 858 . 1 1 70 70 LEU N N 15 121.041 0.059 . 1 . . . A 70 LEU N . 18443 1 859 . 1 1 71 71 ALA H H 1 8.745 0.004 . 1 . . . A 71 ALA H . 18443 1 860 . 1 1 71 71 ALA HA H 1 3.573 0.007 . 1 . . . A 71 ALA HA . 18443 1 861 . 1 1 71 71 ALA HB1 H 1 1.343 0.009 . 1 . . . A 71 ALA HB1 . 18443 1 862 . 1 1 71 71 ALA HB2 H 1 1.343 0.009 . 1 . . . A 71 ALA HB2 . 18443 1 863 . 1 1 71 71 ALA HB3 H 1 1.343 0.009 . 1 . . . A 71 ALA HB3 . 18443 1 864 . 1 1 71 71 ALA C C 13 179.966 0.008 . 1 . . . A 71 ALA C . 18443 1 865 . 1 1 71 71 ALA CA C 13 55.038 0.073 . 1 . . . A 71 ALA CA . 18443 1 866 . 1 1 71 71 ALA CB C 13 17.419 0.021 . 1 . . . A 71 ALA CB . 18443 1 867 . 1 1 71 71 ALA N N 15 122.094 0.046 . 1 . . . A 71 ALA N . 18443 1 868 . 1 1 72 72 ARG H H 1 7.862 0.003 . 1 . . . A 72 ARG H . 18443 1 869 . 1 1 72 72 ARG HA H 1 4.121 0.006 . 1 . . . A 72 ARG HA . 18443 1 870 . 1 1 72 72 ARG HB2 H 1 2.015 0.013 . 1 . . . A 72 ARG HB2 . 18443 1 871 . 1 1 72 72 ARG HB3 H 1 2.015 0.013 . 1 . . . A 72 ARG HB3 . 18443 1 872 . 1 1 72 72 ARG HG2 H 1 1.845 0.008 . 2 . . . A 72 ARG HG2 . 18443 1 873 . 1 1 72 72 ARG HG3 H 1 1.564 0.007 . 2 . . . A 72 ARG HG3 . 18443 1 874 . 1 1 72 72 ARG HD2 H 1 3.265 0.004 . 1 . . . A 72 ARG HD2 . 18443 1 875 . 1 1 72 72 ARG HD3 H 1 3.265 0.004 . 1 . . . A 72 ARG HD3 . 18443 1 876 . 1 1 72 72 ARG C C 13 180.905 0.018 . 1 . . . A 72 ARG C . 18443 1 877 . 1 1 72 72 ARG CA C 13 59.524 0.105 . 1 . . . A 72 ARG CA . 18443 1 878 . 1 1 72 72 ARG CB C 13 30.302 0.017 . 1 . . . A 72 ARG CB . 18443 1 879 . 1 1 72 72 ARG CG C 13 27.988 0.083 . 1 . . . A 72 ARG CG . 18443 1 880 . 1 1 72 72 ARG CD C 13 43.453 0.040 . 1 . . . A 72 ARG CD . 18443 1 881 . 1 1 72 72 ARG N N 15 118.463 0.033 . 1 . . . A 72 ARG N . 18443 1 882 . 1 1 73 73 ARG H H 1 8.189 0.003 . 1 . . . A 73 ARG H . 18443 1 883 . 1 1 73 73 ARG HA H 1 3.958 0.008 . 1 . . . A 73 ARG HA . 18443 1 884 . 1 1 73 73 ARG HB2 H 1 2.047 0.007 . 2 . . . A 73 ARG HB2 . 18443 1 885 . 1 1 73 73 ARG HB3 H 1 1.905 0.010 . 2 . . . A 73 ARG HB3 . 18443 1 886 . 1 1 73 73 ARG HG2 H 1 1.724 0.008 . 2 . . . A 73 ARG HG2 . 18443 1 887 . 1 1 73 73 ARG HG3 H 1 1.434 0.009 . 2 . . . A 73 ARG HG3 . 18443 1 888 . 1 1 73 73 ARG HD2 H 1 3.085 0.009 . 2 . . . A 73 ARG HD2 . 18443 1 889 . 1 1 73 73 ARG HD3 H 1 3.041 0.004 . 2 . . . A 73 ARG HD3 . 18443 1 890 . 1 1 73 73 ARG C C 13 178.562 0.020 . 1 . . . A 73 ARG C . 18443 1 891 . 1 1 73 73 ARG CA C 13 59.538 0.117 . 1 . . . A 73 ARG CA . 18443 1 892 . 1 1 73 73 ARG CB C 13 30.191 0.047 . 1 . . . A 73 ARG CB . 18443 1 893 . 1 1 73 73 ARG CG C 13 27.010 0.078 . 1 . . . A 73 ARG CG . 18443 1 894 . 1 1 73 73 ARG CD C 13 43.687 0.025 . 1 . . . A 73 ARG CD . 18443 1 895 . 1 1 73 73 ARG N N 15 122.223 0.036 . 1 . . . A 73 ARG N . 18443 1 896 . 1 1 74 74 TYR H H 1 8.047 0.008 . 1 . . . A 74 TYR H . 18443 1 897 . 1 1 74 74 TYR HA H 1 4.401 0.006 . 1 . . . A 74 TYR HA . 18443 1 898 . 1 1 74 74 TYR HB2 H 1 2.593 0.008 . 2 . . . A 74 TYR HB2 . 18443 1 899 . 1 1 74 74 TYR HB3 H 1 3.071 0.012 . 2 . . . A 74 TYR HB3 . 18443 1 900 . 1 1 74 74 TYR HD1 H 1 7.400 0.009 . 3 . . . A 74 TYR HD1 . 18443 1 901 . 1 1 74 74 TYR HD2 H 1 7.400 0.009 . 3 . . . A 74 TYR HD2 . 18443 1 902 . 1 1 74 74 TYR HE1 H 1 6.819 0.004 . 3 . . . A 74 TYR HE1 . 18443 1 903 . 1 1 74 74 TYR HE2 H 1 6.819 0.004 . 3 . . . A 74 TYR HE2 . 18443 1 904 . 1 1 74 74 TYR C C 13 174.321 0.033 . 1 . . . A 74 TYR C . 18443 1 905 . 1 1 74 74 TYR CA C 13 59.784 0.071 . 1 . . . A 74 TYR CA . 18443 1 906 . 1 1 74 74 TYR CB C 13 39.264 0.073 . 1 . . . A 74 TYR CB . 18443 1 907 . 1 1 74 74 TYR CD1 C 13 133.143 0.082 . 3 . . . A 74 TYR CD1 . 18443 1 908 . 1 1 74 74 TYR CD2 C 13 133.143 0.082 . 3 . . . A 74 TYR CD2 . 18443 1 909 . 1 1 74 74 TYR CE1 C 13 117.819 0.067 . 3 . . . A 74 TYR CE1 . 18443 1 910 . 1 1 74 74 TYR CE2 C 13 117.819 0.067 . 3 . . . A 74 TYR CE2 . 18443 1 911 . 1 1 74 74 TYR N N 15 114.319 0.110 . 1 . . . A 74 TYR N . 18443 1 912 . 1 1 75 75 ARG H H 1 7.865 0.005 . 1 . . . A 75 ARG H . 18443 1 913 . 1 1 75 75 ARG HA H 1 3.869 0.004 . 1 . . . A 75 ARG HA . 18443 1 914 . 1 1 75 75 ARG HB2 H 1 2.071 0.013 . 2 . . . A 75 ARG HB2 . 18443 1 915 . 1 1 75 75 ARG HB3 H 1 1.814 0.004 . 2 . . . A 75 ARG HB3 . 18443 1 916 . 1 1 75 75 ARG HG2 H 1 1.584 0.010 . 1 . . . A 75 ARG HG2 . 18443 1 917 . 1 1 75 75 ARG HG3 H 1 1.584 0.010 . 1 . . . A 75 ARG HG3 . 18443 1 918 . 1 1 75 75 ARG HD2 H 1 3.247 0.008 . 2 . . . A 75 ARG HD2 . 18443 1 919 . 1 1 75 75 ARG HD3 H 1 3.236 0.006 . 2 . . . A 75 ARG HD3 . 18443 1 920 . 1 1 75 75 ARG C C 13 175.880 0.000 . 1 . . . A 75 ARG C . 18443 1 921 . 1 1 75 75 ARG CA C 13 56.840 0.122 . 1 . . . A 75 ARG CA . 18443 1 922 . 1 1 75 75 ARG CB C 13 26.508 0.020 . 1 . . . A 75 ARG CB . 18443 1 923 . 1 1 75 75 ARG CG C 13 27.194 0.090 . 1 . . . A 75 ARG CG . 18443 1 924 . 1 1 75 75 ARG CD C 13 43.500 0.003 . 1 . . . A 75 ARG CD . 18443 1 925 . 1 1 75 75 ARG N N 15 119.572 0.077 . 1 . . . A 75 ARG N . 18443 1 926 . 1 1 76 76 VAL H H 1 8.024 0.005 . 1 . . . A 76 VAL H . 18443 1 927 . 1 1 76 76 VAL HA H 1 3.791 0.006 . 1 . . . A 76 VAL HA . 18443 1 928 . 1 1 76 76 VAL HB H 1 1.574 0.011 . 1 . . . A 76 VAL HB . 18443 1 929 . 1 1 76 76 VAL HG11 H 1 0.506 0.007 . 2 . . . A 76 VAL HG11 . 18443 1 930 . 1 1 76 76 VAL HG12 H 1 0.506 0.007 . 2 . . . A 76 VAL HG12 . 18443 1 931 . 1 1 76 76 VAL HG13 H 1 0.506 0.007 . 2 . . . A 76 VAL HG13 . 18443 1 932 . 1 1 76 76 VAL HG21 H 1 -0.098 0.005 . 2 . . . A 76 VAL HG21 . 18443 1 933 . 1 1 76 76 VAL HG22 H 1 -0.098 0.005 . 2 . . . A 76 VAL HG22 . 18443 1 934 . 1 1 76 76 VAL HG23 H 1 -0.098 0.005 . 2 . . . A 76 VAL HG23 . 18443 1 935 . 1 1 76 76 VAL C C 13 176.374 0.000 . 1 . . . A 76 VAL C . 18443 1 936 . 1 1 76 76 VAL CA C 13 60.756 0.086 . 1 . . . A 76 VAL CA . 18443 1 937 . 1 1 76 76 VAL CB C 13 31.913 0.038 . 1 . . . A 76 VAL CB . 18443 1 938 . 1 1 76 76 VAL CG1 C 13 20.619 0.025 . 2 . . . A 76 VAL CG1 . 18443 1 939 . 1 1 76 76 VAL CG2 C 13 21.534 0.014 . 2 . . . A 76 VAL CG2 . 18443 1 940 . 1 1 76 76 VAL N N 15 119.885 0.049 . 1 . . . A 76 VAL N . 18443 1 941 . 1 1 77 77 PRO HA H 1 4.397 0.003 . 1 . . . A 77 PRO HA . 18443 1 942 . 1 1 77 77 PRO HB2 H 1 1.871 0.003 . 2 . . . A 77 PRO HB2 . 