data_19991 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19991 _Entry.Title ; NMR assignement of salt stabilised Yeast Frataxin YFH1. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-05-28 _Entry.Accession_date 2014-05-28 _Entry.Last_release_date 2015-10-22 _Entry.Original_release_date 2015-10-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Chemical Shift assignment of yeast frataxin stabilised by NaCl.' _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 Bartolome Vilanova . . . 19991 2 Domenico Sanfelice . . . 19991 3 Gabriel Martorell . . . 19991 4 Annalisa Pastore . . . 19991 5 Piero Temussi . A. . 19991 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19991 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 486 19991 '15N chemical shifts' 110 19991 '1H chemical shifts' 752 19991 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-10-22 . original BMRB . 19991 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17068 . 19991 BMRB 17641 . 19991 BMRB 6356 . 19991 PDB 2fql . 19991 PDB 2ga5 . 19991 PDB 3oeq . 19991 PDB 3oer . 19991 PDB 4ec2 . 19991 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19991 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25988154 _Citation.Full_citation . _Citation.Title ; Trapping a salt-dependent unfolding intermediate of the marginally stable protein Yfh1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Front. Mol. Biosci.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2014 _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 Bartolome Vilanova . . . 19991 1 2 Domenico Sanfelice . . . 19991 1 3 Gabriel Martorell . . . 19991 1 4 Piero Temussi . A. . 19991 1 5 Annalisa Pastore . . . 19991 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19991 _Assembly.ID 1 _Assembly.Name 'iron-sulphur cluster' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'yeast frataxin' 1 $Yeast_Frataxin_Yfh1 A . no native no no . . . 19991 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Yeast_Frataxin_Yfh1 _Entity.Sf_category entity _Entity.Sf_framecode Yeast_Frataxin_Yfh1 _Entity.Entry_ID 19991 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Yeast_Frataxin_Yfh1 _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 ; MESSTDGQVVPQEVLNLPLE KYHEEADDYLDHLLDSLEEL SEAHPDCIPDVELSHGVMTL EIPAFGTYVINKQPPNKQIW LASPLSGPNRFDLLNGEWVS LRNGTKLTDILTEEVEKAIS KSQ ; _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 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment Yfh1 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13783.4 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17068 . Yeast_frataxin_(Yfh1) . . . . . 100.00 123 100.00 100.00 6.11e-83 . . . . 19991 1 2 no BMRB 17641 . Yfh1 . . . . . 100.00 123 100.00 100.00 6.11e-83 . . . . 19991 1 3 no PDB 2FQL . "Crystal Structure Of Trimeric Frataxin From The Yeast Saccharomyces Cerevisiae" . . . . . 100.00 123 98.37 99.19 4.87e-81 . . . . 19991 1 4 no PDB 2GA5 . "Yeast Frataxin" . . . . . 100.00 123 100.00 100.00 6.11e-83 . . . . 19991 1 5 no PDB 3OEQ . "Crystal Structure Of Trimeric Frataxin From The Yeast Saccharomyces Cerevisiae, With Full Length N-Terminus" . . . . . 100.00 123 98.37 99.19 4.87e-81 . . . . 19991 1 6 no PDB 3OER . "Crystal Structure Of Trimeric Frataxin From The Yeast Saccharomyces Cerevisiae, Complexed With Cobalt" . . . . . 100.00 123 98.37 99.19 4.87e-81 . . . . 19991 1 7 no PDB 4EC2 . "Crystal Structure Of Trimeric Frataxin From The Yeast Saccharomyces Cerevisiae, Complexed With Ferrous" . . . . . 100.00 123 98.37 99.19 4.87e-81 . . . . 19991 1 8 no DBJ GAA22128 . "K7_Yfh1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 19991 1 9 no EMBL CAA98688 . "YFH1 [Saccharomyces cerevisiae]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 19991 1 10 no EMBL CAY78388 . "Yfh1p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 19991 1 11 no GB AAS56486 . "YDL120W [Saccharomyces cerevisiae]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 19991 1 12 no GB AHY74893 . "Yfh1p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 19991 1 13 no GB AJP37633 . "Yfh1p [Saccharomyces cerevisiae YJM1078]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 19991 1 14 no GB AJU57746 . "Yfh1p [Saccharomyces cerevisiae YJM189]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 19991 1 15 no GB AJU58449 . "Yfh1p [Saccharomyces cerevisiae YJM193]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 19991 1 16 no REF NP_010163 . "ferroxidase [Saccharomyces cerevisiae S288c]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 19991 1 17 no SP Q07540 . "RecName: Full=Frataxin homolog, mitochondrial; Contains: RecName: Full=Frataxin homolog intermediate form; Flags: Precursor" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 19991 1 18 no TPG DAA11740 . "TPA: ferroxidase [Saccharomyces cerevisiae S288c]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 19991 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 1 MET . 19991 1 2 2 GLU . 19991 1 3 3 SER . 19991 1 4 4 SER . 19991 1 5 5 THR . 19991 1 6 6 ASP . 19991 1 7 7 GLY . 19991 1 8 8 GLN . 19991 1 9 9 VAL . 19991 1 10 10 VAL . 19991 1 11 11 PRO . 19991 1 12 12 GLN . 19991 1 13 13 GLU . 19991 1 14 14 VAL . 19991 1 15 15 LEU . 19991 1 16 16 ASN . 19991 1 17 17 LEU . 19991 1 18 18 PRO . 19991 1 19 19 LEU . 19991 1 20 20 GLU . 19991 1 21 21 LYS . 19991 1 22 22 TYR . 19991 1 23 23 HIS . 19991 1 24 24 GLU . 19991 1 25 25 GLU . 19991 1 26 26 ALA . 19991 1 27 27 ASP . 19991 1 28 28 ASP . 19991 1 29 29 TYR . 19991 1 30 30 LEU . 19991 1 31 31 ASP . 19991 1 32 32 HIS . 19991 1 33 33 LEU . 19991 1 34 34 LEU . 19991 1 35 35 ASP . 19991 1 36 36 SER . 19991 1 37 37 LEU . 19991 1 38 38 GLU . 19991 1 39 39 GLU . 19991 1 40 40 LEU . 19991 1 41 41 SER . 19991 1 42 42 GLU . 19991 1 43 43 ALA . 19991 1 44 44 HIS . 19991 1 45 45 PRO . 19991 1 46 46 ASP . 19991 1 47 47 CYS . 19991 1 48 48 ILE . 19991 1 49 49 PRO . 19991 1 50 50 ASP . 19991 1 51 51 VAL . 19991 1 52 52 GLU . 19991 1 53 53 LEU . 19991 1 54 54 SER . 19991 1 55 55 HIS . 19991 1 56 56 GLY . 19991 1 57 57 VAL . 19991 1 58 58 MET . 19991 1 59 59 THR . 19991 1 60 60 LEU . 19991 1 61 61 GLU . 19991 1 62 62 ILE . 19991 1 63 63 PRO . 19991 1 64 64 ALA . 19991 1 65 65 PHE . 19991 1 66 66 GLY . 19991 1 67 67 THR . 19991 1 68 68 TYR . 19991 1 69 69 VAL . 19991 1 70 70 ILE . 19991 1 71 71 ASN . 19991 1 72 72 LYS . 19991 1 73 73 GLN . 19991 1 74 74 PRO . 19991 1 75 75 PRO . 19991 1 76 76 ASN . 19991 1 77 77 LYS . 19991 1 78 78 GLN . 19991 1 79 79 ILE . 19991 1 80 80 TRP . 19991 1 81 81 LEU . 19991 1 82 82 ALA . 19991 1 83 83 SER . 19991 1 84 84 PRO . 19991 1 85 85 LEU . 19991 1 86 86 SER . 19991 1 87 87 GLY . 19991 1 88 88 PRO . 19991 1 89 89 ASN . 19991 1 90 90 ARG . 19991 1 91 91 PHE . 19991 1 92 92 ASP . 19991 1 93 93 LEU . 19991 1 94 94 LEU . 19991 1 95 95 ASN . 19991 1 96 96 GLY . 19991 1 97 97 GLU . 19991 1 98 98 TRP . 19991 1 99 99 VAL . 19991 1 100 100 SER . 19991 1 101 101 LEU . 19991 1 102 102 ARG . 19991 1 103 103 ASN . 19991 1 104 104 GLY . 19991 1 105 105 THR . 19991 1 106 106 LYS . 19991 1 107 107 LEU . 19991 1 108 108 THR . 19991 1 109 109 ASP . 19991 1 110 110 ILE . 19991 1 111 111 LEU . 19991 1 112 112 THR . 19991 1 113 113 GLU . 19991 1 114 114 GLU . 19991 1 115 115 VAL . 19991 1 116 116 GLU . 19991 1 117 117 LYS . 19991 1 118 118 ALA . 19991 1 119 119 ILE . 19991 1 120 120 SER . 19991 1 121 121 LYS . 19991 1 122 122 SER . 19991 1 123 123 GLN . 19991 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 19991 1 . GLU 2 2 19991 1 . SER 3 3 19991 1 . SER 4 4 19991 1 . THR 5 5 19991 1 . ASP 6 6 19991 1 . GLY 7 7 19991 1 . GLN 8 8 19991 1 . VAL 9 9 19991 1 . VAL 10 10 19991 1 . PRO 11 11 19991 1 . GLN 12 12 19991 1 . GLU 13 13 19991 1 . VAL 14 14 19991 1 . LEU 15 15 19991 1 . ASN 16 16 19991 1 . LEU 17 17 19991 1 . PRO 18 18 19991 1 . LEU 19 19 19991 1 . GLU 20 20 19991 1 . LYS 21 21 19991 1 . TYR 22 22 19991 1 . HIS 23 23 19991 1 . GLU 24 24 19991 1 . GLU 25 25 19991 1 . ALA 26 26 19991 1 . ASP 27 27 19991 1 . ASP 28 28 19991 1 . TYR 29 29 19991 1 . LEU 30 30 19991 1 . ASP 31 31 19991 1 . HIS 32 32 19991 1 . LEU 33 33 19991 1 . LEU 34 34 19991 1 . ASP 35 35 19991 1 . SER 36 36 19991 1 . LEU 37 37 19991 1 . GLU 38 38 19991 1 . GLU 39 39 19991 1 . LEU 40 40 19991 1 . SER 41 41 19991 1 . GLU 42 42 19991 1 . ALA 43 43 19991 1 . HIS 44 44 19991 1 . PRO 45 45 19991 1 . ASP 46 46 19991 1 . CYS 47 47 19991 1 . ILE 48 48 19991 1 . PRO 49 49 19991 1 . ASP 50 50 19991 1 . VAL 51 51 19991 1 . GLU 52 52 19991 1 . LEU 53 53 19991 1 . SER 54 54 19991 1 . HIS 55 55 19991 1 . GLY 56 56 19991 1 . VAL 57 57 19991 1 . MET 58 58 19991 1 . THR 59 59 19991 1 . LEU 60 60 19991 1 . GLU 61 61 19991 1 . ILE 62 62 19991 1 . PRO 63 63 19991 1 . ALA 64 64 19991 1 . PHE 65 65 19991 1 . GLY 66 66 19991 1 . THR 67 67 19991 1 . TYR 68 68 19991 1 . VAL 69 69 19991 1 . ILE 70 70 19991 1 . ASN 71 71 19991 1 . LYS 72 72 19991 1 . GLN 73 73 19991 1 . PRO 74 74 19991 1 . PRO 75 75 19991 1 . ASN 76 76 19991 1 . LYS 77 77 19991 1 . GLN 78 78 19991 1 . ILE 79 79 19991 1 . TRP 80 80 19991 1 . LEU 81 81 19991 1 . ALA 82 82 19991 1 . SER 83 83 19991 1 . PRO 84 84 19991 1 . LEU 85 85 19991 1 . SER 86 86 19991 1 . GLY 87 87 19991 1 . PRO 88 88 19991 1 . ASN 89 89 19991 1 . ARG 90 90 19991 1 . PHE 91 91 19991 1 . ASP 92 92 19991 1 . LEU 93 93 19991 1 . LEU 94 94 19991 1 . ASN 95 95 19991 1 . GLY 96 96 19991 1 . GLU 97 97 19991 1 . TRP 98 98 19991 1 . VAL 99 99 19991 1 . SER 100 100 19991 1 . LEU 101 101 19991 1 . ARG 102 102 19991 1 . ASN 103 103 19991 1 . GLY 104 104 19991 1 . THR 105 105 19991 1 . LYS 106 106 19991 1 . LEU 107 107 19991 1 . THR 108 108 19991 1 . ASP 109 109 19991 1 . ILE 110 110 19991 1 . LEU 111 111 19991 1 . THR 112 112 19991 1 . GLU 113 113 19991 1 . GLU 114 114 19991 1 . VAL 115 115 19991 1 . GLU 116 116 19991 1 . LYS 117 117 19991 1 . ALA 118 118 19991 1 . ILE 119 119 19991 1 . SER 120 120 19991 1 . LYS 121 121 19991 1 . SER 122 122 19991 1 . GLN 123 123 19991 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 19991 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Yeast_Frataxin_Yfh1 . 562 plasmid . 'Escherichia coli' 'E. Coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 19991 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 19991 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Yeast_Frataxin_Yfh1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pet . . . 19991 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19991 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM Yfh1 20 mM HEPES, 100 mM NaCl, 2mM TCEP, pH 7.0' _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 'Yeast Frataxin, Yfh1' '[U-98% 13C; U-98% 15N]' . . 1 $Yeast_Frataxin_Yfh1 . . 1 . . mM 0.1 . . . 19991 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 19991 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 19991 1 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 19991 1 5 Yfh1 'natural abundance' . . . . . . 1 . . mM . . . . 19991 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19991 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19991 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 19991 _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' 0.1 . M 19991 1 pH 7 . pH 19991 1 pressure 1 . atm 19991 1 temperature 298.2 . K 19991 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 19991 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 19991 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19991 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 19991 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19991 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19991 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19991 _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 . . . 