data_18130 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18130 _Entry.Title ; 1H, 13C and 15N chemical shift assignments of thioredoxin 2 from Pseudomonas aeruginosa PAO1 in its reduced form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-12-09 _Entry.Accession_date 2011-12-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'thioredoxin 2 from Pseudomonas aeruginosa PAO1' _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 Edwige Garcin . B. . 18130 2 Corinne Kreuzer . . . 18130 3 Olivier Bornet . . . 18130 4 Francoise Guerlesquin . . . 18130 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18130 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 476 18130 '15N chemical shifts' 106 18130 '1H chemical shifts' 714 18130 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 2 . . 2014-02-26 2011-12-09 update BMRB 'update entry citation' 18130 1 . . 2013-04-15 2011-12-09 original author 'original release' 18130 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LRC 'BMRB Entry Tracking System' 18130 stop_ save_ ############### # Citations # ############### save_citation_reduced_Pstrx2 _Citation.Sf_category citations _Citation.Sf_framecode citation_reduced_Pstrx2 _Citation.Entry_ID 18130 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23771858 _Citation.Full_citation . _Citation.Title '(1)H, (13)C and (15)N backbone and side-chain chemical shift assignments for reduced unusual thioredoxin Patrx2 of Pseudomonas aeruginosa.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _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 2013 _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 Edwige Garcin . B. . 18130 1 2 Olivier Bornet . . . 18130 1 3 Latifa Elantak . . . 18130 1 4 Matthieu Nouailler . . . 18130 1 5 Francoise Guerlesquin . . . 18130 1 6 Corinne Sebban-Kreuzer . . . 18130 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 18130 1 'Pseudomonas aeruginosa' 18130 1 'redox protein' 18130 1 thioredoxin 18130 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18130 _Assembly.ID 1 _Assembly.Name 'monomeric Pstrx2' _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 Pstrx2 1 $Pstrx2 A . yes native no no . . . 18130 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Pstrx2 _Entity.Sf_category entity _Entity.Sf_framecode Pstrx2 _Entity.Entry_ID 18130 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Pstrx2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKTRYSAEAPARDELDRLAG PTLVEFGTDWCGHCQAAQPL LAEVFSDYPEVGHLKVEDGP GRRLGRSFQVKLWPTFVFLR DGREVARVVRPGSASVLEEA FESLVGEGHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes KEGG PA2694 . . . . . . . . . . . . . . . . 18130 1 2 no PDB 2LRC . "Structure Of Thioredoxin 2 From Pseudomonas Aeruginosa Pao1 In Its Reduced Form" . . . . . 100.00 114 100.00 100.00 4.07e-76 . . . . 18130 1 3 no DBJ BAK90565 . "putative thioredoxin [Pseudomonas aeruginosa NCGM2.S1]" . . . . . 94.74 108 98.15 98.15 6.76e-69 . . . . 18130 1 4 no DBJ BAP22888 . "putative thioredoxin [Pseudomonas aeruginosa]" . . . . . 94.74 108 98.15 98.15 6.76e-69 . . . . 18130 1 5 no DBJ BAP50507 . "putative thioredoxin [Pseudomonas aeruginosa]" . . . . . 94.74 108 98.15 98.15 6.76e-69 . . . . 18130 1 6 no DBJ BAQ39453 . "putative thioredoxin [Pseudomonas aeruginosa]" . . . . . 94.74 108 100.00 100.00 6.49e-71 . . . . 18130 1 7 no DBJ BAR67424 . "putative thioredoxin [Pseudomonas aeruginosa]" . . . . . 94.74 108 100.00 100.00 6.49e-71 . . . . 18130 1 8 no EMBL CAW27137 . "probable thioredoxin [Pseudomonas aeruginosa LESB58]" . . . . . 94.74 108 100.00 100.00 6.49e-71 . . . . 18130 1 9 no EMBL CCQ84919 . "probable thioredoxin [Pseudomonas aeruginosa 18A]" . . . . . 94.74 108 99.07 100.00 1.33e-70 . . . . 18130 1 10 no EMBL CDH70702 . "hypothetical protein P38_2433 [Pseudomonas aeruginosa MH38]" . . . . . 94.74 108 100.00 100.00 6.49e-71 . . . . 18130 1 11 no EMBL CDH76831 . "putative thioredoxin [Pseudomonas aeruginosa MH27]" . . . . . 94.74 108 98.15 98.15 6.76e-69 . . . . 18130 1 12 no EMBL CDI91023 . "putative thioredoxin [Pseudomonas aeruginosa PA38182]" . . . . . 94.74 108 100.00 100.00 6.49e-71 . . . . 18130 1 13 no GB AAG06082 . "probable thioredoxin [Pseudomonas aeruginosa PAO1]" . . . . . 94.74 108 100.00 100.00 6.49e-71 . . . . 18130 1 14 no GB AAT49977 . "PA2694, partial [synthetic construct]" . . . . . 94.74 109 100.00 100.00 7.07e-71 . . . . 18130 1 15 no GB ABJ11915 . "putative thioredoxin [Pseudomonas aeruginosa UCBPP-PA14]" . . . . . 94.74 108 99.07 99.07 4.33e-70 . . . . 18130 1 16 no GB AEO74761 . "putative thioredoxin [Pseudomonas aeruginosa M18]" . . . . . 94.74 108 100.00 100.00 6.49e-71 . . . . 18130 1 17 no GB AFM64519 . "putative thioredoxin [Pseudomonas aeruginosa DK2]" . . . . . 94.74 108 100.00 100.00 6.49e-71 . . . . 18130 1 18 no REF NP_251384 . "thioredoxin [Pseudomonas aeruginosa PAO1]" . . . . . 94.74 108 100.00 100.00 6.49e-71 . . . . 18130 1 19 no REF WP_003090556 . "MULTISPECIES: thioredoxin [Pseudomonas]" . . . . . 94.74 108 98.15 98.15 6.76e-69 . . . . 18130 1 20 no REF WP_003101499 . "MULTISPECIES: thioredoxin [Pseudomonas]" . . . . . 94.74 108 100.00 100.00 6.49e-71 . . . . 18130 1 21 no REF WP_003131054 . "MULTISPECIES: thioredoxin [Pseudomonas]" . . . . . 94.74 108 99.07 99.07 4.33e-70 . . . . 18130 1 22 no REF WP_003162117 . "thioredoxin [Pseudomonas aeruginosa]" . . . . . 94.74 108 99.07 100.00 1.33e-70 . . . . 18130 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 . 18130 1 2 . LYS . 18130 1 3 . THR . 18130 1 4 . ARG . 18130 1 5 . TYR . 18130 1 6 . SER . 18130 1 7 . ALA . 18130 1 8 . GLU . 18130 1 9 . ALA . 18130 1 10 . PRO . 18130 1 11 . ALA . 18130 1 12 . ARG . 18130 1 13 . ASP . 18130 1 14 . GLU . 18130 1 15 . LEU . 18130 1 16 . ASP . 18130 1 17 . ARG . 18130 1 18 . LEU . 18130 1 19 . ALA . 18130 1 20 . GLY . 18130 1 21 . PRO . 18130 1 22 . THR . 18130 1 23 . LEU . 18130 1 24 . VAL . 18130 1 25 . GLU . 18130 1 26 . PHE . 18130 1 27 . GLY . 18130 1 28 . THR . 18130 1 29 . ASP . 18130 1 30 . TRP . 18130 1 31 . CYS . 18130 1 32 . GLY . 18130 1 33 . HIS . 18130 1 34 . CYS . 18130 1 35 . GLN . 18130 1 36 . ALA . 18130 1 37 . ALA . 18130 1 38 . GLN . 18130 1 39 . PRO . 18130 1 40 . LEU . 18130 1 41 . LEU . 18130 1 42 . ALA . 18130 1 43 . GLU . 18130 1 44 . VAL . 18130 1 45 . PHE . 18130 1 46 . SER . 18130 1 47 . ASP . 18130 1 48 . TYR . 18130 1 49 . PRO . 18130 1 50 . GLU . 18130 1 51 . VAL . 18130 1 52 . GLY . 18130 1 53 . HIS . 18130 1 54 . LEU . 18130 1 55 . LYS . 18130 1 56 . VAL . 18130 1 57 . GLU . 18130 1 58 . ASP . 18130 1 59 . GLY . 18130 1 60 . PRO . 18130 1 61 . GLY . 18130 1 62 . ARG . 18130 1 63 . ARG . 18130 1 64 . LEU . 18130 1 65 . GLY . 18130 1 66 . ARG . 18130 1 67 . SER . 18130 1 68 . PHE . 18130 1 69 . GLN . 18130 1 70 . VAL . 18130 1 71 . LYS . 18130 1 72 . LEU . 18130 1 73 . TRP . 18130 1 74 . PRO . 18130 1 75 . THR . 18130 1 76 . PHE . 18130 1 77 . VAL . 18130 1 78 . PHE . 18130 1 79 . LEU . 18130 1 80 . ARG . 18130 1 81 . ASP . 18130 1 82 . GLY . 18130 1 83 . ARG . 18130 1 84 . GLU . 18130 1 85 . VAL . 18130 1 86 . ALA . 18130 1 87 . ARG . 18130 1 88 . VAL . 18130 1 89 . VAL . 18130 1 90 . ARG . 18130 1 91 . PRO . 18130 1 92 . GLY . 18130 1 93 . SER . 18130 1 94 . ALA . 18130 1 95 . SER . 18130 1 96 . VAL . 18130 1 97 . LEU . 18130 1 98 . GLU . 18130 1 99 . GLU . 18130 1 100 . ALA . 18130 1 101 . PHE . 18130 1 102 . GLU . 18130 1 103 . SER . 18130 1 104 . LEU . 18130 1 105 . VAL . 18130 1 106 . GLY . 18130 1 107 . GLU . 18130 1 108 . GLY . 18130 1 109 . HIS . 18130 1 110 . HIS . 18130 1 111 . HIS . 18130 1 112 . HIS . 18130 1 113 . HIS . 18130 1 114 . HIS . 18130 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 18130 1 . LYS 2 2 18130 1 . THR 3 3 18130 1 . ARG 4 4 18130 1 . TYR 5 5 18130 1 . SER 6 6 18130 1 . ALA 7 7 18130 1 . GLU 8 8 18130 1 . ALA 9 9 18130 1 . PRO 10 10 18130 1 . ALA 11 11 18130 1 . ARG 12 12 18130 1 . ASP 13 13 18130 1 . GLU 14 14 18130 1 . LEU 15 15 18130 1 . ASP 16 16 18130 1 . ARG 17 17 18130 1 . LEU 18 18 18130 1 . ALA 19 19 18130 1 . GLY 20 20 18130 1 . PRO 21 21 18130 1 . THR 22 22 18130 1 . LEU 23 23 18130 1 . VAL 24 24 18130 1 . GLU 25 25 18130 1 . PHE 26 26 18130 1 . GLY 27 27 18130 1 . THR 28 28 18130 1 . ASP 29 29 18130 1 . TRP 30 30 18130 1 . CYS 31 31 18130 1 . GLY 32 32 18130 1 . HIS 33 33 18130 1 . CYS 34 34 18130 1 . GLN 35 35 18130 1 . ALA 36 36 18130 1 . ALA 37 37 18130 1 . GLN 38 38 18130 1 . PRO 39 39 18130 1 . LEU 40 40 18130 1 . LEU 41 41 18130 1 . ALA 42 42 18130 1 . GLU 43 43 18130 1 . VAL 44 44 18130 1 . PHE 45 45 18130 1 . SER 46 46 18130 1 . ASP 47 47 18130 1 . TYR 48 48 18130 1 . PRO 49 49 18130 1 . GLU 50 50 18130 1 . VAL 51 51 18130 1 . GLY 52 52 18130 1 . HIS 53 53 18130 1 . LEU 54 54 18130 1 . LYS 55 55 18130 1 . VAL 56 56 18130 1 . GLU 57 57 18130 1 . ASP 58 58 18130 1 . GLY 59 59 18130 1 . PRO 60 60 18130 1 . GLY 61 61 18130 1 . ARG 62 62 18130 1 . ARG 63 63 18130 1 . LEU 64 64 18130 1 . GLY 65 65 18130 1 . ARG 66 66 18130 1 . SER 67 67 18130 1 . PHE 68 68 18130 1 . GLN 69 69 18130 1 . VAL 70 70 18130 1 . LYS 71 71 18130 1 . LEU 72 72 18130 1 . TRP 73 73 18130 1 . PRO 74 74 18130 1 . THR 75 75 18130 1 . PHE 76 76 18130 1 . VAL 77 77 18130 1 . PHE 78 78 18130 1 . LEU 79 79 18130 1 . ARG 80 80 18130 1 . ASP 81 81 18130 1 . GLY 82 82 18130 1 . ARG 83 83 18130 1 . GLU 84 84 18130 1 . VAL 85 85 18130 1 . ALA 86 86 18130 1 . ARG 87 87 18130 1 . VAL 88 88 18130 1 . VAL 89 89 18130 1 . ARG 90 90 18130 1 . PRO 91 91 18130 1 . GLY 92 92 18130 1 . SER 93 93 18130 1 . ALA 94 94 18130 1 . SER 95 95 18130 1 . VAL 96 96 18130 1 . LEU 97 97 18130 1 . GLU 98 98 18130 1 . GLU 99 99 18130 1 . ALA 100 100 18130 1 . PHE 101 101 18130 1 . GLU 102 102 18130 1 . SER 103 103 18130 1 . LEU 104 104 18130 1 . VAL 105 105 18130 1 . GLY 106 106 18130 1 . GLU 107 107 18130 1 . GLY 108 108 18130 1 . HIS 109 109 18130 1 . HIS 110 110 18130 1 . HIS 111 111 18130 1 . HIS 112 112 18130 1 . HIS 113 113 18130 1 . HIS 114 114 18130 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 18130 _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 $Pstrx2 . 287 organism . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . Pseudomonas aeruginosa PAO1 . . . . . . . . . . . . . . . 'GENE ID: 882710' . . . . 18130 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 18130 _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 $Pstrx2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli TG1 . . . . . . . . . . . . . . . pJF119EH . . . . . . 18130 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18130 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Pstrx2 '[U-99% 13C; U-99% 15N]' . . 1 $Pstrx2 . . 0.8 . . mM . . . . 18130 1 2 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 18130 1 3 KPO4 'natural abundance' . . . . . . 10 . . mM . . . . 18130 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18130 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 18130 1 pH 7.4 . pH 18130 1 pressure 1 . atm 18130 1 temperature 300 . K 18130 1 stop_ save_ ############################ # Computer software used # ############################ save_cara _Software.Sf_category software _Software.Sf_framecode cara _Software.Entry_ID 18130 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18130 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18130 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18130 _NMR_spectrometer.ID 1 _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 18130 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18130 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 18130 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18130 1 2 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18130 1 3 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18130 1 4 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18130 1 5 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18130 1 6 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18130 1 7 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18130 1 8 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18130 1 9 '2D CBCACO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18130 1 10 '3D HN(CA)CO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18130 1 11 '3D HBHANH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18130 1 12 '2D (HB)CB(CGCD)HD' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18130 1 13 '2D (HB)CB(CGCDCE)HE' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18130 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18130 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $cara _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 18130 _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 na indirect 0.25144953 . . . . . . . . . 18130 1 H 1 DSS 'methyl protons' . . . . ppm 0 na indirect 1 . . . . . . . . . 18130 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.1013291 . . . . . . . . . 18130 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 18130 _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 '2D 1H-15N HSQC' . . . 18130 1 2 '2D 1H-13C HSQC' . . . 18130 1 3 '2D 1H-1H NOESY' . . . 18130 1 4 '3D CBCA(CO)NH' . . . 18130 1 5 '3D HNCO' . . . 18130 1 6 '3D HBHA(CO)NH' . . . 18130 1 7 '3D HNCACB' . . . 18130 1 8 '3D HCCH-TOCSY' . . . 18130 1 9 '2D CBCACO' . . . 18130 1 10 '3D HN(CA)CO' . . . 18130 1 11 '3D HBHANH' . . . 