18443 1 943 . 1 1 77 77 PRO HB3 H 1 1.368 0.003 . 2 . . . A 77 PRO HB3 . 18443 1 944 . 1 1 77 77 PRO C C 13 175.829 0.000 . 1 . . . A 77 PRO C . 18443 1 945 . 1 1 77 77 PRO CA C 13 63.462 0.079 . 1 . . . A 77 PRO CA . 18443 1 946 . 1 1 77 77 PRO CB C 13 31.757 0.035 . 1 . . . A 77 PRO CB . 18443 1 947 . 1 1 78 78 GLY H H 1 6.725 0.004 . 1 . . . A 78 GLY H . 18443 1 948 . 1 1 78 78 GLY HA2 H 1 4.224 0.006 . 2 . . . A 78 GLY HA2 . 18443 1 949 . 1 1 78 78 GLY HA3 H 1 4.011 0.014 . 2 . . . A 78 GLY HA3 . 18443 1 950 . 1 1 78 78 GLY C C 13 171.794 0.027 . 1 . . . A 78 GLY C . 18443 1 951 . 1 1 78 78 GLY CA C 13 44.609 0.079 . 1 . . . A 78 GLY CA . 18443 1 952 . 1 1 78 78 GLY N N 15 105.453 0.026 . 1 . . . A 78 GLY N . 18443 1 953 . 1 1 79 79 THR H H 1 8.771 0.004 . 1 . . . A 79 THR H . 18443 1 954 . 1 1 79 79 THR HA H 1 4.886 0.004 . 1 . . . A 79 THR HA . 18443 1 955 . 1 1 79 79 THR HB H 1 4.103 0.007 . 1 . . . A 79 THR HB . 18443 1 956 . 1 1 79 79 THR HG21 H 1 0.882 0.007 . 1 . . . A 79 THR HG21 . 18443 1 957 . 1 1 79 79 THR HG22 H 1 0.882 0.007 . 1 . . . A 79 THR HG22 . 18443 1 958 . 1 1 79 79 THR HG23 H 1 0.882 0.007 . 1 . . . A 79 THR HG23 . 18443 1 959 . 1 1 79 79 THR CA C 13 57.957 0.078 . 1 . . . A 79 THR CA . 18443 1 960 . 1 1 79 79 THR CB C 13 70.685 0.032 . 1 . . . A 79 THR CB . 18443 1 961 . 1 1 79 79 THR CG2 C 13 21.839 0.044 . 1 . . . A 79 THR CG2 . 18443 1 962 . 1 1 79 79 THR N N 15 110.056 0.072 . 1 . . . A 79 THR N . 18443 1 963 . 1 1 80 80 PRO HA H 1 5.079 0.010 . 1 . . . A 80 PRO HA . 18443 1 964 . 1 1 80 80 PRO HB2 H 1 3.284 0.010 . 2 . . . A 80 PRO HB2 . 18443 1 965 . 1 1 80 80 PRO HB3 H 1 1.950 0.010 . 2 . . . A 80 PRO HB3 . 18443 1 966 . 1 1 80 80 PRO HG2 H 1 1.611 0.000 . 2 . . . A 80 PRO HG2 . 18443 1 967 . 1 1 80 80 PRO HG3 H 1 1.037 0.010 . 2 . . . A 80 PRO HG3 . 18443 1 968 . 1 1 80 80 PRO HD2 H 1 3.886 0.001 . 2 . . . A 80 PRO HD2 . 18443 1 969 . 1 1 80 80 PRO HD3 H 1 3.710 0.000 . 2 . . . A 80 PRO HD3 . 18443 1 970 . 1 1 80 80 PRO C C 13 176.536 0.000 . 1 . . . A 80 PRO C . 18443 1 971 . 1 1 80 80 PRO CA C 13 62.559 0.037 . 1 . . . A 80 PRO CA . 18443 1 972 . 1 1 80 80 PRO CB C 13 35.671 0.021 . 1 . . . A 80 PRO CB . 18443 1 973 . 1 1 80 80 PRO CG C 13 26.190 0.012 . 1 . . . A 80 PRO CG . 18443 1 974 . 1 1 80 80 PRO CD C 13 50.800 0.004 . 1 . . . A 80 PRO CD . 18443 1 975 . 1 1 81 81 THR H H 1 8.176 0.006 . 1 . . . A 81 THR H . 18443 1 976 . 1 1 81 81 THR HA H 1 5.425 0.011 . 1 . . . A 81 THR HA . 18443 1 977 . 1 1 81 81 THR HB H 1 3.880 0.010 . 1 . . . A 81 THR HB . 18443 1 978 . 1 1 81 81 THR HG21 H 1 1.226 0.007 . 1 . . . A 81 THR HG21 . 18443 1 979 . 1 1 81 81 THR HG22 H 1 1.226 0.007 . 1 . . . A 81 THR HG22 . 18443 1 980 . 1 1 81 81 THR HG23 H 1 1.226 0.007 . 1 . . . A 81 THR HG23 . 18443 1 981 . 1 1 81 81 THR C C 13 171.960 0.000 . 1 . . . A 81 THR C . 18443 1 982 . 1 1 81 81 THR CA C 13 63.540 0.049 . 1 . . . A 81 THR CA . 18443 1 983 . 1 1 81 81 THR CB C 13 71.840 0.027 . 1 . . . A 81 THR CB . 18443 1 984 . 1 1 81 81 THR CG2 C 13 22.110 0.025 . 1 . . . A 81 THR CG2 . 18443 1 985 . 1 1 81 81 THR N N 15 116.755 0.079 . 1 . . . A 81 THR N . 18443 1 986 . 1 1 82 82 PHE H H 1 9.540 0.004 . 1 . . . A 82 PHE H . 18443 1 987 . 1 1 82 82 PHE HA H 1 5.636 0.015 . 1 . . . A 82 PHE HA . 18443 1 988 . 1 1 82 82 PHE HB2 H 1 2.494 0.007 . 2 . . . A 82 PHE HB2 . 18443 1 989 . 1 1 82 82 PHE HB3 H 1 2.999 0.017 . 2 . . . A 82 PHE HB3 . 18443 1 990 . 1 1 82 82 PHE HD1 H 1 7.197 0.011 . 3 . . . A 82 PHE HD1 . 18443 1 991 . 1 1 82 82 PHE HD2 H 1 7.197 0.011 . 3 . . . A 82 PHE HD2 . 18443 1 992 . 1 1 82 82 PHE HE1 H 1 6.643 0.010 . 3 . . . A 82 PHE HE1 . 18443 1 993 . 1 1 82 82 PHE HE2 H 1 6.643 0.010 . 3 . . . A 82 PHE HE2 . 18443 1 994 . 1 1 82 82 PHE HZ H 1 6.526 0.007 . 1 . . . A 82 PHE HZ . 18443 1 995 . 1 1 82 82 PHE C C 13 174.738 0.000 . 1 . . . A 82 PHE C . 18443 1 996 . 1 1 82 82 PHE CA C 13 55.770 0.057 . 1 . . . A 82 PHE CA . 18443 1 997 . 1 1 82 82 PHE CB C 13 41.280 0.055 . 1 . . . A 82 PHE CB . 18443 1 998 . 1 1 82 82 PHE CD1 C 13 132.449 0.033 . 3 . . . A 82 PHE CD1 . 18443 1 999 . 1 1 82 82 PHE CD2 C 13 132.449 0.033 . 3 . . . A 82 PHE CD2 . 18443 1 1000 . 1 1 82 82 PHE CE1 C 13 130.813 0.046 . 3 . . . A 82 PHE CE1 . 18443 1 1001 . 1 1 82 82 PHE CE2 C 13 130.813 0.046 . 3 . . . A 82 PHE CE2 . 18443 1 1002 . 1 1 82 82 PHE CZ C 13 129.147 0.077 . 1 . . . A 82 PHE CZ . 18443 1 1003 . 1 1 82 82 PHE N N 15 126.263 0.048 . 1 . . . A 82 PHE N . 18443 1 1004 . 1 1 83 83 VAL H H 1 9.208 0.004 . 1 . . . A 83 VAL H . 18443 1 1005 . 1 1 83 83 VAL HA H 1 4.541 0.009 . 1 . . . A 83 VAL HA . 18443 1 1006 . 1 1 83 83 VAL HB H 1 1.803 0.005 . 1 . . . A 83 VAL HB . 18443 1 1007 . 1 1 83 83 VAL HG11 H 1 0.957 0.008 . 2 . . . A 83 VAL HG11 . 18443 1 1008 . 1 1 83 83 VAL HG12 H 1 0.957 0.008 . 2 . . . A 83 VAL HG12 . 18443 1 1009 . 1 1 83 83 VAL HG13 H 1 0.957 0.008 . 2 . . . A 83 VAL HG13 . 18443 1 1010 . 1 1 83 83 VAL HG21 H 1 1.096 0.012 . 2 . . . A 83 VAL HG21 . 18443 1 1011 . 1 1 83 83 VAL HG22 H 1 1.096 0.012 . 2 . . . A 83 VAL HG22 . 18443 1 1012 . 1 1 83 83 VAL HG23 H 1 1.096 0.012 . 2 . . . A 83 VAL HG23 . 18443 1 1013 . 1 1 83 83 VAL C C 13 174.159 0.009 . 1 . . . A 83 VAL C . 18443 1 1014 . 1 1 83 83 VAL CA C 13 62.029 0.073 . 1 . . . A 83 VAL CA . 18443 1 1015 . 1 1 83 83 VAL CB C 13 35.107 0.043 . 1 . . . A 83 VAL CB . 18443 1 1016 . 1 1 83 83 VAL CG1 C 13 21.809 0.026 . 2 . . . A 83 VAL CG1 . 18443 1 1017 . 1 1 83 83 VAL CG2 C 13 21.733 0.039 . 2 . . . A 83 VAL CG2 . 18443 1 1018 . 1 1 83 83 VAL N N 15 123.703 0.088 . 1 . . . A 83 VAL N . 18443 1 1019 . 1 1 84 84 PHE H H 1 8.878 0.006 . 1 . . . A 84 PHE H . 18443 1 1020 . 1 1 84 84 PHE HA H 1 5.810 0.011 . 1 . . . A 84 PHE HA . 18443 1 1021 . 1 1 84 84 PHE HB2 H 1 2.898 0.015 . 2 . . . A 84 PHE HB2 . 18443 1 1022 . 1 1 84 84 PHE HB3 H 1 2.969 0.007 . 2 . . . A 84 PHE HB3 . 18443 1 1023 . 1 1 84 84 PHE HD1 H 1 7.088 0.010 . 3 . . . A 84 PHE HD1 . 18443 1 1024 . 1 1 84 84 PHE HD2 H 1 7.088 0.010 . 3 . . . A 84 PHE HD2 . 18443 1 1025 . 1 1 84 84 PHE HE1 H 1 6.820 0.007 . 3 . . . A 84 PHE HE1 . 18443 1 1026 . 1 1 84 84 PHE HE2 H 1 6.820 0.007 . 3 . . . A 84 PHE HE2 . 