19991 1 2 spectrometer_2 Bruker Avance . 700 . . . 19991 1 3 spectrometer_3 Bruker Avance . 800 . . . 19991 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 19991 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19991 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19991 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19991 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19991 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19991 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19991 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19991 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19991 1 9 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19991 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19991 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19991 _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 acetate protons . . . . ppm 4.7 internal direct . . . . . . . . . . 19991 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . . . . . 19991 1 N 15 water protons . . . . ppm 4.7 internal direct . . . . . . . . . . 19991 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 19991 _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 3 '3D HNCO' . . . 19991 1 5 '3D HNCACB' . . . 19991 1 6 '3D CBCA(CO)NH' . . . 19991 1 10 '3D HCCH-TOCSY' . . . 19991 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XEASY . . 19991 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 1 1 MET CA C 13 56.439 0.03 . 1 . . . . 1 MET CA . 19991 1 2 . 1 1 1 1 MET CB C 13 29.750 0.03 . 1 . . . . 1 MET CB . 19991 1 3 . 1 1 2 2 GLU H H 1 8.494 0.02 . 1 . . . . 2 GLU H . 19991 1 4 . 1 1 2 2 GLU HA H 1 4.271 0.02 . 1 . . . . 2 GLU HA . 19991 1 5 . 1 1 2 2 GLU HB2 H 1 2.137 0.02 . 1 . . . . 2 GLU HB2 . 19991 1 6 . 1 1 2 2 GLU HB3 H 1 2.137 0.02 . 1 . . . . 2 GLU HB3 . 19991 1 7 . 1 1 2 2 GLU HG2 H 1 2.387 0.02 . 1 . . . . 2 GLU HG2 . 19991 1 8 . 1 1 2 2 GLU HG3 H 1 2.387 0.02 . 1 . . . . 2 GLU HG3 . 19991 1 9 . 1 1 2 2 GLU C C 13 176.161 0.03 . 1 . . . . 2 GLU C . 19991 1 10 . 1 1 2 2 GLU CA C 13 56.587 0.03 . 1 . . . . 2 GLU CA . 19991 1 11 . 1 1 2 2 GLU CB C 13 30.173 0.03 . 1 . . . . 2 GLU CB . 19991 1 12 . 1 1 2 2 GLU CG C 13 36.057 0.03 . 1 . . . . 2 GLU CG . 19991 1 13 . 1 1 2 2 GLU N N 15 123.372 0.03 . 1 . . . . 2 GLU N . 19991 1 14 . 1 1 3 3 SER H H 1 8.512 0.02 . 1 . . . . 3 SER H . 19991 1 15 . 1 1 3 3 SER HA H 1 4.582 0.02 . 1 . . . . 3 SER HA . 19991 1 16 . 1 1 3 3 SER HB2 H 1 4.034 0.02 . 2 . . . . 3 SER HB2 . 19991 1 17 . 1 1 3 3 SER HB3 H 1 3.964 0.02 . 2 . . . . 3 SER HB3 . 19991 1 18 . 1 1 3 3 SER CA C 13 58.217 0.03 . 1 . . . . 3 SER CA . 19991 1 19 . 1 1 3 3 SER CB C 13 63.911 0.03 . 1 . . . . 3 SER CB . 19991 1 20 . 1 1 3 3 SER N N 15 118.451 0.03 . 1 . . . . 3 SER N . 19991 1 21 . 1 1 4 4 SER H H 1 8.471 0.02 . 1 . . . . 4 SER H . 19991 1 22 . 1 1 4 4 SER HA H 1 4.530 0.02 . 1 . . . . 4 SER HA . 19991 1 23 . 1 1 4 4 SER HB2 H 1 3.962 0.02 . 1 . . . . 4 SER HB2 . 19991 1 24 . 1 1 4 4 SER HB3 H 1 3.962 0.02 . 1 . . . . 4 SER HB3 . 19991 1 25 . 1 1 4 4 SER CA C 13 58.271 0.03 . 1 . . . . 4 SER CA . 19991 1 26 . 1 1 4 4 SER CB C 13 63.895 0.03 . 1 . . . . 4 SER CB . 19991 1 27 . 1 1 4 4 SER N N 15 119.213 0.03 . 1 . . . . 4 SER N . 19991 1 28 . 1 1 5 5 THR H H 1 8.281 0.02 . 1 . . . . 5 THR H . 19991 1 29 . 1 1 5 5 THR HA H 1 4.398 0.02 . 1 . . . . 5 THR HA . 19991 1 30 . 1 1 5 5 THR HB H 1 4.391 0.02 . 1 . . . . 5 THR HB . 19991 1 31 . 1 1 5 5 THR HG21 H 1 1.278 0.02 . 1 . . . . 5 THR HG2 . 19991 1 32 . 1 1 5 5 THR HG22 H 1 1.278 0.02 . 1 . . . . 5 THR HG2 . 19991 1 33 . 1 1 5 5 THR HG23 H 1 1.278 0.02 . 1 . . . . 5 THR HG2 . 19991 1 34 . 1 1 5 5 THR C C 13 174.657 0.03 . 1 . . . . 5 THR C . 19991 1 35 . 1 1 5 5 THR CA C 13 61.911 0.03 . 1 . . . . 5 THR CA . 19991 1 36 . 1 1 5 5 THR CB C 13 69.538 0.03 . 1 . . . . 5 THR CB . 19991 1 37 . 1 1 5 5 THR CG2 C 13 21.551 0.03 . 1 . . . . 5 THR CG2 . 19991 1 38 . 1 1 5 5 THR N N 15 116.420 0.03 . 1 . . . . 5 THR N . 19991 1 39 . 1 1 6 6 ASP H H 1 8.251 0.02 . 1 . . . . 6 ASP H . 19991 1 40 . 1 1 6 6 ASP HA H 1 4.570 0.02 . 1 . . . . 6 ASP HA . 19991 1 41 . 1 1 6 6 ASP HB2 H 1 2.792 0.02 . 2 . . . . 6 ASP HB2 . 19991 1 42 . 1 1 6 6 ASP HB3 H 1 2.760 0.02 . 2 . . . . 6 ASP HB3 . 19991 1 43 . 1 1 6 6 ASP C C 13 176.791 0.03 . 1 . . . . 6 ASP C . 19991 1 44 . 1 1 6 6 ASP CA C 13 54.674 0.03 . 1 . . . . 6 ASP CA . 19991 1 45 . 1 1 6 6 ASP CB C 13 41.079 0.03 . 1 . . . . 6 ASP CB . 19991 1 46 . 1 1 6 6 ASP N N 15 123.732 0.03 . 1 . . . . 6 ASP N . 19991 1 47 . 1 1 7 7 GLY H H 1 8.325 0.02 . 1 . . . . 7 GLY H . 19991 1 48 . 1 1 7 7 GLY HA2 H 1 3.935 0.02 . 1 . . . . 7 GLY HA2 . 19991 1 49 . 1 1 7 7 GLY HA3 H 1 3.935 0.02 . 1 . . . . 7 GLY HA3 . 19991 1 50 . 1 1 7 7 GLY C C 13 174.200 0.03 . 1 . . . . 7 GLY C . 19991 1 51 . 1 1 7 7 GLY CA C 13 45.489 0.03 . 1 . . . . 7 GLY CA . 19991 1 52 . 1 1 7 7 GLY N N 15 110.409 0.03 . 1 . . . . 7 GLY N . 19991 1 53 . 1 1 8 8 GLN H H 1 8.089 0.02 . 1 . . . . 8 GLN H . 19991 1 54 . 1 1 8 8 GLN HA H 1 4.364 0.02 . 1 . . . . 8 GLN HA . 19991 1 55 . 1 1 8 8 GLN HB2 H 1 2.161 0.02 . 2 . . . . 8 GLN HB2 . 19991 1 56 . 1 1 8 8 GLN HB3 H 1 2.083 0.02 . 2 . . . . 8 GLN HB3 . 19991 1 57 . 1 1 8 8 GLN HG2 H 1 2.386 0.02 . 2 . . . . 8 GLN HG2 . 19991 1 58 . 1 1 8 8 GLN HG3 H 1 2.388 0.02 . 2 . . . . 8 GLN HG3 . 19991 1 59 . 1 1 8 8 GLN C C 13 175.841 0.03 . 1 . . . . 8 GLN C . 19991 1 60 . 1 1 8 8 GLN CA C 13 55.673 0.03 . 1 . . . . 8 GLN CA . 19991 1 61 . 1 1 8 8 GLN CB C 13 29.484 0.03 . 1 . . . . 8 GLN CB . 19991 1 62 . 1 1 8 8 GLN CG C 13 33.877 0.03 . 1 . . . . 8 GLN CG . 19991 1 63 . 1 1 8 8 GLN N N 15 121.080 0.03 . 1 . . . . 8 GLN N . 19991 1 64 . 1 1 9 9 VAL H H 1 8.229 0.02 . 1 . . . . 9 VAL H . 19991 1 65 . 1 1 9 9 VAL HA H 1 4.117 0.02 . 1 . . . . 9 VAL HA . 19991 1 66 . 1 1 9 9 VAL HB H 1 2.109 0.02 . 1 . . . . 9 VAL HB . 19991 1 67 . 1 1 9 9 VAL HG11 H 1 1.024 0.02 . 2 . . . . 9 VAL HG1 . 19991 1 68 . 1 1 9 9 VAL HG12 H 1 1.024 0.02 . 2 . . . . 9 VAL HG1 . 19991 1 69 . 1 1 9 9 VAL HG13 H 1 1.024 0.02 . 2 . . . . 9 VAL HG1 . 19991 1 70 . 1 1 9 9 VAL HG21 H 1 0.976 0.02 . 2 . . . . 9 VAL HG2 . 19991 1 71 . 1 1 9 9 VAL HG22 H 1 0.976 0.02 . 2 . . . . 9 VAL HG2 . 19991 1 72 . 1 1 9 9 VAL HG23 H 1 0.976 0.02 . 2 . . . . 9 VAL HG2 . 19991 1 73 . 1 1 9 9 VAL C C 13 175.955 0.03 . 1 . . . . 9 VAL C . 19991 1 74 . 1 1 9 9 VAL CA C 13 62.351 0.03 . 1 . . . . 9 VAL CA . 19991 1 75 . 1 1 9 9 VAL CB C 13 32.581 0.03 . 1 . . . . 9 VAL CB . 19991 1 76 . 1 1 9 9 VAL CG1 C 13 21.182 0.03 . 1 . . . . 9 VAL CG1 . 19991 1 77 . 1 1 9 9 VAL CG2 C 13 20.770 0.03 . 1 . . . . 9 VAL CG2 . 19991 1 78 . 1 1 9 9 VAL N N 15 123.764 0.03 . 1 . . . . 9 VAL N . 19991 1 79 . 1 1 10 10 VAL H H 1 8.268 0.02 . 1 . . . . 10 VAL H . 19991 1 80 . 1 1 10 10 VAL HA H 1 4.392 0.02 . 1 . . . . 10 VAL HA . 19991 1 81 . 1 1 10 10 VAL HB H 1 2.093 0.02 . 1 . . . . 10 VAL HB . 19991 1 82 . 1 1 10 10 VAL HG11 H 1 1.077 0.02 . 2 . . . . 10 VAL HG1 . 19991 1 83 . 1 1 10 10 VAL HG12 H 1 1.077 0.02 . 2 . . . . 10 VAL HG1 . 19991 1 84 . 1 1 10 10 VAL HG13 H 1 1.077 0.02 . 2 . . . . 10 VAL HG1 . 19991 1 85 . 1 1 10 10 VAL HG21 H 1 1.035 0.02 . 2 . . . . 10 VAL HG2 . 19991 1 86 . 1 1 10 10 VAL HG22 H 1 1.035 0.02 . 2 . . . . 10 VAL HG2 . 19991 1 87 . 1 1 10 10 VAL HG23 H 1 1.035 0.02 . 2 . . . . 10 VAL HG2 . 19991 1 88 . 1 1 10 10 VAL C C 13 174.068 0.03 . 1 . . . . 10 VAL C . 19991 1 89 . 1 1 10 10 VAL CA C 13 59.885 0.03 . 1 . . . . 10 VAL CA . 19991 1 90 . 1 1 10 10 VAL CB C 13 32.907 0.03 . 1 . . . . 10 VAL CB . 19991 1 91 . 1 1 10 10 VAL CG1 C 13 21.144 0.03 . 1 . . . . 10 VAL CG1 . 19991 1 92 . 1 1 10 10 VAL CG2 C 13 20.717 0.03 . 1 . . . . 10 VAL CG2 . 19991 1 93 . 1 1 10 10 VAL N N 15 128.102 0.03 . 1 . . . . 10 VAL N . 19991 1 94 . 1 1 11 11 PRO HA H 1 4.476 0.02 . 1 . . . . 11 PRO HA . 19991 1 95 . 1 1 11 11 PRO HB2 H 1 2.576 0.02 . 2 . . . . 11 PRO HB2 . 19991 1 96 . 1 1 11 11 PRO HB3 H 1 2.021 0.02 . 2 . . . . 11 PRO HB3 . 19991 1 97 . 1 1 11 11 PRO HG2 H 1 2.166 0.02 . 2 . . . . 11 PRO HG2 . 19991 1 98 . 1 1 11 11 PRO HG3 H 1 2.126 0.02 . 2 . . . . 11 PRO HG3 . 19991 1 99 . 1 1 11 11 PRO HD2 H 1 3.653 0.02 . 2 . . . . 11 PRO HD2 . 19991 1 100 . 1 1 11 11 PRO HD3 H 1 4.126 0.02 . 2 . . . . 11 PRO HD3 . 19991 1 101 . 1 1 11 11 PRO C C 13 177.505 0.03 . 1 . . . . 11 PRO C . 19991 1 102 . 1 1 11 11 PRO CA C 13 62.964 0.03 . 1 . . . . 11 PRO CA . 19991 1 103 . 1 1 11 11 PRO CB C 13 32.592 0.03 . 1 . . . . 11 PRO CB . 19991 1 104 . 1 1 11 11 PRO CG C 13 27.721 0.03 . 1 . . . . 11 PRO CG . 19991 1 105 . 1 1 11 11 PRO CD C 13 51.312 0.03 . 1 . . . . 11 PRO CD . 19991 1 106 . 1 1 12 12 GLN H H 1 8.812 0.02 . 1 . . . . 12 GLN H . 19991 1 107 . 1 1 12 12 GLN HA H 1 4.008 0.02 . 1 . . . . 12 GLN HA . 19991 1 108 . 1 1 12 12 GLN HB2 H 1 2.174 0.02 . 1 . . . . 12 GLN HB2 . 19991 1 109 . 1 1 12 12 GLN HB3 H 1 2.174 0.02 . 1 . . . . 12 GLN HB3 . 19991 1 110 . 1 1 12 12 GLN HG2 H 1 2.526 0.02 . 1 . . . . 12 GLN HG2 . 19991 1 111 . 1 1 12 12 GLN HG3 H 1 2.526 0.02 . 1 . . . . 12 GLN HG3 . 19991 1 112 . 1 1 12 12 GLN C C 13 176.845 0.03 . 1 . . . . 12 GLN C . 19991 1 113 . 1 1 12 12 GLN CA C 13 58.083 0.03 . 1 . . . . 12 GLN CA . 19991 1 114 . 1 1 12 12 GLN CB C 13 28.800 0.03 . 1 . . . . 12 GLN CB . 19991 1 115 . 1 1 12 12 GLN CG C 13 33.760 0.03 . 1 . . . . 12 GLN CG . 19991 1 116 . 1 1 12 12 GLN N N 15 124.505 0.03 . 1 . . . . 12 GLN N . 19991 1 117 . 1 1 13 13 GLU H H 1 9.110 0.02 . 1 . . . . 13 GLU H . 19991 1 118 . 1 1 13 13 GLU HA H 1 4.149 0.02 . 1 . . . . 13 GLU HA . 19991 1 119 . 1 1 13 13 GLU HB2 H 1 2.106 0.02 . 1 . . . . 13 GLU HB2 . 19991 1 120 . 1 1 13 13 GLU HB3 H 1 2.106 0.02 . 1 . . . . 13 GLU HB3 . 19991 1 121 . 1 1 13 13 GLU HG2 H 1 2.411 0.02 . 1 . . . . 13 GLU HG2 . 19991 1 122 . 1 1 13 13 GLU HG3 H 1 2.411 0.02 . 1 . . . . 13 GLU HG3 . 19991 1 123 . 1 1 13 13 GLU C C 13 177.910 0.03 . 1 . . . . 13 GLU C . 19991 1 124 . 1 1 13 13 GLU CA C 13 58.632 0.03 . 1 . . . . 13 GLU CA . 19991 1 125 . 1 1 13 13 GLU CB C 13 29.722 0.03 . 1 . . . . 13 GLU CB . 19991 1 126 . 1 1 13 13 GLU CG C 13 36.712 0.03 . 1 . . . . 13 GLU CG . 19991 1 127 . 1 1 13 13 GLU N N 15 119.703 0.03 . 1 . . . . 13 GLU N . 19991 1 128 . 1 1 14 14 VAL H H 1 7.610 0.02 . 1 . . . . 14 VAL H . 19991 1 129 . 1 1 14 14 VAL HA H 1 4.022 0.02 . 1 . . . . 14 VAL HA . 19991 1 130 . 1 1 14 14 VAL HB H 1 2.211 0.02 . 1 . . . . 14 VAL HB . 19991 1 131 . 1 1 14 14 VAL HG11 H 1 1.127 0.02 . 2 . . . . 14 VAL HG1 . 19991 1 132 . 1 1 14 14 VAL HG12 H 1 1.127 0.02 . 2 . . . . 14 VAL HG1 . 19991 1 133 . 1 1 14 14 VAL HG13 H 1 1.127 0.02 . 2 . . . . 14 VAL HG1 . 19991 1 134 . 1 1 14 14 VAL HG21 H 1 1.097 0.02 . 2 . . . . 14 VAL HG2 . 19991 1 135 . 1 1 14 14 VAL HG22 H 1 1.097 0.02 . 2 . . . . 14 VAL HG2 . 19991 1 136 . 1 1 14 14 VAL HG23 H 1 1.097 0.02 . 2 . . . . 14 VAL HG2 . 19991 1 137 . 1 1 14 14 VAL C C 13 177.555 0.03 . 1 . . . . 14 VAL C . 19991 1 138 . 1 1 14 14 VAL CA C 13 64.157 0.03 . 1 . . . . 14 VAL CA . 19991 1 139 . 1 1 14 14 VAL CB C 13 32.254 0.03 . 1 . . . . 14 VAL CB . 19991 1 140 . 1 1 14 14 VAL CG1 C 13 22.018 0.03 . 