18130 1 12 '2D (HB)CB(CGCD)HD' . . . 18130 1 13 '2D (HB)CB(CGCDCE)HE' . . . 18130 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 3 3 THR HA H 1 4.388 0.020 . 1 . . . . 3 THR HA . 18130 1 2 . 1 1 3 3 THR HB H 1 4.309 0.020 . 1 . . . . 3 THR HB . 18130 1 3 . 1 1 3 3 THR HG21 H 1 1.159 0.020 . 1 . . . . 3 THR HG2 . 18130 1 4 . 1 1 3 3 THR HG22 H 1 1.159 0.020 . 1 . . . . 3 THR HG2 . 18130 1 5 . 1 1 3 3 THR HG23 H 1 1.159 0.020 . 1 . . . . 3 THR HG2 . 18130 1 6 . 1 1 3 3 THR C C 13 173.643 0.3 . 1 . . . . 3 THR C . 18130 1 7 . 1 1 3 3 THR CA C 13 61.213 0.3 . 1 . . . . 3 THR CA . 18130 1 8 . 1 1 3 3 THR CB C 13 69.109 0.3 . 1 . . . . 3 THR CB . 18130 1 9 . 1 1 3 3 THR CG2 C 13 21.158 0.3 . 1 . . . . 3 THR CG2 . 18130 1 10 . 1 1 4 4 ARG H H 1 7.564 0.020 . 1 . . . . 4 ARG H . 18130 1 11 . 1 1 4 4 ARG HA H 1 4.641 0.020 . 1 . . . . 4 ARG HA . 18130 1 12 . 1 1 4 4 ARG HB2 H 1 1.893 0.020 . 2 . . . . 4 ARG HB2 . 18130 1 13 . 1 1 4 4 ARG HB3 H 1 1.680 0.020 . 2 . . . . 4 ARG HB3 . 18130 1 14 . 1 1 4 4 ARG HG2 H 1 1.687 0.020 . 2 . . . . 4 ARG HG2 . 18130 1 15 . 1 1 4 4 ARG HG3 H 1 1.573 0.020 . 2 . . . . 4 ARG HG3 . 18130 1 16 . 1 1 4 4 ARG HD2 H 1 3.212 0.020 . 1 . . . . 4 ARG HD2 . 18130 1 17 . 1 1 4 4 ARG HD3 H 1 3.212 0.020 . 1 . . . . 4 ARG HD3 . 18130 1 18 . 1 1 4 4 ARG HE H 1 7.397 0.020 . 1 . . . . 4 ARG HE . 18130 1 19 . 1 1 4 4 ARG C C 13 174.795 0.3 . 1 . . . . 4 ARG C . 18130 1 20 . 1 1 4 4 ARG CA C 13 53.352 0.3 . 1 . . . . 4 ARG CA . 18130 1 21 . 1 1 4 4 ARG CB C 13 31.665 0.3 . 1 . . . . 4 ARG CB . 18130 1 22 . 1 1 4 4 ARG CG C 13 25.963 0.3 . 1 . . . . 4 ARG CG . 18130 1 23 . 1 1 4 4 ARG CD C 13 42.533 0.3 . 1 . . . . 4 ARG CD . 18130 1 24 . 1 1 4 4 ARG N N 15 121.963 0.3 . 1 . . . . 4 ARG N . 18130 1 25 . 1 1 4 4 ARG NE N 15 83.582 0.3 . 1 . . . . 4 ARG NE . 18130 1 26 . 1 1 5 5 TYR H H 1 9.260 0.020 . 1 . . . . 5 TYR H . 18130 1 27 . 1 1 5 5 TYR HA H 1 3.755 0.020 . 1 . . . . 5 TYR HA . 18130 1 28 . 1 1 5 5 TYR HB2 H 1 2.814 0.020 . 2 . . . . 5 TYR HB2 . 18130 1 29 . 1 1 5 5 TYR HB3 H 1 2.207 0.020 . 2 . . . . 5 TYR HB3 . 18130 1 30 . 1 1 5 5 TYR HD1 H 1 6.822 0.020 . 1 . . . . 5 TYR HD1 . 18130 1 31 . 1 1 5 5 TYR HE1 H 1 6.215 0.020 . 1 . . . . 5 TYR HE1 . 18130 1 32 . 1 1 5 5 TYR C C 13 175.331 0.3 . 1 . . . . 5 TYR C . 18130 1 33 . 1 1 5 5 TYR CA C 13 58.466 0.3 . 1 . . . . 5 TYR CA . 18130 1 34 . 1 1 5 5 TYR CB C 13 37.436 0.3 . 1 . . . . 5 TYR CB . 18130 1 35 . 1 1 5 5 TYR CD1 C 13 131.899 0.3 . 1 . . . . 5 TYR CD1 . 18130 1 36 . 1 1 5 5 TYR CE1 C 13 121.461 0.3 . 1 . . . . 5 TYR CE1 . 18130 1 37 . 1 1 5 5 TYR N N 15 123.507 0.3 . 1 . . . . 5 TYR N . 18130 1 38 . 1 1 6 6 SER H H 1 8.545 0.020 . 1 . . . . 6 SER H . 18130 1 39 . 1 1 6 6 SER HA H 1 4.833 0.020 . 1 . . . . 6 SER HA . 18130 1 40 . 1 1 6 6 SER HB2 H 1 3.942 0.020 . 1 . . . . 6 SER HB2 . 18130 1 41 . 1 1 6 6 SER HB3 H 1 3.942 0.020 . 1 . . . . 6 SER HB3 . 18130 1 42 . 1 1 6 6 SER C C 13 175.105 0.3 . 1 . . . . 6 SER C . 18130 1 43 . 1 1 6 6 SER CA C 13 56.410 0.3 . 1 . . . . 6 SER CA . 18130 1 44 . 1 1 6 6 SER CB C 13 64.237 0.3 . 1 . . . . 6 SER CB . 18130 1 45 . 1 1 6 6 SER N N 15 116.451 0.3 . 1 . . . . 6 SER N . 18130 1 46 . 1 1 7 7 ALA H H 1 9.261 0.020 . 1 . . . . 7 ALA H . 18130 1 47 . 1 1 7 7 ALA HA H 1 4.362 0.020 . 1 . . . . 7 ALA HA . 18130 1 48 . 1 1 7 7 ALA HB1 H 1 1.561 0.020 . 1 . . . . 7 ALA HB . 18130 1 49 . 1 1 7 7 ALA HB2 H 1 1.561 0.020 . 1 . . . . 7 ALA HB . 18130 1 50 . 1 1 7 7 ALA HB3 H 1 1.561 0.020 . 1 . . . . 7 ALA HB . 18130 1 51 . 1 1 7 7 ALA C C 13 177.511 0.3 . 1 . . . . 7 ALA C . 18130 1 52 . 1 1 7 7 ALA CA C 13 53.445 0.3 . 1 . . . . 7 ALA CA . 18130 1 53 . 1 1 7 7 ALA CB C 13 17.830 0.3 . 1 . . . . 7 ALA CB . 18130 1 54 . 1 1 7 7 ALA N N 15 131.612 0.3 . 1 . . . . 7 ALA N . 18130 1 55 . 1 1 8 8 GLU H H 1 8.108 0.020 . 1 . . . . 8 GLU H . 18130 1 56 . 1 1 8 8 GLU HA H 1 4.416 0.020 . 1 . . . . 8 GLU HA . 18130 1 57 . 1 1 8 8 GLU HB2 H 1 1.960 0.020 . 1 . . . . 8 GLU HB2 . 18130 1 58 . 1 1 8 8 GLU HB3 H 1 1.960 0.020 . 1 . . . . 8 GLU HB3 . 18130 1 59 . 1 1 8 8 GLU HG2 H 1 2.312 0.020 . 2 . . . . 8 GLU HG2 . 18130 1 60 . 1 1 8 8 GLU HG3 H 1 2.240 0.020 . 2 . . . . 8 GLU HG3 . 18130 1 61 . 1 1 8 8 GLU C C 13 174.172 0.3 . 1 . . . . 8 GLU C . 18130 1 62 . 1 1 8 8 GLU CA C 13 55.699 0.3 . 1 . . . . 8 GLU CA . 18130 1 63 . 1 1 8 8 GLU CB C 13 28.582 0.3 . 1 . . . . 8 GLU CB . 18130 1 64 . 1 1 8 8 GLU CG C 13 35.472 0.3 . 1 . . . . 8 GLU CG . 18130 1 65 . 1 1 8 8 GLU CD C 13 182.503 0.3 . 1 . . . . 8 GLU CD . 18130 1 66 . 1 1 8 8 GLU N N 15 119.092 0.3 . 1 . . . . 8 GLU N . 18130 1 67 . 1 1 9 9 ALA H H 1 8.263 0.020 . 1 . . . . 9 ALA H . 18130 1 68 . 1 1 9 9 ALA HA H 1 4.736 0.020 . 1 . . . . 9 ALA HA . 18130 1 69 . 1 1 9 9 ALA HB1 H 1 1.403 0.020 . 1 . . . . 9 ALA HB . 18130 1 70 . 1 1 9 9 ALA HB2 H 1 1.403 0.020 . 1 . . . . 9 ALA HB . 18130 1 71 . 1 1 9 9 ALA HB3 H 1 1.403 0.020 . 1 . . . . 9 ALA HB . 18130 1 72 . 1 1 9 9 ALA C C 13 173.718 0.3 . 1 . . . . 9 ALA C . 18130 1 73 . 1 1 9 9 ALA CA C 13 49.054 0.3 . 1 . . . . 9 ALA CA . 18130 1 74 . 1 1 9 9 ALA CB C 13 20.043 0.3 . 1 . . . . 9 ALA CB . 18130 1 75 . 1 1 9 9 ALA N N 15 128.471 0.3 . 1 . . . . 9 ALA N . 18130 1 76 . 1 1 10 10 PRO HA H 1 4.560 0.020 . 1 . . . . 10 PRO HA . 18130 1 77 . 1 1 10 10 PRO HB2 H 1 2.358 0.020 . 2 . . . . 10 PRO HB2 . 18130 1 78 . 1 1 10 10 PRO HB3 H 1 1.835 0.020 . 2 . . . . 10 PRO HB3 . 18130 1 79 . 1 1 10 10 PRO HG2 H 1 1.964 0.020 . 2 . . . . 10 PRO HG2 . 18130 1 80 . 1 1 10 10 PRO HG3 H 1 1.826 0.020 . 2 . . . . 10 PRO HG3 . 18130 1 81 . 1 1 10 10 PRO HD2 H 1 3.759 0.020 . 2 . . . . 10 PRO HD2 . 18130 1 82 . 1 1 10 10 PRO HD3 H 1 3.258 0.020 . 2 . . . . 10 PRO HD3 . 18130 1 83 . 1 1 10 10 PRO C C 13 175.183 0.3 . 1 . . . . 10 PRO C . 18130 1 84 . 1 1 10 10 PRO CA C 13 61.391 0.3 . 1 . . . . 10 PRO CA . 18130 1 85 . 1 1 10 10 PRO CB C 13 31.191 0.3 . 1 . . . . 10 PRO CB . 18130 1 86 . 1 1 10 10 PRO CG C 13 26.620 0.3 . 1 . . . . 10 PRO CG . 18130 1 87 . 1 1 10 10 PRO CD C 13 49.863 0.3 . 1 . . . . 10 PRO CD . 18130 1 88 . 1 1 11 11 ALA H H 1 8.456 0.020 . 1 . . . . 11 ALA H . 18130 1 89 . 1 1 11 11 ALA HA H 1 4.555 0.020 . 1 . . . . 11 ALA HA . 18130 1 90 . 1 1 11 11 ALA HB1 H 1 1.594 0.020 . 1 . . . . 11 ALA HB . 18130 1 91 . 1 1 11 11 ALA HB2 H 1 1.594 0.020 . 1 . . . . 11 ALA HB . 18130 1 92 . 1 1 11 11 ALA HB3 H 1 1.594 0.020 . 1 . . . . 11 ALA HB . 18130 1 93 . 1 1 11 11 ALA C C 13 179.167 0.3 . 1 . . . . 11 ALA C . 18130 1 94 . 1 1 11 11 ALA CA C 13 50.560 0.3 . 1 . . . . 11 ALA CA . 18130 1 95 . 1 1 11 11 ALA CB C 13 19.174 0.3 . 1 . . . . 11 ALA CB . 18130 1 96 . 1 1 11 11 ALA N N 15 121.503 0.3 . 1 . . . . 11 ALA N . 18130 1 97 . 1 1 12 12 ARG H H 1 9.204 0.020 . 1 . . . . 12 ARG H . 18130 1 98 . 1 1 12 12 ARG HA H 1 3.877 0.020 . 1 . . . . 12 ARG HA . 18130 1 99 . 1 1 12 12 ARG HB2 H 1 2.003 0.020 . 2 . . . . 12 ARG HB2 . 18130 1 100 . 1 1 12 12 ARG HB3 H 1 1.948 0.020 . 2 . . . . 12 ARG HB3 . 18130 1 101 . 1 1 12 12 ARG HG2 H 1 2.249 0.020 . 2 . . . . 12 ARG HG2 . 18130 1 102 . 1 1 12 12 ARG HG3 H 1 2.182 0.020 . 2 . . . . 12 ARG HG3 . 18130 1 103 . 1 1 12 12 ARG HD2 H 1 2.382 0.020 . 1 . . . . 12 ARG HD2 . 18130 1 104 . 1 1 12 12 ARG HD3 H 1 2.382 0.020 . 1 . . . . 12 ARG HD3 . 18130 1 105 . 1 1 12 12 ARG C C 13 176.660 0.3 . 1 . . . . 12 ARG C . 18130 1 106 . 1 1 12 12 ARG CA C 13 58.559 0.3 . 1 . . . . 12 ARG CA . 18130 1 107 . 1 1 12 12 ARG CB C 13 28.028 0.3 . 1 . . . . 12 ARG CB . 18130 1 108 . 1 1 12 12 ARG CG C 13 29.185 0.3 . 1 . . . . 12 ARG CG . 18130 1 109 . 1 1 12 12 ARG CD C 13 35.579 0.3 . 1 . . . . 12 ARG CD . 18130 1 110 . 1 1 12 12 ARG N N 15 123.309 0.3 . 1 . . . . 12 ARG N . 18130 1 111 . 1 1 13 13 ASP H H 1 8.534 0.020 . 1 . . . . 13 ASP H . 18130 1 112 . 1 1 13 13 ASP HA H 1 4.373 0.020 . 1 . . . . 13 ASP HA . 18130 1 113 . 1 1 13 13 ASP HB2 H 1 2.655 0.020 . 1 . . . . 13 ASP HB2 . 18130 1 114 . 1 1 13 13 ASP HB3 H 1 2.655 0.020 . 1 . . . . 13 ASP HB3 . 18130 1 115 . 1 1 13 13 ASP C C 13 177.512 0.3 . 1 . . . . 13 ASP C . 18130 1 116 . 1 1 13 13 ASP CA C 13 55.936 0.3 . 1 . . . . 13 ASP CA . 18130 1 117 . 1 1 13 13 ASP CB C 13 39.492 0.3 . 1 . . . . 13 ASP CB . 18130 1 118 . 1 1 13 13 ASP CG C 13 179.465 0.3 . 1 . . . . 13 ASP CG . 18130 1 119 . 1 1 13 13 ASP N N 15 113.393 0.3 . 1 . . . . 13 ASP N . 18130 1 120 . 1 1 14 14 GLU H H 1 7.142 0.020 . 1 . . . . 14 GLU H . 18130 1 121 . 1 1 14 14 GLU HA H 1 4.059 0.020 . 1 . . . . 14 GLU HA . 18130 1 122 . 1 1 14 14 GLU HB2 H 1 2.321 0.020 . 2 . . . . 14 GLU HB2 . 18130 1 123 . 1 1 14 14 GLU HB3 H 1 2.112 0.020 . 2 . . . . 14 GLU HB3 . 18130 1 124 . 1 1 14 14 GLU HG2 H 1 2.266 0.020 . 2 . . . . 14 GLU HG2 . 18130 1 125 . 1 1 14 14 GLU HG3 H 1 2.215 0.020 . 2 . . . . 14 GLU HG3 . 18130 1 126 . 1 1 14 14 GLU C C 13 179.329 0.3 . 1 . . . . 14 GLU C . 18130 1 127 . 1 1 14 14 GLU CA C 13 57.991 0.3 . 1 . . . . 14 GLU CA . 18130 1 128 . 1 1 14 14 GLU CB C 13 29.135 0.3 . 1 . . . . 14 GLU CB . 18130 1 129 . 1 1 14 14 GLU CG C 13 35.331 0.3 . 1 . . . . 14 GLU CG . 18130 1 130 . 1 1 14 14 GLU CD C 13 183.624 0.3 . 1 . . . . 14 GLU CD . 18130 1 131 . 1 1 14 14 GLU N N 15 117.157 0.3 . 1 . . . . 14 GLU N . 18130 1 132 . 1 1 15 15 LEU H H 1 7.838 0.020 . 1 . . . . 15 LEU H . 18130 1 133 . 1 1 15 15 LEU HA H 1 4.076 0.020 . 1 . . . . 15 LEU HA . 18130 1 134 . 1 1 15 15 LEU HB2 H 1 1.879 0.020 . 2 . . . . 15 LEU HB2 . 18130 1 135 . 1 1 15 15 LEU HB3 H 1 1.709 0.020 . 2 . . . . 15 LEU HB3 . 18130 1 136 . 1 1 15 15 LEU HG H 1 1.489 0.020 . 1 . . . . 15 LEU HG . 18130 1 137 . 1 1 15 15 LEU HD11 H 1 0.967 0.020 . 1 . . . . 15 LEU HD1 . 18130 1 138 . 1 1 15 15 LEU HD12 H 1 0.967 0.020 . 1 . . . . 15 LEU HD1 . 18130 1 139 . 1 1 15 15 LEU HD13 H 1 0.967 0.020 . 1 . . . . 15 LEU HD1 . 18130 1 140 . 1 1 15 15 LEU HD21 H 1 0.882 0.020 . 1 . . . . 15 LEU HD2 . 18130 1 141 . 1 1 15 15 LEU HD22 H 1 0.882 0.020 . 1 . . . . 15 LEU HD2 . 18130 1 142 . 1 1 15 15 LEU HD23 H 1 0.882 0.020 . 1 . . . . 15 LEU HD2 . 18130 1 143 . 1 1 15 15 LEU C C 13 177.847 0.3 . 1 . . . . 15 LEU C . 18130 1 144 . 1 1 15 15 LEU CA C 13 57.178 0.3 . 1 . . . . 15 LEU CA . 18130 1 145 . 1 1 15 15 LEU CB C 13 41.231 0.3 . 1 . . . . 15 LEU CB . 18130 1 146 . 1 1 15 15 LEU CG C 13 26.433 0.3 . 1 . . . . 15 LEU CG . 18130 1 147 . 1 1 15 15 LEU CD1 C 13 25.588 0.3 . 1 . . . . 15 LEU CD1 . 18130 1 148 . 1 1 15 15 LEU CD2 C 13 24.140 0.3 . 1 . . . . 15 LEU CD2 . 18130 1 149 . 1 1 15 15 LEU N N 15 121.826 0.3 . 1 . . . . 15 LEU N . 18130 1 150 . 1 1 16 16 ASP H H 1 8.185 0.020 . 1 . . . . 16 ASP H . 18130 1 151 . 1 1 16 16 ASP HA H 1 4.605 0.020 . 1 . . . . 16 ASP HA . 18130 1 152 . 1 1 16 16 ASP HB2 H 1 2.740 0.020 . 1 . . . . 16 ASP HB2 . 18130 1 153 . 1 1 16 16 ASP HB3 H 1 2.740 0.020 . 1 . . . . 16 ASP HB3 . 18130 1 154 . 1 1 16 16 ASP C C 13 176.529 0.3 . 1 . . . . 16 ASP C . 18130 1 155 . 1 1 16 16 ASP CA C 13 55.468 0.3 . 1 . . . . 16 ASP CA . 18130 1 156 . 1 1 16 16 ASP CB C 13 40.124 0.3 . 1 . . . . 16 ASP CB . 18130 1 157 . 1 1 16 16 ASP CG C 13 178.404 0.3 . 1 . . . . 16 ASP CG . 18130 1 158 . 1 1 16 16 ASP N N 15 115.960 0.3 . 1 . . . . 16 ASP N . 18130 1 159 . 1 1 17 17 ARG H H 1 7.094 0.020 . 1 . . . . 17 ARG H . 18130 1 160 . 1 1 17 17 ARG HA H 1 4.507 0.020 . 1 . . . . 17 ARG HA . 18130 1 161 . 1 1 17 17 ARG HB2 H 1 2.024 0.020 . 2 . . . . 17 ARG HB2 . 18130 1 162 . 1 1 17 17 ARG HB3 H 1 1.796 0.020 . 2 . . . . 17 ARG HB3 . 18130 1 163 . 1 1 17 17 ARG HG2 H 1 1.694 0.020 . 2 . . . . 17 ARG HG2 . 18130 1 164 . 1 1 17 17 ARG HG3 H 1 1.649 0.020 . 2 . . . . 17 ARG HG3 . 18130 1 165 . 1 1 17 17 ARG HD2 H 1 3.237 0.020 . 1 . . . . 17 ARG HD2 . 18130 1 166 . 1 1 17 17 ARG HD3 H 1 3.237 0.020 . 1 . . . . 17 ARG HD3 . 18130 1 167 . 1 1 17 17 ARG C C 13 175.554 0.3 . 1 . . . . 17 ARG C . 18130 1 168 . 1 1 17 17 ARG CA C 13 54.197 0.3 . 1 . . . . 17 ARG CA . 18130 1 169 . 1 1 17 17 ARG CB C 13 30.400 0.3 . 1 . . . . 17 ARG CB . 18130 1 170 . 1 1 17 17 ARG CG C 13 26.718 0.3 . 1 . . . . 17 ARG CG . 18130 1 171 . 1 1 17 17 ARG CD C 13 43.018 0.3 . 1 . . . . 17 ARG CD . 18130 1 172 . 1 1 17 17 ARG N N 15 114.563 0.3 . 1 . . . . 17 ARG N . 18130 1 173 . 1 1 18 18 LEU H H 1 7.387 0.020 . 1 . . . . 18 LEU H . 18130 1 174 . 1 1 18 18 LEU HA H 1 4.267 0.020 . 1 . . . . 18 LEU HA . 18130 1 175 . 1 1 18 18 LEU HB2 H 1 1.662 0.020 . 1 . . . . 18 LEU HB2 . 18130 1 176 . 1 1 18 18 LEU HB3 H 1 1.662 0.020 . 1 . . . . 18 LEU HB3 . 18130 1 177 . 1 1 18 18 LEU HG H 1 1.738 0.020 . 1 . . . . 18 LEU HG . 18130 1 178 . 1 1 18 18 LEU HD11 H 1 0.962 0.020 . 1 . . . . 18 LEU HD1 . 18130 1 179 . 1 1 18 18 LEU HD12 H 1 0.962 0.020 . 1 . . . . 18 LEU HD1 . 18130 1 180 . 1 1 18 18 LEU HD13 H 1 0.962 0.020 . 1 . . . . 18 LEU HD1 . 18130 1 181 . 1 1 18 18 LEU HD21 H 1 0.883 0.020 . 1 . . . . 18 LEU HD2 . 18130 1 182 . 1 1 18 18 LEU HD22 H 1 0.883 0.020 . 1 . . . . 18 LEU HD2 . 18130 1 183 . 1 1 18 18 LEU HD23 H 1 0.883 0.020 . 1 . . . . 18 LEU HD2 . 18130 1 184 . 1 1 18 18 LEU C C 13 175.666 0.3 . 1 . . . . 18 LEU C . 18130 1 185 . 1 1 18 18 LEU CA C 13 54.845 0.3 . 1 . . . . 18 LEU CA . 18130 1 186 . 1 1 18 18 LEU CB C 13 41.784 0.3 . 1 . . . . 18 LEU CB . 18130 1 187 . 1 1 18 18 LEU CG C 13 26.185 0.3 . 1 . . . . 18 LEU CG . 18130 1 188 . 1 1 18 18 LEU CD1 C 13 24.158 0.3 . 1 . . . . 18 LEU CD1 . 18130 1 189 . 1 1 18 18 LEU CD2 C 13 22.999 0.3 . 1 . . . . 18 LEU CD2 . 18130 1 190 . 