18443 1 1027 . 1 1 84 84 PHE HZ H 1 6.659 0.009 . 1 . . . A 84 PHE HZ . 18443 1 1028 . 1 1 84 84 PHE C C 13 175.481 0.000 . 1 . . . A 84 PHE C . 18443 1 1029 . 1 1 84 84 PHE CA C 13 57.253 0.063 . 1 . . . A 84 PHE CA . 18443 1 1030 . 1 1 84 84 PHE CB C 13 41.812 0.057 . 1 . . . A 84 PHE CB . 18443 1 1031 . 1 1 84 84 PHE CD1 C 13 132.121 0.035 . 3 . . . A 84 PHE CD1 . 18443 1 1032 . 1 1 84 84 PHE CD2 C 13 132.121 0.035 . 3 . . . A 84 PHE CD2 . 18443 1 1033 . 1 1 84 84 PHE CE1 C 13 131.262 0.039 . 3 . . . A 84 PHE CE1 . 18443 1 1034 . 1 1 84 84 PHE CE2 C 13 131.262 0.039 . 3 . . . A 84 PHE CE2 . 18443 1 1035 . 1 1 84 84 PHE CZ C 13 128.699 0.029 . 1 . . . A 84 PHE CZ . 18443 1 1036 . 1 1 84 84 PHE N N 15 126.003 0.038 . 1 . . . A 84 PHE N . 18443 1 1037 . 1 1 85 85 LEU H H 1 9.604 0.005 . 1 . . . A 85 LEU H . 18443 1 1038 . 1 1 85 85 LEU HA H 1 5.894 0.010 . 1 . . . A 85 LEU HA . 18443 1 1039 . 1 1 85 85 LEU HB2 H 1 1.862 0.009 . 1 . . . A 85 LEU HB2 . 18443 1 1040 . 1 1 85 85 LEU HB3 H 1 1.862 0.007 . 1 . . . A 85 LEU HB3 . 18443 1 1041 . 1 1 85 85 LEU HG H 1 1.629 0.011 . 1 . . . A 85 LEU HG . 18443 1 1042 . 1 1 85 85 LEU HD11 H 1 0.660 0.006 . 2 . . . A 85 LEU HD11 . 18443 1 1043 . 1 1 85 85 LEU HD12 H 1 0.660 0.006 . 2 . . . A 85 LEU HD12 . 18443 1 1044 . 1 1 85 85 LEU HD13 H 1 0.660 0.006 . 2 . . . A 85 LEU HD13 . 18443 1 1045 . 1 1 85 85 LEU HD21 H 1 1.077 0.009 . 2 . . . A 85 LEU HD21 . 18443 1 1046 . 1 1 85 85 LEU HD22 H 1 1.077 0.009 . 2 . . . A 85 LEU HD22 . 18443 1 1047 . 1 1 85 85 LEU HD23 H 1 1.077 0.009 . 2 . . . A 85 LEU HD23 . 18443 1 1048 . 1 1 85 85 LEU C C 13 176.528 0.000 . 1 . . . A 85 LEU C . 18443 1 1049 . 1 1 85 85 LEU CA C 13 53.370 0.059 . 1 . . . A 85 LEU CA . 18443 1 1050 . 1 1 85 85 LEU CB C 13 48.199 0.023 . 1 . . . A 85 LEU CB . 18443 1 1051 . 1 1 85 85 LEU CG C 13 27.203 0.029 . 1 . . . A 85 LEU CG . 18443 1 1052 . 1 1 85 85 LEU CD1 C 13 25.471 0.023 . 2 . . . A 85 LEU CD1 . 18443 1 1053 . 1 1 85 85 LEU CD2 C 13 23.493 0.018 . 2 . . . A 85 LEU CD2 . 18443 1 1054 . 1 1 85 85 LEU N N 15 123.597 0.051 . 1 . . . A 85 LEU N . 18443 1 1055 . 1 1 86 86 VAL H H 1 9.457 0.004 . 1 . . . A 86 VAL H . 18443 1 1056 . 1 1 86 86 VAL HA H 1 5.218 0.006 . 1 . . . A 86 VAL HA . 18443 1 1057 . 1 1 86 86 VAL HB H 1 2.160 0.008 . 1 . . . A 86 VAL HB . 18443 1 1058 . 1 1 86 86 VAL HG11 H 1 1.110 0.004 . 2 . . . A 86 VAL HG11 . 18443 1 1059 . 1 1 86 86 VAL HG12 H 1 1.110 0.004 . 2 . . . A 86 VAL HG12 . 18443 1 1060 . 1 1 86 86 VAL HG13 H 1 1.110 0.004 . 2 . . . A 86 VAL HG13 . 18443 1 1061 . 1 1 86 86 VAL HG21 H 1 1.106 0.006 . 2 . . . A 86 VAL HG21 . 18443 1 1062 . 1 1 86 86 VAL HG22 H 1 1.106 0.006 . 2 . . . A 86 VAL HG22 . 18443 1 1063 . 1 1 86 86 VAL HG23 H 1 1.106 0.006 . 2 . . . A 86 VAL HG23 . 18443 1 1064 . 1 1 86 86 VAL CA C 13 57.561 0.042 . 1 . . . A 86 VAL CA . 18443 1 1065 . 1 1 86 86 VAL CB C 13 35.493 0.025 . 1 . . . A 86 VAL CB . 18443 1 1066 . 1 1 86 86 VAL CG1 C 13 21.761 0.038 . 2 . . . A 86 VAL CG1 . 18443 1 1067 . 1 1 86 86 VAL CG2 C 13 21.830 0.112 . 2 . . . A 86 VAL CG2 . 18443 1 1068 . 1 1 86 86 VAL N N 15 118.274 0.052 . 1 . . . A 86 VAL N . 18443 1 1069 . 1 1 87 87 PRO HA H 1 3.948 0.007 . 1 . . . A 87 PRO HA . 18443 1 1070 . 1 1 87 87 PRO HB2 H 1 1.490 0.008 . 2 . . . A 87 PRO HB2 . 18443 1 1071 . 1 1 87 87 PRO HB3 H 1 1.002 0.008 . 2 . . . A 87 PRO HB3 . 18443 1 1072 . 1 1 87 87 PRO HG2 H 1 2.019 0.006 . 2 . . . A 87 PRO HG2 . 18443 1 1073 . 1 1 87 87 PRO HG3 H 1 1.786 0.008 . 2 . . . A 87 PRO HG3 . 18443 1 1074 . 1 1 87 87 PRO HD2 H 1 3.946 0.008 . 2 . . . A 87 PRO HD2 . 18443 1 1075 . 1 1 87 87 PRO HD3 H 1 3.749 0.003 . 2 . . . A 87 PRO HD3 . 18443 1 1076 . 1 1 87 87 PRO C C 13 177.132 0.000 . 1 . . . A 87 PRO C . 18443 1 1077 . 1 1 87 87 PRO CA C 13 62.363 0.080 . 1 . . . A 87 PRO CA . 18443 1 1078 . 1 1 87 87 PRO CB C 13 30.658 0.036 . 1 . . . A 87 PRO CB . 18443 1 1079 . 1 1 87 87 PRO CG C 13 26.776 0.041 . 1 . . . A 87 PRO CG . 18443 1 1080 . 1 1 87 87 PRO CD C 13 51.341 0.069 . 1 . . . A 87 PRO CD . 18443 1 1081 . 1 1 88 88 LYS H H 1 8.119 0.007 . 1 . . . A 88 LYS H . 18443 1 1082 . 1 1 88 88 LYS HA H 1 4.279 0.005 . 1 . . . A 88 LYS HA . 18443 1 1083 . 1 1 88 88 LYS HB2 H 1 1.575 0.008 . 2 . . . A 88 LYS HB2 . 18443 1 1084 . 1 1 88 88 LYS HB3 H 1 1.498 0.009 . 2 . . . A 88 LYS HB3 . 18443 1 1085 . 1 1 88 88 LYS HG2 H 1 1.325 0.007 . 2 . . . A 88 LYS HG2 . 18443 1 1086 . 1 1 88 88 LYS HG3 H 1 1.226 0.008 . 2 . . . A 88 LYS HG3 . 18443 1 1087 . 1 1 88 88 LYS HD2 H 1 1.633 0.002 . 1 . . . A 88 LYS HD2 . 18443 1 1088 . 1 1 88 88 LYS HD3 H 1 1.630 0.007 . 1 . . . A 88 LYS HD3 . 18443 1 1089 . 1 1 88 88 LYS HE2 H 1 2.904 0.008 . 1 . . . A 88 LYS HE2 . 18443 1 1090 . 1 1 88 88 LYS HE3 H 1 2.904 0.008 . 1 . . . A 88 LYS HE3 . 18443 1 1091 . 1 1 88 88 LYS C C 13 175.739 0.051 . 1 . . . A 88 LYS C . 18443 1 1092 . 1 1 88 88 LYS CA C 13 55.650 0.156 . 1 . . . A 88 LYS CA . 18443 1 1093 . 1 1 88 88 LYS CB C 13 34.698 0.030 . 1 . . . A 88 LYS CB . 18443 1 1094 . 1 1 88 88 LYS CG C 13 24.600 0.035 . 1 . . . A 88 LYS CG . 18443 1 1095 . 1 1 88 88 LYS CD C 13 29.085 0.033 . 1 . . . A 88 LYS CD . 18443 1 1096 . 1 1 88 88 LYS CE C 13 41.880 0.026 . 1 . . . A 88 LYS CE . 18443 1 1097 . 1 1 88 88 LYS N N 15 124.554 0.040 . 1 . . . A 88 LYS N . 18443 1 1098 . 1 1 89 89 ALA H H 1 9.128 0.005 . 1 . . . A 89 ALA H . 18443 1 1099 . 1 1 89 89 ALA HA H 1 3.970 0.005 . 1 . . . A 89 ALA HA . 18443 1 1100 . 1 1 89 89 ALA HB1 H 1 1.347 0.004 . 1 . . . A 89 ALA HB1 . 18443 1 1101 . 1 1 89 89 ALA HB2 H 1 1.347 0.004 . 1 . . . A 89 ALA HB2 . 18443 1 1102 . 1 1 89 89 ALA HB3 H 1 1.347 0.004 . 1 . . . A 89 ALA HB3 . 18443 1 1103 . 1 1 89 89 ALA C C 13 176.947 0.012 . 1 . . . A 89 ALA C . 18443 1 1104 . 1 1 89 89 ALA CA C 13 53.190 0.107 . 1 . . . A 89 ALA CA . 18443 1 1105 . 1 1 89 89 ALA CB C 13 17.379 0.039 . 1 . . . A 89 ALA CB . 18443 1 1106 . 1 1 89 89 ALA N N 15 130.786 0.070 . 1 . . . A 89 ALA N . 18443 1 1107 . 1 1 90 90 GLY H H 1 8.393 0.004 . 1 . . . A 90 GLY H . 18443 1 1108 . 1 1 90 90 GLY HA2 H 1 4.096 0.009 . 2 . . . A 90 GLY HA2 . 18443 1 1109 . 1 1 90 90 GLY HA3 H 1 3.503 0.006 . 2 . . . A 90 GLY HA3 . 18443 1 1110 . 