1 . . . . 14 VAL CG1 . 19991 1 141 . 1 1 14 14 VAL CG2 C 13 21.387 0.03 . 1 . . . . 14 VAL CG2 . 19991 1 142 . 1 1 14 14 VAL N N 15 121.260 0.03 . 1 . . . . 14 VAL N . 19991 1 143 . 1 1 15 15 LEU H H 1 7.845 0.02 . 1 . . . . 15 LEU H . 19991 1 144 . 1 1 15 15 LEU HA H 1 4.164 0.02 . 1 . . . . 15 LEU HA . 19991 1 145 . 1 1 15 15 LEU HB2 H 1 1.794 0.02 . 2 . . . . 15 LEU HB2 . 19991 1 146 . 1 1 15 15 LEU HB3 H 1 1.641 0.02 . 2 . . . . 15 LEU HB3 . 19991 1 147 . 1 1 15 15 LEU HG H 1 1.669 0.02 . 1 . . . . 15 LEU HG . 19991 1 148 . 1 1 15 15 LEU HD11 H 1 0.994 0.02 . 2 . . . . 15 LEU HD1 . 19991 1 149 . 1 1 15 15 LEU HD12 H 1 0.994 0.02 . 2 . . . . 15 LEU HD1 . 19991 1 150 . 1 1 15 15 LEU HD13 H 1 0.994 0.02 . 2 . . . . 15 LEU HD1 . 19991 1 151 . 1 1 15 15 LEU HD21 H 1 0.959 0.02 . 2 . . . . 15 LEU HD2 . 19991 1 152 . 1 1 15 15 LEU HD22 H 1 0.959 0.02 . 2 . . . . 15 LEU HD2 . 19991 1 153 . 1 1 15 15 LEU HD23 H 1 0.959 0.02 . 2 . . . . 15 LEU HD2 . 19991 1 154 . 1 1 15 15 LEU C C 13 178.330 0.03 . 1 . . . . 15 LEU C . 19991 1 155 . 1 1 15 15 LEU CA C 13 56.870 0.03 . 1 . . . . 15 LEU CA . 19991 1 156 . 1 1 15 15 LEU CB C 13 41.950 0.03 . 1 . . . . 15 LEU CB . 19991 1 157 . 1 1 15 15 LEU CG C 13 26.798 0.03 . 1 . . . . 15 LEU CG . 19991 1 158 . 1 1 15 15 LEU CD1 C 13 25.008 0.03 . 1 . . . . 15 LEU CD1 . 19991 1 159 . 1 1 15 15 LEU CD2 C 13 23.460 0.03 . 1 . . . . 15 LEU CD2 . 19991 1 160 . 1 1 15 15 LEU N N 15 123.960 0.03 . 1 . . . . 15 LEU N . 19991 1 161 . 1 1 16 16 ASN H H 1 8.165 0.02 . 1 . . . . 16 ASN H . 19991 1 162 . 1 1 16 16 ASN HA H 1 4.642 0.02 . 1 . . . . 16 ASN HA . 19991 1 163 . 1 1 16 16 ASN HB2 H 1 2.791 0.02 . 2 . . . . 16 ASN HB2 . 19991 1 164 . 1 1 16 16 ASN HB3 H 1 2.995 0.02 . 2 . . . . 16 ASN HB3 . 19991 1 165 . 1 1 16 16 ASN C C 13 174.790 0.03 . 1 . . . . 16 ASN C . 19991 1 166 . 1 1 16 16 ASN CA C 13 52.988 0.03 . 1 . . . . 16 ASN CA . 19991 1 167 . 1 1 16 16 ASN CB C 13 38.699 0.03 . 1 . . . . 16 ASN CB . 19991 1 168 . 1 1 16 16 ASN N N 15 116.724 0.03 . 1 . . . . 16 ASN N . 19991 1 169 . 1 1 17 17 LEU H H 1 7.492 0.02 . 1 . . . . 17 LEU H . 19991 1 170 . 1 1 17 17 LEU HA H 1 4.627 0.02 . 1 . . . . 17 LEU HA . 19991 1 171 . 1 1 17 17 LEU HB2 H 1 2.066 0.02 . 1 . . . . 17 LEU HB2 . 19991 1 172 . 1 1 17 17 LEU HB3 H 1 2.066 0.02 . 1 . . . . 17 LEU HB3 . 19991 1 173 . 1 1 17 17 LEU HG H 1 1.812 0.02 . 1 . . . . 17 LEU HG . 19991 1 174 . 1 1 17 17 LEU HD11 H 1 1.258 0.02 . 2 . . . . 17 LEU HD1 . 19991 1 175 . 1 1 17 17 LEU HD12 H 1 1.258 0.02 . 2 . . . . 17 LEU HD1 . 19991 1 176 . 1 1 17 17 LEU HD13 H 1 1.258 0.02 . 2 . . . . 17 LEU HD1 . 19991 1 177 . 1 1 17 17 LEU HD21 H 1 1.076 0.02 . 2 . . . . 17 LEU HD2 . 19991 1 178 . 1 1 17 17 LEU HD22 H 1 1.076 0.02 . 2 . . . . 17 LEU HD2 . 19991 1 179 . 1 1 17 17 LEU HD23 H 1 1.076 0.02 . 2 . . . . 17 LEU HD2 . 19991 1 180 . 1 1 17 17 LEU C C 13 174.104 0.03 . 1 . . . . 17 LEU C . 19991 1 181 . 1 1 17 17 LEU CA C 13 53.128 0.03 . 1 . . . . 17 LEU CA . 19991 1 182 . 1 1 17 17 LEU CB C 13 43.043 0.03 . 1 . . . . 17 LEU CB . 19991 1 183 . 1 1 17 17 LEU CG C 13 26.876 0.03 . 1 . . . . 17 LEU CG . 19991 1 184 . 1 1 17 17 LEU CD1 C 13 26.945 0.03 . 1 . . . . 17 LEU CD1 . 19991 1 185 . 1 1 17 17 LEU CD2 C 13 24.241 0.03 . 1 . . . . 17 LEU CD2 . 19991 1 186 . 1 1 17 17 LEU N N 15 126.591 0.03 . 1 . . . . 17 LEU N . 19991 1 187 . 1 1 18 18 PRO HA H 1 4.589 0.02 . 1 . . . . 18 PRO HA . 19991 1 188 . 1 1 18 18 PRO HB2 H 1 2.713 0.02 . 1 . . . . 18 PRO HB2 . 19991 1 189 . 1 1 18 18 PRO HB3 H 1 2.713 0.02 . 1 . . . . 18 PRO HB3 . 19991 1 190 . 1 1 18 18 PRO HG2 H 1 2.293 0.02 . 2 . . . . 18 PRO HG2 . 19991 1 191 . 1 1 18 18 PRO HG3 H 1 2.181 0.02 . 2 . . . . 18 PRO HG3 . 19991 1 192 . 1 1 18 18 PRO HD2 H 1 3.699 0.02 . 1 . . . . 18 PRO HD2 . 19991 1 193 . 1 1 18 18 PRO HD3 H 1 3.699 0.02 . 1 . . . . 18 PRO HD3 . 19991 1 194 . 1 1 18 18 PRO C C 13 178.115 0.03 . 1 . . . . 18 PRO C . 19991 1 195 . 1 1 18 18 PRO CA C 13 62.852 0.03 . 1 . . . . 18 PRO CA . 19991 1 196 . 1 1 18 18 PRO CB C 13 32.904 0.03 . 1 . . . . 18 PRO CB . 19991 1 197 . 1 1 18 18 PRO CG C 13 28.211 0.03 . 1 . . . . 18 PRO CG . 19991 1 198 . 1 1 18 18 PRO CD C 13 51.496 0.03 . 1 . . . . 18 PRO CD . 19991 1 199 . 1 1 19 19 LEU H H 1 9.030 0.02 . 1 . . . . 19 LEU H . 19991 1 200 . 1 1 19 19 LEU HA H 1 4.072 0.02 . 1 . . . . 19 LEU HA . 19991 1 201 . 1 1 19 19 LEU HB2 H 1 2.008 0.02 . 2 . . . . 19 LEU HB2 . 19991 1 202 . 1 1 19 19 LEU HB3 H 1 1.862 0.02 . 2 . . . . 19 LEU HB3 . 19991 1 203 . 1 1 19 19 LEU HG H 1 1.947 0.02 . 1 . . . . 19 LEU HG . 19991 1 204 . 1 1 19 19 LEU HD11 H 1 1.117 0.02 . 2 . . . . 19 LEU HD1 . 19991 1 205 . 1 1 19 19 LEU HD12 H 1 1.117 0.02 . 2 . . . . 19 LEU HD1 . 19991 1 206 . 1 1 19 19 LEU HD13 H 1 1.117 0.02 . 2 . . . . 19 LEU HD1 . 19991 1 207 . 1 1 19 19 LEU HD21 H 1 1.064 0.02 . 2 . . . . 19 LEU HD2 . 19991 1 208 . 1 1 19 19 LEU HD22 H 1 1.064 0.02 . 2 . . . . 19 LEU HD2 . 19991 1 209 . 1 1 19 19 LEU HD23 H 1 1.064 0.02 . 2 . . . . 19 LEU HD2 . 19991 1 210 . 1 1 19 19 LEU C C 13 178.075 0.03 . 1 . . . . 19 LEU C . 19991 1 211 . 1 1 19 19 LEU CA C 13 58.440 0.03 . 1 . . . . 19 LEU CA . 19991 1 212 . 1 1 19 19 LEU CB C 13 42.164 0.03 . 1 . . . . 19 LEU CB . 19991 1 213 . 1 1 19 19 LEU CG C 13 27.233 0.03 . 1 . . . . 19 LEU CG . 19991 1 214 . 1 1 19 19 LEU CD1 C 13 25.231 0.03 . 1 . . . . 19 LEU CD1 . 19991 1 215 . 1 1 19 19 LEU CD2 C 13 23.846 0.03 . 1 . . . . 19 LEU CD2 . 19991 1 216 . 1 1 19 19 LEU N N 15 127.745 0.03 . 1 . . . . 19 LEU N . 19991 1 217 . 1 1 20 20 GLU H H 1 9.561 0.02 . 1 . . . . 20 GLU H . 19991 1 218 . 1 1 20 20 GLU HA H 1 4.318 0.02 . 1 . . . . 20 GLU HA . 19991 1 219 . 1 1 20 20 GLU HB2 H 1 2.216 0.02 . 1 . . . . 20 GLU HB2 . 19991 1 220 . 1 1 20 20 GLU HB3 H 1 2.216 0.02 . 1 . . . . 20 GLU HB3 . 19991 1 221 . 1 1 20 20 GLU HG2 H 1 2.545 0.02 . 2 . . . . 20 GLU HG2 . 19991 1 222 . 1 1 20 20 GLU HG3 H 1 2.522 0.02 . 2 . . . . 20 GLU HG3 . 19991 1 223 . 1 1 20 20 GLU C C 13 179.041 0.03 . 1 . . . . 20 GLU C . 19991 1 224 . 1 1 20 20 GLU CA C 13 60.306 0.03 . 1 . . . . 20 GLU CA . 19991 1 225 . 1 1 20 20 GLU CB C 13 28.631 0.03 . 1 . . . . 20 GLU CB . 19991 1 226 . 1 1 20 20 GLU CG C 13 36.447 0.03 . 1 . . . . 20 GLU CG . 19991 1 227 . 1 1 20 20 GLU N N 15 117.444 0.03 . 1 . . . . 20 GLU N . 19991 1 228 . 1 1 21 21 LYS H H 1 6.984 0.02 . 1 . . . . 21 LYS H . 19991 1 229 . 1 1 21 21 LYS HA H 1 4.395 0.02 . 1 . . . . 21 LYS HA . 19991 1 230 . 1 1 21 21 LYS HB2 H 1 2.091 0.02 . 2 . . . . 21 LYS HB2 . 19991 1 231 . 1 1 21 21 LYS HB3 H 1 2.129 0.02 . 2 . . . . 21 LYS HB3 . 19991 1 232 . 1 1 21 21 LYS HG2 H 1 1.623 0.02 . 1 . . . . 21 LYS HG2 . 19991 1 233 . 1 1 21 21 LYS HG3 H 1 1.623 0.02 . 1 . . . . 21 LYS HG3 . 19991 1 234 . 1 1 21 21 LYS HD2 H 1 1.945 0.02 . 2 . . . . 21 LYS HD2 . 19991 1 235 . 1 1 21 21 LYS HD3 H 1 1.831 0.02 . 2 . . . . 21 LYS HD3 . 19991 1 236 . 1 1 21 21 LYS HE2 H 1 3.062 0.02 . 1 . . . . 21 LYS HE2 . 19991 1 237 . 1 1 21 21 LYS HE3 H 1 3.062 0.02 . 1 . . . . 21 LYS HE3 . 19991 1 238 . 1 1 21 21 LYS C C 13 177.705 0.03 . 1 . . . . 21 LYS C . 19991 1 239 . 1 1 21 21 LYS CA C 13 57.461 0.03 . 1 . . . . 21 LYS CA . 19991 1 240 . 1 1 21 21 LYS CB C 13 32.122 0.03 . 1 . . . . 21 LYS CB . 19991 1 241 . 1 1 21 21 LYS CG C 13 24.767 0.03 . 1 . . . . 21 LYS CG . 19991 1 242 . 1 1 21 21 LYS CD C 13 28.350 0.03 . 1 . . . . 21 LYS CD . 19991 1 243 . 1 1 21 21 LYS CE C 13 41.784 0.03 . 1 . . . . 21 LYS CE . 19991 1 244 . 1 1 21 21 LYS N N 15 121.375 0.03 . 1 . . . . 21 LYS N . 19991 1 245 . 1 1 22 22 TYR H H 1 8.242 0.02 . 1 . . . . 22 TYR H . 19991 1 246 . 1 1 22 22 TYR HA H 1 4.059 0.02 . 1 . . . . 22 TYR HA . 19991 1 247 . 1 1 22 22 TYR HB2 H 1 3.488 0.02 . 2 . . . . 22 TYR HB2 . 19991 1 248 . 1 1 22 22 TYR HB3 H 1 3.109 0.02 . 2 . . . . 22 TYR HB3 . 19991 1 249 . 1 1 22 22 TYR C C 13 175.787 0.03 . 1 . . . . 22 TYR C . 19991 1 250 . 1 1 22 22 TYR CA C 13 61.882 0.03 . 1 . . . . 22 TYR CA . 19991 1 251 . 1 1 22 22 TYR CB C 13 36.361 0.03 . 1 . . . . 22 TYR CB . 19991 1 252 . 1 1 22 22 TYR N N 15 120.440 0.03 . 1 . . . . 22 TYR N . 19991 1 253 . 1 1 23 23 HIS H H 1 8.326 0.02 . 1 . . . . 23 HIS H . 19991 1 254 . 1 1 23 23 HIS HA H 1 3.579 0.02 . 1 . . . . 23 HIS HA . 19991 1 255 . 1 1 23 23 HIS HB2 H 1 3.166 0.02 . 2 . . . . 23 HIS HB2 . 19991 1 256 . 1 1 23 23 HIS HB3 H 1 3.076 0.02 . 2 . . . . 23 HIS HB3 . 19991 1 257 . 1 1 23 23 HIS C C 13 177.014 0.03 . 1 . . . . 23 HIS C . 19991 1 258 . 1 1 23 23 HIS CA C 13 61.666 0.03 . 1 . . . . 23 HIS CA . 19991 1 259 . 1 1 23 23 HIS CB C 13 31.112 0.03 . 1 . . . . 23 HIS CB . 19991 1 260 . 1 1 23 23 HIS N N 15 119.163 0.03 . 1 . . . . 23 HIS N . 19991 1 261 . 1 1 24 24 GLU H H 1 7.546 0.02 . 1 . . . . 24 GLU H . 19991 1 262 . 1 1 24 24 GLU HA H 1 4.081 0.02 . 1 . . . . 24 GLU HA . 19991 1 263 . 1 1 24 24 GLU HB2 H 1 2.360 0.02 . 2 . . . . 24 GLU HB2 . 19991 1 264 . 1 1 24 24 GLU HB3 H 1 2.299 0.02 . 2 . . . . 24 GLU HB3 . 19991 1 265 . 1 1 24 24 GLU HG2 H 1 2.598 0.02 . 1 . . . . 24 GLU HG2 . 19991 1 266 . 1 1 24 24 GLU HG3 H 1 2.598 0.02 . 1 . . . . 24 GLU HG3 . 19991 1 267 . 1 1 24 24 GLU C C 13 179.659 0.03 . 1 . . . . 24 GLU C . 19991 1 268 . 1 1 24 24 GLU CA C 13 59.533 0.03 . 1 . . . . 24 GLU CA . 19991 1 269 . 1 1 24 24 GLU CB C 13 30.096 0.03 . 1 . . . . 24 GLU CB . 19991 1 270 . 1 1 24 24 GLU CG C 13 35.776 0.03 . 1 . . . . 24 GLU CG . 19991 1 271 . 1 1 24 24 GLU N N 15 118.672 0.03 . 1 . . . . 24 GLU N . 19991 1 272 . 1 1 25 25 GLU H H 1 8.475 0.02 . 1 . . . . 25 GLU H . 19991 1 273 . 1 1 25 25 GLU HA H 1 4.301 0.02 . 1 . . . . 25 GLU HA . 19991 1 274 . 1 1 25 25 GLU HB2 H 1 2.291 0.02 . 2 . . . . 25 GLU HB2 . 19991 1 275 . 1 1 25 25 GLU HB3 H 1 2.422 0.02 . 2 . . . . 25 GLU HB3 . 19991 1 276 . 1 1 25 25 GLU HG2 H 1 2.623 0.02 . 1 . . . . 25 GLU HG2 . 19991 1 277 . 1 1 25 25 GLU HG3 H 1 2.623 0.02 . 1 . . . . 25 GLU HG3 . 19991 1 278 . 1 1 25 25 GLU C C 13 180.073 0.03 . 1 . . . . 25 GLU C . 19991 1 279 . 1 1 25 25 GLU CA C 13 58.925 0.03 . 1 . . . . 25 GLU CA . 19991 1 280 . 1 1 25 25 GLU CB C 13 29.746 0.03 . 1 . . . . 25 GLU CB . 19991 1 281 . 1 1 25 25 GLU CG C 13 35.688 0.03 . 1 . . . . 25 GLU CG . 19991 1 282 . 1 1 25 25 GLU N N 15 118.803 0.03 . 1 . . . . 25 GLU N . 19991 1 283 . 1 1 26 26 ALA H H 1 9.186 0.02 . 1 . . . . 26 ALA H . 19991 1 284 . 1 1 26 26 ALA HA H 1 3.897 0.02 . 1 . . . . 26 ALA HA . 19991 1 285 . 1 1 26 26 ALA HB1 H 1 0.927 0.02 . 1 . . . . 26 ALA HB . 19991 1 286 . 1 1 26 26 ALA HB2 H 1 0.927 0.02 . 1 . . . . 26 ALA HB . 19991 1 287 . 1 1 26 26 ALA HB3 H 1 0.927 0.02 . 1 . . . . 26 ALA HB . 19991 1 288 . 1 1 26 26 ALA C C 13 178.516 0.03 . 1 . . . . 26 ALA C . 19991 1 289 . 1 1 26 26 ALA CA C 13 55.392 0.03 . 1 . . . . 26 ALA CA . 19991 1 290 . 1 1 26 26 ALA CB C 13 17.835 0.03 . 1 . . . . 26 ALA CB . 19991 1 291 . 1 1 26 26 ALA N N 15 125.023 0.03 . 1 . . . . 26 ALA N . 19991 1 292 . 1 1 27 27 ASP H H 1 8.687 0.02 . 1 . . . . 27 ASP H . 19991 1 293 . 1 1 27 27 ASP HA H 1 4.267 0.02 . 1 . . . . 27 ASP HA . 19991 1 294 . 1 1 27 27 ASP HB2 H 1 2.718 0.02 . 2 . . . . 27 ASP HB2 . 19991 1 295 . 1 1 27 27 ASP HB3 H 1 2.893 0.02 . 2 . . . . 27 ASP HB3 . 19991 1 296 . 1 1 27 27 ASP C C 13 179.211 0.03 . 1 . . . . 27 ASP C . 19991 1 297 . 1 1 27 27 ASP CA C 13 57.454 0.03 . 1 . . . . 27 ASP CA . 19991 1 298 . 1 1 27 27 ASP CB C 13 38.910 0.03 . 1 . . . . 27 ASP CB . 19991 1 299 . 1 1 27 27 ASP N N 15 119.507 0.03 . 1 . . . . 27 ASP N . 19991 1 300 . 1 1 28 28 ASP H H 1 7.932 0.02 . 