1 1 18 18 LEU N N 15 124.481 0.3 . 1 . . . . 18 LEU N . 18130 1 191 . 1 1 19 19 ALA H H 1 8.509 0.020 . 1 . . . . 19 ALA H . 18130 1 192 . 1 1 19 19 ALA HA H 1 4.500 0.020 . 1 . . . . 19 ALA HA . 18130 1 193 . 1 1 19 19 ALA HB1 H 1 1.491 0.020 . 1 . . . . 19 ALA HB . 18130 1 194 . 1 1 19 19 ALA HB2 H 1 1.491 0.020 . 1 . . . . 19 ALA HB . 18130 1 195 . 1 1 19 19 ALA HB3 H 1 1.491 0.020 . 1 . . . . 19 ALA HB . 18130 1 196 . 1 1 19 19 ALA C C 13 178.225 0.3 . 1 . . . . 19 ALA C . 18130 1 197 . 1 1 19 19 ALA CA C 13 51.975 0.3 . 1 . . . . 19 ALA CA . 18130 1 198 . 1 1 19 19 ALA CB C 13 19.501 0.3 . 1 . . . . 19 ALA CB . 18130 1 199 . 1 1 19 19 ALA N N 15 129.665 0.3 . 1 . . . . 19 ALA N . 18130 1 200 . 1 1 20 20 GLY H H 1 9.191 0.020 . 1 . . . . 20 GLY H . 18130 1 201 . 1 1 20 20 GLY HA2 H 1 4.466 0.020 . 2 . . . . 20 GLY HA2 . 18130 1 202 . 1 1 20 20 GLY HA3 H 1 4.051 0.020 . 2 . . . . 20 GLY HA3 . 18130 1 203 . 1 1 20 20 GLY C C 13 172.857 0.3 . 1 . . . . 20 GLY C . 18130 1 204 . 1 1 20 20 GLY CA C 13 44.300 0.3 . 1 . . . . 20 GLY CA . 18130 1 205 . 1 1 20 20 GLY N N 15 107.929 0.3 . 1 . . . . 20 GLY N . 18130 1 206 . 1 1 21 21 PRO HA H 1 5.563 0.020 . 1 . . . . 21 PRO HA . 18130 1 207 . 1 1 21 21 PRO HB2 H 1 2.089 0.020 . 1 . . . . 21 PRO HB2 . 18130 1 208 . 1 1 21 21 PRO HB3 H 1 2.089 0.020 . 1 . . . . 21 PRO HB3 . 18130 1 209 . 1 1 21 21 PRO HG2 H 1 2.031 0.020 . 1 . . . . 21 PRO HG2 . 18130 1 210 . 1 1 21 21 PRO HG3 H 1 2.031 0.020 . 1 . . . . 21 PRO HG3 . 18130 1 211 . 1 1 21 21 PRO HD2 H 1 3.453 0.020 . 2 . . . . 21 PRO HD2 . 18130 1 212 . 1 1 21 21 PRO HD3 H 1 3.371 0.020 . 2 . . . . 21 PRO HD3 . 18130 1 213 . 1 1 21 21 PRO C C 13 176.158 0.3 . 1 . . . . 21 PRO C . 18130 1 214 . 1 1 21 21 PRO CA C 13 61.628 0.3 . 1 . . . . 21 PRO CA . 18130 1 215 . 1 1 21 21 PRO CB C 13 31.665 0.3 . 1 . . . . 21 PRO CB . 18130 1 216 . 1 1 21 21 PRO CG C 13 26.067 0.3 . 1 . . . . 21 PRO CG . 18130 1 217 . 1 1 21 21 PRO CD C 13 48.530 0.3 . 1 . . . . 21 PRO CD . 18130 1 218 . 1 1 22 22 THR H H 1 9.581 0.020 . 1 . . . . 22 THR H . 18130 1 219 . 1 1 22 22 THR HA H 1 4.520 0.020 . 1 . . . . 22 THR HA . 18130 1 220 . 1 1 22 22 THR HB H 1 3.765 0.020 . 1 . . . . 22 THR HB . 18130 1 221 . 1 1 22 22 THR HG21 H 1 0.912 0.020 . 1 . . . . 22 THR HG2 . 18130 1 222 . 1 1 22 22 THR HG22 H 1 0.912 0.020 . 1 . . . . 22 THR HG2 . 18130 1 223 . 1 1 22 22 THR HG23 H 1 0.912 0.020 . 1 . . . . 22 THR HG2 . 18130 1 224 . 1 1 22 22 THR C C 13 170.198 0.3 . 1 . . . . 22 THR C . 18130 1 225 . 1 1 22 22 THR CA C 13 62.261 0.3 . 1 . . . . 22 THR CA . 18130 1 226 . 1 1 22 22 THR CB C 13 71.669 0.3 . 1 . . . . 22 THR CB . 18130 1 227 . 1 1 22 22 THR CG2 C 13 21.115 0.3 . 1 . . . . 22 THR CG2 . 18130 1 228 . 1 1 22 22 THR N N 15 122.841 0.3 . 1 . . . . 22 THR N . 18130 1 229 . 1 1 23 23 LEU H H 1 9.114 0.020 . 1 . . . . 23 LEU H . 18130 1 230 . 1 1 23 23 LEU HA H 1 4.561 0.020 . 1 . . . . 23 LEU HA . 18130 1 231 . 1 1 23 23 LEU HB2 H 1 1.985 0.020 . 2 . . . . 23 LEU HB2 . 18130 1 232 . 1 1 23 23 LEU HB3 H 1 0.529 0.020 . 2 . . . . 23 LEU HB3 . 18130 1 233 . 1 1 23 23 LEU HG H 1 1.083 0.020 . 1 . . . . 23 LEU HG . 18130 1 234 . 1 1 23 23 LEU HD11 H 1 0.449 0.020 . 1 . . . . 23 LEU HD1 . 18130 1 235 . 1 1 23 23 LEU HD12 H 1 0.449 0.020 . 1 . . . . 23 LEU HD1 . 18130 1 236 . 1 1 23 23 LEU HD13 H 1 0.449 0.020 . 1 . . . . 23 LEU HD1 . 18130 1 237 . 1 1 23 23 LEU HD21 H 1 -0.301 0.020 . 1 . . . . 23 LEU HD2 . 18130 1 238 . 1 1 23 23 LEU HD22 H 1 -0.301 0.020 . 1 . . . . 23 LEU HD2 . 18130 1 239 . 1 1 23 23 LEU HD23 H 1 -0.301 0.020 . 1 . . . . 23 LEU HD2 . 18130 1 240 . 1 1 23 23 LEU C C 13 173.396 0.3 . 1 . . . . 23 LEU C . 18130 1 241 . 1 1 23 23 LEU CA C 13 52.615 0.3 . 1 . . . . 23 LEU CA . 18130 1 242 . 1 1 23 23 LEU CB C 13 42.733 0.3 . 1 . . . . 23 LEU CB . 18130 1 243 . 1 1 23 23 LEU CG C 13 26.151 0.3 . 1 . . . . 23 LEU CG . 18130 1 244 . 1 1 23 23 LEU CD1 C 13 25.766 0.3 . 1 . . . . 23 LEU CD1 . 18130 1 245 . 1 1 23 23 LEU CD2 C 13 21.921 0.3 . 1 . . . . 23 LEU CD2 . 18130 1 246 . 1 1 23 23 LEU N N 15 128.440 0.3 . 1 . . . . 23 LEU N . 18130 1 247 . 1 1 24 24 VAL H H 1 9.274 0.020 . 1 . . . . 24 VAL H . 18130 1 248 . 1 1 24 24 VAL HA H 1 4.513 0.020 . 1 . . . . 24 VAL HA . 18130 1 249 . 1 1 24 24 VAL HB H 1 1.664 0.020 . 1 . . . . 24 VAL HB . 18130 1 250 . 1 1 24 24 VAL HG11 H 1 0.975 0.020 . 1 . . . . 24 VAL HG1 . 18130 1 251 . 1 1 24 24 VAL HG12 H 1 0.975 0.020 . 1 . . . . 24 VAL HG1 . 18130 1 252 . 1 1 24 24 VAL HG13 H 1 0.975 0.020 . 1 . . . . 24 VAL HG1 . 18130 1 253 . 1 1 24 24 VAL HG21 H 1 0.676 0.020 . 1 . . . . 24 VAL HG2 . 18130 1 254 . 1 1 24 24 VAL HG22 H 1 0.676 0.020 . 1 . . . . 24 VAL HG2 . 18130 1 255 . 1 1 24 24 VAL HG23 H 1 0.676 0.020 . 1 . . . . 24 VAL HG2 . 18130 1 256 . 1 1 24 24 VAL C C 13 172.302 0.3 . 1 . . . . 24 VAL C . 18130 1 257 . 1 1 24 24 VAL CA C 13 60.679 0.3 . 1 . . . . 24 VAL CA . 18130 1 258 . 1 1 24 24 VAL CB C 13 31.112 0.3 . 1 . . . . 24 VAL CB . 18130 1 259 . 1 1 24 24 VAL CG1 C 13 20.979 0.3 . 1 . . . . 24 VAL CG1 . 18130 1 260 . 1 1 24 24 VAL CG2 C 13 19.315 0.3 . 1 . . . . 24 VAL CG2 . 18130 1 261 . 1 1 24 24 VAL N N 15 128.715 0.3 . 1 . . . . 24 VAL N . 18130 1 262 . 1 1 25 25 GLU H H 1 8.947 0.020 . 1 . . . . 25 GLU H . 18130 1 263 . 1 1 25 25 GLU HA H 1 4.818 0.020 . 1 . . . . 25 GLU HA . 18130 1 264 . 1 1 25 25 GLU HB2 H 1 2.007 0.020 . 2 . . . . 25 GLU HB2 . 18130 1 265 . 1 1 25 25 GLU HB3 H 1 1.601 0.020 . 2 . . . . 25 GLU HB3 . 18130 1 266 . 1 1 25 25 GLU HG2 H 1 1.788 0.020 . 2 . . . . 25 GLU HG2 . 18130 1 267 . 1 1 25 25 GLU HG3 H 1 1.389 0.020 . 2 . . . . 25 GLU HG3 . 18130 1 268 . 1 1 25 25 GLU C C 13 172.956 0.3 . 1 . . . . 25 GLU C . 18130 1 269 . 1 1 25 25 GLU CA C 13 52.395 0.3 . 1 . . . . 25 GLU CA . 18130 1 270 . 1 1 25 25 GLU CB C 13 32.350 0.3 . 1 . . . . 25 GLU CB . 18130 1 271 . 1 1 25 25 GLU CG C 13 34.521 0.3 . 1 . . . . 25 GLU CG . 18130 1 272 . 1 1 25 25 GLU CD C 13 181.328 0.3 . 1 . . . . 25 GLU CD . 18130 1 273 . 1 1 25 25 GLU N N 15 130.280 0.3 . 1 . . . . 25 GLU N . 18130 1 274 . 1 1 26 26 PHE H H 1 9.041 0.020 . 1 . . . . 26 PHE H . 18130 1 275 . 1 1 26 26 PHE HA H 1 5.328 0.020 . 1 . . . . 26 PHE HA . 18130 1 276 . 1 1 26 26 PHE HB2 H 1 2.771 0.020 . 1 . . . . 26 PHE HB2 . 18130 1 277 . 1 1 26 26 PHE HB3 H 1 2.771 0.020 . 1 . . . . 26 PHE HB3 . 18130 1 278 . 1 1 26 26 PHE HD1 H 1 6.955 0.020 . 1 . . . . 26 PHE HD1 . 18130 1 279 . 1 1 26 26 PHE HD2 H 1 6.955 0.020 . 1 . . . . 26 PHE HD2 . 18130 1 280 . 1 1 26 26 PHE HE1 H 1 6.735 0.020 . 1 . . . . 26 PHE HE1 . 18130 1 281 . 1 1 26 26 PHE HE2 H 1 6.735 0.020 . 1 . . . . 26 PHE HE2 . 18130 1 282 . 1 1 26 26 PHE HZ H 1 6.214 0.020 . 1 . . . . 26 PHE HZ . 18130 1 283 . 1 1 26 26 PHE C C 13 175.129 0.3 . 1 . . . . 26 PHE C . 18130 1 284 . 1 1 26 26 PHE CA C 13 55.936 0.3 . 1 . . . . 26 PHE CA . 18130 1 285 . 1 1 26 26 PHE CB C 13 42.338 0.3 . 1 . . . . 26 PHE CB . 18130 1 286 . 1 1 26 26 PHE CD1 C 13 131.826 0.3 . 1 . . . . 26 PHE CD1 . 18130 1 287 . 1 1 26 26 PHE CE1 C 13 130.768 0.3 . 1 . . . . 26 PHE CE1 . 18130 1 288 . 1 1 26 26 PHE N N 15 123.866 0.3 . 1 . . . . 26 PHE N . 18130 1 289 . 1 1 27 27 GLY H H 1 7.584 0.020 . 1 . . . . 27 GLY H . 18130 1 290 . 1 1 27 27 GLY HA2 H 1 3.896 0.020 . 2 . . . . 27 GLY HA2 . 18130 1 291 . 1 1 27 27 GLY HA3 H 1 2.506 0.020 . 2 . . . . 27 GLY HA3 . 18130 1 292 . 1 1 27 27 GLY C C 13 169.218 0.3 . 1 . . . . 27 GLY C . 18130 1 293 . 1 1 27 27 GLY CA C 13 44.631 0.3 . 1 . . . . 27 GLY CA . 18130 1 294 . 1 1 27 27 GLY N N 15 108.388 0.3 . 1 . . . . 27 GLY N . 18130 1 295 . 1 1 28 28 THR H H 1 6.835 0.020 . 1 . . . . 28 THR H . 18130 1 296 . 1 1 28 28 THR HA H 1 3.370 0.020 . 1 . . . . 28 THR HA . 18130 1 297 . 1 1 28 28 THR HB H 1 3.172 0.020 . 1 . . . . 28 THR HB . 18130 1 298 . 1 1 28 28 THR HG21 H 1 0.056 0.020 . 1 . . . . 28 THR HG2 . 18130 1 299 . 1 1 28 28 THR HG22 H 1 0.056 0.020 . 1 . . . . 28 THR HG2 . 18130 1 300 . 1 1 28 28 THR HG23 H 1 0.056 0.020 . 1 . . . . 28 THR HG2 . 18130 1 301 . 1 1 28 28 THR C C 13 172.390 0.3 . 1 . . . . 28 THR C . 18130 1 302 . 1 1 28 28 THR CA C 13 58.545 0.3 . 1 . . . . 28 THR CA . 18130 1 303 . 1 1 28 28 THR CB C 13 72.222 0.3 . 1 . . . . 28 THR CB . 18130 1 304 . 1 1 28 28 THR CG2 C 13 21.772 0.3 . 1 . . . . 28 THR CG2 . 18130 1 305 . 1 1 28 28 THR N N 15 108.869 0.3 . 1 . . . . 28 THR N . 18130 1 306 . 1 1 29 29 ASP H H 1 8.723 0.020 . 1 . . . . 29 ASP H . 18130 1 307 . 1 1 29 29 ASP HA H 1 4.340 0.020 . 1 . . . . 29 ASP HA . 18130 1 308 . 1 1 29 29 ASP HB2 H 1 2.745 0.020 . 2 . . . . 29 ASP HB2 . 18130 1 309 . 1 1 29 29 ASP HB3 H 1 2.599 0.020 . 2 . . . . 29 ASP HB3 . 18130 1 310 . 1 1 29 29 ASP C C 13 176.592 0.3 . 1 . . . . 29 ASP C . 18130 1 311 . 1 1 29 29 ASP CA C 13 56.081 0.3 . 1 . . . . 29 ASP CA . 18130 1 312 . 1 1 29 29 ASP CB C 13 41.152 0.3 . 1 . . . . 29 ASP CB . 18130 1 313 . 1 1 29 29 ASP CG C 13 178.997 0.3 . 1 . . . . 29 ASP CG . 18130 1 314 . 1 1 29 29 ASP N N 15 116.440 0.3 . 1 . . . . 29 ASP N . 18130 1 315 . 1 1 30 30 TRP H H 1 6.943 0.020 . 1 . . . . 30 TRP H . 18130 1 316 . 1 1 30 30 TRP HA H 1 4.590 0.020 . 1 . . . . 30 TRP HA . 18130 1 317 . 1 1 30 30 TRP HB2 H 1 3.551 0.020 . 2 . . . . 30 TRP HB2 . 18130 1 318 . 1 1 30 30 TRP HB3 H 1 3.246 0.020 . 2 . . . . 30 TRP HB3 . 18130 1 319 . 1 1 30 30 TRP HD1 H 1 7.437 0.020 . 1 . . . . 30 TRP HD1 . 18130 1 320 . 1 1 30 30 TRP HE1 H 1 10.747 0.020 . 1 . . . . 30 TRP HE1 . 18130 1 321 . 1 1 30 30 TRP HE3 H 1 7.122 0.020 . 1 . . . . 30 TRP HE3 . 18130 1 322 . 1 1 30 30 TRP HZ2 H 1 7.796 0.020 . 1 . . . . 30 TRP HZ2 . 18130 1 323 . 1 1 30 30 TRP HZ3 H 1 7.385 0.020 . 1 . . . . 30 TRP HZ3 . 18130 1 324 . 1 1 30 30 TRP HH2 H 1 7.546 0.020 . 1 . . . . 30 TRP HH2 . 18130 1 325 . 1 1 30 30 TRP C C 13 175.191 0.3 . 1 . . . . 30 TRP C . 18130 1 326 . 1 1 30 30 TRP CA C 13 54.355 0.3 . 1 . . . . 30 TRP CA . 18130 1 327 . 1 1 30 30 TRP CB C 13 28.661 0.3 . 1 . . . . 30 TRP CB . 18130 1 328 . 1 1 30 30 TRP CD1 C 13 127.867 0.3 . 1 . . . . 30 TRP CD1 . 18130 1 329 . 1 1 30 30 TRP CE3 C 13 124.395 0.3 . 1 . . . . 30 TRP CE3 . 18130 1 330 . 1 1 30 30 TRP CZ2 C 13 114.709 0.3 . 1 . . . . 30 TRP CZ2 . 18130 1 331 . 1 1 30 30 TRP CZ3 C 13 120.748 0.3 . 1 . . . . 30 TRP CZ3 . 18130 1 332 . 1 1 30 30 TRP CH2 C 13 125.147 0.3 . 1 . . . . 30 TRP CH2 . 18130 1 333 . 1 1 30 30 TRP N N 15 112.035 0.3 . 1 . . . . 30 TRP N . 18130 1 334 . 1 1 30 30 TRP NE1 N 15 131.020 0.3 . 1 . . . . 30 TRP NE1 . 18130 1 335 . 1 1 31 31 CYS H H 1 6.545 0.020 . 1 . . . . 31 CYS H . 18130 1 336 . 1 1 31 31 CYS HA H 1 4.348 0.020 . 1 . . . . 31 CYS HA . 18130 1 337 . 1 1 31 31 CYS HB2 H 1 2.634 0.020 . 2 . . . . 31 CYS HB2 . 18130 1 338 . 1 1 31 31 CYS HB3 H 1 2.545 0.020 . 2 . . . . 31 CYS HB3 . 18130 1 339 . 1 1 31 31 CYS C C 13 177.747 0.3 . 1 . . . . 31 CYS C . 18130 1 340 . 1 1 31 31 CYS CA C 13 59.731 0.3 . 1 . . . . 31 CYS CA . 18130 1 341 . 1 1 31 31 CYS CB C 13 29.451 0.3 . 1 . . . . 31 CYS CB . 18130 1 342 . 1 1 31 31 CYS N N 15 127.937 0.3 . 1 . . . . 31 CYS N . 18130 1 343 . 1 1 32 32 GLY H H 1 8.925 0.020 . 1 . . . . 32 GLY H . 18130 1 344 . 1 1 32 32 GLY HA2 H 1 4.012 0.020 . 2 . . . . 32 GLY HA2 . 18130 1 345 . 1 1 32 32 GLY HA3 H 1 3.895 0.020 . 2 . . . . 32 GLY HA3 . 18130 1 346 . 1 1 32 32 GLY C C 13 177.309 0.3 . 1 . . . . 32 GLY C . 18130 1 347 . 1 1 32 32 GLY CA C 13 46.606 0.3 . 1 . . . . 32 GLY CA . 18130 1 348 . 1 1 32 32 GLY N N 15 118.451 0.3 . 1 . . . . 32 GLY N . 18130 1 349 . 1 1 33 33 HIS H H 1 9.676 0.020 . 1 . . . . 33 HIS H . 18130 1 350 . 1 1 33 33 HIS HA H 1 4.524 0.020 . 1 . . . . 33 HIS HA . 18130 1 351 . 1 1 33 33 HIS HB2 H 1 3.654 0.020 . 2 . . . . 33 HIS HB2 . 18130 1 352 . 1 1 33 33 HIS HB3 H 1 3.204 0.020 . 2 . . . . 33 HIS HB3 . 18130 1 353 . 1 1 33 33 HIS HD2 H 1 7.258 0.020 . 1 . . . . 33 HIS HD2 . 18130 1 354 . 1 1 33 33 HIS HE1 H 1 7.744 0.020 . 1 . . . . 33 HIS HE1 . 18130 1 355 . 1 1 33 33 HIS C C 13 179.876 0.3 . 1 . . . . 33 HIS C . 18130 1 356 . 1 1 33 33 HIS CA C 13 59.573 0.3 . 1 . . . . 33 HIS CA . 18130 1 357 . 1 1 33 33 HIS CB C 13 30.321 0.3 . 1 . . . . 33 HIS CB . 18130 1 358 . 1 1 33 33 HIS CD2 C 13 129.089 0.3 . 1 . . . . 33 HIS CD2 . 18130 1 359 . 1 1 33 33 HIS CE1 C 13 138.082 0.3 . 1 . . . . 33 HIS CE1 . 18130 1 360 . 1 1 33 33 HIS N N 15 127.533 0.3 . 1 . . . . 33 HIS N . 18130 1 361 . 1 1 34 34 CYS H H 1 9.405 0.020 . 1 . . . . 34 CYS H . 18130 1 362 . 1 1 34 34 CYS HA H 1 4.027 0.020 . 1 . . . . 34 CYS HA . 18130 1 363 . 1 1 34 34 CYS HB2 H 1 3.583 0.020 . 2 . . . . 34 CYS HB2 . 18130 1 364 . 1 1 34 34 CYS HB3 H 1 3.304 0.020 . 2 . . . . 34 CYS HB3 . 18130 1 365 . 1 1 34 34 CYS C C 13 178.258 0.3 . 1 . . . . 34 CYS C . 18130 1 366 . 1 1 34 34 CYS CA C 13 64.438 0.3 . 1 . . . . 34 CYS CA . 18130 1 367 . 1 1 34 34 CYS CB C 13 27.996 0.3 . 1 . . . . 34 CYS CB . 18130 1 368 . 1 1 34 34 CYS N N 15 128.990 0.3 . 1 . . . . 34 CYS N . 18130 1 369 . 1 1 35 35 GLN H H 1 8.602 0.020 . 1 . . . . 35 GLN H . 18130 1 370 . 1 1 35 35 GLN HA H 1 4.166 0.020 . 1 . . . . 35 GLN HA . 18130 1 371 . 1 1 35 35 GLN HB2 H 1 2.176 0.020 . 1 . . . . 35 GLN HB2 . 18130 1 372 . 1 1 35 35 GLN HB3 H 1 2.176 0.020 . 1 . . . . 35 GLN HB3 . 18130 1 373 . 1 1 35 35 GLN HG2 H 1 2.708 0.020 . 2 . . . . 35 GLN HG2 . 18130 1 374 . 1 1 35 35 GLN HG3 H 1 2.583 0.020 . 2 . . . . 35 GLN HG3 . 18130 1 375 . 1 1 35 35 GLN HE21 H 1 7.552 0.020 . 1 . . . . 35 GLN HE21 . 18130 1 376 . 