1 1 90 90 GLY C C 13 173.352 0.005 . 1 . . . A 90 GLY C . 18443 1 1111 . 1 1 90 90 GLY CA C 13 45.586 0.107 . 1 . . . A 90 GLY CA . 18443 1 1112 . 1 1 90 90 GLY N N 15 106.698 0.075 . 1 . . . A 90 GLY N . 18443 1 1113 . 1 1 91 91 ALA H H 1 7.788 0.004 . 1 . . . A 91 ALA H . 18443 1 1114 . 1 1 91 91 ALA HA H 1 4.577 0.004 . 1 . . . A 91 ALA HA . 18443 1 1115 . 1 1 91 91 ALA HB1 H 1 1.499 0.006 . 1 . . . A 91 ALA HB1 . 18443 1 1116 . 1 1 91 91 ALA HB2 H 1 1.499 0.006 . 1 . . . A 91 ALA HB2 . 18443 1 1117 . 1 1 91 91 ALA HB3 H 1 1.499 0.006 . 1 . . . A 91 ALA HB3 . 18443 1 1118 . 1 1 91 91 ALA C C 13 175.940 0.010 . 1 . . . A 91 ALA C . 18443 1 1119 . 1 1 91 91 ALA CA C 13 50.462 0.117 . 1 . . . A 91 ALA CA . 18443 1 1120 . 1 1 91 91 ALA CB C 13 20.652 0.029 . 1 . . . A 91 ALA CB . 18443 1 1121 . 1 1 91 91 ALA N N 15 125.038 0.037 . 1 . . . A 91 ALA N . 18443 1 1122 . 1 1 92 92 TRP H H 1 8.235 0.004 . 1 . . . A 92 TRP H . 18443 1 1123 . 1 1 92 92 TRP HA H 1 5.140 0.009 . 1 . . . A 92 TRP HA . 18443 1 1124 . 1 1 92 92 TRP HB2 H 1 3.148 0.007 . 2 . . . A 92 TRP HB2 . 18443 1 1125 . 1 1 92 92 TRP HB3 H 1 3.057 0.011 . 2 . . . A 92 TRP HB3 . 18443 1 1126 . 1 1 92 92 TRP HD1 H 1 7.197 0.008 . 1 . . . A 92 TRP HD1 . 18443 1 1127 . 1 1 92 92 TRP HE1 H 1 10.076 0.002 . 1 . . . A 92 TRP HE1 . 18443 1 1128 . 1 1 92 92 TRP HE3 H 1 7.239 0.009 . 1 . . . A 92 TRP HE3 . 18443 1 1129 . 1 1 92 92 TRP HZ2 H 1 7.488 0.006 . 1 . . . A 92 TRP HZ2 . 18443 1 1130 . 1 1 92 92 TRP HZ3 H 1 6.868 0.007 . 1 . . . A 92 TRP HZ3 . 18443 1 1131 . 1 1 92 92 TRP HH2 H 1 7.259 0.007 . 1 . . . A 92 TRP HH2 . 18443 1 1132 . 1 1 92 92 TRP C C 13 175.960 0.000 . 1 . . . A 92 TRP C . 18443 1 1133 . 1 1 92 92 TRP CA C 13 56.851 0.105 . 1 . . . A 92 TRP CA . 18443 1 1134 . 1 1 92 92 TRP CB C 13 32.673 0.038 . 1 . . . A 92 TRP CB . 18443 1 1135 . 1 1 92 92 TRP CD1 C 13 126.593 0.048 . 1 . . . A 92 TRP CD1 . 18443 1 1136 . 1 1 92 92 TRP CE3 C 13 120.234 0.088 . 1 . . . A 92 TRP CE3 . 18443 1 1137 . 1 1 92 92 TRP CZ2 C 13 115.283 0.041 . 1 . . . A 92 TRP CZ2 . 18443 1 1138 . 1 1 92 92 TRP CZ3 C 13 121.432 0.054 . 1 . . . A 92 TRP CZ3 . 18443 1 1139 . 1 1 92 92 TRP CH2 C 13 124.566 0.039 . 1 . . . A 92 TRP CH2 . 18443 1 1140 . 1 1 92 92 TRP N N 15 120.760 0.034 . 1 . . . A 92 TRP N . 18443 1 1141 . 1 1 92 92 TRP NE1 N 15 128.691 0.060 . 1 . . . A 92 TRP NE1 . 18443 1 1142 . 1 1 93 93 GLU H H 1 9.264 0.010 . 1 . . . A 93 GLU H . 18443 1 1143 . 1 1 93 93 GLU HA H 1 4.861 0.005 . 1 . . . A 93 GLU HA . 18443 1 1144 . 1 1 93 93 GLU HB2 H 1 2.056 0.006 . 2 . . . A 93 GLU HB2 . 18443 1 1145 . 1 1 93 93 GLU HB3 H 1 1.934 0.008 . 2 . . . A 93 GLU HB3 . 18443 1 1146 . 1 1 93 93 GLU HG2 H 1 2.262 0.005 . 2 . . . A 93 GLU HG2 . 18443 1 1147 . 1 1 93 93 GLU HG3 H 1 2.161 0.009 . 2 . . . A 93 GLU HG3 . 18443 1 1148 . 1 1 93 93 GLU C C 13 175.515 0.006 . 1 . . . A 93 GLU C . 18443 1 1149 . 1 1 93 93 GLU CA C 13 54.779 0.105 . 1 . . . A 93 GLU CA . 18443 1 1150 . 1 1 93 93 GLU CB C 13 33.192 0.036 . 1 . . . A 93 GLU CB . 18443 1 1151 . 1 1 93 93 GLU CG C 13 36.376 0.030 . 1 . . . A 93 GLU CG . 18443 1 1152 . 1 1 93 93 GLU N N 15 124.341 0.038 . 1 . . . A 93 GLU N . 18443 1 1153 . 1 1 94 94 GLU H H 1 9.123 0.003 . 1 . . . A 94 GLU H . 18443 1 1154 . 1 1 94 94 GLU HA H 1 5.197 0.007 . 1 . . . A 94 GLU HA . 18443 1 1155 . 1 1 94 94 GLU HB2 H 1 2.169 0.008 . 1 . . . A 94 GLU HB2 . 18443 1 1156 . 1 1 94 94 GLU HB3 H 1 2.168 0.009 . 1 . . . A 94 GLU HB3 . 18443 1 1157 . 1 1 94 94 GLU HG2 H 1 2.670 0.005 . 2 . . . A 94 GLU HG2 . 18443 1 1158 . 1 1 94 94 GLU HG3 H 1 2.178 0.008 . 2 . . . A 94 GLU HG3 . 18443 1 1159 . 1 1 94 94 GLU C C 13 177.604 0.019 . 1 . . . A 94 GLU C . 18443 1 1160 . 1 1 94 94 GLU CA C 13 56.604 0.090 . 1 . . . A 94 GLU CA . 18443 1 1161 . 1 1 94 94 GLU CB C 13 30.078 0.011 . 1 . . . A 94 GLU CB . 18443 1 1162 . 1 1 94 94 GLU CG C 13 37.412 0.030 . 1 . . . A 94 GLU CG . 18443 1 1163 . 1 1 94 94 GLU N N 15 126.987 0.045 . 1 . . . A 94 GLU N . 18443 1 1164 . 1 1 95 95 VAL H H 1 9.099 0.006 . 1 . . . A 95 VAL H . 18443 1 1165 . 1 1 95 95 VAL HA H 1 4.692 0.003 . 1 . . . A 95 VAL HA . 18443 1 1166 . 1 1 95 95 VAL HB H 1 2.336 0.002 . 1 . . . A 95 VAL HB . 18443 1 1167 . 1 1 95 95 VAL HG11 H 1 1.058 0.010 . 2 . . . A 95 VAL HG11 . 18443 1 1168 . 1 1 95 95 VAL HG12 H 1 1.058 0.010 . 2 . . . A 95 VAL HG12 . 18443 1 1169 . 1 1 95 95 VAL HG13 H 1 1.058 0.010 . 2 . . . A 95 VAL HG13 . 18443 1 1170 . 1 1 95 95 VAL HG21 H 1 0.941 0.008 . 2 . . . A 95 VAL HG21 . 18443 1 1171 . 1 1 95 95 VAL HG22 H 1 0.941 0.008 . 2 . . . A 95 VAL HG22 . 18443 1 1172 . 1 1 95 95 VAL HG23 H 1 0.941 0.008 . 2 . . . A 95 VAL HG23 . 18443 1 1173 . 1 1 95 95 VAL C C 13 175.719 0.000 . 1 . . . A 95 VAL C . 18443 1 1174 . 1 1 95 95 VAL CA C 13 61.335 0.080 . 1 . . . A 95 VAL CA . 18443 1 1175 . 1 1 95 95 VAL CB C 13 33.265 0.025 . 1 . . . A 95 VAL CB . 18443 1 1176 . 1 1 95 95 VAL CG1 C 13 22.363 0.007 . 2 . . . A 95 VAL CG1 . 18443 1 1177 . 1 1 95 95 VAL CG2 C 13 20.448 0.013 . 2 . . . A 95 VAL CG2 . 18443 1 1178 . 1 1 95 95 VAL N N 15 122.004 0.076 . 1 . . . A 95 VAL N . 18443 1 1179 . 1 1 96 96 GLY H H 1 7.754 0.004 . 1 . . . A 96 GLY H . 18443 1 1180 . 1 1 96 96 GLY HA2 H 1 4.472 0.007 . 2 . . . A 96 GLY HA2 . 18443 1 1181 . 1 1 96 96 GLY HA3 H 1 4.196 0.006 . 2 . . . A 96 GLY HA3 . 18443 1 1182 . 1 1 96 96 GLY C C 13 171.052 0.010 . 1 . . . A 96 GLY C . 18443 1 1183 . 1 1 96 96 GLY CA C 13 46.112 0.095 . 1 . . . A 96 GLY CA . 18443 1 1184 . 1 1 96 96 GLY N N 15 107.961 0.042 . 1 . . . A 96 GLY N . 18443 1 1185 . 1 1 97 97 ARG H H 1 8.489 0.004 . 1 . . . A 97 ARG H . 18443 1 1186 . 1 1 97 97 ARG HA H 1 5.677 0.005 . 1 . . . A 97 ARG HA . 18443 1 1187 . 1 1 97 97 ARG HB2 H 1 2.242 0.011 . 2 . . . A 97 ARG HB2 . 18443 1 1188 . 1 1 97 97 ARG HB3 H 1 1.996 0.011 . 2 . . . A 97 ARG HB3 . 18443 1 1189 . 1 1 97 97 ARG HG2 H 1 1.731 0.014 . 2 . . . A 97 ARG HG2 . 18443 1 1190 . 1 1 97 97 ARG HG3 H 1 1.554 0.006 . 2 . . . A 97 ARG HG3 . 18443 1 1191 . 1 1 97 97 ARG HD2 H 1 3.381 0.005 . 2 . . . A 97 ARG HD2 . 18443 1 1192 . 1 1 97 97 ARG HD3 H 1 3.093 0.008 . 2 . . . A 97 ARG HD3 . 18443 1 1193 . 1 1 97 97 ARG HE H 1 9.138 0.005 . 1 . . . A 97 ARG HE . 