1 . . . . 28 ASP H . 19991 1 301 . 1 1 28 28 ASP HA H 1 4.413 0.02 . 1 . . . . 28 ASP HA . 19991 1 302 . 1 1 28 28 ASP HB2 H 1 2.874 0.02 . 2 . . . . 28 ASP HB2 . 19991 1 303 . 1 1 28 28 ASP HB3 H 1 3.034 0.02 . 2 . . . . 28 ASP HB3 . 19991 1 304 . 1 1 28 28 ASP C C 13 178.674 0.03 . 1 . . . . 28 ASP C . 19991 1 305 . 1 1 28 28 ASP CA C 13 57.653 0.03 . 1 . . . . 28 ASP CA . 19991 1 306 . 1 1 28 28 ASP CB C 13 41.655 0.03 . 1 . . . . 28 ASP CB . 19991 1 307 . 1 1 28 28 ASP N N 15 121.570 0.03 . 1 . . . . 28 ASP N . 19991 1 308 . 1 1 29 29 TYR H H 1 8.278 0.02 . 1 . . . . 29 TYR H . 19991 1 309 . 1 1 29 29 TYR HA H 1 4.197 0.02 . 1 . . . . 29 TYR HA . 19991 1 310 . 1 1 29 29 TYR HB2 H 1 2.988 0.02 . 2 . . . . 29 TYR HB2 . 19991 1 311 . 1 1 29 29 TYR HB3 H 1 3.565 0.02 . 2 . . . . 29 TYR HB3 . 19991 1 312 . 1 1 29 29 TYR C C 13 176.624 0.03 . 1 . . . . 29 TYR C . 19991 1 313 . 1 1 29 29 TYR CA C 13 62.262 0.03 . 1 . . . . 29 TYR CA . 19991 1 314 . 1 1 29 29 TYR CB C 13 38.600 0.03 . 1 . . . . 29 TYR CB . 19991 1 315 . 1 1 29 29 TYR N N 15 122.306 0.03 . 1 . . . . 29 TYR N . 19991 1 316 . 1 1 30 30 LEU H H 1 8.598 0.02 . 1 . . . . 30 LEU H . 19991 1 317 . 1 1 30 30 LEU HA H 1 3.747 0.02 . 1 . . . . 30 LEU HA . 19991 1 318 . 1 1 30 30 LEU HB2 H 1 2.069 0.02 . 1 . . . . 30 LEU HB2 . 19991 1 319 . 1 1 30 30 LEU HB3 H 1 2.069 0.02 . 1 . . . . 30 LEU HB3 . 19991 1 320 . 1 1 30 30 LEU HG H 1 1.955 0.02 . 1 . . . . 30 LEU HG . 19991 1 321 . 1 1 30 30 LEU HD11 H 1 0.800 0.02 . 2 . . . . 30 LEU HD1 . 19991 1 322 . 1 1 30 30 LEU HD12 H 1 0.800 0.02 . 2 . . . . 30 LEU HD1 . 19991 1 323 . 1 1 30 30 LEU HD13 H 1 0.800 0.02 . 2 . . . . 30 LEU HD1 . 19991 1 324 . 1 1 30 30 LEU HD21 H 1 0.786 0.02 . 2 . . . . 30 LEU HD2 . 19991 1 325 . 1 1 30 30 LEU HD22 H 1 0.786 0.02 . 2 . . . . 30 LEU HD2 . 19991 1 326 . 1 1 30 30 LEU HD23 H 1 0.786 0.02 . 2 . . . . 30 LEU HD2 . 19991 1 327 . 1 1 30 30 LEU C C 13 178.225 0.03 . 1 . . . . 30 LEU C . 19991 1 328 . 1 1 30 30 LEU CA C 13 58.064 0.03 . 1 . . . . 30 LEU CA . 19991 1 329 . 1 1 30 30 LEU CB C 13 40.793 0.03 . 1 . . . . 30 LEU CB . 19991 1 330 . 1 1 30 30 LEU CG C 13 27.150 0.03 . 1 . . . . 30 LEU CG . 19991 1 331 . 1 1 30 30 LEU CD1 C 13 25.428 0.03 . 1 . . . . 30 LEU CD1 . 19991 1 332 . 1 1 30 30 LEU CD2 C 13 22.782 0.03 . 1 . . . . 30 LEU CD2 . 19991 1 333 . 1 1 30 30 LEU N N 15 120.735 0.03 . 1 . . . . 30 LEU N . 19991 1 334 . 1 1 31 31 ASP H H 1 8.058 0.02 . 1 . . . . 31 ASP H . 19991 1 335 . 1 1 31 31 ASP HA H 1 4.216 0.02 . 1 . . . . 31 ASP HA . 19991 1 336 . 1 1 31 31 ASP HB2 H 1 2.237 0.02 . 1 . . . . 31 ASP HB2 . 19991 1 337 . 1 1 31 31 ASP HB3 H 1 2.237 0.02 . 1 . . . . 31 ASP HB3 . 19991 1 338 . 1 1 31 31 ASP C C 13 179.045 0.03 . 1 . . . . 31 ASP C . 19991 1 339 . 1 1 31 31 ASP CA C 13 57.510 0.03 . 1 . . . . 31 ASP CA . 19991 1 340 . 1 1 31 31 ASP CB C 13 40.773 0.03 . 1 . . . . 31 ASP CB . 19991 1 341 . 1 1 31 31 ASP N N 15 120.882 0.03 . 1 . . . . 31 ASP N . 19991 1 342 . 1 1 32 32 HIS H H 1 7.727 0.02 . 1 . . . . 32 HIS H . 19991 1 343 . 1 1 32 32 HIS HA H 1 4.368 0.02 . 1 . . . . 32 HIS HA . 19991 1 344 . 1 1 32 32 HIS HB2 H 1 3.327 0.02 . 1 . . . . 32 HIS HB2 . 19991 1 345 . 1 1 32 32 HIS HB3 H 1 3.327 0.02 . 1 . . . . 32 HIS HB3 . 19991 1 346 . 1 1 32 32 HIS C C 13 177.663 0.03 . 1 . . . . 32 HIS C . 19991 1 347 . 1 1 32 32 HIS CA C 13 58.975 0.03 . 1 . . . . 32 HIS CA . 19991 1 348 . 1 1 32 32 HIS CB C 13 27.766 0.03 . 1 . . . . 32 HIS CB . 19991 1 349 . 1 1 32 32 HIS N N 15 118.410 0.03 . 1 . . . . 32 HIS N . 19991 1 350 . 1 1 33 33 LEU H H 1 8.454 0.02 . 1 . . . . 33 LEU H . 19991 1 351 . 1 1 33 33 LEU HA H 1 3.937 0.02 . 1 . . . . 33 LEU HA . 19991 1 352 . 1 1 33 33 LEU HB2 H 1 1.616 0.02 . 2 . . . . 33 LEU HB2 . 19991 1 353 . 1 1 33 33 LEU HB3 H 1 1.135 0.02 . 2 . . . . 33 LEU HB3 . 19991 1 354 . 1 1 33 33 LEU HG H 1 1.362 0.02 . 1 . . . . 33 LEU HG . 19991 1 355 . 1 1 33 33 LEU HD11 H 1 0.783 0.02 . 2 . . . . 33 LEU HD1 . 19991 1 356 . 1 1 33 33 LEU HD12 H 1 0.783 0.02 . 2 . . . . 33 LEU HD1 . 19991 1 357 . 1 1 33 33 LEU HD13 H 1 0.783 0.02 . 2 . . . . 33 LEU HD1 . 19991 1 358 . 1 1 33 33 LEU HD21 H 1 0.819 0.02 . 2 . . . . 33 LEU HD2 . 19991 1 359 . 1 1 33 33 LEU HD22 H 1 0.819 0.02 . 2 . . . . 33 LEU HD2 . 19991 1 360 . 1 1 33 33 LEU HD23 H 1 0.819 0.02 . 2 . . . . 33 LEU HD2 . 19991 1 361 . 1 1 33 33 LEU C C 13 178.369 0.03 . 1 . . . . 33 LEU C . 19991 1 362 . 1 1 33 33 LEU CA C 13 57.464 0.03 . 1 . . . . 33 LEU CA . 19991 1 363 . 1 1 33 33 LEU CB C 13 41.740 0.03 . 1 . . . . 33 LEU CB . 19991 1 364 . 1 1 33 33 LEU CG C 13 26.650 0.03 . 1 . . . . 33 LEU CG . 19991 1 365 . 1 1 33 33 LEU CD1 C 13 25.045 0.03 . 1 . . . . 33 LEU CD1 . 19991 1 366 . 1 1 33 33 LEU CD2 C 13 22.496 0.03 . 1 . . . . 33 LEU CD2 . 19991 1 367 . 1 1 33 33 LEU N N 15 125.128 0.03 . 1 . . . . 33 LEU N . 19991 1 368 . 1 1 34 34 LEU H H 1 8.482 0.02 . 1 . . . . 34 LEU H . 19991 1 369 . 1 1 34 34 LEU HA H 1 3.849 0.02 . 1 . . . . 34 LEU HA . 19991 1 370 . 1 1 34 34 LEU HB2 H 1 2.187 0.02 . 2 . . . . 34 LEU HB2 . 19991 1 371 . 1 1 34 34 LEU HB3 H 1 1.542 0.02 . 2 . . . . 34 LEU HB3 . 19991 1 372 . 1 1 34 34 LEU HG H 1 1.638 0.02 . 1 . . . . 34 LEU HG . 19991 1 373 . 1 1 34 34 LEU HD11 H 1 1.079 0.02 . 2 . . . . 34 LEU HD1 . 19991 1 374 . 1 1 34 34 LEU HD12 H 1 1.079 0.02 . 2 . . . . 34 LEU HD1 . 19991 1 375 . 1 1 34 34 LEU HD13 H 1 1.079 0.02 . 2 . . . . 34 LEU HD1 . 19991 1 376 . 1 1 34 34 LEU HD21 H 1 0.948 0.02 . 2 . . . . 34 LEU HD2 . 19991 1 377 . 1 1 34 34 LEU HD22 H 1 0.948 0.02 . 2 . . . . 34 LEU HD2 . 19991 1 378 . 1 1 34 34 LEU HD23 H 1 0.948 0.02 . 2 . . . . 34 LEU HD2 . 19991 1 379 . 1 1 34 34 LEU C C 13 177.996 0.03 . 1 . . . . 34 LEU C . 19991 1 380 . 1 1 34 34 LEU CA C 13 58.636 0.03 . 1 . . . . 34 LEU CA . 19991 1 381 . 1 1 34 34 LEU CB C 13 41.100 0.03 . 1 . . . . 34 LEU CB . 19991 1 382 . 1 1 34 34 LEU CG C 13 26.945 0.03 . 1 . . . . 34 LEU CG . 19991 1 383 . 1 1 34 34 LEU CD1 C 13 26.000 0.03 . 1 . . . . 34 LEU CD1 . 19991 1 384 . 1 1 34 34 LEU CD2 C 13 23.614 0.03 . 1 . . . . 34 LEU CD2 . 19991 1 385 . 1 1 34 34 LEU N N 15 121.832 0.03 . 1 . . . . 34 LEU N . 19991 1 386 . 1 1 35 35 ASP H H 1 7.461 0.02 . 1 . . . . 35 ASP H . 19991 1 387 . 1 1 35 35 ASP HA H 1 4.332 0.02 . 1 . . . . 35 ASP HA . 19991 1 388 . 1 1 35 35 ASP HB2 H 1 2.823 0.02 . 2 . . . . 35 ASP HB2 . 19991 1 389 . 1 1 35 35 ASP HB3 H 1 2.887 0.02 . 2 . . . . 35 ASP HB3 . 19991 1 390 . 1 1 35 35 ASP C C 13 179.223 0.03 . 1 . . . . 35 ASP C . 19991 1 391 . 1 1 35 35 ASP CA C 13 57.536 0.03 . 1 . . . . 35 ASP CA . 19991 1 392 . 1 1 35 35 ASP CB C 13 40.157 0.03 . 1 . . . . 35 ASP CB . 19991 1 393 . 1 1 35 35 ASP N N 15 118.885 0.03 . 1 . . . . 35 ASP N . 19991 1 394 . 1 1 36 36 SER H H 1 7.849 0.02 . 1 . . . . 36 SER H . 19991 1 395 . 1 1 36 36 SER HA H 1 4.245 0.02 . 1 . . . . 36 SER HA . 19991 1 396 . 1 1 36 36 SER HB2 H 1 4.032 0.02 . 2 . . . . 36 SER HB2 . 19991 1 397 . 1 1 36 36 SER HB3 H 1 3.973 0.02 . 2 . . . . 36 SER HB3 . 19991 1 398 . 1 1 36 36 SER C C 13 179.232 0.03 . 1 . . . . 36 SER C . 19991 1 399 . 1 1 36 36 SER CA C 13 61.682 0.03 . 1 . . . . 36 SER CA . 19991 1 400 . 1 1 36 36 SER CB C 13 62.849 0.03 . 1 . . . . 36 SER CB . 19991 1 401 . 1 1 36 36 SER N N 15 116.069 0.03 . 1 . . . . 36 SER N . 19991 1 402 . 1 1 37 37 LEU H H 1 8.660 0.02 . 1 . . . . 37 LEU H . 19991 1 403 . 1 1 37 37 LEU HA H 1 4.131 0.02 . 1 . . . . 37 LEU HA . 19991 1 404 . 1 1 37 37 LEU HB2 H 1 1.308 0.02 . 2 . . . . 37 LEU HB2 . 19991 1 405 . 1 1 37 37 LEU HB3 H 1 2.085 0.02 . 2 . . . . 37 LEU HB3 . 19991 1 406 . 1 1 37 37 LEU HG H 1 1.903 0.02 . 1 . . . . 37 LEU HG . 19991 1 407 . 1 1 37 37 LEU HD11 H 1 0.802 0.02 . 2 . . . . 37 LEU HD1 . 19991 1 408 . 1 1 37 37 LEU HD12 H 1 0.802 0.02 . 2 . . . . 37 LEU HD1 . 19991 1 409 . 1 1 37 37 LEU HD13 H 1 0.802 0.02 . 2 . . . . 37 LEU HD1 . 19991 1 410 . 1 1 37 37 LEU HD21 H 1 0.894 0.02 . 2 . . . . 37 LEU HD2 . 19991 1 411 . 1 1 37 37 LEU HD22 H 1 0.894 0.02 . 2 . . . . 37 LEU HD2 . 19991 1 412 . 1 1 37 37 LEU HD23 H 1 0.894 0.02 . 2 . . . . 37 LEU HD2 . 19991 1 413 . 1 1 37 37 LEU C C 13 179.202 0.03 . 1 . . . . 37 LEU C . 19991 1 414 . 1 1 37 37 LEU CA C 13 57.485 0.03 . 1 . . . . 37 LEU CA . 19991 1 415 . 1 1 37 37 LEU CB C 13 42.207 0.03 . 1 . . . . 37 LEU CB . 19991 1 416 . 1 1 37 37 LEU CG C 13 27.072 0.03 . 1 . . . . 37 LEU CG . 19991 1 417 . 1 1 37 37 LEU CD1 C 13 22.033 0.03 . 1 . . . . 37 LEU CD1 . 19991 1 418 . 1 1 37 37 LEU CD2 C 13 27.658 0.03 . 1 . . . . 37 LEU CD2 . 19991 1 419 . 1 1 37 37 LEU N N 15 124.385 0.03 . 1 . . . . 37 LEU N . 19991 1 420 . 1 1 38 38 GLU H H 1 9.252 0.02 . 1 . . . . 38 GLU H . 19991 1 421 . 1 1 38 38 GLU HA H 1 3.935 0.02 . 1 . . . . 38 GLU HA . 19991 1 422 . 1 1 38 38 GLU HB2 H 1 2.296 0.02 . 1 . . . . 38 GLU HB2 . 19991 1 423 . 1 1 38 38 GLU HB3 H 1 2.296 0.02 . 1 . . . . 38 GLU HB3 . 19991 1 424 . 1 1 38 38 GLU HG2 H 1 2.366 0.02 . 2 . . . . 38 GLU HG2 . 19991 1 425 . 1 1 38 38 GLU HG3 H 1 2.590 0.02 . 2 . . . . 38 GLU HG3 . 19991 1 426 . 1 1 38 38 GLU C C 13 179.659 0.03 . 1 . . . . 38 GLU C . 19991 1 427 . 1 1 38 38 GLU CA C 13 59.769 0.03 . 1 . . . . 38 GLU CA . 19991 1 428 . 1 1 38 38 GLU CB C 13 29.107 0.03 . 1 . . . . 38 GLU CB . 19991 1 429 . 1 1 38 38 GLU CG C 13 35.927 0.03 . 1 . . . . 38 GLU CG . 19991 1 430 . 1 1 38 38 GLU N N 15 122.646 0.03 . 1 . . . . 38 GLU N . 19991 1 431 . 1 1 39 39 GLU H H 1 7.579 0.02 . 1 . . . . 39 GLU H . 19991 1 432 . 1 1 39 39 GLU HA H 1 4.082 0.02 . 1 . . . . 39 GLU HA . 19991 1 433 . 1 1 39 39 GLU HB2 H 1 2.290 0.02 . 1 . . . . 39 GLU HB2 . 19991 1 434 . 1 1 39 39 GLU HB3 H 1 2.290 0.02 . 1 . . . . 39 GLU HB3 . 19991 1 435 . 1 1 39 39 GLU HG2 H 1 2.365 0.02 . 1 . . . . 39 GLU HG2 . 19991 1 436 . 1 1 39 39 GLU HG3 H 1 2.365 0.02 . 1 . . . . 39 GLU HG3 . 19991 1 437 . 1 1 39 39 GLU C C 13 179.843 0.03 . 1 . . . . 39 GLU C . 19991 1 438 . 1 1 39 39 GLU CA C 13 59.574 0.03 . 1 . . . . 39 GLU CA . 19991 1 439 . 1 1 39 39 GLU CB C 13 29.081 0.03 . 1 . . . . 39 GLU CB . 19991 1 440 . 1 1 39 39 GLU CG C 13 35.835 0.03 . 1 . . . . 39 GLU CG . 19991 1 441 . 1 1 39 39 GLU N N 15 120.847 0.03 . 1 . . . . 39 GLU N . 19991 1 442 . 1 1 40 40 LEU H H 1 7.537 0.02 . 1 . . . . 40 LEU H . 19991 1 443 . 1 1 40 40 LEU HA H 1 4.226 0.02 . 1 . . . . 40 LEU HA . 19991 1 444 . 1 1 40 40 LEU HB2 H 1 2.050 0.02 . 1 . . . . 40 LEU HB2 . 19991 1 445 . 1 1 40 40 LEU HB3 H 1 2.050 0.02 . 1 . . . . 40 LEU HB3 . 19991 1 446 . 1 1 40 40 LEU HG H 1 1.897 0.02 . 1 . . . . 40 LEU HG . 19991 1 447 . 1 1 40 40 LEU HD11 H 1 0.969 0.02 . 2 . . . . 40 LEU HD1 . 19991 1 448 . 1 1 40 40 LEU HD12 H 1 0.969 0.02 . 2 . . . . 40 LEU HD1 . 19991 1 449 . 1 1 40 40 LEU HD13 H 1 0.969 0.02 . 2 . . . . 40 LEU HD1 . 19991 1 450 . 1 1 40 40 LEU HD21 H 1 0.972 0.02 . 2 . . . . 40 LEU HD2 . 19991 1 451 . 1 1 40 40 LEU HD22 H 1 0.972 0.02 . 2 . . . . 40 LEU HD2 . 19991 1 452 . 1 1 40 40 LEU HD23 H 1 0.972 0.02 . 2 . . . . 40 LEU HD2 . 19991 1 453 . 1 1 40 40 LEU C C 13 178.628 0.03 . 1 . . . . 40 LEU C . 19991 1 454 . 1 1 40 40 LEU CA C 13 58.071 0.03 . 1 . . . . 40 LEU CA . 19991 1 455 . 1 1 40 40 LEU CB C 13 42.578 0.03 . 1 . . . . 40 LEU CB . 19991 1 456 . 1 1 40 40 LEU CG C 13 27.073 0.03 . 1 . . . . 40 LEU CG . 19991 1 457 . 1 1 40 40 LEU CD1 C 13 25.278 0.03 . 1 . . . . 40 LEU CD1 . 19991 1 458 . 1 1 40 40 LEU CD2 C 13 23.652 0.03 . 1 . . . . 40 LEU CD2 . 19991 1 459 . 1 1 40 40 LEU N N 15 121.690 0.03 . 1 . . . . 40 LEU N . 