1 1 35 35 GLN HE22 H 1 6.959 0.020 . 1 . . . . 35 GLN HE22 . 18130 1 377 . 1 1 35 35 GLN C C 13 179.702 0.3 . 1 . . . . 35 GLN C . 18130 1 378 . 1 1 35 35 GLN CA C 13 58.703 0.3 . 1 . . . . 35 GLN CA . 18130 1 379 . 1 1 35 35 GLN CB C 13 27.317 0.3 . 1 . . . . 35 GLN CB . 18130 1 380 . 1 1 35 35 GLN CG C 13 32.841 0.3 . 1 . . . . 35 GLN CG . 18130 1 381 . 1 1 35 35 GLN CD C 13 179.566 0.3 . 1 . . . . 35 GLN CD . 18130 1 382 . 1 1 35 35 GLN N N 15 119.557 0.3 . 1 . . . . 35 GLN N . 18130 1 383 . 1 1 35 35 GLN NE2 N 15 110.484 0.3 . 1 . . . . 35 GLN NE2 . 18130 1 384 . 1 1 36 36 ALA H H 1 8.012 0.020 . 1 . . . . 36 ALA H . 18130 1 385 . 1 1 36 36 ALA HA H 1 4.244 0.020 . 1 . . . . 36 ALA HA . 18130 1 386 . 1 1 36 36 ALA HB1 H 1 1.663 0.020 . 1 . . . . 36 ALA HB . 18130 1 387 . 1 1 36 36 ALA HB2 H 1 1.663 0.020 . 1 . . . . 36 ALA HB . 18130 1 388 . 1 1 36 36 ALA HB3 H 1 1.663 0.020 . 1 . . . . 36 ALA HB . 18130 1 389 . 1 1 36 36 ALA C C 13 178.396 0.3 . 1 . . . . 36 ALA C . 18130 1 390 . 1 1 36 36 ALA CA C 13 54.039 0.3 . 1 . . . . 36 ALA CA . 18130 1 391 . 1 1 36 36 ALA CB C 13 17.593 0.3 . 1 . . . . 36 ALA CB . 18130 1 392 . 1 1 36 36 ALA N N 15 121.735 0.3 . 1 . . . . 36 ALA N . 18130 1 393 . 1 1 37 37 ALA H H 1 7.404 0.020 . 1 . . . . 37 ALA H . 18130 1 394 . 1 1 37 37 ALA HA H 1 4.498 0.020 . 1 . . . . 37 ALA HA . 18130 1 395 . 1 1 37 37 ALA HB1 H 1 1.853 0.020 . 1 . . . . 37 ALA HB . 18130 1 396 . 1 1 37 37 ALA HB2 H 1 1.853 0.020 . 1 . . . . 37 ALA HB . 18130 1 397 . 1 1 37 37 ALA HB3 H 1 1.853 0.020 . 1 . . . . 37 ALA HB . 18130 1 398 . 1 1 37 37 ALA C C 13 178.442 0.3 . 1 . . . . 37 ALA C . 18130 1 399 . 1 1 37 37 ALA CA C 13 52.615 0.3 . 1 . . . . 37 ALA CA . 18130 1 400 . 1 1 37 37 ALA CB C 13 18.984 0.3 . 1 . . . . 37 ALA CB . 18130 1 401 . 1 1 37 37 ALA N N 15 114.858 0.3 . 1 . . . . 37 ALA N . 18130 1 402 . 1 1 38 38 GLN H H 1 7.715 0.020 . 1 . . . . 38 GLN H . 18130 1 403 . 1 1 38 38 GLN HA H 1 4.150 0.020 . 1 . . . . 38 GLN HA . 18130 1 404 . 1 1 38 38 GLN HB2 H 1 2.406 0.020 . 2 . . . . 38 GLN HB2 . 18130 1 405 . 1 1 38 38 GLN HB3 H 1 2.304 0.020 . 2 . . . . 38 GLN HB3 . 18130 1 406 . 1 1 38 38 GLN HG2 H 1 3.284 0.020 . 2 . . . . 38 GLN HG2 . 18130 1 407 . 1 1 38 38 GLN HG3 H 1 2.639 0.020 . 2 . . . . 38 GLN HG3 . 18130 1 408 . 1 1 38 38 GLN C C 13 174.853 0.3 . 1 . . . . 38 GLN C . 18130 1 409 . 1 1 38 38 GLN CA C 13 59.494 0.3 . 1 . . . . 38 GLN CA . 18130 1 410 . 1 1 38 38 GLN CB C 13 24.787 0.3 . 1 . . . . 38 GLN CB . 18130 1 411 . 1 1 38 38 GLN CG C 13 32.351 0.3 . 1 . . . . 38 GLN CG . 18130 1 412 . 1 1 38 38 GLN CD C 13 180.737 0.3 . 1 . . . . 38 GLN CD . 18130 1 413 . 1 1 38 38 GLN N N 15 115.571 0.3 . 1 . . . . 38 GLN N . 18130 1 414 . 1 1 39 39 PRO HA H 1 4.442 0.020 . 1 . . . . 39 PRO HA . 18130 1 415 . 1 1 39 39 PRO HB2 H 1 2.426 0.020 . 2 . . . . 39 PRO HB2 . 18130 1 416 . 1 1 39 39 PRO HB3 H 1 1.907 0.020 . 2 . . . . 39 PRO HB3 . 18130 1 417 . 1 1 39 39 PRO HG2 H 1 2.109 0.020 . 1 . . . . 39 PRO HG2 . 18130 1 418 . 1 1 39 39 PRO HG3 H 1 2.109 0.020 . 1 . . . . 39 PRO HG3 . 18130 1 419 . 1 1 39 39 PRO HD2 H 1 4.069 0.020 . 1 . . . . 39 PRO HD2 . 18130 1 420 . 1 1 39 39 PRO HD3 H 1 4.069 0.020 . 1 . . . . 39 PRO HD3 . 18130 1 421 . 1 1 39 39 PRO C C 13 179.281 0.3 . 1 . . . . 39 PRO C . 18130 1 422 . 1 1 39 39 PRO CA C 13 65.018 0.3 . 1 . . . . 39 PRO CA . 18130 1 423 . 1 1 39 39 PRO CB C 13 30.400 0.3 . 1 . . . . 39 PRO CB . 18130 1 424 . 1 1 39 39 PRO CG C 13 27.763 0.3 . 1 . . . . 39 PRO CG . 18130 1 425 . 1 1 39 39 PRO CD C 13 49.720 0.3 . 1 . . . . 39 PRO CD . 18130 1 426 . 1 1 40 40 LEU H H 1 6.634 0.020 . 1 . . . . 40 LEU H . 18130 1 427 . 1 1 40 40 LEU HA H 1 4.202 0.020 . 1 . . . . 40 LEU HA . 18130 1 428 . 1 1 40 40 LEU HB2 H 1 1.964 0.020 . 2 . . . . 40 LEU HB2 . 18130 1 429 . 1 1 40 40 LEU HB3 H 1 1.180 0.020 . 2 . . . . 40 LEU HB3 . 18130 1 430 . 1 1 40 40 LEU HG H 1 1.475 0.020 . 1 . . . . 40 LEU HG . 18130 1 431 . 1 1 40 40 LEU HD11 H 1 0.795 0.020 . 1 . . . . 40 LEU HD1 . 18130 1 432 . 1 1 40 40 LEU HD12 H 1 0.795 0.020 . 1 . . . . 40 LEU HD1 . 18130 1 433 . 1 1 40 40 LEU HD13 H 1 0.795 0.020 . 1 . . . . 40 LEU HD1 . 18130 1 434 . 1 1 40 40 LEU HD21 H 1 0.839 0.020 . 1 . . . . 40 LEU HD2 . 18130 1 435 . 1 1 40 40 LEU HD22 H 1 0.839 0.020 . 1 . . . . 40 LEU HD2 . 18130 1 436 . 1 1 40 40 LEU HD23 H 1 0.839 0.020 . 1 . . . . 40 LEU HD2 . 18130 1 437 . 1 1 40 40 LEU C C 13 177.220 0.3 . 1 . . . . 40 LEU C . 18130 1 438 . 1 1 40 40 LEU CA C 13 56.647 0.3 . 1 . . . . 40 LEU CA . 18130 1 439 . 1 1 40 40 LEU CB C 13 41.389 0.3 . 1 . . . . 40 LEU CB . 18130 1 440 . 1 1 40 40 LEU CG C 13 26.407 0.3 . 1 . . . . 40 LEU CG . 18130 1 441 . 1 1 40 40 LEU CD1 C 13 24.461 0.3 . 1 . . . . 40 LEU CD1 . 18130 1 442 . 1 1 40 40 LEU CD2 C 13 22.355 0.3 . 1 . . . . 40 LEU CD2 . 18130 1 443 . 1 1 40 40 LEU N N 15 116.491 0.3 . 1 . . . . 40 LEU N . 18130 1 444 . 1 1 41 41 LEU H H 1 8.024 0.020 . 1 . . . . 41 LEU H . 18130 1 445 . 1 1 41 41 LEU HA H 1 3.907 0.020 . 1 . . . . 41 LEU HA . 18130 1 446 . 1 1 41 41 LEU HB2 H 1 2.122 0.020 . 2 . . . . 41 LEU HB2 . 18130 1 447 . 1 1 41 41 LEU HB3 H 1 1.241 0.020 . 2 . . . . 41 LEU HB3 . 18130 1 448 . 1 1 41 41 LEU HG H 1 1.125 0.020 . 1 . . . . 41 LEU HG . 18130 1 449 . 1 1 41 41 LEU HD11 H 1 0.797 0.020 . 1 . . . . 41 LEU HD1 . 18130 1 450 . 1 1 41 41 LEU HD12 H 1 0.797 0.020 . 1 . . . . 41 LEU HD1 . 18130 1 451 . 1 1 41 41 LEU HD13 H 1 0.797 0.020 . 1 . . . . 41 LEU HD1 . 18130 1 452 . 1 1 41 41 LEU HD21 H 1 0.758 0.020 . 1 . . . . 41 LEU HD2 . 18130 1 453 . 1 1 41 41 LEU HD22 H 1 0.758 0.020 . 1 . . . . 41 LEU HD2 . 18130 1 454 . 1 1 41 41 LEU HD23 H 1 0.758 0.020 . 1 . . . . 41 LEU HD2 . 18130 1 455 . 1 1 41 41 LEU C C 13 178.019 0.3 . 1 . . . . 41 LEU C . 18130 1 456 . 1 1 41 41 LEU CA C 13 57.043 0.3 . 1 . . . . 41 LEU CA . 18130 1 457 . 1 1 41 41 LEU CB C 13 41.468 0.3 . 1 . . . . 41 LEU CB . 18130 1 458 . 1 1 41 41 LEU CG C 13 26.491 0.3 . 1 . . . . 41 LEU CG . 18130 1 459 . 1 1 41 41 LEU CD1 C 13 25.718 0.3 . 1 . . . . 41 LEU CD1 . 18130 1 460 . 1 1 41 41 LEU CD2 C 13 22.385 0.3 . 1 . . . . 41 LEU CD2 . 18130 1 461 . 1 1 41 41 LEU N N 15 117.992 0.3 . 1 . . . . 41 LEU N . 18130 1 462 . 1 1 42 42 ALA H H 1 8.657 0.020 . 1 . . . . 42 ALA H . 18130 1 463 . 1 1 42 42 ALA HA H 1 4.189 0.020 . 1 . . . . 42 ALA HA . 18130 1 464 . 1 1 42 42 ALA HB1 H 1 1.464 0.020 . 1 . . . . 42 ALA HB . 18130 1 465 . 1 1 42 42 ALA HB2 H 1 1.464 0.020 . 1 . . . . 42 ALA HB . 18130 1 466 . 1 1 42 42 ALA HB3 H 1 1.464 0.020 . 1 . . . . 42 ALA HB . 18130 1 467 . 1 1 42 42 ALA C C 13 179.897 0.3 . 1 . . . . 42 ALA C . 18130 1 468 . 1 1 42 42 ALA CA C 13 54.671 0.3 . 1 . . . . 42 ALA CA . 18130 1 469 . 1 1 42 42 ALA CB C 13 17.672 0.3 . 1 . . . . 42 ALA CB . 18130 1 470 . 1 1 42 42 ALA N N 15 119.460 0.3 . 1 . . . . 42 ALA N . 18130 1 471 . 1 1 43 43 GLU H H 1 7.434 0.020 . 1 . . . . 43 GLU H . 18130 1 472 . 1 1 43 43 GLU HA H 1 4.057 0.020 . 1 . . . . 43 GLU HA . 18130 1 473 . 1 1 43 43 GLU HB2 H 1 2.253 0.020 . 2 . . . . 43 GLU HB2 . 18130 1 474 . 1 1 43 43 GLU HB3 H 1 2.186 0.020 . 2 . . . . 43 GLU HB3 . 18130 1 475 . 1 1 43 43 GLU HG2 H 1 2.357 0.020 . 2 . . . . 43 GLU HG2 . 18130 1 476 . 1 1 43 43 GLU HG3 H 1 2.205 0.020 . 2 . . . . 43 GLU HG3 . 18130 1 477 . 1 1 43 43 GLU C C 13 177.939 0.3 . 1 . . . . 43 GLU C . 18130 1 478 . 1 1 43 43 GLU CA C 13 58.484 0.3 . 1 . . . . 43 GLU CA . 18130 1 479 . 1 1 43 43 GLU CB C 13 28.898 0.3 . 1 . . . . 43 GLU CB . 18130 1 480 . 1 1 43 43 GLU CG C 13 35.319 0.3 . 1 . . . . 43 GLU CG . 18130 1 481 . 1 1 43 43 GLU CD C 13 183.321 0.3 . 1 . . . . 43 GLU CD . 18130 1 482 . 1 1 43 43 GLU N N 15 116.597 0.3 . 1 . . . . 43 GLU N . 18130 1 483 . 1 1 44 44 VAL H H 1 7.489 0.020 . 1 . . . . 44 VAL H . 18130 1 484 . 1 1 44 44 VAL HA H 1 3.974 0.020 . 1 . . . . 44 VAL HA . 18130 1 485 . 1 1 44 44 VAL HB H 1 1.804 0.020 . 1 . . . . 44 VAL HB . 18130 1 486 . 1 1 44 44 VAL HG11 H 1 1.158 0.020 . 1 . . . . 44 VAL HG1 . 18130 1 487 . 1 1 44 44 VAL HG12 H 1 1.158 0.020 . 1 . . . . 44 VAL HG1 . 18130 1 488 . 1 1 44 44 VAL HG13 H 1 1.158 0.020 . 1 . . . . 44 VAL HG1 . 18130 1 489 . 1 1 44 44 VAL HG21 H 1 0.628 0.020 . 1 . . . . 44 VAL HG2 . 18130 1 490 . 1 1 44 44 VAL HG22 H 1 0.628 0.020 . 1 . . . . 44 VAL HG2 . 18130 1 491 . 1 1 44 44 VAL HG23 H 1 0.628 0.020 . 1 . . . . 44 VAL HG2 . 18130 1 492 . 1 1 44 44 VAL C C 13 177.731 0.3 . 1 . . . . 44 VAL C . 18130 1 493 . 1 1 44 44 VAL CA C 13 64.237 0.3 . 1 . . . . 44 VAL CA . 18130 1 494 . 1 1 44 44 VAL CB C 13 32.060 0.3 . 1 . . . . 44 VAL CB . 18130 1 495 . 1 1 44 44 VAL CG1 C 13 22.630 0.3 . 1 . . . . 44 VAL CG1 . 18130 1 496 . 1 1 44 44 VAL CG2 C 13 22.015 0.3 . 1 . . . . 44 VAL CG2 . 18130 1 497 . 1 1 44 44 VAL N N 15 117.601 0.3 . 1 . . . . 44 VAL N . 18130 1 498 . 1 1 45 45 PHE H H 1 9.044 0.020 . 1 . . . . 45 PHE H . 18130 1 499 . 1 1 45 45 PHE HA H 1 3.917 0.020 . 1 . . . . 45 PHE HA . 18130 1 500 . 1 1 45 45 PHE HB2 H 1 3.166 0.020 . 1 . . . . 45 PHE HB2 . 18130 1 501 . 1 1 45 45 PHE HB3 H 1 3.166 0.020 . 1 . . . . 45 PHE HB3 . 18130 1 502 . 1 1 45 45 PHE HD1 H 1 7.348 0.020 . 1 . . . . 45 PHE HD1 . 18130 1 503 . 1 1 45 45 PHE HD2 H 1 7.348 0.020 . 1 . . . . 45 PHE HD2 . 18130 1 504 . 1 1 45 45 PHE HE1 H 1 7.084 0.020 . 1 . . . . 45 PHE HE1 . 18130 1 505 . 1 1 45 45 PHE HE2 H 1 7.084 0.020 . 1 . . . . 45 PHE HE2 . 18130 1 506 . 1 1 45 45 PHE C C 13 179.215 0.3 . 1 . . . . 45 PHE C . 18130 1 507 . 1 1 45 45 PHE CA C 13 58.767 0.3 . 1 . . . . 45 PHE CA . 18130 1 508 . 1 1 45 45 PHE CB C 13 37.199 0.3 . 1 . . . . 45 PHE CB . 18130 1 509 . 1 1 45 45 PHE CD1 C 13 131.242 0.3 . 1 . . . . 45 PHE CD1 . 18130 1 510 . 1 1 45 45 PHE CE1 C 13 131.132 0.3 . 1 . . . . 45 PHE CE1 . 18130 1 511 . 1 1 45 45 PHE N N 15 119.124 0.3 . 1 . . . . 45 PHE N . 18130 1 512 . 1 1 46 46 SER H H 1 7.381 0.020 . 1 . . . . 46 SER H . 18130 1 513 . 1 1 46 46 SER HA H 1 4.083 0.020 . 1 . . . . 46 SER HA . 18130 1 514 . 1 1 46 46 SER HB2 H 1 3.936 0.020 . 1 . . . . 46 SER HB2 . 18130 1 515 . 1 1 46 46 SER HB3 H 1 3.936 0.020 . 1 . . . . 46 SER HB3 . 18130 1 516 . 1 1 46 46 SER C C 13 174.408 0.3 . 1 . . . . 46 SER C . 18130 1 517 . 1 1 46 46 SER CA C 13 60.800 0.3 . 1 . . . . 46 SER CA . 18130 1 518 . 1 1 46 46 SER CB C 13 62.498 0.3 . 1 . . . . 46 SER CB . 18130 1 519 . 1 1 46 46 SER N N 15 112.345 0.3 . 1 . . . . 46 SER N . 18130 1 520 . 1 1 47 47 ASP H H 1 7.334 0.020 . 1 . . . . 47 ASP H . 18130 1 521 . 1 1 47 47 ASP HA H 1 4.681 0.020 . 1 . . . . 47 ASP HA . 18130 1 522 . 1 1 47 47 ASP HB2 H 1 2.406 0.020 . 2 . . . . 47 ASP HB2 . 18130 1 523 . 1 1 47 47 ASP HB3 H 1 2.255 0.020 . 2 . . . . 47 ASP HB3 . 18130 1 524 . 1 1 47 47 ASP C C 13 174.390 0.3 . 1 . . . . 47 ASP C . 18130 1 525 . 1 1 47 47 ASP CA C 13 53.999 0.3 . 1 . . . . 47 ASP CA . 18130 1 526 . 1 1 47 47 ASP CB C 13 41.105 0.3 . 1 . . . . 47 ASP CB . 18130 1 527 . 1 1 47 47 ASP CG C 13 180.015 0.3 . 1 . . . . 47 ASP CG . 18130 1 528 . 1 1 47 47 ASP N N 15 117.876 0.3 . 1 . . . . 47 ASP N . 18130 1 529 . 1 1 48 48 TYR H H 1 7.618 0.020 . 1 . . . . 48 TYR H . 18130 1 530 . 1 1 48 48 TYR HA H 1 5.106 0.020 . 1 . . . . 48 TYR HA . 18130 1 531 . 1 1 48 48 TYR HB2 H 1 3.186 0.020 . 2 . . . . 48 TYR HB2 . 18130 1 532 . 1 1 48 48 TYR HB3 H 1 2.343 0.020 . 2 . . . . 48 TYR HB3 . 18130 1 533 . 1 1 48 48 TYR HD1 H 1 6.753 0.020 . 1 . . . . 48 TYR HD1 . 18130 1 534 . 1 1 48 48 TYR HE1 H 1 6.562 0.020 . 1 . . . . 48 TYR HE1 . 18130 1 535 . 1 1 48 48 TYR C C 13 172.781 0.3 . 1 . . . . 48 TYR C . 18130 1 536 . 1 1 48 48 TYR CA C 13 55.857 0.3 . 1 . . . . 48 TYR CA . 18130 1 537 . 1 1 48 48 TYR CB C 13 39.413 0.3 . 1 . . . . 48 TYR CB . 18130 1 538 . 1 1 48 48 TYR CD1 C 13 133.651 0.3 . 1 . . . . 48 TYR CD1 . 18130 1 539 . 1 1 48 48 TYR CE1 C 13 122.300 0.3 . 1 . . . . 48 TYR CE1 . 18130 1 540 . 1 1 48 48 TYR N N 15 117.823 0.3 . 1 . . . . 48 TYR N . 18130 1 541 . 1 1 49 49 PRO HA H 1 4.499 0.020 . 1 . . . . 49 PRO HA . 18130 1 542 . 1 1 49 49 PRO HB2 H 1 2.264 0.020 . 2 . . . . 49 PRO HB2 . 18130 1 543 . 1 1 49 49 PRO HB3 H 1 2.058 0.020 . 2 . . . . 49 PRO HB3 . 18130 1 544 . 1 1 49 49 PRO HG2 H 1 2.025 0.020 . 1 . . . . 49 PRO HG2 . 18130 1 545 . 1 1 49 49 PRO HG3 H 1 2.025 0.020 . 1 . . . . 49 PRO HG3 . 18130 1 546 . 1 1 49 49 PRO HD2 H 1 3.650 0.020 . 2 . . . . 49 PRO HD2 . 18130 1 547 . 1 1 49 49 PRO HD3 H 1 3.315 0.020 . 2 . . . . 49 PRO HD3 . 18130 1 548 . 1 1 49 49 PRO C C 13 177.440 0.3 . 1 . . . . 49 PRO C . 18130 1 549 . 1 1 49 49 PRO CA C 13 64.066 0.3 . 1 . . . . 49 PRO CA . 18130 1 550 . 1 1 49 49 PRO CB C 13 31.033 0.3 . 1 . . . . 49 PRO CB . 18130 1 551 . 1 1 49 49 PRO CG C 13 26.696 0.3 . 1 . . . . 49 PRO CG . 18130 1 552 . 1 1 49 49 PRO CD C 13 49.914 0.3 . 1 . . . . 49 PRO CD . 18130 1 553 . 1 1 50 50 GLU H H 1 10.011 0.020 . 1 . . . . 50 GLU H . 18130 1 554 . 1 1 50 50 GLU HA H 1 4.412 0.020 . 1 . . . . 50 GLU HA . 18130 1 555 . 1 1 50 50 GLU HB2 H 1 2.193 0.020 . 1 . . . . 50 GLU HB2 . 18130 1 556 . 1 1 50 50 GLU HB3 H 1 2.193 0.020 . 1 . . . . 50 GLU HB3 . 18130 1 557 . 1 1 50 50 GLU HG2 H 1 2.431 0.020 . 2 . . . . 50 GLU HG2 . 18130 1 558 . 1 1 50 50 GLU HG3 H 1 2.321 0.020 . 2 . . . . 50 GLU HG3 . 18130 1 559 . 1 1 50 50 GLU C C 13 175.841 0.3 . 1 . . . . 50 GLU C . 18130 1 560 . 1 1 50 50 GLU CA C 13 56.885 0.3 . 1 . . . . 50 GLU CA . 18130 1 561 . 1 1 50 50 GLU CB C 13 28.073 0.3 . 1 . . . . 50 GLU CB . 18130 1 562 . 1 1 50 50 GLU CG C 13 35.263 0.3 . 