18443 1 1194 . 1 1 97 97 ARG C C 13 174.403 0.068 . 1 . . . A 97 ARG C . 18443 1 1195 . 1 1 97 97 ARG CA C 13 55.626 0.074 . 1 . . . A 97 ARG CA . 18443 1 1196 . 1 1 97 97 ARG CB C 13 34.313 0.030 . 1 . . . A 97 ARG CB . 18443 1 1197 . 1 1 97 97 ARG CG C 13 25.571 0.004 . 1 . . . A 97 ARG CG . 18443 1 1198 . 1 1 97 97 ARG CD C 13 44.250 0.098 . 1 . . . A 97 ARG CD . 18443 1 1199 . 1 1 97 97 ARG N N 15 117.467 0.040 . 1 . . . A 97 ARG N . 18443 1 1200 . 1 1 97 97 ARG NE N 15 86.849 0.037 . 1 . . . A 97 ARG NE . 18443 1 1201 . 1 1 98 98 LEU H H 1 9.504 0.006 . 1 . . . A 98 LEU H . 18443 1 1202 . 1 1 98 98 LEU HA H 1 4.925 0.011 . 1 . . . A 98 LEU HA . 18443 1 1203 . 1 1 98 98 LEU HB2 H 1 2.029 0.007 . 2 . . . A 98 LEU HB2 . 18443 1 1204 . 1 1 98 98 LEU HB3 H 1 1.726 0.013 . 2 . . . A 98 LEU HB3 . 18443 1 1205 . 1 1 98 98 LEU HG H 1 1.843 0.018 . 1 . . . A 98 LEU HG . 18443 1 1206 . 1 1 98 98 LEU HD11 H 1 0.894 0.009 . 2 . . . A 98 LEU HD11 . 18443 1 1207 . 1 1 98 98 LEU HD12 H 1 0.894 0.009 . 2 . . . A 98 LEU HD12 . 18443 1 1208 . 1 1 98 98 LEU HD13 H 1 0.894 0.009 . 2 . . . A 98 LEU HD13 . 18443 1 1209 . 1 1 98 98 LEU HD21 H 1 1.003 0.007 . 2 . . . A 98 LEU HD21 . 18443 1 1210 . 1 1 98 98 LEU HD22 H 1 1.003 0.007 . 2 . . . A 98 LEU HD22 . 18443 1 1211 . 1 1 98 98 LEU HD23 H 1 1.003 0.007 . 2 . . . A 98 LEU HD23 . 18443 1 1212 . 1 1 98 98 LEU C C 13 174.871 0.000 . 1 . . . A 98 LEU C . 18443 1 1213 . 1 1 98 98 LEU CA C 13 53.971 0.076 . 1 . . . A 98 LEU CA . 18443 1 1214 . 1 1 98 98 LEU CB C 13 46.542 0.038 . 1 . . . A 98 LEU CB . 18443 1 1215 . 1 1 98 98 LEU CG C 13 27.194 0.050 . 1 . . . A 98 LEU CG . 18443 1 1216 . 1 1 98 98 LEU CD1 C 13 26.071 0.053 . 2 . . . A 98 LEU CD1 . 18443 1 1217 . 1 1 98 98 LEU CD2 C 13 23.634 0.026 . 2 . . . A 98 LEU CD2 . 18443 1 1218 . 1 1 98 98 LEU N N 15 122.922 0.061 . 1 . . . A 98 LEU N . 18443 1 1219 . 1 1 99 99 PHE H H 1 9.146 0.004 . 1 . . . A 99 PHE H . 18443 1 1220 . 1 1 99 99 PHE HA H 1 5.648 0.010 . 1 . . . A 99 PHE HA . 18443 1 1221 . 1 1 99 99 PHE HB2 H 1 3.016 0.005 . 2 . . . A 99 PHE HB2 . 18443 1 1222 . 1 1 99 99 PHE HB3 H 1 3.172 0.009 . 2 . . . A 99 PHE HB3 . 18443 1 1223 . 1 1 99 99 PHE HD1 H 1 7.345 0.007 . 3 . . . A 99 PHE HD1 . 18443 1 1224 . 1 1 99 99 PHE HD2 H 1 7.345 0.007 . 3 . . . A 99 PHE HD2 . 18443 1 1225 . 1 1 99 99 PHE HE1 H 1 7.062 0.006 . 3 . . . A 99 PHE HE1 . 18443 1 1226 . 1 1 99 99 PHE HE2 H 1 7.062 0.006 . 3 . . . A 99 PHE HE2 . 18443 1 1227 . 1 1 99 99 PHE CA C 13 55.751 0.036 . 1 . . . A 99 PHE CA . 18443 1 1228 . 1 1 99 99 PHE CB C 13 41.232 0.030 . 1 . . . A 99 PHE CB . 18443 1 1229 . 1 1 99 99 PHE CD1 C 13 132.591 0.040 . 3 . . . A 99 PHE CD1 . 18443 1 1230 . 1 1 99 99 PHE CD2 C 13 132.591 0.040 . 3 . . . A 99 PHE CD2 . 18443 1 1231 . 1 1 99 99 PHE CE1 C 13 130.647 0.029 . 3 . . . A 99 PHE CE1 . 18443 1 1232 . 1 1 99 99 PHE CE2 C 13 130.647 0.029 . 3 . . . A 99 PHE CE2 . 18443 1 1233 . 1 1 99 99 PHE N N 15 124.212 0.038 . 1 . . . A 99 PHE N . 18443 1 1234 . 1 1 100 100 GLY H H 1 8.464 0.008 . 1 . . . A 100 GLY H . 18443 1 1235 . 1 1 100 100 GLY HA2 H 1 3.275 0.005 . 2 . . . A 100 GLY HA2 . 18443 1 1236 . 1 1 100 100 GLY HA3 H 1 4.177 0.006 . 2 . . . A 100 GLY HA3 . 18443 1 1237 . 1 1 100 100 GLY C C 13 173.343 0.009 . 1 . . . A 100 GLY C . 18443 1 1238 . 1 1 100 100 GLY CA C 13 43.436 0.107 . 1 . . . A 100 GLY CA . 18443 1 1239 . 1 1 100 100 GLY N N 15 116.438 0.030 . 1 . . . A 100 GLY N . 18443 1 1240 . 1 1 101 101 SER H H 1 8.366 0.010 . 1 . . . A 101 SER H . 18443 1 1241 . 1 1 101 101 SER HA H 1 4.616 0.006 . 1 . . . A 101 SER HA . 18443 1 1242 . 1 1 101 101 SER HB2 H 1 3.947 0.006 . 2 . . . A 101 SER HB2 . 18443 1 1243 . 1 1 101 101 SER HB3 H 1 3.866 0.009 . 2 . . . A 101 SER HB3 . 18443 1 1244 . 1 1 101 101 SER C C 13 175.075 0.050 . 1 . . . A 101 SER C . 18443 1 1245 . 1 1 101 101 SER CA C 13 58.288 0.109 . 1 . . . A 101 SER CA . 18443 1 1246 . 1 1 101 101 SER CB C 13 64.305 0.044 . 1 . . . A 101 SER CB . 18443 1 1247 . 1 1 101 101 SER N N 15 112.597 0.050 . 1 . . . A 101 SER N . 18443 1 1248 . 1 1 102 102 ARG H H 1 7.767 0.004 . 1 . . . A 102 ARG H . 18443 1 1249 . 1 1 102 102 ARG HA H 1 4.931 0.008 . 1 . . . A 102 ARG HA . 18443 1 1250 . 1 1 102 102 ARG HB2 H 1 1.988 0.013 . 2 . . . A 102 ARG HB2 . 18443 1 1251 . 1 1 102 102 ARG HB3 H 1 1.711 0.005 . 2 . . . A 102 ARG HB3 . 18443 1 1252 . 1 1 102 102 ARG CA C 13 52.820 0.084 . 1 . . . A 102 ARG CA . 18443 1 1253 . 1 1 102 102 ARG CB C 13 31.442 0.003 . 1 . . . A 102 ARG CB . 18443 1 1254 . 1 1 102 102 ARG N N 15 119.662 0.049 . 1 . . . A 102 ARG N . 18443 1 1255 . 1 1 103 103 PRO HA H 1 4.551 0.005 . 1 . . . A 103 PRO HA . 18443 1 1256 . 1 1 103 103 PRO HB2 H 1 2.529 0.003 . 2 . . . A 103 PRO HB2 . 18443 1 1257 . 1 1 103 103 PRO HB3 H 1 2.124 0.006 . 2 . . . A 103 PRO HB3 . 18443 1 1258 . 1 1 103 103 PRO HG2 H 1 2.083 0.003 . 1 . . . A 103 PRO HG2 . 18443 1 1259 . 1 1 103 103 PRO HG3 H 1 2.083 0.003 . 1 . . . A 103 PRO HG3 . 18443 1 1260 . 1 1 103 103 PRO HD2 H 1 3.867 0.010 . 2 . . . A 103 PRO HD2 . 18443 1 1261 . 1 1 103 103 PRO HD3 H 1 3.593 0.006 . 2 . . . A 103 PRO HD3 . 18443 1 1262 . 1 1 103 103 PRO C C 13 177.345 0.013 . 1 . . . A 103 PRO C . 18443 1 1263 . 1 1 103 103 PRO CA C 13 62.076 0.076 . 1 . . . A 103 PRO CA . 18443 1 1264 . 1 1 103 103 PRO CB C 13 32.868 0.093 . 1 . . . A 103 PRO CB . 18443 1 1265 . 1 1 103 103 PRO CG C 13 27.856 0.037 . 1 . . . A 103 PRO CG . 18443 1 1266 . 1 1 103 103 PRO CD C 13 50.704 0.036 . 1 . . . A 103 PRO CD . 18443 1 1267 . 1 1 104 104 ARG H H 1 8.986 0.005 . 1 . . . A 104 ARG H . 18443 1 1268 . 1 1 104 104 ARG HA H 1 3.932 0.007 . 1 . . . A 104 ARG HA . 18443 1 1269 . 1 1 104 104 ARG HB2 H 1 2.056 0.003 . 2 . . . A 104 ARG HB2 . 18443 1 1270 . 1 1 104 104 ARG HB3 H 1 2.000 0.005 . 2 . . . A 104 ARG HB3 . 18443 1 1271 . 1 1 104 104 ARG HG2 H 1 1.756 0.008 . 1 . . . A 104 ARG HG2 . 18443 1 1272 . 1 1 104 104 ARG HG3 H 1 1.756 0.008 . 1 . . . A 104 ARG HG3 . 18443 1 1273 . 1 1 104 104 ARG HD2 H 1 3.400 0.002 . 2 . . . A 104 ARG HD2 . 18443 1 1274 . 1 1 104 104 ARG HD3 H 1 3.350 0.001 . 2 . . . A 104 ARG HD3 . 18443 1 1275 . 1 1 104 104 ARG C C 13 177.368 0.008 . 1 . . . A 104 ARG C . 