19991 1 460 . 1 1 41 41 SER H H 1 8.576 0.02 . 1 . . . . 41 SER H . 19991 1 461 . 1 1 41 41 SER HA H 1 4.236 0.02 . 1 . . . . 41 SER HA . 19991 1 462 . 1 1 41 41 SER HB2 H 1 4.067 0.02 . 1 . . . . 41 SER HB2 . 19991 1 463 . 1 1 41 41 SER HB3 H 1 4.067 0.02 . 1 . . . . 41 SER HB3 . 19991 1 464 . 1 1 41 41 SER C C 13 178.679 0.03 . 1 . . . . 41 SER C . 19991 1 465 . 1 1 41 41 SER CA C 13 60.640 0.03 . 1 . . . . 41 SER CA . 19991 1 466 . 1 1 41 41 SER CB C 13 63.813 0.03 . 1 . . . . 41 SER CB . 19991 1 467 . 1 1 41 41 SER N N 15 115.512 0.03 . 1 . . . . 41 SER N . 19991 1 468 . 1 1 42 42 GLU H H 1 7.910 0.02 . 1 . . . . 42 GLU H . 19991 1 469 . 1 1 42 42 GLU HA H 1 4.002 0.02 . 1 . . . . 42 GLU HA . 19991 1 470 . 1 1 42 42 GLU HB2 H 1 2.165 0.02 . 1 . . . . 42 GLU HB2 . 19991 1 471 . 1 1 42 42 GLU HB3 H 1 2.165 0.02 . 1 . . . . 42 GLU HB3 . 19991 1 472 . 1 1 42 42 GLU HG2 H 1 2.629 0.02 . 2 . . . . 42 GLU HG2 . 19991 1 473 . 1 1 42 42 GLU HG3 H 1 2.429 0.02 . 2 . . . . 42 GLU HG3 . 19991 1 474 . 1 1 42 42 GLU C C 13 178.620 0.03 . 1 . . . . 42 GLU C . 19991 1 475 . 1 1 42 42 GLU CA C 13 58.677 0.03 . 1 . . . . 42 GLU CA . 19991 1 476 . 1 1 42 42 GLU CB C 13 28.949 0.03 . 1 . . . . 42 GLU CB . 19991 1 477 . 1 1 42 42 GLU CG C 13 35.631 0.03 . 1 . . . . 42 GLU CG . 19991 1 478 . 1 1 42 42 GLU N N 15 118.557 0.03 . 1 . . . . 42 GLU N . 19991 1 479 . 1 1 43 43 ALA H H 1 7.299 0.02 . 1 . . . . 43 ALA H . 19991 1 480 . 1 1 43 43 ALA HA H 1 4.172 0.02 . 1 . . . . 43 ALA HA . 19991 1 481 . 1 1 43 43 ALA HB1 H 1 1.351 0.02 . 1 . . . . 43 ALA HB . 19991 1 482 . 1 1 43 43 ALA HB2 H 1 1.351 0.02 . 1 . . . . 43 ALA HB . 19991 1 483 . 1 1 43 43 ALA HB3 H 1 1.351 0.02 . 1 . . . . 43 ALA HB . 19991 1 484 . 1 1 43 43 ALA C C 13 177.833 0.03 . 1 . . . . 43 ALA C . 19991 1 485 . 1 1 43 43 ALA CA C 13 53.342 0.03 . 1 . . . . 43 ALA CA . 19991 1 486 . 1 1 43 43 ALA CB C 13 19.512 0.03 . 1 . . . . 43 ALA CB . 19991 1 487 . 1 1 43 43 ALA N N 15 119.702 0.03 . 1 . . . . 43 ALA N . 19991 1 488 . 1 1 44 44 HIS H H 1 7.966 0.02 . 1 . . . . 44 HIS H . 19991 1 489 . 1 1 44 44 HIS HA H 1 5.139 0.02 . 1 . . . . 44 HIS HA . 19991 1 490 . 1 1 44 44 HIS HB2 H 1 3.221 0.02 . 1 . . . . 44 HIS HB2 . 19991 1 491 . 1 1 44 44 HIS HB3 H 1 3.221 0.02 . 1 . . . . 44 HIS HB3 . 19991 1 492 . 1 1 44 44 HIS C C 13 172.421 0.03 . 1 . . . . 44 HIS C . 19991 1 493 . 1 1 44 44 HIS CA C 13 52.441 0.03 . 1 . . . . 44 HIS CA . 19991 1 494 . 1 1 44 44 HIS CB C 13 28.683 0.03 . 1 . . . . 44 HIS CB . 19991 1 495 . 1 1 44 44 HIS N N 15 115.725 0.03 . 1 . . . . 44 HIS N . 19991 1 496 . 1 1 45 45 PRO HA H 1 4.545 0.02 . 1 . . . . 45 PRO HA . 19991 1 497 . 1 1 45 45 PRO C C 13 177.686 0.03 . 1 . . . . 45 PRO C . 19991 1 498 . 1 1 45 45 PRO CA C 13 65.560 0.03 . 1 . . . . 45 PRO CA . 19991 1 499 . 1 1 45 45 PRO CB C 13 31.413 0.03 . 1 . . . . 45 PRO CB . 19991 1 500 . 1 1 45 45 PRO CG C 13 27.200 0.03 . 1 . . . . 45 PRO CG . 19991 1 501 . 1 1 45 45 PRO CD C 13 50.345 0.03 . 1 . . . . 45 PRO CD . 19991 1 502 . 1 1 46 46 ASP H H 1 8.729 0.02 . 1 . . . . 46 ASP H . 19991 1 503 . 1 1 46 46 ASP HA H 1 4.366 0.02 . 1 . . . . 46 ASP HA . 19991 1 504 . 1 1 46 46 ASP HB2 H 1 2.842 0.02 . 2 . . . . 46 ASP HB2 . 19991 1 505 . 1 1 46 46 ASP HB3 H 1 2.733 0.02 . 2 . . . . 46 ASP HB3 . 19991 1 506 . 1 1 46 46 ASP C C 13 177.017 0.03 . 1 . . . . 46 ASP C . 19991 1 507 . 1 1 46 46 ASP CA C 13 54.889 0.03 . 1 . . . . 46 ASP CA . 19991 1 508 . 1 1 46 46 ASP CB C 13 39.620 0.03 . 1 . . . . 46 ASP CB . 19991 1 509 . 1 1 46 46 ASP N N 15 115.610 0.03 . 1 . . . . 46 ASP N . 19991 1 510 . 1 1 47 47 CYS H H 1 7.645 0.02 . 1 . . . . 47 CYS H . 19991 1 511 . 1 1 47 47 CYS HA H 1 4.447 0.02 . 1 . . . . 47 CYS HA . 19991 1 512 . 1 1 47 47 CYS HB2 H 1 2.961 0.02 . 2 . . . . 47 CYS HB2 . 19991 1 513 . 1 1 47 47 CYS HB3 H 1 2.708 0.02 . 2 . . . . 47 CYS HB3 . 19991 1 514 . 1 1 47 47 CYS C C 13 174.305 0.03 . 1 . . . . 47 CYS C . 19991 1 515 . 1 1 47 47 CYS CA C 13 60.072 0.03 . 1 . . . . 47 CYS CA . 19991 1 516 . 1 1 47 47 CYS CB C 13 29.084 0.03 . 1 . . . . 47 CYS CB . 19991 1 517 . 1 1 47 47 CYS N N 15 118.885 0.03 . 1 . . . . 47 CYS N . 19991 1 518 . 1 1 48 48 ILE H H 1 7.653 0.02 . 1 . . . . 48 ILE H . 19991 1 519 . 1 1 48 48 ILE HA H 1 5.057 0.02 . 1 . . . . 48 ILE HA . 19991 1 520 . 1 1 48 48 ILE HB H 1 1.850 0.02 . 1 . . . . 48 ILE HB . 19991 1 521 . 1 1 48 48 ILE HG12 H 1 1.468 0.02 . 1 . . . . 48 ILE HG12 . 19991 1 522 . 1 1 48 48 ILE HG13 H 1 1.468 0.02 . 1 . . . . 48 ILE HG13 . 19991 1 523 . 1 1 48 48 ILE HG21 H 1 0.841 0.02 . 1 . . . . 48 ILE HG2 . 19991 1 524 . 1 1 48 48 ILE HG22 H 1 0.841 0.02 . 1 . . . . 48 ILE HG2 . 19991 1 525 . 1 1 48 48 ILE HG23 H 1 0.841 0.02 . 1 . . . . 48 ILE HG2 . 19991 1 526 . 1 1 48 48 ILE HD11 H 1 0.837 0.02 . 1 . . . . 48 ILE HD1 . 19991 1 527 . 1 1 48 48 ILE HD12 H 1 0.837 0.02 . 1 . . . . 48 ILE HD1 . 19991 1 528 . 1 1 48 48 ILE HD13 H 1 0.837 0.02 . 1 . . . . 48 ILE HD1 . 19991 1 529 . 1 1 48 48 ILE C C 13 172.375 0.03 . 1 . . . . 48 ILE C . 19991 1 530 . 1 1 48 48 ILE CA C 13 57.871 0.03 . 1 . . . . 48 ILE CA . 19991 1 531 . 1 1 48 48 ILE CB C 13 39.599 0.03 . 1 . . . . 48 ILE CB . 19991 1 532 . 1 1 48 48 ILE CG1 C 13 26.444 0.03 . 1 . . . . 48 ILE CG1 . 19991 1 533 . 1 1 48 48 ILE CG2 C 13 18.288 0.03 . 1 . . . . 48 ILE CG2 . 19991 1 534 . 1 1 48 48 ILE CD1 C 13 14.837 0.03 . 1 . . . . 48 ILE CD1 . 19991 1 535 . 1 1 48 48 ILE N N 15 116.036 0.03 . 1 . . . . 48 ILE N . 19991 1 536 . 1 1 49 49 PRO HA H 1 4.670 0.02 . 1 . . . . 49 PRO HA . 19991 1 537 . 1 1 49 49 PRO HB2 H 1 2.062 0.02 . 1 . . . . 49 PRO HB2 . 19991 1 538 . 1 1 49 49 PRO HB3 H 1 2.062 0.02 . 1 . . . . 49 PRO HB3 . 19991 1 539 . 1 1 49 49 PRO HG2 H 1 1.958 0.02 . 2 . . . . 49 PRO HG2 . 19991 1 540 . 1 1 49 49 PRO HG3 H 1 2.005 0.02 . 2 . . . . 49 PRO HG3 . 19991 1 541 . 1 1 49 49 PRO HD2 H 1 2.520 0.02 . 1 . . . . 49 PRO HD2 . 19991 1 542 . 1 1 49 49 PRO HD3 H 1 2.520 0.02 . 1 . . . . 49 PRO HD3 . 19991 1 543 . 1 1 49 49 PRO C C 13 176.787 0.03 . 1 . . . . 49 PRO C . 19991 1 544 . 1 1 49 49 PRO CA C 13 64.365 0.03 . 1 . . . . 49 PRO CA . 19991 1 545 . 1 1 49 49 PRO CB C 13 32.480 0.03 . 1 . . . . 49 PRO CB . 19991 1 546 . 1 1 49 49 PRO CG C 13 27.102 0.03 . 1 . . . . 49 PRO CG . 19991 1 547 . 1 1 49 49 PRO CD C 13 50.524 0.03 . 1 . . . . 49 PRO CD . 19991 1 548 . 1 1 50 50 ASP H H 1 6.831 0.02 . 1 . . . . 50 ASP H . 19991 1 549 . 1 1 50 50 ASP HA H 1 5.009 0.02 . 1 . . . . 50 ASP HA . 19991 1 550 . 1 1 50 50 ASP HB2 H 1 1.818 0.02 . 1 . . . . 50 ASP HB2 . 19991 1 551 . 1 1 50 50 ASP HB3 H 1 1.818 0.02 . 1 . . . . 50 ASP HB3 . 19991 1 552 . 1 1 50 50 ASP C C 13 173.180 0.03 . 1 . . . . 50 ASP C . 19991 1 553 . 1 1 50 50 ASP CA C 13 54.156 0.03 . 1 . . . . 50 ASP CA . 19991 1 554 . 1 1 50 50 ASP CB C 13 45.204 0.03 . 1 . . . . 50 ASP CB . 19991 1 555 . 1 1 50 50 ASP N N 15 114.139 0.03 . 1 . . . . 50 ASP N . 19991 1 556 . 1 1 51 51 VAL H H 1 8.051 0.02 . 1 . . . . 51 VAL H . 19991 1 557 . 1 1 51 51 VAL HA H 1 4.916 0.02 . 1 . . . . 51 VAL HA . 19991 1 558 . 1 1 51 51 VAL HB H 1 2.095 0.02 . 1 . . . . 51 VAL HB . 19991 1 559 . 1 1 51 51 VAL HG11 H 1 0.973 0.02 . 2 . . . . 51 VAL HG1 . 19991 1 560 . 1 1 51 51 VAL HG12 H 1 0.973 0.02 . 2 . . . . 51 VAL HG1 . 19991 1 561 . 1 1 51 51 VAL HG13 H 1 0.973 0.02 . 2 . . . . 51 VAL HG1 . 19991 1 562 . 1 1 51 51 VAL HG21 H 1 0.930 0.02 . 2 . . . . 51 VAL HG2 . 19991 1 563 . 1 1 51 51 VAL HG22 H 1 0.930 0.02 . 2 . . . . 51 VAL HG2 . 19991 1 564 . 1 1 51 51 VAL HG23 H 1 0.930 0.02 . 2 . . . . 51 VAL HG2 . 19991 1 565 . 1 1 51 51 VAL C C 13 172.825 0.03 . 1 . . . . 51 VAL C . 19991 1 566 . 1 1 51 51 VAL CA C 13 60.485 0.03 . 1 . . . . 51 VAL CA . 19991 1 567 . 1 1 51 51 VAL CB C 13 33.953 0.03 . 1 . . . . 51 VAL CB . 19991 1 568 . 1 1 51 51 VAL CG1 C 13 21.494 0.03 . 1 . . . . 51 VAL CG1 . 19991 1 569 . 1 1 51 51 VAL CG2 C 13 19.591 0.03 . 1 . . . . 51 VAL CG2 . 19991 1 570 . 1 1 51 51 VAL N N 15 122.960 0.03 . 1 . . . . 51 VAL N . 19991 1 571 . 1 1 52 52 GLU H H 1 8.502 0.02 . 1 . . . . 52 GLU H . 19991 1 572 . 1 1 52 52 GLU HA H 1 4.155 0.02 . 1 . . . . 52 GLU HA . 19991 1 573 . 1 1 52 52 GLU HB2 H 1 2.705 0.02 . 1 . . . . 52 GLU HB2 . 19991 1 574 . 1 1 52 52 GLU HB3 H 1 2.705 0.02 . 1 . . . . 52 GLU HB3 . 19991 1 575 . 1 1 52 52 GLU HG2 H 1 2.260 0.02 . 1 . . . . 52 GLU HG2 . 19991 1 576 . 1 1 52 52 GLU HG3 H 1 2.260 0.02 . 1 . . . . 52 GLU HG3 . 19991 1 577 . 1 1 52 52 GLU C C 13 173.268 0.03 . 1 . . . . 52 GLU C . 19991 1 578 . 1 1 52 52 GLU CA C 13 55.064 0.03 . 1 . . . . 52 GLU CA . 19991 1 579 . 1 1 52 52 GLU CB C 13 30.927 0.03 . 1 . . . . 52 GLU CB . 19991 1 580 . 1 1 52 52 GLU CG C 13 32.922 0.03 . 1 . . . . 52 GLU CG . 19991 1 581 . 1 1 52 52 GLU N N 15 126.786 0.03 . 1 . . . . 52 GLU N . 19991 1 582 . 1 1 53 53 LEU H H 1 8.834 0.02 . 1 . . . . 53 LEU H . 19991 1 583 . 1 1 53 53 LEU HA H 1 5.194 0.02 . 1 . . . . 53 LEU HA . 19991 1 584 . 1 1 53 53 LEU HB2 H 1 2.013 0.02 . 1 . . . . 53 LEU HB2 . 19991 1 585 . 1 1 53 53 LEU HB3 H 1 2.013 0.02 . 1 . . . . 53 LEU HB3 . 19991 1 586 . 1 1 53 53 LEU HG H 1 1.504 0.02 . 1 . . . . 53 LEU HG . 19991 1 587 . 1 1 53 53 LEU HD11 H 1 0.936 0.02 . 2 . . . . 53 LEU HD1 . 19991 1 588 . 1 1 53 53 LEU HD12 H 1 0.936 0.02 . 2 . . . . 53 LEU HD1 . 19991 1 589 . 1 1 53 53 LEU HD13 H 1 0.936 0.02 . 2 . . . . 53 LEU HD1 . 19991 1 590 . 1 1 53 53 LEU HD21 H 1 0.805 0.02 . 2 . . . . 53 LEU HD2 . 19991 1 591 . 1 1 53 53 LEU HD22 H 1 0.805 0.02 . 2 . . . . 53 LEU HD2 . 19991 1 592 . 1 1 53 53 LEU HD23 H 1 0.805 0.02 . 2 . . . . 53 LEU HD2 . 19991 1 593 . 1 1 53 53 LEU C C 13 175.066 0.03 . 1 . . . . 53 LEU C . 19991 1 594 . 1 1 53 53 LEU CA C 13 54.084 0.03 . 1 . . . . 53 LEU CA . 19991 1 595 . 1 1 53 53 LEU CB C 13 46.352 0.03 . 1 . . . . 53 LEU CB . 19991 1 596 . 1 1 53 53 LEU CG C 13 27.959 0.03 . 1 . . . . 53 LEU CG . 19991 1 597 . 1 1 53 53 LEU CD1 C 13 26.571 0.03 . 1 . . . . 53 LEU CD1 . 19991 1 598 . 1 1 53 53 LEU CD2 C 13 23.367 0.03 . 1 . . . . 53 LEU CD2 . 19991 1 599 . 1 1 53 53 LEU N N 15 127.123 0.03 . 1 . . . . 53 LEU N . 19991 1 600 . 1 1 54 54 SER H H 1 8.711 0.02 . 1 . . . . 54 SER H . 19991 1 601 . 1 1 54 54 SER HA H 1 4.542 0.02 . 1 . . . . 54 SER HA . 19991 1 602 . 1 1 54 54 SER HB2 H 1 3.805 0.02 . 2 . . . . 54 SER HB2 . 19991 1 603 . 1 1 54 54 SER HB3 H 1 3.838 0.02 . 2 . . . . 54 SER HB3 . 19991 1 604 . 1 1 54 54 SER C C 13 174.900 0.03 . 1 . . . . 54 SER C . 19991 1 605 . 1 1 54 54 SER CA C 13 57.152 0.03 . 1 . . . . 54 SER CA . 19991 1 606 . 1 1 54 54 SER CB C 13 64.389 0.03 . 1 . . . . 54 SER CB . 19991 1 607 . 1 1 54 54 SER N N 15 121.373 0.03 . 1 . . . . 54 SER N . 19991 1 608 . 1 1 55 55 HIS CA C 13 56.940 0.03 . 1 . . . . 55 HIS CA . 19991 1 609 . 1 1 55 55 HIS CB C 13 27.600 0.03 . 1 . . . . 55 HIS CB . 19991 1 610 . 1 1 56 56 GLY H H 1 8.826 0.02 . 1 . . . . 56 GLY H . 19991 1 611 . 1 1 56 56 GLY HA2 H 1 3.597 0.02 . 2 . . . . 56 GLY HA2 . 19991 1 612 . 1 1 56 56 GLY HA3 H 1 4.152 0.02 . 2 . . . . 56 GLY HA3 . 19991 1 613 . 1 1 56 56 GLY C C 13 171.964 0.03 . 1 . . . . 56 GLY C . 19991 1 614 . 1 1 56 56 GLY CA C 13 46.376 0.03 . 1 . . . . 56 GLY CA . 19991 1 615 . 1 1 56 56 GLY N N 15 105.904 0.03 . 1 . . . . 56 GLY N . 19991 1 616 . 1 1 57 57 VAL H H 1 7.756 0.02 . 1 . . . . 57 VAL H . 19991 1 617 . 1 1 57 57 VAL HA H 1 4.505 0.02 . 1 . . . . 57 VAL HA . 19991 1 618 . 1 1 57 57 VAL HB H 1 2.313 0.02 . 1 . . . . 57 VAL HB . 19991 1 619 . 1 1 57 57 VAL HG11 H 1 0.914 0.02 . 2 . . . . 