1 . . . . 50 GLU CG . 18130 1 563 . 1 1 50 50 GLU CD C 13 183.948 0.3 . 1 . . . . 50 GLU CD . 18130 1 564 . 1 1 50 50 GLU N N 15 119.895 0.3 . 1 . . . . 50 GLU N . 18130 1 565 . 1 1 51 51 VAL H H 1 7.795 0.020 . 1 . . . . 51 VAL H . 18130 1 566 . 1 1 51 51 VAL HA H 1 4.051 0.020 . 1 . . . . 51 VAL HA . 18130 1 567 . 1 1 51 51 VAL HB H 1 2.731 0.020 . 1 . . . . 51 VAL HB . 18130 1 568 . 1 1 51 51 VAL HG11 H 1 1.177 0.020 . 1 . . . . 51 VAL HG1 . 18130 1 569 . 1 1 51 51 VAL HG12 H 1 1.177 0.020 . 1 . . . . 51 VAL HG1 . 18130 1 570 . 1 1 51 51 VAL HG13 H 1 1.177 0.020 . 1 . . . . 51 VAL HG1 . 18130 1 571 . 1 1 51 51 VAL HG21 H 1 1.090 0.020 . 1 . . . . 51 VAL HG2 . 18130 1 572 . 1 1 51 51 VAL HG22 H 1 1.090 0.020 . 1 . . . . 51 VAL HG2 . 18130 1 573 . 1 1 51 51 VAL HG23 H 1 1.090 0.020 . 1 . . . . 51 VAL HG2 . 18130 1 574 . 1 1 51 51 VAL C C 13 175.278 0.3 . 1 . . . . 51 VAL C . 18130 1 575 . 1 1 51 51 VAL CA C 13 62.972 0.3 . 1 . . . . 51 VAL CA . 18130 1 576 . 1 1 51 51 VAL CB C 13 31.665 0.3 . 1 . . . . 51 VAL CB . 18130 1 577 . 1 1 51 51 VAL CG1 C 13 23.143 0.3 . 1 . . . . 51 VAL CG1 . 18130 1 578 . 1 1 51 51 VAL CG2 C 13 21.004 0.3 . 1 . . . . 51 VAL CG2 . 18130 1 579 . 1 1 51 51 VAL N N 15 122.936 0.3 . 1 . . . . 51 VAL N . 18130 1 580 . 1 1 52 52 GLY H H 1 8.502 0.020 . 1 . . . . 52 GLY H . 18130 1 581 . 1 1 52 52 GLY HA2 H 1 4.259 0.020 . 2 . . . . 52 GLY HA2 . 18130 1 582 . 1 1 52 52 GLY HA3 H 1 3.977 0.020 . 2 . . . . 52 GLY HA3 . 18130 1 583 . 1 1 52 52 GLY C C 13 171.959 0.3 . 1 . . . . 52 GLY C . 18130 1 584 . 1 1 52 52 GLY CA C 13 44.868 0.3 . 1 . . . . 52 GLY CA . 18130 1 585 . 1 1 52 52 GLY N N 15 114.377 0.3 . 1 . . . . 52 GLY N . 18130 1 586 . 1 1 53 53 HIS H H 1 8.810 0.020 . 1 . . . . 53 HIS H . 18130 1 587 . 1 1 53 53 HIS HA H 1 6.076 0.020 . 1 . . . . 53 HIS HA . 18130 1 588 . 1 1 53 53 HIS HB2 H 1 3.287 0.020 . 2 . . . . 53 HIS HB2 . 18130 1 589 . 1 1 53 53 HIS HB3 H 1 3.127 0.020 . 2 . . . . 53 HIS HB3 . 18130 1 590 . 1 1 53 53 HIS HD2 H 1 7.000 0.020 . 1 . . . . 53 HIS HD2 . 18130 1 591 . 1 1 53 53 HIS HE1 H 1 7.715 0.020 . 1 . . . . 53 HIS HE1 . 18130 1 592 . 1 1 53 53 HIS C C 13 173.544 0.3 . 1 . . . . 53 HIS C . 18130 1 593 . 1 1 53 53 HIS CA C 13 52.358 0.3 . 1 . . . . 53 HIS CA . 18130 1 594 . 1 1 53 53 HIS CB C 13 36.231 0.3 . 1 . . . . 53 HIS CB . 18130 1 595 . 1 1 53 53 HIS CD2 C 13 119.198 0.3 . 1 . . . . 53 HIS CD2 . 18130 1 596 . 1 1 53 53 HIS CE1 C 13 137.880 0.3 . 1 . . . . 53 HIS CE1 . 18130 1 597 . 1 1 53 53 HIS N N 15 121.370 0.3 . 1 . . . . 53 HIS N . 18130 1 598 . 1 1 54 54 LEU H H 1 8.812 0.020 . 1 . . . . 54 LEU H . 18130 1 599 . 1 1 54 54 LEU HA H 1 4.395 0.020 . 1 . . . . 54 LEU HA . 18130 1 600 . 1 1 54 54 LEU HB2 H 1 1.461 0.020 . 2 . . . . 54 LEU HB2 . 18130 1 601 . 1 1 54 54 LEU HB3 H 1 1.192 0.020 . 2 . . . . 54 LEU HB3 . 18130 1 602 . 1 1 54 54 LEU HG H 1 1.545 0.020 . 1 . . . . 54 LEU HG . 18130 1 603 . 1 1 54 54 LEU HD11 H 1 0.747 0.020 . 1 . . . . 54 LEU HD1 . 18130 1 604 . 1 1 54 54 LEU HD12 H 1 0.747 0.020 . 1 . . . . 54 LEU HD1 . 18130 1 605 . 1 1 54 54 LEU HD13 H 1 0.747 0.020 . 1 . . . . 54 LEU HD1 . 18130 1 606 . 1 1 54 54 LEU HD21 H 1 0.807 0.020 . 1 . . . . 54 LEU HD2 . 18130 1 607 . 1 1 54 54 LEU HD22 H 1 0.807 0.020 . 1 . . . . 54 LEU HD2 . 18130 1 608 . 1 1 54 54 LEU HD23 H 1 0.807 0.020 . 1 . . . . 54 LEU HD2 . 18130 1 609 . 1 1 54 54 LEU C C 13 172.427 0.3 . 1 . . . . 54 LEU C . 18130 1 610 . 1 1 54 54 LEU CA C 13 53.361 0.3 . 1 . . . . 54 LEU CA . 18130 1 611 . 1 1 54 54 LEU CB C 13 43.840 0.3 . 1 . . . . 54 LEU CB . 18130 1 612 . 1 1 54 54 LEU CG C 13 26.417 0.3 . 1 . . . . 54 LEU CG . 18130 1 613 . 1 1 54 54 LEU CD1 C 13 24.466 0.3 . 1 . . . . 54 LEU CD1 . 18130 1 614 . 1 1 54 54 LEU CD2 C 13 23.601 0.3 . 1 . . . . 54 LEU CD2 . 18130 1 615 . 1 1 54 54 LEU N N 15 123.030 0.3 . 1 . . . . 54 LEU N . 18130 1 616 . 1 1 55 55 LYS H H 1 8.461 0.020 . 1 . . . . 55 LYS H . 18130 1 617 . 1 1 55 55 LYS HA H 1 4.404 0.020 . 1 . . . . 55 LYS HA . 18130 1 618 . 1 1 55 55 LYS HB2 H 1 1.512 0.020 . 2 . . . . 55 LYS HB2 . 18130 1 619 . 1 1 55 55 LYS HB3 H 1 0.306 0.020 . 2 . . . . 55 LYS HB3 . 18130 1 620 . 1 1 55 55 LYS HG2 H 1 0.669 0.020 . 2 . . . . 55 LYS HG2 . 18130 1 621 . 1 1 55 55 LYS HG3 H 1 0.057 0.020 . 2 . . . . 55 LYS HG3 . 18130 1 622 . 1 1 55 55 LYS HD2 H 1 0.259 0.020 . 2 . . . . 55 LYS HD2 . 18130 1 623 . 1 1 55 55 LYS HD3 H 1 0.011 0.020 . 2 . . . . 55 LYS HD3 . 18130 1 624 . 1 1 55 55 LYS HE2 H 1 1.962 0.020 . 2 . . . . 55 LYS HE2 . 18130 1 625 . 1 1 55 55 LYS HE3 H 1 1.670 0.020 . 2 . . . . 55 LYS HE3 . 18130 1 626 . 1 1 55 55 LYS C C 13 174.154 0.3 . 1 . . . . 55 LYS C . 18130 1 627 . 1 1 55 55 LYS CA C 13 54.363 0.3 . 1 . . . . 55 LYS CA . 18130 1 628 . 1 1 55 55 LYS CB C 13 34.353 0.3 . 1 . . . . 55 LYS CB . 18130 1 629 . 1 1 55 55 LYS CG C 13 25.621 0.3 . 1 . . . . 55 LYS CG . 18130 1 630 . 1 1 55 55 LYS CD C 13 28.461 0.3 . 1 . . . . 55 LYS CD . 18130 1 631 . 1 1 55 55 LYS CE C 13 40.472 0.3 . 1 . . . . 55 LYS CE . 18130 1 632 . 1 1 55 55 LYS N N 15 129.201 0.3 . 1 . . . . 55 LYS N . 18130 1 633 . 1 1 56 56 VAL H H 1 9.188 0.020 . 1 . . . . 56 VAL H . 18130 1 634 . 1 1 56 56 VAL HA H 1 4.063 0.020 . 1 . . . . 56 VAL HA . 18130 1 635 . 1 1 56 56 VAL HB H 1 1.477 0.020 . 1 . . . . 56 VAL HB . 18130 1 636 . 1 1 56 56 VAL HG11 H 1 0.865 0.020 . 1 . . . . 56 VAL HG1 . 18130 1 637 . 1 1 56 56 VAL HG12 H 1 0.865 0.020 . 1 . . . . 56 VAL HG1 . 18130 1 638 . 1 1 56 56 VAL HG13 H 1 0.865 0.020 . 1 . . . . 56 VAL HG1 . 18130 1 639 . 1 1 56 56 VAL HG21 H 1 0.399 0.020 . 1 . . . . 56 VAL HG2 . 18130 1 640 . 1 1 56 56 VAL HG22 H 1 0.399 0.020 . 1 . . . . 56 VAL HG2 . 18130 1 641 . 1 1 56 56 VAL HG23 H 1 0.399 0.020 . 1 . . . . 56 VAL HG2 . 18130 1 642 . 1 1 56 56 VAL C C 13 173.743 0.3 . 1 . . . . 56 VAL C . 18130 1 643 . 1 1 56 56 VAL CA C 13 61.525 0.3 . 1 . . . . 56 VAL CA . 18130 1 644 . 1 1 56 56 VAL CB C 13 33.039 0.3 . 1 . . . . 56 VAL CB . 18130 1 645 . 1 1 56 56 VAL CG1 C 13 21.191 0.3 . 1 . . . . 56 VAL CG1 . 18130 1 646 . 1 1 56 56 VAL CG2 C 13 19.768 0.3 . 1 . . . . 56 VAL CG2 . 18130 1 647 . 1 1 56 56 VAL N N 15 128.387 0.3 . 1 . . . . 56 VAL N . 18130 1 648 . 1 1 57 57 GLU H H 1 8.160 0.020 . 1 . . . . 57 GLU H . 18130 1 649 . 1 1 57 57 GLU HA H 1 4.504 0.020 . 1 . . . . 57 GLU HA . 18130 1 650 . 1 1 57 57 GLU HB2 H 1 1.773 0.020 . 2 . . . . 57 GLU HB2 . 18130 1 651 . 1 1 57 57 GLU HB3 H 1 1.417 0.020 . 2 . . . . 57 GLU HB3 . 18130 1 652 . 1 1 57 57 GLU HG2 H 1 2.094 0.020 . 2 . . . . 57 GLU HG2 . 18130 1 653 . 1 1 57 57 GLU HG3 H 1 2.010 0.020 . 2 . . . . 57 GLU HG3 . 18130 1 654 . 1 1 57 57 GLU C C 13 174.304 0.3 . 1 . . . . 57 GLU C . 18130 1 655 . 1 1 57 57 GLU CA C 13 54.276 0.3 . 1 . . . . 57 GLU CA . 18130 1 656 . 1 1 57 57 GLU CB C 13 29.433 0.3 . 1 . . . . 57 GLU CB . 18130 1 657 . 1 1 57 57 GLU CG C 13 36.207 0.3 . 1 . . . . 57 GLU CG . 18130 1 658 . 1 1 57 57 GLU CD C 13 183.157 0.3 . 1 . . . . 57 GLU CD . 18130 1 659 . 1 1 57 57 GLU N N 15 126.763 0.3 . 1 . . . . 57 GLU N . 18130 1 660 . 1 1 58 58 ASP H H 1 8.240 0.020 . 1 . . . . 58 ASP H . 18130 1 661 . 1 1 58 58 ASP HA H 1 5.256 0.020 . 1 . . . . 58 ASP HA . 18130 1 662 . 1 1 58 58 ASP HB2 H 1 2.409 0.020 . 2 . . . . 58 ASP HB2 . 18130 1 663 . 1 1 58 58 ASP HB3 H 1 2.367 0.020 . 2 . . . . 58 ASP HB3 . 18130 1 664 . 1 1 58 58 ASP C C 13 172.702 0.3 . 1 . . . . 58 ASP C . 18130 1 665 . 1 1 58 58 ASP CA C 13 51.351 0.3 . 1 . . . . 58 ASP CA . 18130 1 666 . 1 1 58 58 ASP CB C 13 42.259 0.3 . 1 . . . . 58 ASP CB . 18130 1 667 . 1 1 58 58 ASP CG C 13 179.724 0.3 . 1 . . . . 58 ASP CG . 18130 1 668 . 1 1 58 58 ASP N N 15 131.355 0.3 . 1 . . . . 58 ASP N . 18130 1 669 . 1 1 59 59 GLY H H 1 8.234 0.020 . 1 . . . . 59 GLY H . 18130 1 670 . 1 1 59 59 GLY HA2 H 1 4.202 0.020 . 1 . . . . 59 GLY HA2 . 18130 1 671 . 1 1 59 59 GLY HA3 H 1 4.202 0.020 . 1 . . . . 59 GLY HA3 . 18130 1 672 . 1 1 59 59 GLY C C 13 169.883 0.3 . 1 . . . . 59 GLY C . 18130 1 673 . 1 1 59 59 GLY CA C 13 44.879 0.3 . 1 . . . . 59 GLY CA . 18130 1 674 . 1 1 59 59 GLY N N 15 104.742 0.3 . 1 . . . . 59 GLY N . 18130 1 675 . 1 1 60 60 PRO HA H 1 4.502 0.020 . 1 . . . . 60 PRO HA . 18130 1 676 . 1 1 60 60 PRO HB2 H 1 2.353 0.020 . 2 . . . . 60 PRO HB2 . 18130 1 677 . 1 1 60 60 PRO HB3 H 1 2.060 0.020 . 2 . . . . 60 PRO HB3 . 18130 1 678 . 1 1 60 60 PRO HG2 H 1 2.029 0.020 . 1 . . . . 60 PRO HG2 . 18130 1 679 . 1 1 60 60 PRO HG3 H 1 2.029 0.020 . 1 . . . . 60 PRO HG3 . 18130 1 680 . 1 1 60 60 PRO HD2 H 1 3.802 0.020 . 2 . . . . 60 PRO HD2 . 18130 1 681 . 1 1 60 60 PRO HD3 H 1 3.697 0.020 . 2 . . . . 60 PRO HD3 . 18130 1 682 . 1 1 60 60 PRO C C 13 177.089 0.3 . 1 . . . . 60 PRO C . 18130 1 683 . 1 1 60 60 PRO CA C 13 63.244 0.3 . 1 . . . . 60 PRO CA . 18130 1 684 . 1 1 60 60 PRO CB C 13 31.368 0.3 . 1 . . . . 60 PRO CB . 18130 1 685 . 1 1 60 60 PRO CG C 13 26.471 0.3 . 1 . . . . 60 PRO CG . 18130 1 686 . 1 1 60 60 PRO CD C 13 49.440 0.3 . 1 . . . . 60 PRO CD . 18130 1 687 . 1 1 61 61 GLY H H 1 8.035 0.020 . 1 . . . . 61 GLY H . 18130 1 688 . 1 1 61 61 GLY HA2 H 1 3.812 0.020 . 2 . . . . 61 GLY HA2 . 18130 1 689 . 1 1 61 61 GLY HA3 H 1 3.899 0.020 . 2 . . . . 61 GLY HA3 . 18130 1 690 . 1 1 61 61 GLY C C 13 178.651 0.3 . 1 . . . . 61 GLY C . 18130 1 691 . 1 1 61 61 GLY CA C 13 45.579 0.3 . 1 . . . . 61 GLY CA . 18130 1 692 . 1 1 61 61 GLY N N 15 115.535 0.3 . 1 . . . . 61 GLY N . 18130 1 693 . 1 1 62 62 ARG H H 1 7.157 0.020 . 1 . . . . 62 ARG H . 18130 1 694 . 1 1 62 62 ARG C C 13 176.950 0.3 . 1 . . . . 62 ARG C . 18130 1 695 . 1 1 62 62 ARG CA C 13 58.157 0.3 . 1 . . . . 62 ARG CA . 18130 1 696 . 1 1 62 62 ARG CB C 13 28.950 0.3 . 1 . . . . 62 ARG CB . 18130 1 697 . 1 1 62 62 ARG N N 15 118.452 0.3 . 1 . . . . 62 ARG N . 18130 1 698 . 1 1 63 63 ARG H H 1 7.442 0.020 . 1 . . . . 63 ARG H . 18130 1 699 . 1 1 63 63 ARG C C 13 176.696 0.3 . 1 . . . . 63 ARG C . 18130 1 700 . 1 1 63 63 ARG CA C 13 62.89 0.3 . 1 . . . . 63 ARG CA . 18130 1 701 . 1 1 63 63 ARG CB C 13 26.982 0.3 . 1 . . . . 63 ARG CB . 18130 1 702 . 1 1 63 63 ARG N N 15 117.361 0.3 . 1 . . . . 63 ARG N . 18130 1 703 . 1 1 64 64 LEU H H 1 7.971 0.020 . 1 . . . . 64 LEU H . 18130 1 704 . 1 1 64 64 LEU HA H 1 4.326 0.020 . 1 . . . . 64 LEU HA . 18130 1 705 . 1 1 64 64 LEU HB2 H 1 2.089 0.020 . 2 . . . . 64 LEU HB2 . 18130 1 706 . 1 1 64 64 LEU HB3 H 1 1.972 0.020 . 2 . . . . 64 LEU HB3 . 18130 1 707 . 1 1 64 64 LEU HG H 1 2.035 0.020 . 1 . . . . 64 LEU HG . 18130 1 708 . 1 1 64 64 LEU HD11 H 1 1.155 0.020 . 1 . . . . 64 LEU HD1 . 18130 1 709 . 1 1 64 64 LEU HD12 H 1 1.155 0.020 . 1 . . . . 64 LEU HD1 . 18130 1 710 . 1 1 64 64 LEU HD13 H 1 1.155 0.020 . 1 . . . . 64 LEU HD1 . 18130 1 711 . 1 1 64 64 LEU HD21 H 1 1.256 0.020 . 1 . . . . 64 LEU HD2 . 18130 1 712 . 1 1 64 64 LEU HD22 H 1 1.256 0.020 . 1 . . . . 64 LEU HD2 . 18130 1 713 . 1 1 64 64 LEU HD23 H 1 1.256 0.020 . 1 . . . . 64 LEU HD2 . 18130 1 714 . 1 1 64 64 LEU C C 13 180.523 0.3 . 1 . . . . 64 LEU C . 18130 1 715 . 1 1 64 64 LEU CA C 13 58.345 0.3 . 1 . . . . 64 LEU CA . 18130 1 716 . 1 1 64 64 LEU CB C 13 40.361 0.3 . 1 . . . . 64 LEU CB . 18130 1 717 . 1 1 64 64 LEU CG C 13 26.757 0.3 . 1 . . . . 64 LEU CG . 18130 1 718 . 1 1 64 64 LEU CD1 C 13 24.869 0.3 . 1 . . . . 64 LEU CD1 . 18130 1 719 . 1 1 64 64 LEU CD2 C 13 22.187 0.3 . 1 . . . . 64 LEU CD2 . 18130 1 720 . 1 1 64 64 LEU N N 15 120.277 0.3 . 1 . . . . 64 LEU N . 18130 1 721 . 1 1 65 65 GLY H H 1 9.869 0.020 . 1 . . . . 65 GLY H . 18130 1 722 . 1 1 65 65 GLY HA2 H 1 3.548 0.020 . 2 . . . . 65 GLY HA2 . 18130 1 723 . 1 1 65 65 GLY HA3 H 1 3.082 0.020 . 2 . . . . 65 GLY HA3 . 18130 1 724 . 1 1 65 65 GLY C C 13 175.992 0.3 . 1 . . . . 65 GLY C . 18130 1 725 . 1 1 65 65 GLY CA C 13 46.419 0.3 . 1 . . . . 65 GLY CA . 18130 1 726 . 1 1 65 65 GLY N N 15 108.741 0.3 . 1 . . . . 65 GLY N . 18130 1 727 . 1 1 66 66 ARG H H 1 7.397 0.020 . 1 . . . . 66 ARG H . 18130 1 728 . 1 1 66 66 ARG HA H 1 4.075 0.020 . 1 . . . . 66 ARG HA . 18130 1 729 . 1 1 66 66 ARG HB2 H 1 2.030 0.020 . 2 . . . . 66 ARG HB2 . 18130 1 730 . 1 1 66 66 ARG HB3 H 1 1.963 0.020 . 2 . . . . 66 ARG HB3 . 18130 1 731 . 1 1 66 66 ARG HG2 H 1 1.916 0.020 . 2 . . . . 66 ARG HG2 . 18130 1 732 . 1 1 66 66 ARG HG3 H 1 1.818 0.020 . 2 . . . . 66 ARG HG3 . 18130 1 733 . 1 1 66 66 ARG HD2 H 1 3.377 0.020 . 1 . . . . 66 ARG HD2 . 18130 1 734 . 1 1 66 66 ARG HD3 H 1 3.377 0.020 . 1 . . . . 66 ARG HD3 . 18130 1 735 . 1 1 66 66 ARG C C 13 181.083 0.3 . 1 . . . . 66 ARG C . 18130 1 736 . 1 1 66 66 ARG CA C 13 59.330 0.3 . 1 . . . . 66 ARG CA . 18130 1 737 . 1 1 66 66 ARG CB C 13 30.189 0.3 . 1 . . . . 66 ARG CB . 18130 1 738 . 1 1 66 66 ARG CG C 13 26.802 0.3 . 1 . . . . 66 ARG CG . 18130 1 739 . 1 1 66 66 ARG CD C 13 42.778 0.3 . 1 . . . . 66 ARG CD . 18130 1 740 . 1 1 66 66 ARG N N 15 121.614 0.3 . 1 . . . . 66 ARG N . 18130 1 741 . 1 1 67 67 SER H H 1 8.299 0.020 . 1 . . . . 67 SER H . 18130 1 742 . 1 1 67 67 SER HA H 1 4.282 0.020 . 1 . . . . 67 SER HA . 18130 1 743 . 1 1 67 67 SER HB2 H 1 4.079 0.020 . 1 . . . . 67 SER HB2 . 18130 1 744 . 1 1 67 67 SER HB3 H 1 4.079 0.020 . 1 . . . . 67 SER HB3 . 18130 1 745 . 1 1 67 67 SER C C 13 174.702 0.3 . 1 . . . . 67 SER C . 18130 1 746 . 1 1 67 67 SER CA C 13 60.838 0.3 . 1 . . . . 67 SER CA . 18130 1 747 . 1 1 67 67 SER CB C 13 62.261 0.3 . 1 . . . . 67 SER CB . 18130 1 748 . 1 1 67 67 SER N N 15 118.558 0.3 . 