18443 1 1276 . 1 1 104 104 ARG CA C 13 60.911 0.080 . 1 . . . A 104 ARG CA . 18443 1 1277 . 1 1 104 104 ARG CB C 13 30.164 0.032 . 1 . . . A 104 ARG CB . 18443 1 1278 . 1 1 104 104 ARG CG C 13 26.595 0.050 . 1 . . . A 104 ARG CG . 18443 1 1279 . 1 1 104 104 ARG CD C 13 43.374 0.034 . 1 . . . A 104 ARG CD . 18443 1 1280 . 1 1 104 104 ARG N N 15 121.205 0.042 . 1 . . . A 104 ARG N . 18443 1 1281 . 1 1 105 105 ALA H H 1 9.033 0.006 . 1 . . . A 105 ALA H . 18443 1 1282 . 1 1 105 105 ALA HA H 1 4.109 0.007 . 1 . . . A 105 ALA HA . 18443 1 1283 . 1 1 105 105 ALA HB1 H 1 1.508 0.006 . 1 . . . A 105 ALA HB1 . 18443 1 1284 . 1 1 105 105 ALA HB2 H 1 1.508 0.006 . 1 . . . A 105 ALA HB2 . 18443 1 1285 . 1 1 105 105 ALA HB3 H 1 1.508 0.006 . 1 . . . A 105 ALA HB3 . 18443 1 1286 . 1 1 105 105 ALA C C 13 181.065 0.012 . 1 . . . A 105 ALA C . 18443 1 1287 . 1 1 105 105 ALA CA C 13 55.745 0.099 . 1 . . . A 105 ALA CA . 18443 1 1288 . 1 1 105 105 ALA CB C 13 18.296 0.032 . 1 . . . A 105 ALA CB . 18443 1 1289 . 1 1 105 105 ALA N N 15 119.508 0.064 . 1 . . . A 105 ALA N . 18443 1 1290 . 1 1 106 106 GLU H H 1 7.201 0.003 . 1 . . . A 106 GLU H . 18443 1 1291 . 1 1 106 106 GLU HA H 1 4.129 0.009 . 1 . . . A 106 GLU HA . 18443 1 1292 . 1 1 106 106 GLU HB2 H 1 2.066 0.012 . 1 . . . A 106 GLU HB2 . 18443 1 1293 . 1 1 106 106 GLU HB3 H 1 2.066 0.012 . 1 . . . A 106 GLU HB3 . 18443 1 1294 . 1 1 106 106 GLU HG2 H 1 2.406 0.006 . 1 . . . A 106 GLU HG2 . 18443 1 1295 . 1 1 106 106 GLU HG3 H 1 2.406 0.006 . 1 . . . A 106 GLU HG3 . 18443 1 1296 . 1 1 106 106 GLU C C 13 178.041 0.042 . 1 . . . A 106 GLU C . 18443 1 1297 . 1 1 106 106 GLU CA C 13 58.793 0.073 . 1 . . . A 106 GLU CA . 18443 1 1298 . 1 1 106 106 GLU CB C 13 30.234 0.016 . 1 . . . A 106 GLU CB . 18443 1 1299 . 1 1 106 106 GLU CG C 13 36.313 0.018 . 1 . . . A 106 GLU CG . 18443 1 1300 . 1 1 106 106 GLU N N 15 117.537 0.046 . 1 . . . A 106 GLU N . 18443 1 1301 . 1 1 107 107 PHE H H 1 8.555 0.005 . 1 . . . A 107 PHE H . 18443 1 1302 . 1 1 107 107 PHE HA H 1 4.184 0.010 . 1 . . . A 107 PHE HA . 18443 1 1303 . 1 1 107 107 PHE HB2 H 1 2.806 0.014 . 1 . . . A 107 PHE HB2 . 18443 1 1304 . 1 1 107 107 PHE HB3 H 1 2.806 0.014 . 1 . . . A 107 PHE HB3 . 18443 1 1305 . 1 1 107 107 PHE HD1 H 1 6.712 0.011 . 3 . . . A 107 PHE HD1 . 18443 1 1306 . 1 1 107 107 PHE HD2 H 1 6.712 0.011 . 3 . . . A 107 PHE HD2 . 18443 1 1307 . 1 1 107 107 PHE HE1 H 1 6.302 0.004 . 3 . . . A 107 PHE HE1 . 18443 1 1308 . 1 1 107 107 PHE HE2 H 1 6.302 0.004 . 3 . . . A 107 PHE HE2 . 18443 1 1309 . 1 1 107 107 PHE C C 13 177.235 0.070 . 1 . . . A 107 PHE C . 18443 1 1310 . 1 1 107 107 PHE CA C 13 61.743 0.118 . 1 . . . A 107 PHE CA . 18443 1 1311 . 1 1 107 107 PHE CB C 13 40.083 0.065 . 1 . . . A 107 PHE CB . 18443 1 1312 . 1 1 107 107 PHE CD1 C 13 130.818 0.064 . 3 . . . A 107 PHE CD1 . 18443 1 1313 . 1 1 107 107 PHE CD2 C 13 130.818 0.064 . 3 . . . A 107 PHE CD2 . 18443 1 1314 . 1 1 107 107 PHE CE1 C 13 130.555 0.066 . 3 . . . A 107 PHE CE1 . 18443 1 1315 . 1 1 107 107 PHE CE2 C 13 130.555 0.066 . 3 . . . A 107 PHE CE2 . 18443 1 1316 . 1 1 107 107 PHE N N 15 120.721 0.050 . 1 . . . A 107 PHE N . 18443 1 1317 . 1 1 108 108 LEU H H 1 8.364 0.005 . 1 . . . A 108 LEU H . 18443 1 1318 . 1 1 108 108 LEU HA H 1 3.831 0.007 . 1 . . . A 108 LEU HA . 18443 1 1319 . 1 1 108 108 LEU HB2 H 1 1.686 0.006 . 1 . . . A 108 LEU HB2 . 18443 1 1320 . 1 1 108 108 LEU HB3 H 1 1.686 0.006 . 1 . . . A 108 LEU HB3 . 18443 1 1321 . 1 1 108 108 LEU HG H 1 1.606 0.005 . 1 . . . A 108 LEU HG . 18443 1 1322 . 1 1 108 108 LEU HD11 H 1 0.905 0.007 . 2 . . . A 108 LEU HD11 . 18443 1 1323 . 1 1 108 108 LEU HD12 H 1 0.905 0.007 . 2 . . . A 108 LEU HD12 . 18443 1 1324 . 1 1 108 108 LEU HD13 H 1 0.905 0.007 . 2 . . . A 108 LEU HD13 . 18443 1 1325 . 1 1 108 108 LEU HD21 H 1 0.901 0.009 . 2 . . . A 108 LEU HD21 . 18443 1 1326 . 1 1 108 108 LEU HD22 H 1 0.901 0.009 . 2 . . . A 108 LEU HD22 . 18443 1 1327 . 1 1 108 108 LEU HD23 H 1 0.901 0.009 . 2 . . . A 108 LEU HD23 . 18443 1 1328 . 1 1 108 108 LEU C C 13 178.406 0.000 . 1 . . . A 108 LEU C . 18443 1 1329 . 1 1 108 108 LEU CA C 13 58.484 0.082 . 1 . . . A 108 LEU CA . 18443 1 1330 . 1 1 108 108 LEU CB C 13 42.152 0.050 . 1 . . . A 108 LEU CB . 18443 1 1331 . 1 1 108 108 LEU CG C 13 27.296 0.001 . 1 . . . A 108 LEU CG . 18443 1 1332 . 1 1 108 108 LEU CD1 C 13 25.198 0.050 . 2 . . . A 108 LEU CD1 . 18443 1 1333 . 1 1 108 108 LEU CD2 C 13 24.661 0.026 . 2 . . . A 108 LEU CD2 . 18443 1 1334 . 1 1 108 108 LEU N N 15 117.219 0.064 . 1 . . . A 108 LEU N . 18443 1 1335 . 1 1 109 109 LYS H H 1 7.330 0.006 . 1 . . . A 109 LYS H . 18443 1 1336 . 1 1 109 109 LYS HA H 1 3.901 0.011 . 1 . . . A 109 LYS HA . 18443 1 1337 . 1 1 109 109 LYS HB2 H 1 2.001 0.010 . 1 . . . A 109 LYS HB2 . 18443 1 1338 . 1 1 109 109 LYS HB3 H 1 1.999 0.010 . 1 . . . A 109 LYS HB3 . 18443 1 1339 . 1 1 109 109 LYS HG2 H 1 1.609 0.003 . 2 . . . A 109 LYS HG2 . 18443 1 1340 . 1 1 109 109 LYS HG3 H 1 1.336 0.004 . 2 . . . A 109 LYS HG3 . 18443 1 1341 . 1 1 109 109 LYS HD2 H 1 1.711 0.003 . 1 . . . A 109 LYS HD2 . 18443 1 1342 . 1 1 109 109 LYS HD3 H 1 1.711 0.003 . 1 . . . A 109 LYS HD3 . 18443 1 1343 . 1 1 109 109 LYS HE2 H 1 2.955 0.011 . 1 . . . A 109 LYS HE2 . 18443 1 1344 . 1 1 109 109 LYS HE3 H 1 2.955 0.011 . 1 . . . A 109 LYS HE3 . 18443 1 1345 . 1 1 109 109 LYS C C 13 179.696 0.020 . 1 . . . A 109 LYS C . 18443 1 1346 . 1 1 109 109 LYS CA C 13 60.182 0.084 . 1 . . . A 109 LYS CA . 18443 1 1347 . 1 1 109 109 LYS CB C 13 32.266 0.022 . 1 . . . A 109 LYS CB . 18443 1 1348 . 1 1 109 109 LYS CG C 13 24.861 0.060 . 1 . . . A 109 LYS CG . 18443 1 1349 . 1 1 109 109 LYS CD C 13 29.573 0.050 . 1 . . . A 109 LYS CD . 18443 1 1350 . 1 1 109 109 LYS CE C 13 41.858 0.028 . 1 . . . A 109 LYS CE . 18443 1 1351 . 1 1 109 109 LYS N N 15 118.680 0.073 . 1 . . . A 109 LYS N . 18443 1 1352 . 1 1 110 110 GLU H H 1 8.077 0.004 . 1 . . . A 110 GLU H . 18443 1 1353 . 1 1 110 110 GLU HA H 1 3.961 0.007 . 1 . . . A 110 GLU HA . 18443 1 1354 . 1 1 110 110 GLU HB2 H 1 1.765 0.008 . 1 . . . A 110 GLU HB2 . 18443 1 1355 . 1 1 110 110 GLU HB3 H 1 1.765 0.008 . 1 . . . A 110 GLU HB3 . 18443 1 1356 . 