57 VAL HG1 . 19991 1 620 . 1 1 57 57 VAL HG12 H 1 0.914 0.02 . 2 . . . . 57 VAL HG1 . 19991 1 621 . 1 1 57 57 VAL HG13 H 1 0.914 0.02 . 2 . . . . 57 VAL HG1 . 19991 1 622 . 1 1 57 57 VAL HG21 H 1 1.046 0.02 . 2 . . . . 57 VAL HG2 . 19991 1 623 . 1 1 57 57 VAL HG22 H 1 1.046 0.02 . 2 . . . . 57 VAL HG2 . 19991 1 624 . 1 1 57 57 VAL HG23 H 1 1.046 0.02 . 2 . . . . 57 VAL HG2 . 19991 1 625 . 1 1 57 57 VAL C C 13 174.978 0.03 . 1 . . . . 57 VAL C . 19991 1 626 . 1 1 57 57 VAL CA C 13 61.851 0.03 . 1 . . . . 57 VAL CA . 19991 1 627 . 1 1 57 57 VAL CB C 13 33.611 0.03 . 1 . . . . 57 VAL CB . 19991 1 628 . 1 1 57 57 VAL CG1 C 13 21.318 0.03 . 1 . . . . 57 VAL CG1 . 19991 1 629 . 1 1 57 57 VAL CG2 C 13 21.131 0.03 . 1 . . . . 57 VAL CG2 . 19991 1 630 . 1 1 57 57 VAL N N 15 119.946 0.03 . 1 . . . . 57 VAL N . 19991 1 631 . 1 1 58 58 MET H H 1 10.152 0.02 . 1 . . . . 58 MET H . 19991 1 632 . 1 1 58 58 MET HA H 1 5.749 0.02 . 1 . . . . 58 MET HA . 19991 1 633 . 1 1 58 58 MET HB2 H 1 2.318 0.02 . 2 . . . . 58 MET HB2 . 19991 1 634 . 1 1 58 58 MET HB3 H 1 2.012 0.02 . 2 . . . . 58 MET HB3 . 19991 1 635 . 1 1 58 58 MET HG2 H 1 2.485 0.02 . 2 . . . . 58 MET HG2 . 19991 1 636 . 1 1 58 58 MET HG3 H 1 2.101 0.02 . 2 . . . . 58 MET HG3 . 19991 1 637 . 1 1 58 58 MET C C 13 174.537 0.03 . 1 . . . . 58 MET C . 19991 1 638 . 1 1 58 58 MET CA C 13 53.164 0.03 . 1 . . . . 58 MET CA . 19991 1 639 . 1 1 58 58 MET CB C 13 36.123 0.03 . 1 . . . . 58 MET CB . 19991 1 640 . 1 1 58 58 MET CG C 13 31.503 0.03 . 1 . . . . 58 MET CG . 19991 1 641 . 1 1 58 58 MET N N 15 134.496 0.03 . 1 . . . . 58 MET N . 19991 1 642 . 1 1 59 59 THR H H 1 8.962 0.02 . 1 . . . . 59 THR H . 19991 1 643 . 1 1 59 59 THR HA H 1 5.182 0.02 . 1 . . . . 59 THR HA . 19991 1 644 . 1 1 59 59 THR HB H 1 4.044 0.02 . 1 . . . . 59 THR HB . 19991 1 645 . 1 1 59 59 THR HG21 H 1 1.246 0.02 . 1 . . . . 59 THR HG2 . 19991 1 646 . 1 1 59 59 THR HG22 H 1 1.246 0.02 . 1 . . . . 59 THR HG2 . 19991 1 647 . 1 1 59 59 THR HG23 H 1 1.246 0.02 . 1 . . . . 59 THR HG2 . 19991 1 648 . 1 1 59 59 THR C C 13 173.455 0.03 . 1 . . . . 59 THR C . 19991 1 649 . 1 1 59 59 THR CA C 13 60.890 0.03 . 1 . . . . 59 THR CA . 19991 1 650 . 1 1 59 59 THR CB C 13 70.411 0.03 . 1 . . . . 59 THR CB . 19991 1 651 . 1 1 59 59 THR CG2 C 13 21.831 0.03 . 1 . . . . 59 THR CG2 . 19991 1 652 . 1 1 59 59 THR N N 15 123.509 0.03 . 1 . . . . 59 THR N . 19991 1 653 . 1 1 60 60 LEU H H 1 8.832 0.02 . 1 . . . . 60 LEU H . 19991 1 654 . 1 1 60 60 LEU HA H 1 4.999 0.02 . 1 . . . . 60 LEU HA . 19991 1 655 . 1 1 60 60 LEU HB2 H 1 1.479 0.02 . 1 . . . . 60 LEU HB2 . 19991 1 656 . 1 1 60 60 LEU HB3 H 1 1.479 0.02 . 1 . . . . 60 LEU HB3 . 19991 1 657 . 1 1 60 60 LEU HG H 1 1.637 0.02 . 1 . . . . 60 LEU HG . 19991 1 658 . 1 1 60 60 LEU HD11 H 1 0.618 0.02 . 2 . . . . 60 LEU HD1 . 19991 1 659 . 1 1 60 60 LEU HD12 H 1 0.618 0.02 . 2 . . . . 60 LEU HD1 . 19991 1 660 . 1 1 60 60 LEU HD13 H 1 0.618 0.02 . 2 . . . . 60 LEU HD1 . 19991 1 661 . 1 1 60 60 LEU HD21 H 1 0.855 0.02 . 2 . . . . 60 LEU HD2 . 19991 1 662 . 1 1 60 60 LEU HD22 H 1 0.855 0.02 . 2 . . . . 60 LEU HD2 . 19991 1 663 . 1 1 60 60 LEU HD23 H 1 0.855 0.02 . 2 . . . . 60 LEU HD2 . 19991 1 664 . 1 1 60 60 LEU C C 13 173.767 0.03 . 1 . . . . 60 LEU C . 19991 1 665 . 1 1 60 60 LEU CA C 13 53.956 0.03 . 1 . . . . 60 LEU CA . 19991 1 666 . 1 1 60 60 LEU CB C 13 45.217 0.03 . 1 . . . . 60 LEU CB . 19991 1 667 . 1 1 60 60 LEU CG C 13 27.491 0.03 . 1 . . . . 60 LEU CG . 19991 1 668 . 1 1 60 60 LEU CD1 C 13 26.067 0.03 . 1 . . . . 60 LEU CD1 . 19991 1 669 . 1 1 60 60 LEU CD2 C 13 25.263 0.03 . 1 . . . . 60 LEU CD2 . 19991 1 670 . 1 1 60 60 LEU N N 15 129.105 0.03 . 1 . . . . 60 LEU N . 19991 1 671 . 1 1 61 61 GLU H H 1 8.488 0.02 . 1 . . . . 61 GLU H . 19991 1 672 . 1 1 61 61 GLU HA H 1 4.935 0.02 . 1 . . . . 61 GLU HA . 19991 1 673 . 1 1 61 61 GLU HB2 H 1 2.148 0.02 . 1 . . . . 61 GLU HB2 . 19991 1 674 . 1 1 61 61 GLU HB3 H 1 2.148 0.02 . 1 . . . . 61 GLU HB3 . 19991 1 675 . 1 1 61 61 GLU HG2 H 1 2.330 0.02 . 1 . . . . 61 GLU HG2 . 19991 1 676 . 1 1 61 61 GLU HG3 H 1 2.330 0.02 . 1 . . . . 61 GLU HG3 . 19991 1 677 . 1 1 61 61 GLU C C 13 174.477 0.03 . 1 . . . . 61 GLU C . 19991 1 678 . 1 1 61 61 GLU CA C 13 55.551 0.03 . 1 . . . . 61 GLU CA . 19991 1 679 . 1 1 61 61 GLU CB C 13 30.982 0.03 . 1 . . . . 61 GLU CB . 19991 1 680 . 1 1 61 61 GLU CG C 13 34.619 0.03 . 1 . . . . 61 GLU CG . 19991 1 681 . 1 1 61 61 GLU N N 15 128.534 0.03 . 1 . . . . 61 GLU N . 19991 1 682 . 1 1 62 62 ILE H H 1 7.678 0.02 . 1 . . . . 62 ILE H . 19991 1 683 . 1 1 62 62 ILE HA H 1 5.194 0.02 . 1 . . . . 62 ILE HA . 19991 1 684 . 1 1 62 62 ILE HB H 1 2.490 0.02 . 1 . . . . 62 ILE HB . 19991 1 685 . 1 1 62 62 ILE HG12 H 1 1.674 0.02 . 2 . . . . 62 ILE HG12 . 19991 1 686 . 1 1 62 62 ILE HG13 H 1 1.326 0.02 . 2 . . . . 62 ILE HG13 . 19991 1 687 . 1 1 62 62 ILE HG21 H 1 0.942 0.02 . 1 . . . . 62 ILE HG2 . 19991 1 688 . 1 1 62 62 ILE HG22 H 1 0.942 0.02 . 1 . . . . 62 ILE HG2 . 19991 1 689 . 1 1 62 62 ILE HG23 H 1 0.942 0.02 . 1 . . . . 62 ILE HG2 . 19991 1 690 . 1 1 62 62 ILE HD11 H 1 0.749 0.02 . 1 . . . . 62 ILE HD1 . 19991 1 691 . 1 1 62 62 ILE HD12 H 1 0.749 0.02 . 1 . . . . 62 ILE HD1 . 19991 1 692 . 1 1 62 62 ILE HD13 H 1 0.749 0.02 . 1 . . . . 62 ILE HD1 . 19991 1 693 . 1 1 62 62 ILE C C 13 174.444 0.03 . 1 . . . . 62 ILE C . 19991 1 694 . 1 1 62 62 ILE CA C 13 58.045 0.03 . 1 . . . . 62 ILE CA . 19991 1 695 . 1 1 62 62 ILE CB C 13 38.870 0.03 . 1 . . . . 62 ILE CB . 19991 1 696 . 1 1 62 62 ILE CG1 C 13 26.881 0.03 . 1 . . . . 62 ILE CG1 . 19991 1 697 . 1 1 62 62 ILE CG2 C 13 18.429 0.03 . 1 . . . . 62 ILE CG2 . 19991 1 698 . 1 1 62 62 ILE CD1 C 13 13.100 0.03 . 1 . . . . 62 ILE CD1 . 19991 1 699 . 1 1 62 62 ILE N N 15 123.146 0.03 . 1 . . . . 62 ILE N . 19991 1 700 . 1 1 63 63 PRO HA H 1 4.205 0.02 . 1 . . . . 63 PRO HA . 19991 1 701 . 1 1 63 63 PRO HB2 H 1 2.503 0.02 . 2 . . . . 63 PRO HB2 . 19991 1 702 . 1 1 63 63 PRO HB3 H 1 2.096 0.02 . 2 . . . . 63 PRO HB3 . 19991 1 703 . 1 1 63 63 PRO HG2 H 1 2.190 0.02 . 1 . . . . 63 PRO HG2 . 19991 1 704 . 1 1 63 63 PRO HG3 H 1 2.190 0.02 . 1 . . . . 63 PRO HG3 . 19991 1 705 . 1 1 63 63 PRO C C 13 176.846 0.03 . 1 . . . . 63 PRO C . 19991 1 706 . 1 1 63 63 PRO CA C 13 66.190 0.03 . 1 . . . . 63 PRO CA . 19991 1 707 . 1 1 63 63 PRO CB C 13 32.003 0.03 . 1 . . . . 63 PRO CB . 19991 1 708 . 1 1 63 63 PRO CG C 13 26.933 0.03 . 1 . . . . 63 PRO CG . 19991 1 709 . 1 1 63 63 PRO CD C 13 50.882 0.03 . 1 . . . . 63 PRO CD . 19991 1 710 . 1 1 64 64 ALA H H 1 8.645 0.02 . 1 . . . . 64 ALA H . 19991 1 711 . 1 1 64 64 ALA HA H 1 4.040 0.02 . 1 . . . . 64 ALA HA . 19991 1 712 . 1 1 64 64 ALA HB1 H 1 1.038 0.02 . 1 . . . . 64 ALA HB . 19991 1 713 . 1 1 64 64 ALA HB2 H 1 1.038 0.02 . 1 . . . . 64 ALA HB . 19991 1 714 . 1 1 64 64 ALA HB3 H 1 1.038 0.02 . 1 . . . . 64 ALA HB . 19991 1 715 . 1 1 64 64 ALA C C 13 177.911 0.03 . 1 . . . . 64 ALA C . 19991 1 716 . 1 1 64 64 ALA CA C 13 54.827 0.03 . 1 . . . . 64 ALA CA . 19991 1 717 . 1 1 64 64 ALA CB C 13 18.235 0.03 . 1 . . . . 64 ALA CB . 19991 1 718 . 1 1 64 64 ALA N N 15 119.982 0.03 . 1 . . . . 64 ALA N . 19991 1 719 . 1 1 65 65 PHE H H 1 8.495 0.02 . 1 . . . . 65 PHE H . 19991 1 720 . 1 1 65 65 PHE HA H 1 5.191 0.02 . 1 . . . . 65 PHE HA . 19991 1 721 . 1 1 65 65 PHE HB2 H 1 3.333 0.02 . 2 . . . . 65 PHE HB2 . 19991 1 722 . 1 1 65 65 PHE HB3 H 1 3.215 0.02 . 2 . . . . 65 PHE HB3 . 19991 1 723 . 1 1 65 65 PHE C C 13 175.138 0.03 . 1 . . . . 65 PHE C . 19991 1 724 . 1 1 65 65 PHE CA C 13 55.653 0.03 . 1 . . . . 65 PHE CA . 19991 1 725 . 1 1 65 65 PHE CB C 13 42.408 0.03 . 1 . . . . 65 PHE CB . 19991 1 726 . 1 1 65 65 PHE N N 15 114.259 0.03 . 1 . . . . 65 PHE N . 19991 1 727 . 1 1 66 66 GLY H H 1 9.261 0.02 . 1 . . . . 66 GLY H . 19991 1 728 . 1 1 66 66 GLY HA2 H 1 4.424 0.02 . 1 . . . . 66 GLY HA2 . 19991 1 729 . 1 1 66 66 GLY HA3 H 1 4.424 0.02 . 1 . . . . 66 GLY HA3 . 19991 1 730 . 1 1 66 66 GLY C C 13 171.170 0.03 . 1 . . . . 66 GLY C . 19991 1 731 . 1 1 66 66 GLY CA C 13 44.890 0.03 . 1 . . . . 66 GLY CA . 19991 1 732 . 1 1 66 66 GLY N N 15 109.473 0.03 . 1 . . . . 66 GLY N . 19991 1 733 . 1 1 67 67 THR H H 1 8.437 0.02 . 1 . . . . 67 THR H . 19991 1 734 . 1 1 67 67 THR HA H 1 4.820 0.02 . 1 . . . . 67 THR HA . 19991 1 735 . 1 1 67 67 THR HB H 1 3.898 0.02 . 1 . . . . 67 THR HB . 19991 1 736 . 1 1 67 67 THR HG21 H 1 1.250 0.02 . 1 . . . . 67 THR HG2 . 19991 1 737 . 1 1 67 67 THR HG22 H 1 1.250 0.02 . 1 . . . . 67 THR HG2 . 19991 1 738 . 1 1 67 67 THR HG23 H 1 1.250 0.02 . 1 . . . . 67 THR HG2 . 19991 1 739 . 1 1 67 67 THR C C 13 174.513 0.03 . 1 . . . . 67 THR C . 19991 1 740 . 1 1 67 67 THR CA C 13 63.127 0.03 . 1 . . . . 67 THR CA . 19991 1 741 . 1 1 67 67 THR CB C 13 70.250 0.03 . 1 . . . . 67 THR CB . 19991 1 742 . 1 1 67 67 THR CG2 C 13 22.192 0.03 . 1 . . . . 67 THR CG2 . 19991 1 743 . 1 1 67 67 THR N N 15 120.244 0.03 . 1 . . . . 67 THR N . 19991 1 744 . 1 1 68 68 TYR H H 1 9.767 0.02 . 1 . . . . 68 TYR H . 19991 1 745 . 1 1 68 68 TYR HA H 1 4.912 0.02 . 1 . . . . 68 TYR HA . 19991 1 746 . 1 1 68 68 TYR HB2 H 1 2.557 0.02 . 1 . . . . 68 TYR HB2 . 19991 1 747 . 1 1 68 68 TYR HB3 H 1 2.557 0.02 . 1 . . . . 68 TYR HB3 . 19991 1 748 . 1 1 68 68 TYR C C 13 175.529 0.03 . 1 . . . . 68 TYR C . 19991 1 749 . 1 1 68 68 TYR CA C 13 57.752 0.03 . 1 . . . . 68 TYR CA . 19991 1 750 . 1 1 68 68 TYR CB C 13 41.839 0.03 . 1 . . . . 68 TYR CB . 19991 1 751 . 1 1 68 68 TYR N N 15 129.382 0.03 . 1 . . . . 68 TYR N . 19991 1 752 . 1 1 69 69 VAL H H 1 7.744 0.02 . 1 . . . . 69 VAL H . 19991 1 753 . 1 1 69 69 VAL HA H 1 5.105 0.02 . 1 . . . . 69 VAL HA . 19991 1 754 . 1 1 69 69 VAL HB H 1 2.055 0.02 . 1 . . . . 69 VAL HB . 19991 1 755 . 1 1 69 69 VAL HG11 H 1 1.016 0.02 . 2 . . . . 69 VAL HG1 . 19991 1 756 . 1 1 69 69 VAL HG12 H 1 1.016 0.02 . 2 . . . . 69 VAL HG1 . 19991 1 757 . 1 1 69 69 VAL HG13 H 1 1.016 0.02 . 2 . . . . 69 VAL HG1 . 19991 1 758 . 1 1 69 69 VAL HG21 H 1 1.016 0.02 . 2 . . . . 69 VAL HG2 . 19991 1 759 . 1 1 69 69 VAL HG22 H 1 1.016 0.02 . 2 . . . . 69 VAL HG2 . 19991 1 760 . 1 1 69 69 VAL HG23 H 1 1.016 0.02 . 2 . . . . 69 VAL HG2 . 19991 1 761 . 1 1 69 69 VAL C C 13 175.775 0.03 . 1 . . . . 69 VAL C . 19991 1 762 . 1 1 69 69 VAL CA C 13 61.616 0.03 . 1 . . . . 69 VAL CA . 19991 1 763 . 1 1 69 69 VAL CB C 13 35.088 0.03 . 1 . . . . 69 VAL CB . 19991 1 764 . 1 1 69 69 VAL CG1 C 13 21.067 0.03 . 1 . . . . 69 VAL CG1 . 19991 1 765 . 1 1 69 69 VAL CG2 C 13 21.067 0.03 . 1 . . . . 69 VAL CG2 . 19991 1 766 . 1 1 69 69 VAL N N 15 119.436 0.03 . 1 . . . . 69 VAL N . 19991 1 767 . 1 1 72 72 LYS H H 1 8.565 0.02 . 1 . . . . 72 LYS H . 19991 1 768 . 1 1 72 72 LYS HA H 1 4.485 0.02 . 1 . . . . 72 LYS HA . 19991 1 769 . 1 1 72 72 LYS HB2 H 1 3.998 0.02 . 1 . . . . 72 LYS HB2 . 19991 1 770 . 1 1 72 72 LYS HB3 H 1 3.998 0.02 . 1 . . . . 72 LYS HB3 . 19991 1 771 . 1 1 72 72 LYS C C 13 176.460 0.03 . 1 . . . . 72 LYS C . 19991 1 772 . 1 1 72 72 LYS CA C 13 58.517 0.03 . 1 . . . . 72 LYS CA . 19991 1 773 . 1 1 72 72 LYS CB C 13 33.045 0.03 . 1 . . . . 72 LYS CB . 19991 1 774 . 1 1 72 72 LYS N N 15 122.273 0.03 . 1 . . . . 72 LYS N . 19991 1 775 . 1 1 73 73 GLN H H 1 7.918 0.02 . 1 . . . . 73 GLN H . 19991 1 776 . 1 1 73 73 GLN HA H 1 4.590 0.02 . 1 . . . . 73 GLN HA . 19991 1 777 . 1 1 73 73 GLN C C 13 173.249 0.03 . 1 . . . . 73 GLN C . 19991 1 778 . 1 1 73 73 GLN CA C 13 51.670 0.03 . 1 . . . . 73 GLN CA . 19991 1 779 . 