1 . . . . 67 SER N . 18130 1 749 . 1 1 68 68 PHE H H 1 7.065 0.020 . 1 . . . . 68 PHE H . 18130 1 750 . 1 1 68 68 PHE HA H 1 4.835 0.020 . 1 . . . . 68 PHE HA . 18130 1 751 . 1 1 68 68 PHE HB2 H 1 3.388 0.020 . 2 . . . . 68 PHE HB2 . 18130 1 752 . 1 1 68 68 PHE HB3 H 1 2.271 0.020 . 2 . . . . 68 PHE HB3 . 18130 1 753 . 1 1 68 68 PHE HD1 H 1 7.388 0.020 . 1 . . . . 68 PHE HD1 . 18130 1 754 . 1 1 68 68 PHE HD2 H 1 7.388 0.020 . 1 . . . . 68 PHE HD2 . 18130 1 755 . 1 1 68 68 PHE HE1 H 1 7.273 0.020 . 1 . . . . 68 PHE HE1 . 18130 1 756 . 1 1 68 68 PHE HE2 H 1 7.273 0.020 . 1 . . . . 68 PHE HE2 . 18130 1 757 . 1 1 68 68 PHE HZ H 1 6.951 0.020 . 1 . . . . 68 PHE HZ . 18130 1 758 . 1 1 68 68 PHE C C 13 173.803 0.3 . 1 . . . . 68 PHE C . 18130 1 759 . 1 1 68 68 PHE CA C 13 58.387 0.3 . 1 . . . . 68 PHE CA . 18130 1 760 . 1 1 68 68 PHE CB C 13 40.124 0.3 . 1 . . . . 68 PHE CB . 18130 1 761 . 1 1 68 68 PHE CD1 C 13 131.899 0.3 . 1 . . . . 68 PHE CD1 . 18130 1 762 . 1 1 68 68 PHE CE1 C 13 130.694 0.3 . 1 . . . . 68 PHE CE1 . 18130 1 763 . 1 1 68 68 PHE CZ C 13 129.240 0.3 . 1 . . . . 68 PHE CZ . 18130 1 764 . 1 1 68 68 PHE N N 15 117.992 0.3 . 1 . . . . 68 PHE N . 18130 1 765 . 1 1 69 69 GLN H H 1 8.024 0.020 . 1 . . . . 69 GLN H . 18130 1 766 . 1 1 69 69 GLN HA H 1 3.967 0.020 . 1 . . . . 69 GLN HA . 18130 1 767 . 1 1 69 69 GLN HB2 H 1 2.336 0.020 . 2 . . . . 69 GLN HB2 . 18130 1 768 . 1 1 69 69 GLN HB3 H 1 2.145 0.020 . 2 . . . . 69 GLN HB3 . 18130 1 769 . 1 1 69 69 GLN HG2 H 1 2.329 0.020 . 1 . . . . 69 GLN HG2 . 18130 1 770 . 1 1 69 69 GLN HG3 H 1 2.329 0.020 . 1 . . . . 69 GLN HG3 . 18130 1 771 . 1 1 69 69 GLN HE21 H 1 7.555 0.020 . 1 . . . . 69 GLN HE21 . 18130 1 772 . 1 1 69 69 GLN HE22 H 1 6.746 0.020 . 1 . . . . 69 GLN HE22 . 18130 1 773 . 1 1 69 69 GLN C C 13 174.504 0.3 . 1 . . . . 69 GLN C . 18130 1 774 . 1 1 69 69 GLN CA C 13 56.252 0.3 . 1 . . . . 69 GLN CA . 18130 1 775 . 1 1 69 69 GLN CB C 13 24.945 0.3 . 1 . . . . 69 GLN CB . 18130 1 776 . 1 1 69 69 GLN CG C 13 33.552 0.3 . 1 . . . . 69 GLN CG . 18130 1 777 . 1 1 69 69 GLN CD C 13 180.570 0.3 . 1 . . . . 69 GLN CD . 18130 1 778 . 1 1 69 69 GLN N N 15 116.085 0.3 . 1 . . . . 69 GLN N . 18130 1 779 . 1 1 69 69 GLN NE2 N 15 112.601 0.3 . 1 . . . . 69 GLN NE2 . 18130 1 780 . 1 1 70 70 VAL H H 1 7.844 0.020 . 1 . . . . 70 VAL H . 18130 1 781 . 1 1 70 70 VAL HA H 1 3.544 0.020 . 1 . . . . 70 VAL HA . 18130 1 782 . 1 1 70 70 VAL HB H 1 1.454 0.020 . 1 . . . . 70 VAL HB . 18130 1 783 . 1 1 70 70 VAL HG11 H 1 0.165 0.020 . 1 . . . . 70 VAL HG1 . 18130 1 784 . 1 1 70 70 VAL HG12 H 1 0.165 0.020 . 1 . . . . 70 VAL HG1 . 18130 1 785 . 1 1 70 70 VAL HG13 H 1 0.165 0.020 . 1 . . . . 70 VAL HG1 . 18130 1 786 . 1 1 70 70 VAL HG21 H 1 0.819 0.020 . 1 . . . . 70 VAL HG2 . 18130 1 787 . 1 1 70 70 VAL HG22 H 1 0.819 0.020 . 1 . . . . 70 VAL HG2 . 18130 1 788 . 1 1 70 70 VAL HG23 H 1 0.819 0.020 . 1 . . . . 70 VAL HG2 . 18130 1 789 . 1 1 70 70 VAL C C 13 176.341 0.3 . 1 . . . . 70 VAL C . 18130 1 790 . 1 1 70 70 VAL CA C 13 64.237 0.3 . 1 . . . . 70 VAL CA . 18130 1 791 . 1 1 70 70 VAL CB C 13 30.084 0.3 . 1 . . . . 70 VAL CB . 18130 1 792 . 1 1 70 70 VAL CG1 C 13 21.521 0.3 . 1 . . . . 70 VAL CG1 . 18130 1 793 . 1 1 70 70 VAL CG2 C 13 20.444 0.3 . 1 . . . . 70 VAL CG2 . 18130 1 794 . 1 1 70 70 VAL N N 15 118.140 0.3 . 1 . . . . 70 VAL N . 18130 1 795 . 1 1 71 71 LYS H H 1 9.055 0.020 . 1 . . . . 71 LYS H . 18130 1 796 . 1 1 71 71 LYS HA H 1 4.401 0.020 . 1 . . . . 71 LYS HA . 18130 1 797 . 1 1 71 71 LYS HB2 H 1 1.801 0.020 . 2 . . . . 71 LYS HB2 . 18130 1 798 . 1 1 71 71 LYS HB3 H 1 1.603 0.020 . 2 . . . . 71 LYS HB3 . 18130 1 799 . 1 1 71 71 LYS HG2 H 1 1.380 0.020 . 2 . . . . 71 LYS HG2 . 18130 1 800 . 1 1 71 71 LYS HG3 H 1 1.288 0.020 . 2 . . . . 71 LYS HG3 . 18130 1 801 . 1 1 71 71 LYS HD2 H 1 1.600 0.020 . 1 . . . . 71 LYS HD2 . 18130 1 802 . 1 1 71 71 LYS HD3 H 1 1.600 0.020 . 1 . . . . 71 LYS HD3 . 18130 1 803 . 1 1 71 71 LYS HE2 H 1 2.914 0.020 . 1 . . . . 71 LYS HE2 . 18130 1 804 . 1 1 71 71 LYS HE3 H 1 2.914 0.020 . 1 . . . . 71 LYS HE3 . 18130 1 805 . 1 1 71 71 LYS C C 13 174.304 0.3 . 1 . . . . 71 LYS C . 18130 1 806 . 1 1 71 71 LYS CA C 13 55.620 0.3 . 1 . . . . 71 LYS CA . 18130 1 807 . 1 1 71 71 LYS CB C 13 34.432 0.3 . 1 . . . . 71 LYS CB . 18130 1 808 . 1 1 71 71 LYS CG C 13 23.900 0.3 . 1 . . . . 71 LYS CG . 18130 1 809 . 1 1 71 71 LYS CD C 13 28.152 0.3 . 1 . . . . 71 LYS CD . 18130 1 810 . 1 1 71 71 LYS CE C 13 41.526 0.3 . 1 . . . . 71 LYS CE . 18130 1 811 . 1 1 71 71 LYS N N 15 129.432 0.3 . 1 . . . . 71 LYS N . 18130 1 812 . 1 1 72 72 LEU H H 1 7.561 0.020 . 1 . . . . 72 LEU H . 18130 1 813 . 1 1 72 72 LEU HA H 1 4.083 0.020 . 1 . . . . 72 LEU HA . 18130 1 814 . 1 1 72 72 LEU HB2 H 1 1.357 0.020 . 2 . . . . 72 LEU HB2 . 18130 1 815 . 1 1 72 72 LEU HB3 H 1 1.061 0.020 . 2 . . . . 72 LEU HB3 . 18130 1 816 . 1 1 72 72 LEU HG H 1 1.349 0.020 . 1 . . . . 72 LEU HG . 18130 1 817 . 1 1 72 72 LEU HD11 H 1 0.721 0.020 . 1 . . . . 72 LEU HD1 . 18130 1 818 . 1 1 72 72 LEU HD12 H 1 0.721 0.020 . 1 . . . . 72 LEU HD1 . 18130 1 819 . 1 1 72 72 LEU HD13 H 1 0.721 0.020 . 1 . . . . 72 LEU HD1 . 18130 1 820 . 1 1 72 72 LEU HD21 H 1 0.709 0.020 . 1 . . . . 72 LEU HD2 . 18130 1 821 . 1 1 72 72 LEU HD22 H 1 0.709 0.020 . 1 . . . . 72 LEU HD2 . 18130 1 822 . 1 1 72 72 LEU HD23 H 1 0.709 0.020 . 1 . . . . 72 LEU HD2 . 18130 1 823 . 1 1 72 72 LEU C C 13 174.252 0.3 . 1 . . . . 72 LEU C . 18130 1 824 . 1 1 72 72 LEU CA C 13 52.774 0.3 . 1 . . . . 72 LEU CA . 18130 1 825 . 1 1 72 72 LEU CB C 13 45.579 0.3 . 1 . . . . 72 LEU CB . 18130 1 826 . 1 1 72 72 LEU CG C 13 25.643 0.3 . 1 . . . . 72 LEU CG . 18130 1 827 . 1 1 72 72 LEU CD1 C 13 24.558 0.3 . 1 . . . . 72 LEU CD1 . 18130 1 828 . 1 1 72 72 LEU CD2 C 13 22.468 0.3 . 1 . . . . 72 LEU CD2 . 18130 1 829 . 1 1 72 72 LEU N N 15 119.177 0.3 . 1 . . . . 72 LEU N . 18130 1 830 . 1 1 73 73 TRP H H 1 8.336 0.020 . 1 . . . . 73 TRP H . 18130 1 831 . 1 1 73 73 TRP HA H 1 5.289 0.020 . 1 . . . . 73 TRP HA . 18130 1 832 . 1 1 73 73 TRP HB2 H 1 3.460 0.020 . 2 . . . . 73 TRP HB2 . 18130 1 833 . 1 1 73 73 TRP HB3 H 1 2.999 0.020 . 2 . . . . 73 TRP HB3 . 18130 1 834 . 1 1 73 73 TRP HD1 H 1 7.060 0.020 . 1 . . . . 73 TRP HD1 . 18130 1 835 . 1 1 73 73 TRP HE1 H 1 11.518 0.020 . 1 . . . . 73 TRP HE1 . 18130 1 836 . 1 1 73 73 TRP HE3 H 1 7.536 0.020 . 1 . . . . 73 TRP HE3 . 18130 1 837 . 1 1 73 73 TRP HZ2 H 1 6.948 0.020 . 1 . . . . 73 TRP HZ2 . 18130 1 838 . 1 1 73 73 TRP HZ3 H 1 6.504 0.020 . 1 . . . . 73 TRP HZ3 . 18130 1 839 . 1 1 73 73 TRP HH2 H 1 6.919 0.020 . 1 . . . . 73 TRP HH2 . 18130 1 840 . 1 1 73 73 TRP C C 13 173.664 0.3 . 1 . . . . 73 TRP C . 18130 1 841 . 1 1 73 73 TRP CA C 13 51.430 0.3 . 1 . . . . 73 TRP CA . 18130 1 842 . 1 1 73 73 TRP CB C 13 29.937 0.3 . 1 . . . . 73 TRP CB . 18130 1 843 . 1 1 73 73 TRP CD1 C 13 128.147 0.3 . 1 . . . . 73 TRP CD1 . 18130 1 844 . 1 1 73 73 TRP CE3 C 13 120.694 0.3 . 1 . . . . 73 TRP CE3 . 18130 1 845 . 1 1 73 73 TRP CZ2 C 13 112.838 0.3 . 1 . . . . 73 TRP CZ2 . 18130 1 846 . 1 1 73 73 TRP CZ3 C 13 116.789 0.3 . 1 . . . . 73 TRP CZ3 . 18130 1 847 . 1 1 73 73 TRP CH2 C 13 119.349 0.3 . 1 . . . . 73 TRP CH2 . 18130 1 848 . 1 1 73 73 TRP N N 15 118.748 0.3 . 1 . . . . 73 TRP N . 18130 1 849 . 1 1 73 73 TRP NE1 N 15 131.785 0.3 . 1 . . . . 73 TRP NE1 . 18130 1 850 . 1 1 74 74 PRO HA H 1 5.467 0.020 . 1 . . . . 74 PRO HA . 18130 1 851 . 1 1 74 74 PRO HB2 H 1 2.798 0.020 . 2 . . . . 74 PRO HB2 . 18130 1 852 . 1 1 74 74 PRO HB3 H 1 1.467 0.020 . 2 . . . . 74 PRO HB3 . 18130 1 853 . 1 1 74 74 PRO HG2 H 1 2.257 0.020 . 1 . . . . 74 PRO HG2 . 18130 1 854 . 1 1 74 74 PRO HG3 H 1 2.257 0.020 . 1 . . . . 74 PRO HG3 . 18130 1 855 . 1 1 74 74 PRO HD2 H 1 4.058 0.020 . 2 . . . . 74 PRO HD2 . 18130 1 856 . 1 1 74 74 PRO HD3 H 1 3.387 0.020 . 2 . . . . 74 PRO HD3 . 18130 1 857 . 1 1 74 74 PRO C C 13 176.779 0.3 . 1 . . . . 74 PRO C . 18130 1 858 . 1 1 74 74 PRO CA C 13 62.083 0.3 . 1 . . . . 74 PRO CA . 18130 1 859 . 1 1 74 74 PRO CB C 13 32.218 0.3 . 1 . . . . 74 PRO CB . 18130 1 860 . 1 1 74 74 PRO CG C 13 25.763 0.3 . 1 . . . . 74 PRO CG . 18130 1 861 . 1 1 74 74 PRO CD C 13 49.689 0.3 . 1 . . . . 74 PRO CD . 18130 1 862 . 1 1 75 75 THR H H 1 8.339 0.020 . 1 . . . . 75 THR H . 18130 1 863 . 1 1 75 75 THR HA H 1 5.065 0.020 . 1 . . . . 75 THR HA . 18130 1 864 . 1 1 75 75 THR HB H 1 4.074 0.020 . 1 . . . . 75 THR HB . 18130 1 865 . 1 1 75 75 THR HG21 H 1 1.218 0.020 . 1 . . . . 75 THR HG2 . 18130 1 866 . 1 1 75 75 THR HG22 H 1 1.218 0.020 . 1 . . . . 75 THR HG2 . 18130 1 867 . 1 1 75 75 THR HG23 H 1 1.218 0.020 . 1 . . . . 75 THR HG2 . 18130 1 868 . 1 1 75 75 THR C C 13 171.134 0.3 . 1 . . . . 75 THR C . 18130 1 869 . 1 1 75 75 THR CA C 13 63.209 0.3 . 1 . . . . 75 THR CA . 18130 1 870 . 1 1 75 75 THR CB C 13 71.194 0.3 . 1 . . . . 75 THR CB . 18130 1 871 . 1 1 75 75 THR CG2 C 13 20.662 0.3 . 1 . . . . 75 THR CG2 . 18130 1 872 . 1 1 75 75 THR N N 15 115.539 0.3 . 1 . . . . 75 THR N . 18130 1 873 . 1 1 76 76 PHE H H 1 9.778 0.020 . 1 . . . . 76 PHE H . 18130 1 874 . 1 1 76 76 PHE HA H 1 4.911 0.020 . 1 . . . . 76 PHE HA . 18130 1 875 . 1 1 76 76 PHE HB2 H 1 3.337 0.020 . 2 . . . . 76 PHE HB2 . 18130 1 876 . 1 1 76 76 PHE HB3 H 1 2.732 0.020 . 2 . . . . 76 PHE HB3 . 18130 1 877 . 1 1 76 76 PHE HD1 H 1 6.744 0.020 . 1 . . . . 76 PHE HD1 . 18130 1 878 . 1 1 76 76 PHE HD2 H 1 6.744 0.020 . 1 . . . . 76 PHE HD2 . 18130 1 879 . 1 1 76 76 PHE HE1 H 1 6.358 0.020 . 1 . . . . 76 PHE HE1 . 18130 1 880 . 1 1 76 76 PHE HE2 H 1 6.358 0.020 . 1 . . . . 76 PHE HE2 . 18130 1 881 . 1 1 76 76 PHE HZ H 1 5.909 0.020 . 1 . . . . 76 PHE HZ . 18130 1 882 . 1 1 76 76 PHE C C 13 172.990 0.3 . 1 . . . . 76 PHE C . 18130 1 883 . 1 1 76 76 PHE CA C 13 56.338 0.3 . 1 . . . . 76 PHE CA . 18130 1 884 . 1 1 76 76 PHE CB C 13 39.413 0.3 . 1 . . . . 76 PHE CB . 18130 1 885 . 1 1 76 76 PHE CD1 C 13 130.944 0.3 . 1 . . . . 76 PHE CD1 . 18130 1 886 . 1 1 76 76 PHE CE1 C 13 128.490 0.3 . 1 . . . . 76 PHE CE1 . 18130 1 887 . 1 1 76 76 PHE CZ C 13 131.019 0.3 . 1 . . . . 76 PHE CZ . 18130 1 888 . 1 1 76 76 PHE N N 15 126.933 0.3 . 1 . . . . 76 PHE N . 18130 1 889 . 1 1 77 77 VAL H H 1 9.592 0.020 . 1 . . . . 77 VAL H . 18130 1 890 . 1 1 77 77 VAL HA H 1 4.396 0.020 . 1 . . . . 77 VAL HA . 18130 1 891 . 1 1 77 77 VAL HB H 1 1.816 0.020 . 1 . . . . 77 VAL HB . 18130 1 892 . 1 1 77 77 VAL HG11 H 1 0.783 0.020 . 1 . . . . 77 VAL HG1 . 18130 1 893 . 1 1 77 77 VAL HG12 H 1 0.783 0.020 . 1 . . . . 77 VAL HG1 . 18130 1 894 . 1 1 77 77 VAL HG13 H 1 0.783 0.020 . 1 . . . . 77 VAL HG1 . 18130 1 895 . 1 1 77 77 VAL HG21 H 1 0.729 0.020 . 1 . . . . 77 VAL HG2 . 18130 1 896 . 1 1 77 77 VAL HG22 H 1 0.729 0.020 . 1 . . . . 77 VAL HG2 . 18130 1 897 . 1 1 77 77 VAL HG23 H 1 0.729 0.020 . 1 . . . . 77 VAL HG2 . 18130 1 898 . 1 1 77 77 VAL C C 13 172.770 0.3 . 1 . . . . 77 VAL C . 18130 1 899 . 1 1 77 77 VAL CA C 13 62.023 0.3 . 1 . . . . 77 VAL CA . 18130 1 900 . 1 1 77 77 VAL CB C 13 32.614 0.3 . 1 . . . . 77 VAL CB . 18130 1 901 . 1 1 77 77 VAL CG1 C 13 20.923 0.3 . 1 . . . . 77 VAL CG1 . 18130 1 902 . 1 1 77 77 VAL CG2 C 13 19.825 0.3 . 1 . . . . 77 VAL CG2 . 18130 1 903 . 1 1 77 77 VAL N N 15 124.892 0.3 . 1 . . . . 77 VAL N . 18130 1 904 . 1 1 78 78 PHE H H 1 8.815 0.020 . 1 . . . . 78 PHE H . 18130 1 905 . 1 1 78 78 PHE HA H 1 4.555 0.020 . 1 . . . . 78 PHE HA . 18130 1 906 . 1 1 78 78 PHE HB2 H 1 3.091 0.020 . 2 . . . . 78 PHE HB2 . 18130 1 907 . 1 1 78 78 PHE HB3 H 1 2.504 0.020 . 2 . . . . 78 PHE HB3 . 18130 1 908 . 1 1 78 78 PHE HD1 H 1 7.234 0.020 . 3 . . . . 78 PHE HD1 . 18130 1 909 . 1 1 78 78 PHE HD2 H 1 7.179 0.020 . 3 . . . . 78 PHE HD2 . 18130 1 910 . 1 1 78 78 PHE HE1 H 1 7.055 0.020 . 1 . . . . 78 PHE HE1 . 18130 1 911 . 1 1 78 78 PHE HE2 H 1 7.055 0.020 . 1 . . . . 78 PHE HE2 . 18130 1 912 . 1 1 78 78 PHE HZ H 1 5.673 0.020 . 1 . . . . 78 PHE HZ . 18130 1 913 . 1 1 78 78 PHE C C 13 173.523 0.3 . 1 . . . . 78 PHE C . 18130 1 914 . 1 1 78 78 PHE CA C 13 56.688 0.3 . 1 . . . . 78 PHE CA . 18130 1 915 . 1 1 78 78 PHE CB C 13 37.752 0.3 . 1 . . . . 78 PHE CB . 18130 1 916 . 1 1 78 78 PHE CD1 C 13 130.804 0.3 . 1 . . . . 78 PHE CD1 . 18130 1 917 . 1 1 78 78 PHE CE1 C 13 127.867 0.3 . 1 . . . . 78 PHE CE1 . 18130 1 918 . 1 1 78 78 PHE CZ C 13 130.621 0.3 . 1 . . . . 78 PHE CZ . 18130 1 919 . 1 1 78 78 PHE N N 15 127.313 0.3 . 1 . . . . 78 PHE N . 18130 1 920 . 1 1 79 79 LEU H H 1 9.549 0.020 . 1 . . . . 79 LEU H . 18130 1 921 . 1 1 79 79 LEU HA H 1 5.198 0.020 . 1 . . . . 79 LEU HA . 18130 1 922 . 1 1 79 79 LEU HB2 H 1 1.961 0.020 . 2 . . . . 79 LEU HB2 . 18130 1 923 . 1 1 79 79 LEU HB3 H 1 1.158 0.020 . 2 . . . . 79 LEU HB3 . 18130 1 924 . 1 1 79 79 LEU HG H 1 1.496 0.020 . 1 . . . . 79 LEU HG . 18130 1 925 . 1 1 79 79 LEU HD11 H 1 0.804 0.020 . 1 . . . . 79 LEU HD1 . 18130 1 926 . 1 1 79 79 LEU HD12 H 1 0.804 0.020 . 1 . . . . 79 LEU HD1 . 18130 1 927 . 1 1 79 79 LEU HD13 H 1 0.804 0.020 . 1 . . . . 79 LEU HD1 . 18130 1 928 . 1 1 79 79 LEU HD21 H 1 0.751 0.020 . 1 . . . . 79 LEU HD2 . 18130 1 929 . 1 1 79 79 LEU HD22 H 1 0.751 0.020 . 1 . . . . 79 LEU HD2 . 18130 1 930 . 1 1 79 79 LEU HD23 H 1 0.751 0.020 . 1 . . . . 79 LEU HD2 . 18130 1 931 . 1 1 79 79 LEU C C 13 174.726 0.3 . 1 . . . . 79 LEU C . 18130 1 932 . 1 1 79 79 LEU CA C 13 52.492 0.3 . 1 . . . . 79 LEU CA . 18130 1 933 . 1 1 79 79 LEU CB C 13 45.105 0.3 . 1 . . . . 