1 1 110 110 GLU C C 13 179.903 0.050 . 1 . . . A 110 GLU C . 18443 1 1357 . 1 1 110 110 GLU CA C 13 59.124 0.028 . 1 . . . A 110 GLU CA . 18443 1 1358 . 1 1 110 110 GLU CB C 13 28.772 0.015 . 1 . . . A 110 GLU CB . 18443 1 1359 . 1 1 110 110 GLU N N 15 119.802 0.037 . 1 . . . A 110 GLU N . 18443 1 1360 . 1 1 111 111 LEU H H 1 8.341 0.004 . 1 . . . A 111 LEU H . 18443 1 1361 . 1 1 111 111 LEU HA H 1 3.532 0.008 . 1 . . . A 111 LEU HA . 18443 1 1362 . 1 1 111 111 LEU HB2 H 1 1.111 0.008 . 2 . . . A 111 LEU HB2 . 18443 1 1363 . 1 1 111 111 LEU HB3 H 1 1.744 0.008 . 2 . . . A 111 LEU HB3 . 18443 1 1364 . 1 1 111 111 LEU HG H 1 1.060 0.007 . 1 . . . A 111 LEU HG . 18443 1 1365 . 1 1 111 111 LEU HD11 H 1 0.431 0.008 . 2 . . . A 111 LEU HD11 . 18443 1 1366 . 1 1 111 111 LEU HD12 H 1 0.431 0.008 . 2 . . . A 111 LEU HD12 . 18443 1 1367 . 1 1 111 111 LEU HD13 H 1 0.431 0.008 . 2 . . . A 111 LEU HD13 . 18443 1 1368 . 1 1 111 111 LEU HD21 H 1 0.214 0.007 . 2 . . . A 111 LEU HD21 . 18443 1 1369 . 1 1 111 111 LEU HD22 H 1 0.214 0.007 . 2 . . . A 111 LEU HD22 . 18443 1 1370 . 1 1 111 111 LEU HD23 H 1 0.214 0.007 . 2 . . . A 111 LEU HD23 . 18443 1 1371 . 1 1 111 111 LEU C C 13 179.792 0.050 . 1 . . . A 111 LEU C . 18443 1 1372 . 1 1 111 111 LEU CA C 13 57.434 0.073 . 1 . . . A 111 LEU CA . 18443 1 1373 . 1 1 111 111 LEU CB C 13 42.728 0.035 . 1 . . . A 111 LEU CB . 18443 1 1374 . 1 1 111 111 LEU CG C 13 26.067 0.074 . 1 . . . A 111 LEU CG . 18443 1 1375 . 1 1 111 111 LEU CD1 C 13 26.458 0.030 . 2 . . . A 111 LEU CD1 . 18443 1 1376 . 1 1 111 111 LEU CD2 C 13 23.405 0.022 . 2 . . . A 111 LEU CD2 . 18443 1 1377 . 1 1 111 111 LEU N N 15 120.129 0.053 . 1 . . . A 111 LEU N . 18443 1 1378 . 1 1 112 112 ARG H H 1 8.166 0.006 . 1 . . . A 112 ARG H . 18443 1 1379 . 1 1 112 112 ARG HA H 1 3.896 0.005 . 1 . . . A 112 ARG HA . 18443 1 1380 . 1 1 112 112 ARG HB2 H 1 1.943 0.050 . 2 . . . A 112 ARG HB2 . 18443 1 1381 . 1 1 112 112 ARG HB3 H 1 1.869 0.008 . 2 . . . A 112 ARG HB3 . 18443 1 1382 . 1 1 112 112 ARG HG2 H 1 1.866 0.007 . 2 . . . A 112 ARG HG2 . 18443 1 1383 . 1 1 112 112 ARG HG3 H 1 1.592 0.005 . 2 . . . A 112 ARG HG3 . 18443 1 1384 . 1 1 112 112 ARG HD2 H 1 3.147 0.006 . 1 . . . A 112 ARG HD2 . 18443 1 1385 . 1 1 112 112 ARG HD3 H 1 3.148 0.005 . 1 . . . A 112 ARG HD3 . 18443 1 1386 . 1 1 112 112 ARG C C 13 179.446 0.008 . 1 . . . A 112 ARG C . 18443 1 1387 . 1 1 112 112 ARG CA C 13 60.323 0.141 . 1 . . . A 112 ARG CA . 18443 1 1388 . 1 1 112 112 ARG CB C 13 29.878 0.055 . 1 . . . A 112 ARG CB . 18443 1 1389 . 1 1 112 112 ARG CG C 13 28.755 0.026 . 1 . . . A 112 ARG CG . 18443 1 1390 . 1 1 112 112 ARG CD C 13 43.545 0.019 . 1 . . . A 112 ARG CD . 18443 1 1391 . 1 1 112 112 ARG N N 15 118.350 0.057 . 1 . . . A 112 ARG N . 18443 1 1392 . 1 1 113 113 GLN H H 1 7.842 0.005 . 1 . . . A 113 GLN H . 18443 1 1393 . 1 1 113 113 GLN HA H 1 4.093 0.008 . 1 . . . A 113 GLN HA . 18443 1 1394 . 1 1 113 113 GLN HB2 H 1 2.218 0.008 . 2 . . . A 113 GLN HB2 . 18443 1 1395 . 1 1 113 113 GLN HB3 H 1 2.134 0.009 . 2 . . . A 113 GLN HB3 . 18443 1 1396 . 1 1 113 113 GLN HG2 H 1 2.524 0.002 . 2 . . . A 113 GLN HG2 . 18443 1 1397 . 1 1 113 113 GLN HG3 H 1 2.422 0.006 . 2 . . . A 113 GLN HG3 . 18443 1 1398 . 1 1 113 113 GLN HE21 H 1 6.931 0.004 . 1 . . . A 113 GLN HE21 . 18443 1 1399 . 1 1 113 113 GLN HE22 H 1 7.341 0.005 . 1 . . . A 113 GLN HE22 . 18443 1 1400 . 1 1 113 113 GLN C C 13 179.137 0.002 . 1 . . . A 113 GLN C . 18443 1 1401 . 1 1 113 113 GLN CA C 13 58.831 0.117 . 1 . . . A 113 GLN CA . 18443 1 1402 . 1 1 113 113 GLN CB C 13 28.470 0.022 . 1 . . . A 113 GLN CB . 18443 1 1403 . 1 1 113 113 GLN CG C 13 34.298 0.035 . 1 . . . A 113 GLN CG . 18443 1 1404 . 1 1 113 113 GLN N N 15 118.358 0.056 . 1 . . . A 113 GLN N . 18443 1 1405 . 1 1 113 113 GLN NE2 N 15 111.195 0.041 . 1 . . . A 113 GLN NE2 . 18443 1 1406 . 1 1 114 114 VAL H H 1 7.947 0.006 . 1 . . . A 114 VAL H . 18443 1 1407 . 1 1 114 114 VAL HA H 1 3.651 0.006 . 1 . . . A 114 VAL HA . 18443 1 1408 . 1 1 114 114 VAL HB H 1 1.873 0.008 . 1 . . . A 114 VAL HB . 18443 1 1409 . 1 1 114 114 VAL HG11 H 1 0.606 0.008 . 2 . . . A 114 VAL HG11 . 18443 1 1410 . 1 1 114 114 VAL HG12 H 1 0.606 0.008 . 2 . . . A 114 VAL HG12 . 18443 1 1411 . 1 1 114 114 VAL HG13 H 1 0.606 0.008 . 2 . . . A 114 VAL HG13 . 18443 1 1412 . 1 1 114 114 VAL HG21 H 1 0.410 0.011 . 2 . . . A 114 VAL HG21 . 18443 1 1413 . 1 1 114 114 VAL HG22 H 1 0.410 0.011 . 2 . . . A 114 VAL HG22 . 18443 1 1414 . 1 1 114 114 VAL HG23 H 1 0.410 0.011 . 2 . . . A 114 VAL HG23 . 18443 1 1415 . 1 1 114 114 VAL C C 13 177.853 0.034 . 1 . . . A 114 VAL C . 18443 1 1416 . 1 1 114 114 VAL CA C 13 66.063 0.083 . 1 . . . A 114 VAL CA . 18443 1 1417 . 1 1 114 114 VAL CB C 13 31.239 0.038 . 1 . . . A 114 VAL CB . 18443 1 1418 . 1 1 114 114 VAL CG1 C 13 21.196 0.024 . 2 . . . A 114 VAL CG1 . 18443 1 1419 . 1 1 114 114 VAL CG2 C 13 22.185 0.024 . 2 . . . A 114 VAL CG2 . 18443 1 1420 . 1 1 114 114 VAL N N 15 120.174 0.045 . 1 . . . A 114 VAL N . 18443 1 1421 . 1 1 115 115 CYS H H 1 7.801 0.003 . 1 . . . A 115 CYS H . 18443 1 1422 . 1 1 115 115 CYS HA H 1 4.080 0.005 . 1 . . . A 115 CYS HA . 18443 1 1423 . 1 1 115 115 CYS HB2 H 1 3.204 0.004 . 2 . . . A 115 CYS HB2 . 18443 1 1424 . 1 1 115 115 CYS HB3 H 1 2.844 0.004 . 2 . . . A 115 CYS HB3 . 18443 1 1425 . 1 1 115 115 CYS C C 13 177.204 0.022 . 1 . . . A 115 CYS C . 18443 1 1426 . 1 1 115 115 CYS CA C 13 63.574 0.099 . 1 . . . A 115 CYS CA . 18443 1 1427 . 1 1 115 115 CYS CB C 13 26.757 0.036 . 1 . . . A 115 CYS CB . 18443 1 1428 . 1 1 115 115 CYS N N 15 117.549 0.045 . 1 . . . A 115 CYS N . 18443 1 1429 . 1 1 116 116 VAL H H 1 7.465 0.004 . 1 . . . A 116 VAL H . 18443 1 1430 . 1 1 116 116 VAL HA H 1 3.853 0.005 . 1 . . . A 116 VAL HA . 18443 1 1431 . 1 1 116 116 VAL HB H 1 2.246 0.005 . 1 . . . A 116 VAL HB . 18443 1 1432 . 1 1 116 116 VAL HG11 H 1 1.062 0.005 . 2 . . . A 116 VAL HG11 . 18443 1 1433 . 1 1 116 116 VAL HG12 H 1 1.062 0.005 . 2 . . . A 116 VAL HG12 . 18443 1 1434 . 1 1 116 116 VAL HG13 H 1 1.062 0.005 . 2 . . . A 116 VAL HG13 . 18443 1 1435 . 1 1 116 116 VAL HG21 H 1 0.976 0.006 . 2 . . . A 116 VAL HG21 . 18443 1 1436 . 1 1 116 116 VAL HG22 H 1 0.976 0.006 . 