1 1 73 73 GLN N N 15 124.369 0.03 . 1 . . . . 73 GLN N . 19991 1 780 . 1 1 74 74 PRO HA H 1 4.437 0.02 . 1 . . . . 74 PRO HA . 19991 1 781 . 1 1 74 74 PRO HB2 H 1 2.370 0.02 . 1 . . . . 74 PRO HB2 . 19991 1 782 . 1 1 74 74 PRO HB3 H 1 2.370 0.02 . 1 . . . . 74 PRO HB3 . 19991 1 783 . 1 1 74 74 PRO HG2 H 1 2.113 0.02 . 2 . . . . 74 PRO HG2 . 19991 1 784 . 1 1 74 74 PRO HG3 H 1 2.008 0.02 . 2 . . . . 74 PRO HG3 . 19991 1 785 . 1 1 74 74 PRO HD2 H 1 3.900 0.02 . 2 . . . . 74 PRO HD2 . 19991 1 786 . 1 1 74 74 PRO HD3 H 1 3.720 0.02 . 2 . . . . 74 PRO HD3 . 19991 1 787 . 1 1 74 74 PRO CA C 13 63.200 0.03 . 1 . . . . 74 PRO CA . 19991 1 788 . 1 1 74 74 PRO CB C 13 32.062 0.03 . 1 . . . . 74 PRO CB . 19991 1 789 . 1 1 74 74 PRO CG C 13 27.524 0.03 . 1 . . . . 74 PRO CG . 19991 1 790 . 1 1 74 74 PRO CD C 13 50.628 0.03 . 1 . . . . 74 PRO CD . 19991 1 791 . 1 1 75 75 PRO HA H 1 4.313 0.02 . 1 . . . . 75 PRO HA . 19991 1 792 . 1 1 75 75 PRO HB2 H 1 2.418 0.02 . 1 . . . . 75 PRO HB2 . 19991 1 793 . 1 1 75 75 PRO HB3 H 1 2.418 0.02 . 1 . . . . 75 PRO HB3 . 19991 1 794 . 1 1 75 75 PRO HG2 H 1 2.090 0.02 . 1 . . . . 75 PRO HG2 . 19991 1 795 . 1 1 75 75 PRO HG3 H 1 2.090 0.02 . 1 . . . . 75 PRO HG3 . 19991 1 796 . 1 1 75 75 PRO HD2 H 1 3.712 0.02 . 1 . . . . 75 PRO HD2 . 19991 1 797 . 1 1 75 75 PRO HD3 H 1 3.712 0.02 . 1 . . . . 75 PRO HD3 . 19991 1 798 . 1 1 75 75 PRO C C 13 176.646 0.03 . 1 . . . . 75 PRO C . 19991 1 799 . 1 1 75 75 PRO CA C 13 66.066 0.03 . 1 . . . . 75 PRO CA . 19991 1 800 . 1 1 75 75 PRO CB C 13 30.824 0.03 . 1 . . . . 75 PRO CB . 19991 1 801 . 1 1 75 75 PRO CG C 13 28.000 0.03 . 1 . . . . 75 PRO CG . 19991 1 802 . 1 1 75 75 PRO CD C 13 50.478 0.03 . 1 . . . . 75 PRO CD . 19991 1 803 . 1 1 76 76 ASN H H 1 6.944 0.02 . 1 . . . . 76 ASN H . 19991 1 804 . 1 1 76 76 ASN HA H 1 4.824 0.02 . 1 . . . . 76 ASN HA . 19991 1 805 . 1 1 76 76 ASN HB2 H 1 3.179 0.02 . 2 . . . . 76 ASN HB2 . 19991 1 806 . 1 1 76 76 ASN HB3 H 1 2.345 0.02 . 2 . . . . 76 ASN HB3 . 19991 1 807 . 1 1 76 76 ASN C C 13 173.043 0.03 . 1 . . . . 76 ASN C . 19991 1 808 . 1 1 76 76 ASN CA C 13 52.593 0.03 . 1 . . . . 76 ASN CA . 19991 1 809 . 1 1 76 76 ASN CB C 13 40.752 0.03 . 1 . . . . 76 ASN CB . 19991 1 810 . 1 1 76 76 ASN N N 15 112.050 0.03 . 1 . . . . 76 ASN N . 19991 1 811 . 1 1 77 77 LYS H H 1 7.936 0.02 . 1 . . . . 77 LYS H . 19991 1 812 . 1 1 77 77 LYS HA H 1 4.989 0.02 . 1 . . . . 77 LYS HA . 19991 1 813 . 1 1 77 77 LYS C C 13 174.037 0.03 . 1 . . . . 77 LYS C . 19991 1 814 . 1 1 77 77 LYS CA C 13 57.793 0.03 . 1 . . . . 77 LYS CA . 19991 1 815 . 1 1 77 77 LYS CB C 13 28.789 0.03 . 1 . . . . 77 LYS CB . 19991 1 816 . 1 1 77 77 LYS N N 15 117.706 0.03 . 1 . . . . 77 LYS N . 19991 1 817 . 1 1 78 78 GLN H H 1 6.662 0.02 . 1 . . . . 78 GLN H . 19991 1 818 . 1 1 78 78 GLN HA H 1 5.877 0.02 . 1 . . . . 78 GLN HA . 19991 1 819 . 1 1 78 78 GLN HB2 H 1 2.332 0.02 . 2 . . . . 78 GLN HB2 . 19991 1 820 . 1 1 78 78 GLN HB3 H 1 2.041 0.02 . 2 . . . . 78 GLN HB3 . 19991 1 821 . 1 1 78 78 GLN HG2 H 1 2.643 0.02 . 2 . . . . 78 GLN HG2 . 19991 1 822 . 1 1 78 78 GLN HG3 H 1 2.890 0.02 . 2 . . . . 78 GLN HG3 . 19991 1 823 . 1 1 78 78 GLN C C 13 179.051 0.03 . 1 . . . . 78 GLN C . 19991 1 824 . 1 1 78 78 GLN CA C 13 53.815 0.03 . 1 . . . . 78 GLN CA . 19991 1 825 . 1 1 78 78 GLN CB C 13 37.194 0.03 . 1 . . . . 78 GLN CB . 19991 1 826 . 1 1 78 78 GLN CG C 13 33.749 0.03 . 1 . . . . 78 GLN CG . 19991 1 827 . 1 1 78 78 GLN N N 15 111.319 0.03 . 1 . . . . 78 GLN N . 19991 1 828 . 1 1 79 79 ILE H H 1 9.109 0.02 . 1 . . . . 79 ILE H . 19991 1 829 . 1 1 79 79 ILE HA H 1 4.546 0.02 . 1 . . . . 79 ILE HA . 19991 1 830 . 1 1 79 79 ILE HB H 1 1.130 0.02 . 1 . . . . 79 ILE HB . 19991 1 831 . 1 1 79 79 ILE HG12 H 1 0.779 0.02 . 2 . . . . 79 ILE HG12 . 19991 1 832 . 1 1 79 79 ILE HG13 H 1 0.271 0.02 . 2 . . . . 79 ILE HG13 . 19991 1 833 . 1 1 79 79 ILE HG21 H 1 0.625 0.02 . 1 . . . . 79 ILE HG2 . 19991 1 834 . 1 1 79 79 ILE HG22 H 1 0.625 0.02 . 1 . . . . 79 ILE HG2 . 19991 1 835 . 1 1 79 79 ILE HG23 H 1 0.625 0.02 . 1 . . . . 79 ILE HG2 . 19991 1 836 . 1 1 79 79 ILE HD11 H 1 -0.541 0.02 . 1 . . . . 79 ILE HD1 . 19991 1 837 . 1 1 79 79 ILE HD12 H 1 -0.541 0.02 . 1 . . . . 79 ILE HD1 . 19991 1 838 . 1 1 79 79 ILE HD13 H 1 -0.541 0.02 . 1 . . . . 79 ILE HD1 . 19991 1 839 . 1 1 79 79 ILE C C 13 174.561 0.03 . 1 . . . . 79 ILE C . 19991 1 840 . 1 1 79 79 ILE CA C 13 62.398 0.03 . 1 . . . . 79 ILE CA . 19991 1 841 . 1 1 79 79 ILE CB C 13 40.466 0.03 . 1 . . . . 79 ILE CB . 19991 1 842 . 1 1 79 79 ILE CG1 C 13 28.641 0.03 . 1 . . . . 79 ILE CG1 . 19991 1 843 . 1 1 79 79 ILE CG2 C 13 18.365 0.03 . 1 . . . . 79 ILE CG2 . 19991 1 844 . 1 1 79 79 ILE CD1 C 13 11.841 0.03 . 1 . . . . 79 ILE CD1 . 19991 1 845 . 1 1 79 79 ILE N N 15 126.135 0.03 . 1 . . . . 79 ILE N . 19991 1 846 . 1 1 80 80 TRP H H 1 9.812 0.02 . 1 . . . . 80 TRP H . 19991 1 847 . 1 1 80 80 TRP HA H 1 5.764 0.02 . 1 . . . . 80 TRP HA . 19991 1 848 . 1 1 80 80 TRP HB2 H 1 3.492 0.02 . 2 . . . . 80 TRP HB2 . 19991 1 849 . 1 1 80 80 TRP HB3 H 1 3.636 0.02 . 2 . . . . 80 TRP HB3 . 19991 1 850 . 1 1 80 80 TRP C C 13 173.359 0.03 . 1 . . . . 80 TRP C . 19991 1 851 . 1 1 80 80 TRP CA C 13 54.998 0.03 . 1 . . . . 80 TRP CA . 19991 1 852 . 1 1 80 80 TRP CB C 13 31.112 0.03 . 1 . . . . 80 TRP CB . 19991 1 853 . 1 1 80 80 TRP N N 15 131.903 0.03 . 1 . . . . 80 TRP N . 19991 1 854 . 1 1 81 81 LEU H H 1 8.808 0.02 . 1 . . . . 81 LEU H . 19991 1 855 . 1 1 81 81 LEU HA H 1 5.328 0.02 . 1 . . . . 81 LEU HA . 19991 1 856 . 1 1 81 81 LEU HB2 H 1 1.648 0.02 . 2 . . . . 81 LEU HB2 . 19991 1 857 . 1 1 81 81 LEU HB3 H 1 2.138 0.02 . 2 . . . . 81 LEU HB3 . 19991 1 858 . 1 1 81 81 LEU HG H 1 1.166 0.02 . 1 . . . . 81 LEU HG . 19991 1 859 . 1 1 81 81 LEU HD11 H 1 1.174 0.02 . 1 . . . . 81 LEU HD1 . 19991 1 860 . 1 1 81 81 LEU HD12 H 1 1.174 0.02 . 1 . . . . 81 LEU HD1 . 19991 1 861 . 1 1 81 81 LEU HD13 H 1 1.174 0.02 . 1 . . . . 81 LEU HD1 . 19991 1 862 . 1 1 81 81 LEU HD21 H 1 1.174 0.02 . 1 . . . . 81 LEU HD2 . 19991 1 863 . 1 1 81 81 LEU HD22 H 1 1.174 0.02 . 1 . . . . 81 LEU HD2 . 19991 1 864 . 1 1 81 81 LEU HD23 H 1 1.174 0.02 . 1 . . . . 81 LEU HD2 . 19991 1 865 . 1 1 81 81 LEU C C 13 174.561 0.03 . 1 . . . . 81 LEU C . 19991 1 866 . 1 1 81 81 LEU CA C 13 53.413 0.03 . 1 . . . . 81 LEU CA . 19991 1 867 . 1 1 81 81 LEU CB C 13 48.553 0.03 . 1 . . . . 81 LEU CB . 19991 1 868 . 1 1 81 81 LEU CG C 13 27.112 0.03 . 1 . . . . 81 LEU CG . 19991 1 869 . 1 1 81 81 LEU CD1 C 13 24.667 0.03 . 1 . . . . 81 LEU CD1 . 19991 1 870 . 1 1 81 81 LEU CD2 C 13 24.741 0.03 . 1 . . . . 81 LEU CD2 . 19991 1 871 . 1 1 81 81 LEU N N 15 122.378 0.03 . 1 . . . . 81 LEU N . 19991 1 872 . 1 1 82 82 ALA H H 1 9.169 0.02 . 1 . . . . 82 ALA H . 19991 1 873 . 1 1 82 82 ALA HA H 1 4.312 0.02 . 1 . . . . 82 ALA HA . 19991 1 874 . 1 1 82 82 ALA HB1 H 1 1.491 0.02 . 1 . . . . 82 ALA HB . 19991 1 875 . 1 1 82 82 ALA HB2 H 1 1.491 0.02 . 1 . . . . 82 ALA HB . 19991 1 876 . 1 1 82 82 ALA HB3 H 1 1.491 0.02 . 1 . . . . 82 ALA HB . 19991 1 877 . 1 1 82 82 ALA C C 13 175.545 0.03 . 1 . . . . 82 ALA C . 19991 1 878 . 1 1 82 82 ALA CA C 13 51.899 0.03 . 1 . . . . 82 ALA CA . 19991 1 879 . 1 1 82 82 ALA CB C 13 19.328 0.03 . 1 . . . . 82 ALA CB . 19991 1 880 . 1 1 82 82 ALA N N 15 130.828 0.03 . 1 . . . . 82 ALA N . 19991 1 881 . 1 1 83 83 SER H H 1 7.179 0.02 . 1 . . . . 83 SER H . 19991 1 882 . 1 1 83 83 SER HA H 1 4.833 0.02 . 1 . . . . 83 SER HA . 19991 1 883 . 1 1 83 83 SER HB2 H 1 4.203 0.02 . 1 . . . . 83 SER HB2 . 19991 1 884 . 1 1 83 83 SER HB3 H 1 4.203 0.02 . 1 . . . . 83 SER HB3 . 19991 1 885 . 1 1 83 83 SER C C 13 175.414 0.03 . 1 . . . . 83 SER C . 19991 1 886 . 1 1 83 83 SER CA C 13 51.642 0.03 . 1 . . . . 83 SER CA . 19991 1 887 . 1 1 83 83 SER CB C 13 63.135 0.03 . 1 . . . . 83 SER CB . 19991 1 888 . 1 1 83 83 SER N N 15 117.773 0.03 . 1 . . . . 83 SER N . 19991 1 889 . 1 1 84 84 PRO HA H 1 4.410 0.02 . 1 . . . . 84 PRO HA . 19991 1 890 . 1 1 84 84 PRO HB2 H 1 2.407 0.02 . 2 . . . . 84 PRO HB2 . 19991 1 891 . 1 1 84 84 PRO HB3 H 1 2.362 0.02 . 2 . . . . 84 PRO HB3 . 19991 1 892 . 1 1 84 84 PRO HG2 H 1 2.068 0.02 . 2 . . . . 84 PRO HG2 . 19991 1 893 . 1 1 84 84 PRO HG3 H 1 2.136 0.02 . 2 . . . . 84 PRO HG3 . 19991 1 894 . 1 1 84 84 PRO HD2 H 1 3.992 0.02 . 2 . . . . 84 PRO HD2 . 19991 1 895 . 1 1 84 84 PRO HD3 H 1 3.791 0.02 . 2 . . . . 84 PRO HD3 . 19991 1 896 . 1 1 84 84 PRO C C 13 175.715 0.03 . 1 . . . . 84 PRO C . 19991 1 897 . 1 1 84 84 PRO CA C 13 63.308 0.03 . 1 . . . . 84 PRO CA . 19991 1 898 . 1 1 84 84 PRO CB C 13 32.141 0.03 . 1 . . . . 84 PRO CB . 19991 1 899 . 1 1 84 84 PRO CG C 13 27.400 0.03 . 1 . . . . 84 PRO CG . 19991 1 900 . 1 1 84 84 PRO CD C 13 51.200 0.03 . 1 . . . . 84 PRO CD . 19991 1 901 . 1 1 85 85 LEU H H 1 7.796 0.02 . 1 . . . . 85 LEU H . 19991 1 902 . 1 1 85 85 LEU HA H 1 4.335 0.02 . 1 . . . . 85 LEU HA . 19991 1 903 . 1 1 85 85 LEU HB2 H 1 1.371 0.02 . 1 . . . . 85 LEU HB2 . 19991 1 904 . 1 1 85 85 LEU HB3 H 1 1.371 0.02 . 1 . . . . 85 LEU HB3 . 19991 1 905 . 1 1 85 85 LEU HG H 1 1.229 0.02 . 1 . . . . 85 LEU HG . 19991 1 906 . 1 1 85 85 LEU HD11 H 1 0.275 0.02 . 2 . . . . 85 LEU HD1 . 19991 1 907 . 1 1 85 85 LEU HD12 H 1 0.275 0.02 . 2 . . . . 85 LEU HD1 . 19991 1 908 . 1 1 85 85 LEU HD13 H 1 0.275 0.02 . 2 . . . . 85 LEU HD1 . 19991 1 909 . 1 1 85 85 LEU HD21 H 1 0.407 0.02 . 2 . . . . 85 LEU HD2 . 19991 1 910 . 1 1 85 85 LEU HD22 H 1 0.407 0.02 . 2 . . . . 85 LEU HD2 . 19991 1 911 . 1 1 85 85 LEU HD23 H 1 0.407 0.02 . 2 . . . . 85 LEU HD2 . 19991 1 912 . 1 1 85 85 LEU C C 13 177.652 0.03 . 1 . . . . 85 LEU C . 19991 1 913 . 1 1 85 85 LEU CA C 13 55.988 0.03 . 1 . . . . 85 LEU CA . 19991 1 914 . 1 1 85 85 LEU CB C 13 43.321 0.03 . 1 . . . . 85 LEU CB . 19991 1 915 . 1 1 85 85 LEU CG C 13 26.886 0.03 . 1 . . . . 85 LEU CG . 19991 1 916 . 1 1 85 85 LEU CD1 C 13 23.619 0.03 . 1 . . . . 85 LEU CD1 . 19991 1 917 . 1 1 85 85 LEU CD2 C 13 22.634 0.03 . 1 . . . . 85 LEU CD2 . 19991 1 918 . 1 1 85 85 LEU N N 15 120.904 0.03 . 1 . . . . 85 LEU N . 19991 1 919 . 1 1 86 86 SER H H 1 8.222 0.02 . 1 . . . . 86 SER H . 19991 1 920 . 1 1 86 86 SER HA H 1 4.460 0.02 . 1 . . . . 86 SER HA . 19991 1 921 . 1 1 86 86 SER HB2 H 1 4.117 0.02 . 1 . . . . 86 SER HB2 . 19991 1 922 . 1 1 86 86 SER HB3 H 1 4.117 0.02 . 1 . . . . 86 SER HB3 . 19991 1 923 . 1 1 86 86 SER C C 13 177.470 0.03 . 1 . . . . 86 SER C . 19991 1 924 . 1 1 86 86 SER CA C 13 57.263 0.03 . 1 . . . . 86 SER CA . 19991 1 925 . 1 1 86 86 SER CB C 13 63.243 0.03 . 1 . . . . 86 SER CB . 19991 1 926 . 1 1 86 86 SER N N 15 111.608 0.03 . 1 . . . . 86 SER N . 19991 1 927 . 1 1 87 87 GLY H H 1 8.018 0.02 . 1 . . . . 87 GLY H . 19991 1 928 . 1 1 87 87 GLY HA2 H 1 4.404 0.02 . 1 . . . . 87 GLY HA2 . 19991 1 929 . 1 1 87 87 GLY HA3 H 1 4.404 0.02 . 1 . . . . 87 GLY HA3 . 19991 1 930 . 1 1 87 87 GLY C C 13 172.902 0.03 . 1 . . . . 87 GLY C . 19991 1 931 . 1 1 87 87 GLY CA C 13 45.053 0.03 . 1 . . . . 87 GLY CA . 19991 1 932 . 1 1 87 87 GLY N N 15 114.319 0.03 . 1 . . . . 87 GLY N . 19991 1 933 . 1 1 88 88 PRO HA H 1 5.662 0.02 . 1 . . . . 88 PRO HA . 19991 1 934 . 1 1 88 88 PRO C C 13 177.929 0.03 . 1 . . . . 88 PRO C . 19991 1 935 . 1 1 88 88 PRO CA C 13 61.867 0.03 . 1 . . . . 88 PRO CA . 19991 1 936 . 1 1 88 88 PRO CB C 13 32.448 0.03 . 1 . . . . 88 PRO CB . 19991 1 937 . 1 1 89 89 ASN H H 1 9.221 0.02 . 1 . . . . 89 ASN H . 19991 1 938 . 1 1 89 89 ASN HA H 1 4.638 0.02 . 1 . . . . 89 ASN HA . 