79 LEU CB . 18130 1 934 . 1 1 79 79 LEU CG C 13 26.219 0.3 . 1 . . . . 79 LEU CG . 18130 1 935 . 1 1 79 79 LEU CD1 C 13 25.697 0.3 . 1 . . . . 79 LEU CD1 . 18130 1 936 . 1 1 79 79 LEU CD2 C 13 22.729 0.3 . 1 . . . . 79 LEU CD2 . 18130 1 937 . 1 1 79 79 LEU N N 15 125.114 0.3 . 1 . . . . 79 LEU N . 18130 1 938 . 1 1 80 80 ARG H H 1 9.114 0.020 . 1 . . . . 80 ARG H . 18130 1 939 . 1 1 80 80 ARG HA H 1 4.717 0.020 . 1 . . . . 80 ARG HA . 18130 1 940 . 1 1 80 80 ARG HB2 H 1 1.897 0.020 . 2 . . . . 80 ARG HB2 . 18130 1 941 . 1 1 80 80 ARG HB3 H 1 1.611 0.020 . 2 . . . . 80 ARG HB3 . 18130 1 942 . 1 1 80 80 ARG HG2 H 1 1.668 0.020 . 2 . . . . 80 ARG HG2 . 18130 1 943 . 1 1 80 80 ARG HG3 H 1 1.482 0.020 . 2 . . . . 80 ARG HG3 . 18130 1 944 . 1 1 80 80 ARG HD2 H 1 3.275 0.020 . 1 . . . . 80 ARG HD2 . 18130 1 945 . 1 1 80 80 ARG HD3 H 1 3.275 0.020 . 1 . . . . 80 ARG HD3 . 18130 1 946 . 1 1 80 80 ARG C C 13 175.807 0.3 . 1 . . . . 80 ARG C . 18130 1 947 . 1 1 80 80 ARG CA C 13 54.262 0.3 . 1 . . . . 80 ARG CA . 18130 1 948 . 1 1 80 80 ARG CB C 13 32.139 0.3 . 1 . . . . 80 ARG CB . 18130 1 949 . 1 1 80 80 ARG CG C 13 26.505 0.3 . 1 . . . . 80 ARG CG . 18130 1 950 . 1 1 80 80 ARG CD C 13 42.631 0.3 . 1 . . . . 80 ARG CD . 18130 1 951 . 1 1 80 80 ARG N N 15 121.565 0.3 . 1 . . . . 80 ARG N . 18130 1 952 . 1 1 81 81 ASP H H 1 9.053 0.020 . 1 . . . . 81 ASP H . 18130 1 953 . 1 1 81 81 ASP HA H 1 4.722 0.020 . 1 . . . . 81 ASP HA . 18130 1 954 . 1 1 81 81 ASP HB2 H 1 2.975 0.020 . 2 . . . . 81 ASP HB2 . 18130 1 955 . 1 1 81 81 ASP HB3 H 1 2.874 0.020 . 2 . . . . 81 ASP HB3 . 18130 1 956 . 1 1 81 81 ASP C C 13 175.930 0.3 . 1 . . . . 81 ASP C . 18130 1 957 . 1 1 81 81 ASP CA C 13 55.267 0.3 . 1 . . . . 81 ASP CA . 18130 1 958 . 1 1 81 81 ASP CB C 13 39.096 0.3 . 1 . . . . 81 ASP CB . 18130 1 959 . 1 1 81 81 ASP CG C 13 181.378 0.3 . 1 . . . . 81 ASP CG . 18130 1 960 . 1 1 81 81 ASP N N 15 128.059 0.3 . 1 . . . . 81 ASP N . 18130 1 961 . 1 1 82 82 GLY H H 1 8.119 0.020 . 1 . . . . 82 GLY H . 18130 1 962 . 1 1 82 82 GLY HA2 H 1 4.444 0.020 . 2 . . . . 82 GLY HA2 . 18130 1 963 . 1 1 82 82 GLY HA3 H 1 3.843 0.020 . 2 . . . . 82 GLY HA3 . 18130 1 964 . 1 1 82 82 GLY C C 13 173.116 0.3 . 1 . . . . 82 GLY C . 18130 1 965 . 1 1 82 82 GLY CA C 13 45.507 0.3 . 1 . . . . 82 GLY CA . 18130 1 966 . 1 1 82 82 GLY N N 15 102.227 0.3 . 1 . . . . 82 GLY N . 18130 1 967 . 1 1 83 83 ARG H H 1 7.741 0.020 . 1 . . . . 83 ARG H . 18130 1 968 . 1 1 83 83 ARG HA H 1 4.709 0.020 . 1 . . . . 83 ARG HA . 18130 1 969 . 1 1 83 83 ARG HB2 H 1 1.888 0.020 . 2 . . . . 83 ARG HB2 . 18130 1 970 . 1 1 83 83 ARG HB3 H 1 1.833 0.020 . 2 . . . . 83 ARG HB3 . 18130 1 971 . 1 1 83 83 ARG HG2 H 1 1.691 0.020 . 2 . . . . 83 ARG HG2 . 18130 1 972 . 1 1 83 83 ARG HG3 H 1 1.605 0.020 . 2 . . . . 83 ARG HG3 . 18130 1 973 . 1 1 83 83 ARG HD2 H 1 3.271 0.020 . 1 . . . . 83 ARG HD2 . 18130 1 974 . 1 1 83 83 ARG HD3 H 1 3.271 0.020 . 1 . . . . 83 ARG HD3 . 18130 1 975 . 1 1 83 83 ARG C C 13 175.314 0.3 . 1 . . . . 83 ARG C . 18130 1 976 . 1 1 83 83 ARG CA C 13 53.643 0.3 . 1 . . . . 83 ARG CA . 18130 1 977 . 1 1 83 83 ARG CB C 13 31.744 0.3 . 1 . . . . 83 ARG CB . 18130 1 978 . 1 1 83 83 ARG CG C 13 26.575 0.3 . 1 . . . . 83 ARG CG . 18130 1 979 . 1 1 83 83 ARG CD C 13 42.896 0.3 . 1 . . . . 83 ARG CD . 18130 1 980 . 1 1 83 83 ARG N N 15 120.065 0.3 . 1 . . . . 83 ARG N . 18130 1 981 . 1 1 84 84 GLU H H 1 9.005 0.020 . 1 . . . . 84 GLU H . 18130 1 982 . 1 1 84 84 GLU HA H 1 4.550 0.020 . 1 . . . . 84 GLU HA . 18130 1 983 . 1 1 84 84 GLU HB2 H 1 2.090 0.020 . 2 . . . . 84 GLU HB2 . 18130 1 984 . 1 1 84 84 GLU HB3 H 1 1.991 0.020 . 2 . . . . 84 GLU HB3 . 18130 1 985 . 1 1 84 84 GLU HG2 H 1 2.395 0.020 . 1 . . . . 84 GLU HG2 . 18130 1 986 . 1 1 84 84 GLU HG3 H 1 2.395 0.020 . 1 . . . . 84 GLU HG3 . 18130 1 987 . 1 1 84 84 GLU C C 13 176.633 0.3 . 1 . . . . 84 GLU C . 18130 1 988 . 1 1 84 84 GLU CA C 13 57.043 0.3 . 1 . . . . 84 GLU CA . 18130 1 989 . 1 1 84 84 GLU CB C 13 28.819 0.3 . 1 . . . . 84 GLU CB . 18130 1 990 . 1 1 84 84 GLU CG C 13 35.603 0.3 . 1 . . . . 84 GLU CG . 18130 1 991 . 1 1 84 84 GLU CD C 13 183.322 0.3 . 1 . . . . 84 GLU CD . 18130 1 992 . 1 1 84 84 GLU N N 15 126.182 0.3 . 1 . . . . 84 GLU N . 18130 1 993 . 1 1 85 85 VAL H H 1 9.317 0.020 . 1 . . . . 85 VAL H . 18130 1 994 . 1 1 85 85 VAL HA H 1 4.536 0.020 . 1 . . . . 85 VAL HA . 18130 1 995 . 1 1 85 85 VAL HB H 1 2.192 0.020 . 1 . . . . 85 VAL HB . 18130 1 996 . 1 1 85 85 VAL HG11 H 1 0.976 0.020 . 1 . . . . 85 VAL HG1 . 18130 1 997 . 1 1 85 85 VAL HG12 H 1 0.976 0.020 . 1 . . . . 85 VAL HG1 . 18130 1 998 . 1 1 85 85 VAL HG13 H 1 0.976 0.020 . 1 . . . . 85 VAL HG1 . 18130 1 999 . 1 1 85 85 VAL HG21 H 1 0.863 0.020 . 1 . . . . 85 VAL HG2 . 18130 1 1000 . 1 1 85 85 VAL HG22 H 1 0.863 0.020 . 1 . . . . 85 VAL HG2 . 18130 1 1001 . 1 1 85 85 VAL HG23 H 1 0.863 0.020 . 1 . . . . 85 VAL HG2 . 18130 1 1002 . 1 1 85 85 VAL C C 13 174.858 0.3 . 1 . . . . 85 VAL C . 18130 1 1003 . 1 1 85 85 VAL CA C 13 60.917 0.3 . 1 . . . . 85 VAL CA . 18130 1 1004 . 1 1 85 85 VAL CB C 13 32.930 0.3 . 1 . . . . 85 VAL CB . 18130 1 1005 . 1 1 85 85 VAL CG1 C 13 21.016 0.3 . 1 . . . . 85 VAL CG1 . 18130 1 1006 . 1 1 85 85 VAL CG2 C 13 19.244 0.3 . 1 . . . . 85 VAL CG2 . 18130 1 1007 . 1 1 85 85 VAL N N 15 123.116 0.3 . 1 . . . . 85 VAL N . 18130 1 1008 . 1 1 86 86 ALA H H 1 7.968 0.020 . 1 . . . . 86 ALA H . 18130 1 1009 . 1 1 86 86 ALA HA H 1 4.684 0.020 . 1 . . . . 86 ALA HA . 18130 1 1010 . 1 1 86 86 ALA HB1 H 1 1.176 0.020 . 1 . . . . 86 ALA HB . 18130 1 1011 . 1 1 86 86 ALA HB2 H 1 1.176 0.020 . 1 . . . . 86 ALA HB . 18130 1 1012 . 1 1 86 86 ALA HB3 H 1 1.176 0.020 . 1 . . . . 86 ALA HB . 18130 1 1013 . 1 1 86 86 ALA C C 13 174.371 0.3 . 1 . . . . 86 ALA C . 18130 1 1014 . 1 1 86 86 ALA CA C 13 51.535 0.3 . 1 . . . . 86 ALA CA . 18130 1 1015 . 1 1 86 86 ALA CB C 13 20.360 0.3 . 1 . . . . 86 ALA CB . 18130 1 1016 . 1 1 86 86 ALA N N 15 120.974 0.3 . 1 . . . . 86 ALA N . 18130 1 1017 . 1 1 87 87 ARG H H 1 8.531 0.020 . 1 . . . . 87 ARG H . 18130 1 1018 . 1 1 87 87 ARG HA H 1 5.686 0.020 . 1 . . . . 87 ARG HA . 18130 1 1019 . 1 1 87 87 ARG HB2 H 1 2.357 0.020 . 2 . . . . 87 ARG HB2 . 18130 1 1020 . 1 1 87 87 ARG HB3 H 1 1.840 0.020 . 2 . . . . 87 ARG HB3 . 18130 1 1021 . 1 1 87 87 ARG HG2 H 1 1.584 0.020 . 2 . . . . 87 ARG HG2 . 18130 1 1022 . 1 1 87 87 ARG HG3 H 1 1.498 0.020 . 2 . . . . 87 ARG HG3 . 18130 1 1023 . 1 1 87 87 ARG HD2 H 1 3.180 0.020 . 1 . . . . 87 ARG HD2 . 18130 1 1024 . 1 1 87 87 ARG HD3 H 1 3.180 0.020 . 1 . . . . 87 ARG HD3 . 18130 1 1025 . 1 1 87 87 ARG C C 13 174.252 0.3 . 1 . . . . 87 ARG C . 18130 1 1026 . 1 1 87 87 ARG CA C 13 55.224 0.3 . 1 . . . . 87 ARG CA . 18130 1 1027 . 1 1 87 87 ARG CB C 13 33.009 0.3 . 1 . . . . 87 ARG CB . 18130 1 1028 . 1 1 87 87 ARG CG C 13 26.610 0.3 . 1 . . . . 87 ARG CG . 18130 1 1029 . 1 1 87 87 ARG CD C 13 42.969 0.3 . 1 . . . . 87 ARG CD . 18130 1 1030 . 1 1 87 87 ARG N N 15 118.700 0.3 . 1 . . . . 87 ARG N . 18130 1 1031 . 1 1 88 88 VAL H H 1 9.475 0.020 . 1 . . . . 88 VAL H . 18130 1 1032 . 1 1 88 88 VAL HA H 1 4.578 0.020 . 1 . . . . 88 VAL HA . 18130 1 1033 . 1 1 88 88 VAL HB H 1 2.065 0.020 . 1 . . . . 88 VAL HB . 18130 1 1034 . 1 1 88 88 VAL HG11 H 1 0.986 0.020 . 1 . . . . 88 VAL HG1 . 18130 1 1035 . 1 1 88 88 VAL HG12 H 1 0.986 0.020 . 1 . . . . 88 VAL HG1 . 18130 1 1036 . 1 1 88 88 VAL HG13 H 1 0.986 0.020 . 1 . . . . 88 VAL HG1 . 18130 1 1037 . 1 1 88 88 VAL HG21 H 1 0.954 0.020 . 1 . . . . 88 VAL HG2 . 18130 1 1038 . 1 1 88 88 VAL HG22 H 1 0.954 0.020 . 1 . . . . 88 VAL HG2 . 18130 1 1039 . 1 1 88 88 VAL HG23 H 1 0.954 0.020 . 1 . . . . 88 VAL HG2 . 18130 1 1040 . 1 1 88 88 VAL C C 13 173.397 0.3 . 1 . . . . 88 VAL C . 18130 1 1041 . 1 1 88 88 VAL CA C 13 60.442 0.3 . 1 . . . . 88 VAL CA . 18130 1 1042 . 1 1 88 88 VAL CB C 13 35.934 0.3 . 1 . . . . 88 VAL CB . 18130 1 1043 . 1 1 88 88 VAL CG1 C 13 22.436 0.3 . 1 . . . . 88 VAL CG1 . 18130 1 1044 . 1 1 88 88 VAL CG2 C 13 21.559 0.3 . 1 . . . . 88 VAL CG2 . 18130 1 1045 . 1 1 88 88 VAL N N 15 124.395 0.3 . 1 . . . . 88 VAL N . 18130 1 1046 . 1 1 89 89 VAL H H 1 9.099 0.020 . 1 . . . . 89 VAL H . 18130 1 1047 . 1 1 89 89 VAL HA H 1 4.925 0.020 . 1 . . . . 89 VAL HA . 18130 1 1048 . 1 1 89 89 VAL HB H 1 2.020 0.020 . 1 . . . . 89 VAL HB . 18130 1 1049 . 1 1 89 89 VAL HG11 H 1 1.108 0.020 . 1 . . . . 89 VAL HG1 . 18130 1 1050 . 1 1 89 89 VAL HG12 H 1 1.108 0.020 . 1 . . . . 89 VAL HG1 . 18130 1 1051 . 1 1 89 89 VAL HG13 H 1 1.108 0.020 . 1 . . . . 89 VAL HG1 . 18130 1 1052 . 1 1 89 89 VAL HG21 H 1 0.898 0.020 . 1 . . . . 89 VAL HG2 . 18130 1 1053 . 1 1 89 89 VAL HG22 H 1 0.898 0.020 . 1 . . . . 89 VAL HG2 . 18130 1 1054 . 1 1 89 89 VAL HG23 H 1 0.898 0.020 . 1 . . . . 89 VAL HG2 . 18130 1 1055 . 1 1 89 89 VAL C C 13 175.522 0.3 . 1 . . . . 89 VAL C . 18130 1 1056 . 1 1 89 89 VAL CA C 13 60.126 0.3 . 1 . . . . 89 VAL CA . 18130 1 1057 . 1 1 89 89 VAL CB C 13 33.800 0.3 . 1 . . . . 89 VAL CB . 18130 1 1058 . 1 1 89 89 VAL CG1 C 13 20.618 0.3 . 1 . . . . 89 VAL CG1 . 18130 1 1059 . 1 1 89 89 VAL CG2 C 13 20.144 0.3 . 1 . . . . 89 VAL CG2 . 18130 1 1060 . 1 1 89 89 VAL N N 15 129.666 0.3 . 1 . . . . 89 VAL N . 18130 1 1061 . 1 1 90 90 ARG H H 1 8.642 0.020 . 1 . . . . 90 ARG H . 18130 1 1062 . 1 1 90 90 ARG HA H 1 4.075 0.020 . 1 . . . . 90 ARG HA . 18130 1 1063 . 1 1 90 90 ARG HB2 H 1 2.122 0.020 . 1 . . . . 90 ARG HB2 . 18130 1 1064 . 1 1 90 90 ARG HB3 H 1 2.122 0.020 . 1 . . . . 90 ARG HB3 . 18130 1 1065 . 1 1 90 90 ARG HG2 H 1 1.882 0.020 . 2 . . . . 90 ARG HG2 . 18130 1 1066 . 1 1 90 90 ARG HG3 H 1 1.558 0.020 . 2 . . . . 90 ARG HG3 . 18130 1 1067 . 1 1 90 90 ARG HD2 H 1 2.880 0.020 . 1 . . . . 90 ARG HD2 . 18130 1 1068 . 1 1 90 90 ARG HD3 H 1 2.880 0.020 . 1 . . . . 90 ARG HD3 . 18130 1 1069 . 1 1 90 90 ARG HE H 1 6.794 0.020 . 1 . . . . 90 ARG HE . 18130 1 1070 . 1 1 90 90 ARG C C 13 172.107 0.3 . 1 . . . . 90 ARG C . 18130 1 1071 . 1 1 90 90 ARG CA C 13 57.438 0.3 . 1 . . . . 90 ARG CA . 18130 1 1072 . 1 1 90 90 ARG CB C 13 29.135 0.3 . 1 . . . . 90 ARG CB . 18130 1 1073 . 1 1 90 90 ARG CG C 13 27.651 0.3 . 1 . . . . 90 ARG CG . 18130 1 1074 . 1 1 90 90 ARG CD C 13 43.333 0.3 . 1 . . . . 90 ARG CD . 18130 1 1075 . 1 1 90 90 ARG N N 15 119.028 0.3 . 1 . . . . 90 ARG N . 18130 1 1076 . 1 1 90 90 ARG NE N 15 82.854 0.3 . 1 . . . . 90 ARG NE . 18130 1 1077 . 1 1 91 91 PRO HA H 1 4.459 0.020 . 1 . . . . 91 PRO HA . 18130 1 1078 . 1 1 91 91 PRO HB2 H 1 1.948 0.020 . 1 . . . . 91 PRO HB2 . 18130 1 1079 . 1 1 91 91 PRO HB3 H 1 1.948 0.020 . 1 . . . . 91 PRO HB3 . 18130 1 1080 . 1 1 91 91 PRO HG2 H 1 2.065 0.020 . 2 . . . . 91 PRO HG2 . 18130 1 1081 . 1 1 91 91 PRO HG3 H 1 2.112 0.020 . 2 . . . . 91 PRO HG3 . 18130 1 1082 . 1 1 91 91 PRO HD2 H 1 3.790 0.020 . 2 . . . . 91 PRO HD2 . 18130 1 1083 . 1 1 91 91 PRO HD3 H 1 3.697 0.020 . 2 . . . . 91 PRO HD3 . 18130 1 1084 . 1 1 91 91 PRO C C 13 177.274 0.3 . 1 . . . . 91 PRO C . 18130 1 1085 . 1 1 91 91 PRO CA C 13 62.293 0.3 . 1 . . . . 91 PRO CA . 18130 1 1086 . 1 1 91 91 PRO CB C 13 31.112 0.3 . 1 . . . . 91 PRO CB . 18130 1 1087 . 1 1 91 91 PRO CG C 13 26.797 0.3 . 1 . . . . 91 PRO CG . 18130 1 1088 . 1 1 91 91 PRO CD C 13 49.748 0.3 . 1 . . . . 91 PRO CD . 18130 1 1089 . 1 1 92 92 GLY H H 1 9.065 0.020 . 1 . . . . 92 GLY H . 18130 1 1090 . 1 1 92 92 GLY HA2 H 1 4.272 0.020 . 2 . . . . 92 GLY HA2 . 18130 1 1091 . 1 1 92 92 GLY HA3 H 1 3.815 0.020 . 2 . . . . 92 GLY HA3 . 18130 1 1092 . 1 1 92 92 GLY C C 13 173.234 0.3 . 1 . . . . 92 GLY C . 18130 1 1093 . 1 1 92 92 GLY CA C 13 44.235 0.3 . 1 . . . . 92 GLY CA . 18130 1 1094 . 1 1 92 92 GLY N N 15 107.351 0.3 . 1 . . . . 92 GLY N . 18130 1 1095 . 1 1 93 93 SER H H 1 7.452 0.020 . 1 . . . . 93 SER H . 18130 1 1096 . 1 1 93 93 SER HA H 1 4.670 0.020 . 1 . . . . 93 SER HA . 18130 1 1097 . 1 1 93 93 SER HB2 H 1 4.035 0.020 . 1 . . . . 93 SER HB2 . 18130 1 1098 . 1 1 93 93 SER HB3 H 1 4.035 0.020 . 1 . . . . 93 SER HB3 . 18130 1 1099 . 1 1 93 93 SER C C 13 173.133 0.3 . 1 . . . . 93 SER C . 18130 1 1100 . 1 1 93 93 SER CA C 13 56.015 0.3 . 1 . . . . 93 SER CA . 18130 1 1101 . 1 1 93 93 SER CB C 13 64.869 0.3 . 1 . . . . 93 SER CB . 18130 1 1102 . 1 1 93 93 SER N N 15 110.040 0.3 . 1 . . . . 93 SER N . 18130 1 1103 . 1 1 94 94 ALA H H 1 9.393 0.020 . 1 . . . . 94 ALA H . 18130 1 1104 . 1 1 94 94 ALA HA H 1 3.987 0.020 . 1 . . . . 94 ALA HA . 18130 1 1105 . 1 1 94 94 ALA HB1 H 1 1.477 0.020 . 1 . . . . 94 ALA HB . 18130 1 1106 . 1 1 94 94 ALA HB2 H 1 1.477 0.020 . 1 . . . . 94 ALA HB . 18130 1 1107 . 1 1 94 94 ALA HB3 H 1 1.477 0.020 . 1 . . . . 94 ALA HB . 18130 1 1108 . 1 1 94 94 ALA C C 13 179.579 0.3 . 1 . . . . 94 ALA C . 18130 1 1109 . 1 1 94 94 ALA CA C 13 54.829 0.3 . 1 . . . . 94 ALA CA . 18130 1 1110 . 1 1 94 94 ALA CB C 13 17.118 0.3 . 1 . . . . 94 ALA CB . 18130 1 1111 . 1 1 94 94 ALA N N 15 123.909 0.3 . 1 . . . . 94 ALA N . 18130 1 1112 . 1 1 95 95 SER H H 1 8.418 0.020 . 1 . . . . 95 SER H . 18130 1 1113 . 1 1 95 95 SER HA H 1 4.277 0.020 . 1 . . . . 95 SER HA . 18130 1 1114 . 1 1 95 95 SER HB2 H 1 3.986 0.020 . 1 . . . . 95 SER HB2 . 18130 1 1115 . 1 1 95 95 SER HB3 H 1 3.986 0.020 . 1 . . . . 95 SER HB3 . 18130 1 1116 . 1 1 95 95 SER C C 13 176.000 0.3 . 1 . . . . 95 SER C . 18130 1 1117 . 1 1 95 95 SER CA C 13 60.996 0.3 . 1 . . . . 95 SER CA . 18130 1 1118 . 1 1 95 95 SER CB C 13 61.707 0.3 . 