2 . . . A 116 VAL HG22 . 18443 1 1437 . 1 1 116 116 VAL HG23 H 1 0.976 0.006 . 2 . . . A 116 VAL HG23 . 18443 1 1438 . 1 1 116 116 VAL C C 13 178.840 0.007 . 1 . . . A 116 VAL C . 18443 1 1439 . 1 1 116 116 VAL CA C 13 65.442 0.067 . 1 . . . A 116 VAL CA . 18443 1 1440 . 1 1 116 116 VAL CB C 13 31.908 0.020 . 1 . . . A 116 VAL CB . 18443 1 1441 . 1 1 116 116 VAL CG1 C 13 21.965 0.017 . 2 . . . A 116 VAL CG1 . 18443 1 1442 . 1 1 116 116 VAL CG2 C 13 21.197 0.023 . 2 . . . A 116 VAL CG2 . 18443 1 1443 . 1 1 116 116 VAL N N 15 119.053 0.047 . 1 . . . A 116 VAL N . 18443 1 1444 . 1 1 117 117 LYS H H 1 7.915 0.002 . 1 . . . A 117 LYS H . 18443 1 1445 . 1 1 117 117 LYS HA H 1 4.176 0.005 . 1 . . . A 117 LYS HA . 18443 1 1446 . 1 1 117 117 LYS HB2 H 1 1.923 0.010 . 1 . . . A 117 LYS HB2 . 18443 1 1447 . 1 1 117 117 LYS HB3 H 1 1.923 0.010 . 1 . . . A 117 LYS HB3 . 18443 1 1448 . 1 1 117 117 LYS HG2 H 1 1.632 0.004 . 2 . . . A 117 LYS HG2 . 18443 1 1449 . 1 1 117 117 LYS HG3 H 1 1.530 0.009 . 2 . . . A 117 LYS HG3 . 18443 1 1450 . 1 1 117 117 LYS HD2 H 1 1.766 0.007 . 1 . . . A 117 LYS HD2 . 18443 1 1451 . 1 1 117 117 LYS HD3 H 1 1.766 0.007 . 1 . . . A 117 LYS HD3 . 18443 1 1452 . 1 1 117 117 LYS HE2 H 1 3.047 0.008 . 1 . . . A 117 LYS HE2 . 18443 1 1453 . 1 1 117 117 LYS HE3 H 1 3.047 0.008 . 1 . . . A 117 LYS HE3 . 18443 1 1454 . 1 1 117 117 LYS C C 13 178.689 0.018 . 1 . . . A 117 LYS C . 18443 1 1455 . 1 1 117 117 LYS CA C 13 58.555 0.097 . 1 . . . A 117 LYS CA . 18443 1 1456 . 1 1 117 117 LYS CB C 13 32.718 0.028 . 1 . . . A 117 LYS CB . 18443 1 1457 . 1 1 117 117 LYS CG C 13 25.534 0.030 . 1 . . . A 117 LYS CG . 18443 1 1458 . 1 1 117 117 LYS CD C 13 29.225 0.051 . 1 . . . A 117 LYS CD . 18443 1 1459 . 1 1 117 117 LYS CE C 13 42.097 0.021 . 1 . . . A 117 LYS CE . 18443 1 1460 . 1 1 117 117 LYS N N 15 121.003 0.037 . 1 . . . A 117 LYS N . 18443 1 1461 . 1 1 118 118 GLY H H 1 8.472 0.004 . 1 . . . A 118 GLY H . 18443 1 1462 . 1 1 118 118 GLY HA2 H 1 4.084 0.010 . 2 . . . A 118 GLY HA2 . 18443 1 1463 . 1 1 118 118 GLY HA3 H 1 3.962 0.007 . 2 . . . A 118 GLY HA3 . 18443 1 1464 . 1 1 118 118 GLY C C 13 174.909 0.050 . 1 . . . A 118 GLY C . 18443 1 1465 . 1 1 118 118 GLY CA C 13 45.964 0.113 . 1 . . . A 118 GLY CA . 18443 1 1466 . 1 1 118 118 GLY N N 15 106.132 0.041 . 1 . . . A 118 GLY N . 18443 1 1467 . 1 1 119 119 GLY H H 1 7.791 0.006 . 1 . . . A 119 GLY H . 18443 1 1468 . 1 1 119 119 GLY HA2 H 1 3.993 0.003 . 1 . . . A 119 GLY HA2 . 18443 1 1469 . 1 1 119 119 GLY HA3 H 1 3.993 0.003 . 1 . . . A 119 GLY HA3 . 18443 1 1470 . 1 1 119 119 GLY C C 13 174.631 0.030 . 1 . . . A 119 GLY C . 18443 1 1471 . 1 1 119 119 GLY CA C 13 45.966 0.095 . 1 . . . A 119 GLY CA . 18443 1 1472 . 1 1 119 119 GLY N N 15 107.977 0.030 . 1 . . . A 119 GLY N . 18443 1 1473 . 1 1 120 120 ALA H H 1 8.171 0.004 . 1 . . . A 120 ALA H . 18443 1 1474 . 1 1 120 120 ALA HA H 1 4.413 0.002 . 1 . . . A 120 ALA HA . 18443 1 1475 . 1 1 120 120 ALA HB1 H 1 1.424 0.002 . 1 . . . A 120 ALA HB1 . 18443 1 1476 . 1 1 120 120 ALA HB2 H 1 1.424 0.002 . 1 . . . A 120 ALA HB2 . 18443 1 1477 . 1 1 120 120 ALA HB3 H 1 1.424 0.002 . 1 . . . A 120 ALA HB3 . 18443 1 1478 . 1 1 120 120 ALA C C 13 178.143 0.036 . 1 . . . A 120 ALA C . 18443 1 1479 . 1 1 120 120 ALA CA C 13 52.816 0.119 . 1 . . . A 120 ALA CA . 18443 1 1480 . 1 1 120 120 ALA CB C 13 19.102 0.025 . 1 . . . A 120 ALA CB . 18443 1 1481 . 1 1 120 120 ALA N N 15 123.981 0.031 . 1 . . . A 120 ALA N . 18443 1 1482 . 1 1 121 121 CYS H H 1 8.200 0.005 . 1 . . . A 121 CYS H . 18443 1 1483 . 1 1 121 121 CYS HA H 1 4.510 0.004 . 1 . . . A 121 CYS HA . 18443 1 1484 . 1 1 121 121 CYS HB2 H 1 2.953 0.006 . 1 . . . A 121 CYS HB2 . 18443 1 1485 . 1 1 121 121 CYS HB3 H 1 2.953 0.006 . 1 . . . A 121 CYS HB3 . 18443 1 1486 . 1 1 121 121 CYS C C 13 175.318 0.019 . 1 . . . A 121 CYS C . 18443 1 1487 . 1 1 121 121 CYS CA C 13 58.974 0.126 . 1 . . . A 121 CYS CA . 18443 1 1488 . 1 1 121 121 CYS CB C 13 28.109 0.034 . 1 . . . A 121 CYS CB . 18443 1 1489 . 1 1 121 121 CYS N N 15 117.342 0.037 . 1 . . . A 121 CYS N . 18443 1 1490 . 1 1 122 122 GLY H H 1 8.367 0.003 . 1 . . . A 122 GLY H . 18443 1 1491 . 1 1 122 122 GLY HA2 H 1 4.020 0.004 . 1 . . . A 122 GLY HA2 . 18443 1 1492 . 1 1 122 122 GLY HA3 H 1 4.020 0.004 . 1 . . . A 122 GLY HA3 . 18443 1 1493 . 1 1 122 122 GLY C C 13 174.299 0.004 . 1 . . . A 122 GLY C . 18443 1 1494 . 1 1 122 122 GLY CA C 13 45.525 0.087 . 1 . . . A 122 GLY CA . 18443 1 1495 . 1 1 122 122 GLY N N 15 110.351 0.047 . 1 . . . A 122 GLY N . 18443 1 1496 . 1 1 123 123 GLU H H 1 8.280 0.005 . 1 . . . A 123 GLU H . 18443 1 1497 . 1 1 123 123 GLU HA H 1 4.307 0.003 . 1 . . . A 123 GLU HA . 18443 1 1498 . 1 1 123 123 GLU HB2 H 1 2.081 0.005 . 2 . . . A 123 GLU HB2 . 18443 1 1499 . 1 1 123 123 GLU HB3 H 1 1.969 0.005 . 2 . . . A 123 GLU HB3 . 18443 1 1500 . 1 1 123 123 GLU HG2 H 1 2.293 0.002 . 1 . . . A 123 GLU HG2 . 18443 1 1501 . 1 1 123 123 GLU HG3 H 1 2.293 0.002 . 1 . . . A 123 GLU HG3 . 18443 1 1502 . 1 1 123 123 GLU C C 13 177.296 0.007 . 1 . . . A 123 GLU C . 18443 1 1503 . 1 1 123 123 GLU CA C 13 56.830 0.101 . 1 . . . A 123 GLU CA . 18443 1 1504 . 1 1 123 123 GLU CB C 13 30.461 0.027 . 1 . . . A 123 GLU CB . 18443 1 1505 . 1 1 123 123 GLU CG C 13 36.349 0.039 . 1 . . . A 123 GLU CG . 18443 1 1506 . 1 1 123 123 GLU N N 15 120.589 0.052 . 1 . . . A 123 GLU N . 18443 1 1507 . 1 1 124 124 GLY H H 1 8.465 0.004 . 1 . . . A 124 GLY H . 18443 1 1508 . 1 1 124 124 GLY HA2 H 1 3.907 0.005 . 1 . . . A 124 GLY HA2 . 18443 1 1509 . 1 1 124 124 GLY HA3 H 1 3.907 0.005 . 1 . . . A 124 GLY HA3 . 18443 1 1510 . 1 1 124 124 GLY C C 13 174.189 0.003 . 1 . . . A 124 GLY C . 18443 1 1511 . 1 1 124 124 GLY CA C 13 45.540 0.083 . 1 . . . A 124 GLY CA . 18443 1 1512 . 1 1 124 124 GLY N N 15 109.521 0.031 . 1 . . . A 124 GLY N . 18443 1 1513 . 1 1 125 125 HIS H H 1 8.244 0.004 . 1 . . . A 125 HIS H . 18443 1 1514 . 1 1 125 125 HIS CA C 13 55.971 0.050 . 1 . . . A 125 HIS CA . 18443 1 1515 . 1 1 125 125 HIS CB C 13 30.073 0.050 . 1 . . . A 125 HIS CB . 18443 1 1516 . 1 1 125 125 HIS N N 15 118.418 0.025 . 1 . . . A 125 HIS N . 18443 1 stop_ save_