1 . . . . 95 SER CB . 18130 1 1119 . 1 1 95 95 SER N N 15 112.901 0.3 . 1 . . . . 95 SER N . 18130 1 1120 . 1 1 96 96 VAL H H 1 7.125 0.020 . 1 . . . . 96 VAL H . 18130 1 1121 . 1 1 96 96 VAL HA H 1 4.036 0.020 . 1 . . . . 96 VAL HA . 18130 1 1122 . 1 1 96 96 VAL HB H 1 2.191 0.020 . 1 . . . . 96 VAL HB . 18130 1 1123 . 1 1 96 96 VAL HG11 H 1 1.203 0.020 . 1 . . . . 96 VAL HG1 . 18130 1 1124 . 1 1 96 96 VAL HG12 H 1 1.203 0.020 . 1 . . . . 96 VAL HG1 . 18130 1 1125 . 1 1 96 96 VAL HG13 H 1 1.203 0.020 . 1 . . . . 96 VAL HG1 . 18130 1 1126 . 1 1 96 96 VAL HG21 H 1 1.162 0.020 . 1 . . . . 96 VAL HG2 . 18130 1 1127 . 1 1 96 96 VAL HG22 H 1 1.162 0.020 . 1 . . . . 96 VAL HG2 . 18130 1 1128 . 1 1 96 96 VAL HG23 H 1 1.162 0.020 . 1 . . . . 96 VAL HG2 . 18130 1 1129 . 1 1 96 96 VAL C C 13 178.599 0.3 . 1 . . . . 96 VAL C . 18130 1 1130 . 1 1 96 96 VAL CA C 13 64.553 0.3 . 1 . . . . 96 VAL CA . 18130 1 1131 . 1 1 96 96 VAL CB C 13 31.112 0.3 . 1 . . . . 96 VAL CB . 18130 1 1132 . 1 1 96 96 VAL CG1 C 13 21.345 0.3 . 1 . . . . 96 VAL CG1 . 18130 1 1133 . 1 1 96 96 VAL CG2 C 13 20.599 0.3 . 1 . . . . 96 VAL CG2 . 18130 1 1134 . 1 1 96 96 VAL N N 15 117.982 0.3 . 1 . . . . 96 VAL N . 18130 1 1135 . 1 1 97 97 LEU H H 1 6.887 0.020 . 1 . . . . 97 LEU H . 18130 1 1136 . 1 1 97 97 LEU HA H 1 4.136 0.020 . 1 . . . . 97 LEU HA . 18130 1 1137 . 1 1 97 97 LEU HB2 H 1 2.200 0.020 . 2 . . . . 97 LEU HB2 . 18130 1 1138 . 1 1 97 97 LEU HB3 H 1 1.312 0.020 . 2 . . . . 97 LEU HB3 . 18130 1 1139 . 1 1 97 97 LEU HG H 1 0.964 0.020 . 1 . . . . 97 LEU HG . 18130 1 1140 . 1 1 97 97 LEU HD11 H 1 0.628 0.020 . 1 . . . . 97 LEU HD1 . 18130 1 1141 . 1 1 97 97 LEU HD12 H 1 0.628 0.020 . 1 . . . . 97 LEU HD1 . 18130 1 1142 . 1 1 97 97 LEU HD13 H 1 0.628 0.020 . 1 . . . . 97 LEU HD1 . 18130 1 1143 . 1 1 97 97 LEU HD21 H 1 0.350 0.020 . 1 . . . . 97 LEU HD2 . 18130 1 1144 . 1 1 97 97 LEU HD22 H 1 0.350 0.020 . 1 . . . . 97 LEU HD2 . 18130 1 1145 . 1 1 97 97 LEU HD23 H 1 0.350 0.020 . 1 . . . . 97 LEU HD2 . 18130 1 1146 . 1 1 97 97 LEU C C 13 177.388 0.3 . 1 . . . . 97 LEU C . 18130 1 1147 . 1 1 97 97 LEU CA C 13 56.885 0.3 . 1 . . . . 97 LEU CA . 18130 1 1148 . 1 1 97 97 LEU CB C 13 42.733 0.3 . 1 . . . . 97 LEU CB . 18130 1 1149 . 1 1 97 97 LEU CG C 13 26.495 0.3 . 1 . . . . 97 LEU CG . 18130 1 1150 . 1 1 97 97 LEU CD1 C 13 24.662 0.3 . 1 . . . . 97 LEU CD1 . 18130 1 1151 . 1 1 97 97 LEU CD2 C 13 21.770 0.3 . 1 . . . . 97 LEU CD2 . 18130 1 1152 . 1 1 97 97 LEU N N 15 118.997 0.3 . 1 . . . . 97 LEU N . 18130 1 1153 . 1 1 98 98 GLU H H 1 8.733 0.020 . 1 . . . . 98 GLU H . 18130 1 1154 . 1 1 98 98 GLU HA H 1 3.811 0.020 . 1 . . . . 98 GLU HA . 18130 1 1155 . 1 1 98 98 GLU HB2 H 1 2.197 0.020 . 1 . . . . 98 GLU HB2 . 18130 1 1156 . 1 1 98 98 GLU HB3 H 1 2.197 0.020 . 1 . . . . 98 GLU HB3 . 18130 1 1157 . 1 1 98 98 GLU HG2 H 1 2.433 0.020 . 2 . . . . 98 GLU HG2 . 18130 1 1158 . 1 1 98 98 GLU HG3 H 1 2.327 0.020 . 2 . . . . 98 GLU HG3 . 18130 1 1159 . 1 1 98 98 GLU C C 13 177.124 0.3 . 1 . . . . 98 GLU C . 18130 1 1160 . 1 1 98 98 GLU CA C 13 59.889 0.3 . 1 . . . . 98 GLU CA . 18130 1 1161 . 1 1 98 98 GLU CB C 13 28.977 0.3 . 1 . . . . 98 GLU CB . 18130 1 1162 . 1 1 98 98 GLU CG C 13 35.804 0.3 . 1 . . . . 98 GLU CG . 18130 1 1163 . 1 1 98 98 GLU CD C 13 183.170 0.3 . 1 . . . . 98 GLU CD . 18130 1 1164 . 1 1 98 98 GLU N N 15 121.595 0.3 . 1 . . . . 98 GLU N . 18130 1 1165 . 1 1 99 99 GLU H H 1 7.887 0.020 . 1 . . . . 99 GLU H . 18130 1 1166 . 1 1 99 99 GLU HA H 1 3.928 0.020 . 1 . . . . 99 GLU HA . 18130 1 1167 . 1 1 99 99 GLU HB2 H 1 2.014 0.020 . 2 . . . . 99 GLU HB2 . 18130 1 1168 . 1 1 99 99 GLU HB3 H 1 1.953 0.020 . 2 . . . . 99 GLU HB3 . 18130 1 1169 . 1 1 99 99 GLU HG2 H 1 2.421 0.020 . 2 . . . . 99 GLU HG2 . 18130 1 1170 . 1 1 99 99 GLU HG3 H 1 2.192 0.020 . 2 . . . . 99 GLU HG3 . 18130 1 1171 . 1 1 99 99 GLU C C 13 177.994 0.3 . 1 . . . . 99 GLU C . 18130 1 1172 . 1 1 99 99 GLU CA C 13 58.703 0.3 . 1 . . . . 99 GLU CA . 18130 1 1173 . 1 1 99 99 GLU CB C 13 29.056 0.3 . 1 . . . . 99 GLU CB . 18130 1 1174 . 1 1 99 99 GLU CG C 13 35.709 0.3 . 1 . . . . 99 GLU CG . 18130 1 1175 . 1 1 99 99 GLU CD C 13 183.157 0.3 . 1 . . . . 99 GLU CD . 18130 1 1176 . 1 1 99 99 GLU N N 15 115.930 0.3 . 1 . . . . 99 GLU N . 18130 1 1177 . 1 1 100 100 ALA H H 1 6.698 0.020 . 1 . . . . 100 ALA H . 18130 1 1178 . 1 1 100 100 ALA HA H 1 3.587 0.020 . 1 . . . . 100 ALA HA . 18130 1 1179 . 1 1 100 100 ALA HB1 H 1 0.201 0.020 . 1 . . . . 100 ALA HB . 18130 1 1180 . 1 1 100 100 ALA HB2 H 1 0.201 0.020 . 1 . . . . 100 ALA HB . 18130 1 1181 . 1 1 100 100 ALA HB3 H 1 0.201 0.020 . 1 . . . . 100 ALA HB . 18130 1 1182 . 1 1 100 100 ALA C C 13 178.380 0.3 . 1 . . . . 100 ALA C . 18130 1 1183 . 1 1 100 100 ALA CA C 13 54.039 0.3 . 1 . . . . 100 ALA CA . 18130 1 1184 . 1 1 100 100 ALA CB C 13 17.514 0.3 . 1 . . . . 100 ALA CB . 18130 1 1185 . 1 1 100 100 ALA N N 15 121.857 0.3 . 1 . . . . 100 ALA N . 18130 1 1186 . 1 1 101 101 PHE H H 1 8.050 0.020 . 1 . . . . 101 PHE H . 18130 1 1187 . 1 1 101 101 PHE HA H 1 3.459 0.020 . 1 . . . . 101 PHE HA . 18130 1 1188 . 1 1 101 101 PHE HB2 H 1 2.400 0.020 . 2 . . . . 101 PHE HB2 . 18130 1 1189 . 1 1 101 101 PHE HB3 H 1 1.340 0.020 . 2 . . . . 101 PHE HB3 . 18130 1 1190 . 1 1 101 101 PHE HD1 H 1 6.822 0.020 . 1 . . . . 101 PHE HD1 . 18130 1 1191 . 1 1 101 101 PHE HD2 H 1 6.822 0.020 . 1 . . . . 101 PHE HD2 . 18130 1 1192 . 1 1 101 101 PHE HE1 H 1 6.556 0.020 . 1 . . . . 101 PHE HE1 . 18130 1 1193 . 1 1 101 101 PHE HE2 H 1 6.556 0.020 . 1 . . . . 101 PHE HE2 . 18130 1 1194 . 1 1 101 101 PHE HZ H 1 5.654 0.020 . 1 . . . . 101 PHE HZ . 18130 1 1195 . 1 1 101 101 PHE C C 13 178.100 0.3 . 1 . . . . 101 PHE C . 18130 1 1196 . 1 1 101 101 PHE CA C 13 62.688 0.3 . 1 . . . . 101 PHE CA . 18130 1 1197 . 1 1 101 101 PHE CB C 13 37.120 0.3 . 1 . . . . 101 PHE CB . 18130 1 1198 . 1 1 101 101 PHE CD1 C 13 131.972 0.3 . 1 . . . . 101 PHE CD1 . 18130 1 1199 . 1 1 101 101 PHE CE1 C 13 128.979 0.3 . 1 . . . . 101 PHE CE1 . 18130 1 1200 . 1 1 101 101 PHE CZ C 13 128.632 0.3 . 1 . . . . 101 PHE CZ . 18130 1 1201 . 1 1 101 101 PHE N N 15 117.992 0.3 . 1 . . . . 101 PHE N . 18130 1 1202 . 1 1 102 102 GLU H H 1 8.326 0.020 . 1 . . . . 102 GLU H . 18130 1 1203 . 1 1 102 102 GLU HA H 1 3.941 0.020 . 1 . . . . 102 GLU HA . 18130 1 1204 . 1 1 102 102 GLU HB2 H 1 2.017 0.020 . 2 . . . . 102 GLU HB2 . 18130 1 1205 . 1 1 102 102 GLU HB3 H 1 1.958 0.020 . 2 . . . . 102 GLU HB3 . 18130 1 1206 . 1 1 102 102 GLU HG2 H 1 2.227 0.020 . 2 . . . . 102 GLU HG2 . 18130 1 1207 . 1 1 102 102 GLU HG3 H 1 2.184 0.020 . 2 . . . . 102 GLU HG3 . 18130 1 1208 . 1 1 102 102 GLU C C 13 179.426 0.3 . 1 . . . . 102 GLU C . 18130 1 1209 . 1 1 102 102 GLU CA C 13 58.747 0.3 . 1 . . . . 102 GLU CA . 18130 1 1210 . 1 1 102 102 GLU CB C 13 28.721 0.3 . 1 . . . . 102 GLU CB . 18130 1 1211 . 1 1 102 102 GLU CG C 13 35.705 0.3 . 1 . . . . 102 GLU CG . 18130 1 1212 . 1 1 102 102 GLU CD C 13 183.742 0.3 . 1 . . . . 102 GLU CD . 18130 1 1213 . 1 1 102 102 GLU N N 15 117.094 0.3 . 1 . . . . 102 GLU N . 18130 1 1214 . 1 1 103 103 SER H H 1 7.679 0.020 . 1 . . . . 103 SER H . 18130 1 1215 . 1 1 103 103 SER HA H 1 4.162 0.020 . 1 . . . . 103 SER HA . 18130 1 1216 . 1 1 103 103 SER HB2 H 1 3.760 0.020 . 2 . . . . 103 SER HB2 . 18130 1 1217 . 1 1 103 103 SER HB3 H 1 3.724 0.020 . 2 . . . . 103 SER HB3 . 18130 1 1218 . 1 1 103 103 SER C C 13 175.148 0.3 . 1 . . . . 103 SER C . 18130 1 1219 . 1 1 103 103 SER CA C 13 60.838 0.3 . 1 . . . . 103 SER CA . 18130 1 1220 . 1 1 103 103 SER CB C 13 62.261 0.3 . 1 . . . . 103 SER CB . 18130 1 1221 . 1 1 103 103 SER N N 15 115.465 0.3 . 1 . . . . 103 SER N . 18130 1 1222 . 1 1 104 104 LEU H H 1 7.808 0.020 . 1 . . . . 104 LEU H . 18130 1 1223 . 1 1 104 104 LEU HA H 1 4.150 0.020 . 1 . . . . 104 LEU HA . 18130 1 1224 . 1 1 104 104 LEU HB2 H 1 2.122 0.020 . 2 . . . . 104 LEU HB2 . 18130 1 1225 . 1 1 104 104 LEU HB3 H 1 1.477 0.020 . 2 . . . . 104 LEU HB3 . 18130 1 1226 . 1 1 104 104 LEU HG H 1 1.498 0.020 . 1 . . . . 104 LEU HG . 18130 1 1227 . 1 1 104 104 LEU HD11 H 1 0.963 0.020 . 1 . . . . 104 LEU HD1 . 18130 1 1228 . 1 1 104 104 LEU HD12 H 1 0.963 0.020 . 1 . . . . 104 LEU HD1 . 18130 1 1229 . 1 1 104 104 LEU HD13 H 1 0.963 0.020 . 1 . . . . 104 LEU HD1 . 18130 1 1230 . 1 1 104 104 LEU HD21 H 1 0.854 0.020 . 1 . . . . 104 LEU HD2 . 18130 1 1231 . 1 1 104 104 LEU HD22 H 1 0.854 0.020 . 1 . . . . 104 LEU HD2 . 18130 1 1232 . 1 1 104 104 LEU HD23 H 1 0.854 0.020 . 1 . . . . 104 LEU HD2 . 18130 1 1233 . 1 1 104 104 LEU C C 13 177.521 0.3 . 1 . . . . 104 LEU C . 18130 1 1234 . 1 1 104 104 LEU CA C 13 57.201 0.3 . 1 . . . . 104 LEU CA . 18130 1 1235 . 1 1 104 104 LEU CB C 13 41.593 0.3 . 1 . . . . 104 LEU CB . 18130 1 1236 . 1 1 104 104 LEU CG C 13 26.217 0.3 . 1 . . . . 104 LEU CG . 18130 1 1237 . 1 1 104 104 LEU CD1 C 13 23.949 0.3 . 1 . . . . 104 LEU CD1 . 18130 1 1238 . 1 1 104 104 LEU CD2 C 13 22.151 0.3 . 1 . . . . 104 LEU CD2 . 18130 1 1239 . 1 1 104 104 LEU N N 15 120.636 0.3 . 1 . . . . 104 LEU N . 18130 1 1240 . 1 1 105 105 VAL H H 1 8.133 0.020 . 1 . . . . 105 VAL H . 18130 1 1241 . 1 1 105 105 VAL HA H 1 4.300 0.020 . 1 . . . . 105 VAL HA . 18130 1 1242 . 1 1 105 105 VAL HB H 1 2.494 0.020 . 1 . . . . 105 VAL HB . 18130 1 1243 . 1 1 105 105 VAL HG11 H 1 1.039 0.020 . 1 . . . . 105 VAL HG1 . 18130 1 1244 . 1 1 105 105 VAL HG12 H 1 1.039 0.020 . 1 . . . . 105 VAL HG1 . 18130 1 1245 . 1 1 105 105 VAL HG13 H 1 1.039 0.020 . 1 . . . . 105 VAL HG1 . 18130 1 1246 . 1 1 105 105 VAL HG21 H 1 1.113 0.020 . 1 . . . . 105 VAL HG2 . 18130 1 1247 . 1 1 105 105 VAL HG22 H 1 1.113 0.020 . 1 . . . . 105 VAL HG2 . 18130 1 1248 . 1 1 105 105 VAL HG23 H 1 1.113 0.020 . 1 . . . . 105 VAL HG2 . 18130 1 1249 . 1 1 105 105 VAL C C 13 176.702 0.3 . 1 . . . . 105 VAL C . 18130 1 1250 . 1 1 105 105 VAL CA C 13 62.182 0.3 . 1 . . . . 105 VAL CA . 18130 1 1251 . 1 1 105 105 VAL CB C 13 31.823 0.3 . 1 . . . . 105 VAL CB . 18130 1 1252 . 1 1 105 105 VAL CG1 C 13 21.231 0.3 . 1 . . . . 105 VAL CG1 . 18130 1 1253 . 1 1 105 105 VAL CG2 C 13 19.215 0.3 . 1 . . . . 105 VAL CG2 . 18130 1 1254 . 1 1 105 105 VAL N N 15 110.821 0.3 . 1 . . . . 105 VAL N . 18130 1 1255 . 1 1 106 106 GLY H H 1 8.072 0.020 . 1 . . . . 106 GLY H . 18130 1 1256 . 1 1 106 106 GLY HA2 H 1 4.088 0.020 . 1 . . . . 106 GLY HA2 . 18130 1 1257 . 1 1 106 106 GLY HA3 H 1 4.088 0.020 . 1 . . . . 106 GLY HA3 . 18130 1 1258 . 1 1 106 106 GLY C C 13 173.637 0.3 . 1 . . . . 106 GLY C . 18130 1 1259 . 1 1 106 106 GLY CA C 13 44.947 0.3 . 1 . . . . 106 GLY CA . 18130 1 1260 . 1 1 106 106 GLY N N 15 110.527 0.3 . 1 . . . . 106 GLY N . 18130 1 1261 . 1 1 107 107 GLU H H 1 8.413 0.020 . 1 . . . . 107 GLU H . 18130 1 1262 . 1 1 107 107 GLU HA H 1 4.302 0.020 . 1 . . . . 107 GLU HA . 18130 1 1263 . 1 1 107 107 GLU HB2 H 1 2.105 0.020 . 2 . . . . 107 GLU HB2 . 18130 1 1264 . 1 1 107 107 GLU HB3 H 1 1.998 0.020 . 2 . . . . 107 GLU HB3 . 18130 1 1265 . 1 1 107 107 GLU HG2 H 1 2.316 0.020 . 1 . . . . 107 GLU HG2 . 18130 1 1266 . 1 1 107 107 GLU HG3 H 1 2.316 0.020 . 1 . . . . 107 GLU HG3 . 18130 1 1267 . 1 1 107 107 GLU C C 13 176.826 0.3 . 1 . . . . 107 GLU C . 18130 1 1268 . 1 1 107 107 GLU CA C 13 56.252 0.3 . 1 . . . . 107 GLU CA . 18130 1 1269 . 1 1 107 107 GLU CB C 13 29.371 0.3 . 1 . . . . 107 GLU CB . 18130 1 1270 . 1 1 107 107 GLU CG C 13 35.569 0.3 . 1 . . . . 107 GLU CG . 18130 1 1271 . 1 1 107 107 GLU CD C 13 184.480 0.3 . 1 . . . . 107 GLU CD . 18130 1 1272 . 1 1 107 107 GLU N N 15 120.059 0.3 . 1 . . . . 107 GLU N . 18130 1 1273 . 1 1 108 108 GLY H H 1 8.626 0.020 . 1 . . . . 108 GLY H . 18130 1 1274 . 1 1 108 108 GLY HA2 H 1 3.931 0.020 . 1 . . . . 108 GLY HA2 . 18130 1 1275 . 1 1 108 108 GLY HA3 H 1 3.931 0.020 . 1 . . . . 108 GLY HA3 . 18130 1 1276 . 1 1 108 108 GLY C C 13 173.865 0.3 . 1 . . . . 108 GLY C . 18130 1 1277 . 1 1 108 108 GLY CA C 13 44.634 0.3 . 1 . . . . 108 GLY CA . 18130 1 1278 . 1 1 108 108 GLY N N 15 109.286 0.3 . 1 . . . . 108 GLY N . 18130 1 1279 . 1 1 109 109 HIS H H 1 8.184 0.020 . 1 . . . . 109 HIS H . 18130 1 1280 . 1 1 109 109 HIS HA H 1 4.578 0.020 . 1 . . . . 109 HIS HA . 18130 1 1281 . 1 1 109 109 HIS HB2 H 1 3.088 0.020 . 2 . . . . 109 HIS HB2 . 18130 1 1282 . 1 1 109 109 HIS HB3 H 1 3.018 0.020 . 2 . . . . 109 HIS HB3 . 18130 1 1283 . 1 1 109 109 HIS HD2 H 1 7.083 0.020 . 1 . . . . 109 HIS HD2 . 18130 1 1284 . 1 1 109 109 HIS C C 13 173.585 0.3 . 1 . . . . 109 HIS C . 18130 1 1285 . 1 1 109 109 HIS CA C 13 55.483 0.3 . 1 . . . . 109 HIS CA . 18130 1 1286 . 1 1 109 109 HIS CB C 13 29.783 0.3 . 1 . . . . 109 HIS CB . 18130 1 1287 . 1 1 109 109 HIS N N 15 118.701 0.3 . 1 . . . . 109 HIS N . 18130 1 1288 . 1 1 110 110 HIS H H 1 8.141 0.020 . 1 . . . . 110 HIS H . 18130 1 1289 . 1 1 110 110 HIS HA H 1 4.460 0.020 . 1 . . . . 110 HIS HA . 18130 1 1290 . 1 1 110 110 HIS HB2 H 1 3.238 0.020 . 2 . . . . 110 HIS HB2 . 18130 1 1291 . 1 1 110 110 HIS HB3 H 1 3.088 0.020 . 2 . . . . 110 HIS HB3 . 18130 1 1292 . 1 1 110 110 HIS HD2 H 1 6.984 0.020 . 1 . . . . 110 HIS HD2 . 18130 1 1293 . 1 1 110 110 HIS C C 13 178.966 0.3 . 1 . . . . 110 HIS C . 18130 1 1294 . 1 1 110 110 HIS CA C 13 56.626 0.3 . 1 . . . . 110 HIS CA . 18130 1 1295 . 1 1 110 110 HIS CB C 13 29.714 0.3 . 1 . . . . 110 HIS CB . 18130 1 1296 . 1 1 110 110 HIS N N 15 125.473 0.3 . 1 . . . . 110 HIS N . 18130 1 stop_ save_