19991 1 939 . 1 1 89 89 ASN HB2 H 1 2.532 0.02 . 2 . . . . 89 ASN HB2 . 19991 1 940 . 1 1 89 89 ASN HB3 H 1 2.756 0.02 . 2 . . . . 89 ASN HB3 . 19991 1 941 . 1 1 89 89 ASN C C 13 172.938 0.03 . 1 . . . . 89 ASN C . 19991 1 942 . 1 1 89 89 ASN CA C 13 52.634 0.03 . 1 . . . . 89 ASN CA . 19991 1 943 . 1 1 89 89 ASN CB C 13 43.516 0.03 . 1 . . . . 89 ASN CB . 19991 1 944 . 1 1 89 89 ASN N N 15 121.577 0.03 . 1 . . . . 89 ASN N . 19991 1 945 . 1 1 90 90 ARG H H 1 8.532 0.02 . 1 . . . . 90 ARG H . 19991 1 946 . 1 1 90 90 ARG HA H 1 4.732 0.02 . 1 . . . . 90 ARG HA . 19991 1 947 . 1 1 90 90 ARG C C 13 174.970 0.03 . 1 . . . . 90 ARG C . 19991 1 948 . 1 1 90 90 ARG CA C 13 55.648 0.03 . 1 . . . . 90 ARG CA . 19991 1 949 . 1 1 90 90 ARG CB C 13 33.430 0.03 . 1 . . . . 90 ARG CB . 19991 1 950 . 1 1 90 90 ARG N N 15 121.663 0.03 . 1 . . . . 90 ARG N . 19991 1 951 . 1 1 91 91 PHE H H 1 9.335 0.02 . 1 . . . . 91 PHE H . 19991 1 952 . 1 1 91 91 PHE HA H 1 4.789 0.02 . 1 . . . . 91 PHE HA . 19991 1 953 . 1 1 91 91 PHE HB2 H 1 3.196 0.02 . 2 . . . . 91 PHE HB2 . 19991 1 954 . 1 1 91 91 PHE HB3 H 1 3.422 0.02 . 2 . . . . 91 PHE HB3 . 19991 1 955 . 1 1 91 91 PHE C C 13 173.866 0.03 . 1 . . . . 91 PHE C . 19991 1 956 . 1 1 91 91 PHE CA C 13 58.641 0.03 . 1 . . . . 91 PHE CA . 19991 1 957 . 1 1 91 91 PHE CB C 13 41.303 0.03 . 1 . . . . 91 PHE CB . 19991 1 958 . 1 1 91 91 PHE N N 15 122.173 0.03 . 1 . . . . 91 PHE N . 19991 1 959 . 1 1 92 92 ASP H H 1 9.365 0.02 . 1 . . . . 92 ASP H . 19991 1 960 . 1 1 92 92 ASP HA H 1 5.397 0.02 . 1 . . . . 92 ASP HA . 19991 1 961 . 1 1 92 92 ASP HB2 H 1 2.674 0.02 . 2 . . . . 92 ASP HB2 . 19991 1 962 . 1 1 92 92 ASP HB3 H 1 2.521 0.02 . 2 . . . . 92 ASP HB3 . 19991 1 963 . 1 1 92 92 ASP C C 13 173.708 0.03 . 1 . . . . 92 ASP C . 19991 1 964 . 1 1 92 92 ASP CA C 13 53.675 0.03 . 1 . . . . 92 ASP CA . 19991 1 965 . 1 1 92 92 ASP CB C 13 46.305 0.03 . 1 . . . . 92 ASP CB . 19991 1 966 . 1 1 92 92 ASP N N 15 126.461 0.03 . 1 . . . . 92 ASP N . 19991 1 967 . 1 1 93 93 LEU H H 1 8.543 0.02 . 1 . . . . 93 LEU H . 19991 1 968 . 1 1 93 93 LEU HA H 1 3.787 0.02 . 1 . . . . 93 LEU HA . 19991 1 969 . 1 1 93 93 LEU HB2 H 1 1.549 0.02 . 1 . . . . 93 LEU HB2 . 19991 1 970 . 1 1 93 93 LEU HB3 H 1 1.549 0.02 . 1 . . . . 93 LEU HB3 . 19991 1 971 . 1 1 93 93 LEU HG H 1 0.905 0.02 . 1 . . . . 93 LEU HG . 19991 1 972 . 1 1 93 93 LEU HD11 H 1 0.625 0.02 . 2 . . . . 93 LEU HD1 . 19991 1 973 . 1 1 93 93 LEU HD12 H 1 0.625 0.02 . 2 . . . . 93 LEU HD1 . 19991 1 974 . 1 1 93 93 LEU HD13 H 1 0.625 0.02 . 2 . . . . 93 LEU HD1 . 19991 1 975 . 1 1 93 93 LEU HD21 H 1 -0.355 0.02 . 2 . . . . 93 LEU HD2 . 19991 1 976 . 1 1 93 93 LEU HD22 H 1 -0.355 0.02 . 2 . . . . 93 LEU HD2 . 19991 1 977 . 1 1 93 93 LEU HD23 H 1 -0.355 0.02 . 2 . . . . 93 LEU HD2 . 19991 1 978 . 1 1 93 93 LEU C C 13 174.791 0.03 . 1 . . . . 93 LEU C . 19991 1 979 . 1 1 93 93 LEU CA C 13 53.679 0.03 . 1 . . . . 93 LEU CA . 19991 1 980 . 1 1 93 93 LEU CB C 13 40.299 0.03 . 1 . . . . 93 LEU CB . 19991 1 981 . 1 1 93 93 LEU CG C 13 26.368 0.03 . 1 . . . . 93 LEU CG . 19991 1 982 . 1 1 93 93 LEU CD1 C 13 25.878 0.03 . 1 . . . . 93 LEU CD1 . 19991 1 983 . 1 1 93 93 LEU CD2 C 13 20.512 0.03 . 1 . . . . 93 LEU CD2 . 19991 1 984 . 1 1 93 93 LEU N N 15 124.025 0.03 . 1 . . . . 93 LEU N . 19991 1 985 . 1 1 94 94 LEU H H 1 8.879 0.02 . 1 . . . . 94 LEU H . 19991 1 986 . 1 1 94 94 LEU HA H 1 4.530 0.02 . 1 . . . . 94 LEU HA . 19991 1 987 . 1 1 94 94 LEU HB2 H 1 1.652 0.02 . 2 . . . . 94 LEU HB2 . 19991 1 988 . 1 1 94 94 LEU HB3 H 1 1.247 0.02 . 2 . . . . 94 LEU HB3 . 19991 1 989 . 1 1 94 94 LEU HG H 1 1.469 0.02 . 1 . . . . 94 LEU HG . 19991 1 990 . 1 1 94 94 LEU HD11 H 1 0.906 0.02 . 2 . . . . 94 LEU HD1 . 19991 1 991 . 1 1 94 94 LEU HD12 H 1 0.906 0.02 . 2 . . . . 94 LEU HD1 . 19991 1 992 . 1 1 94 94 LEU HD13 H 1 0.906 0.02 . 2 . . . . 94 LEU HD1 . 19991 1 993 . 1 1 94 94 LEU HD21 H 1 0.930 0.02 . 2 . . . . 94 LEU HD2 . 19991 1 994 . 1 1 94 94 LEU HD22 H 1 0.930 0.02 . 2 . . . . 94 LEU HD2 . 19991 1 995 . 1 1 94 94 LEU HD23 H 1 0.930 0.02 . 2 . . . . 94 LEU HD2 . 19991 1 996 . 1 1 94 94 LEU C C 13 176.617 0.03 . 1 . . . . 94 LEU C . 19991 1 997 . 1 1 94 94 LEU CA C 13 53.500 0.03 . 1 . . . . 94 LEU CA . 19991 1 998 . 1 1 94 94 LEU CB C 13 44.577 0.03 . 1 . . . . 94 LEU CB . 19991 1 999 . 1 1 94 94 LEU CG C 13 27.441 0.03 . 1 . . . . 94 LEU CG . 19991 1 1000 . 1 1 94 94 LEU CD1 C 13 25.311 0.03 . 1 . . . . 94 LEU CD1 . 19991 1 1001 . 1 1 94 94 LEU CD2 C 13 24.272 0.03 . 1 . . . . 94 LEU CD2 . 19991 1 1002 . 1 1 94 94 LEU N N 15 129.818 0.03 . 1 . . . . 94 LEU N . 19991 1 1003 . 1 1 95 95 ASN H H 1 9.560 0.02 . 1 . . . . 95 ASN H . 19991 1 1004 . 1 1 95 95 ASN HA H 1 4.289 0.02 . 1 . . . . 95 ASN HA . 19991 1 1005 . 1 1 95 95 ASN HB2 H 1 2.792 0.02 . 2 . . . . 95 ASN HB2 . 19991 1 1006 . 1 1 95 95 ASN HB3 H 1 3.095 0.02 . 2 . . . . 95 ASN HB3 . 19991 1 1007 . 1 1 95 95 ASN C C 13 175.591 0.03 . 1 . . . . 95 ASN C . 19991 1 1008 . 1 1 95 95 ASN CA C 13 53.929 0.03 . 1 . . . . 95 ASN CA . 19991 1 1009 . 1 1 95 95 ASN CB C 13 37.539 0.03 . 1 . . . . 95 ASN CB . 19991 1 1010 . 1 1 95 95 ASN N N 15 127.534 0.03 . 1 . . . . 95 ASN N . 19991 1 1011 . 1 1 96 96 GLY H H 1 8.246 0.02 . 1 . . . . 96 GLY H . 19991 1 1012 . 1 1 96 96 GLY HA2 H 1 4.126 0.02 . 2 . . . . 96 GLY HA2 . 19991 1 1013 . 1 1 96 96 GLY HA3 H 1 3.505 0.02 . 2 . . . . 96 GLY HA3 . 19991 1 1014 . 1 1 96 96 GLY C C 13 173.166 0.03 . 1 . . . . 96 GLY C . 19991 1 1015 . 1 1 96 96 GLY CA C 13 45.491 0.03 . 1 . . . . 96 GLY CA . 19991 1 1016 . 1 1 96 96 GLY N N 15 103.334 0.03 . 1 . . . . 96 GLY N . 19991 1 1017 . 1 1 97 97 GLU H H 1 7.500 0.02 . 1 . . . . 97 GLU H . 19991 1 1018 . 1 1 97 97 GLU HA H 1 4.714 0.02 . 1 . . . . 97 GLU HA . 19991 1 1019 . 1 1 97 97 GLU HB2 H 1 1.947 0.02 . 2 . . . . 97 GLU HB2 . 19991 1 1020 . 1 1 97 97 GLU HB3 H 1 1.927 0.02 . 2 . . . . 97 GLU HB3 . 19991 1 1021 . 1 1 97 97 GLU HG2 H 1 2.227 0.02 . 2 . . . . 97 GLU HG2 . 19991 1 1022 . 1 1 97 97 GLU HG3 H 1 2.306 0.02 . 2 . . . . 97 GLU HG3 . 19991 1 1023 . 1 1 97 97 GLU C C 13 173.517 0.03 . 1 . . . . 97 GLU C . 19991 1 1024 . 1 1 97 97 GLU CA C 13 53.601 0.03 . 1 . . . . 97 GLU CA . 19991 1 1025 . 1 1 97 97 GLU CB C 13 33.760 0.03 . 1 . . . . 97 GLU CB . 19991 1 1026 . 1 1 97 97 GLU CG C 13 36.038 0.03 . 1 . . . . 97 GLU CG . 19991 1 1027 . 1 1 97 97 GLU N N 15 120.350 0.03 . 1 . . . . 97 GLU N . 19991 1 1028 . 1 1 98 98 TRP H H 1 7.993 0.02 . 1 . . . . 98 TRP H . 19991 1 1029 . 1 1 98 98 TRP HA H 1 5.186 0.02 . 1 . . . . 98 TRP HA . 19991 1 1030 . 1 1 98 98 TRP HB2 H 1 2.751 0.02 . 1 . . . . 98 TRP HB2 . 19991 1 1031 . 1 1 98 98 TRP HB3 H 1 2.751 0.02 . 1 . . . . 98 TRP HB3 . 19991 1 1032 . 1 1 98 98 TRP C C 13 177.230 0.03 . 1 . . . . 98 TRP C . 19991 1 1033 . 1 1 98 98 TRP CA C 13 56.244 0.03 . 1 . . . . 98 TRP CA . 19991 1 1034 . 1 1 98 98 TRP CB C 13 28.175 0.03 . 1 . . . . 98 TRP CB . 19991 1 1035 . 1 1 98 98 TRP N N 15 123.502 0.03 . 1 . . . . 98 TRP N . 19991 1 1036 . 1 1 99 99 VAL H H 1 10.015 0.02 . 1 . . . . 99 VAL H . 19991 1 1037 . 1 1 99 99 VAL HA H 1 5.303 0.02 . 1 . . . . 99 VAL HA . 19991 1 1038 . 1 1 99 99 VAL HB H 1 2.002 0.02 . 1 . . . . 99 VAL HB . 19991 1 1039 . 1 1 99 99 VAL HG11 H 1 1.023 0.02 . 2 . . . . 99 VAL HG1 . 19991 1 1040 . 1 1 99 99 VAL HG12 H 1 1.023 0.02 . 2 . . . . 99 VAL HG1 . 19991 1 1041 . 1 1 99 99 VAL HG13 H 1 1.023 0.02 . 2 . . . . 99 VAL HG1 . 19991 1 1042 . 1 1 99 99 VAL HG21 H 1 0.997 0.02 . 2 . . . . 99 VAL HG2 . 19991 1 1043 . 1 1 99 99 VAL HG22 H 1 0.997 0.02 . 2 . . . . 99 VAL HG2 . 19991 1 1044 . 1 1 99 99 VAL HG23 H 1 0.997 0.02 . 2 . . . . 99 VAL HG2 . 19991 1 1045 . 1 1 99 99 VAL C C 13 174.513 0.03 . 1 . . . . 99 VAL C . 19991 1 1046 . 1 1 99 99 VAL CA C 13 60.689 0.03 . 1 . . . . 99 VAL CA . 19991 1 1047 . 1 1 99 99 VAL CB C 13 36.902 0.03 . 1 . . . . 99 VAL CB . 19991 1 1048 . 1 1 99 99 VAL CG1 C 13 21.131 0.03 . 1 . . . . 99 VAL CG1 . 19991 1 1049 . 1 1 99 99 VAL CG2 C 13 21.257 0.03 . 1 . . . . 99 VAL CG2 . 19991 1 1050 . 1 1 99 99 VAL N N 15 127.939 0.03 . 1 . . . . 99 VAL N . 19991 1 1051 . 1 1 100 100 SER H H 1 9.277 0.02 . 1 . . . . 100 SER H . 19991 1 1052 . 1 1 100 100 SER HA H 1 4.998 0.02 . 1 . . . . 100 SER HA . 19991 1 1053 . 1 1 100 100 SER HB2 H 1 3.364 0.02 . 2 . . . . 100 SER HB2 . 19991 1 1054 . 1 1 100 100 SER HB3 H 1 4.109 0.02 . 2 . . . . 100 SER HB3 . 19991 1 1055 . 1 1 100 100 SER C C 13 174.513 0.03 . 1 . . . . 100 SER C . 19991 1 1056 . 1 1 100 100 SER CA C 13 55.913 0.03 . 1 . . . . 100 SER CA . 19991 1 1057 . 1 1 100 100 SER CB C 13 62.853 0.03 . 1 . . . . 100 SER CB . 19991 1 1058 . 1 1 100 100 SER N N 15 122.449 0.03 . 1 . . . . 100 SER N . 19991 1 1059 . 1 1 101 101 LEU H H 1 9.773 0.02 . 1 . . . . 101 LEU H . 19991 1 1060 . 1 1 101 101 LEU HA H 1 4.211 0.02 . 1 . . . . 101 LEU HA . 19991 1 1061 . 1 1 101 101 LEU HB2 H 1 1.832 0.02 . 1 . . . . 101 LEU HB2 . 19991 1 1062 . 1 1 101 101 LEU HG H 1 1.978 0.02 . 1 . . . . 101 LEU HG . 19991 1 1063 . 1 1 101 101 LEU HD11 H 1 1.056 0.02 . 2 . . . . 101 LEU HD1 . 19991 1 1064 . 1 1 101 101 LEU HD12 H 1 1.056 0.02 . 2 . . . . 101 LEU HD1 . 19991 1 1065 . 1 1 101 101 LEU HD13 H 1 1.056 0.02 . 2 . . . . 101 LEU HD1 . 19991 1 1066 . 1 1 101 101 LEU HD21 H 1 0.962 0.02 . 2 . . . . 101 LEU HD2 . 19991 1 1067 . 1 1 101 101 LEU HD22 H 1 0.962 0.02 . 2 . . . . 101 LEU HD2 . 19991 1 1068 . 1 1 101 101 LEU HD23 H 1 0.962 0.02 . 2 . . . . 101 LEU HD2 . 19991 1 1069 . 1 1 101 101 LEU C C 13 178.122 0.03 . 1 . . . . 101 LEU C . 19991 1 1070 . 1 1 101 101 LEU CA C 13 56.651 0.03 . 1 . . . . 101 LEU CA . 19991 1 1071 . 1 1 101 101 LEU CB C 13 40.538 0.03 . 1 . . . . 101 LEU CB . 19991 1 1072 . 1 1 101 101 LEU CG C 13 27.323 0.03 . 1 . . . . 101 LEU CG . 19991 1 1073 . 1 1 101 101 LEU CD1 C 13 26.142 0.03 . 1 . . . . 101 LEU CD1 . 19991 1 1074 . 1 1 101 101 LEU CD2 C 13 22.786 0.03 . 1 . . . . 101 LEU CD2 . 19991 1 1075 . 1 1 101 101 LEU N N 15 132.840 0.03 . 1 . . . . 101 LEU N . 19991 1 1076 . 1 1 102 102 ARG H H 1 8.037 0.02 . 1 . . . . 102 ARG H . 19991 1 1077 . 1 1 102 102 ARG HA H 1 4.201 0.02 . 1 . . . . 102 ARG HA . 19991 1 1078 . 1 1 102 102 ARG HB2 H 1 1.744 0.02 . 2 . . . . 102 ARG HB2 . 19991 1 1079 . 1 1 102 102 ARG HB3 H 1 1.844 0.02 . 2 . . . . 102 ARG HB3 . 19991 1 1080 . 1 1 102 102 ARG HG2 H 1 1.621 0.02 . 2 . . . . 102 ARG HG2 . 19991 1 1081 . 1 1 102 102 ARG HG3 H 1 1.687 0.02 . 2 . . . . 102 ARG HG3 . 19991 1 1082 . 1 1 102 102 ARG HD2 H 1 3.275 0.02 . 2 . . . . 102 ARG HD2 . 19991 1 1083 . 1 1 102 102 ARG HD3 H 1 3.218 0.02 . 2 . . . . 102 ARG HD3 . 19991 1 1084 . 1 1 102 102 ARG C C 13 177.320 0.03 . 1 . . . . 102 ARG C . 19991 1 1085 . 1 1 102 102 ARG CA C 13 58.247 0.03 . 1 . . . . 102 ARG CA . 19991 1 1086 . 1 1 102 102 ARG CB C 13 30.347 0.03 . 1 . . . . 102 ARG CB . 19991 1 1087 . 1 1 102 102 ARG CG C 13 26.976 0.03 . 1 . . . . 102 ARG CG . 19991 1 1088 . 1 1 102 102 ARG CD C 13 43.158 0.03 . 1 . . . . 102 ARG CD . 19991 1 1089 . 1 1 102 102 ARG N N 15 118.983 0.03 . 1 . . . . 102 ARG N . 19991 1 1090 . 1 1 103 103 ASN H H 1 7.403 0.02 . 1 . . . . 103 ASN H . 19991 1 1091 . 1 1 103 103 ASN HA H 1 4.954 0.02 . 1 . . . . 103 ASN HA . 19991 1 1092 . 1 1 103 103 ASN HB2 H 1 3.260 0.02 . 2 . . . . 103 ASN HB2 . 19991 1 1093 . 1 1 103 103 ASN HB3 H 1 2.801 0.02 . 2 . . . . 103 ASN HB3 . 19991 1 1094 . 1 1 103 103 ASN C C 13 176.281 0.03 . 1 . . . . 103 ASN C . 19991 1 1095 . 1 1 103 103 ASN CA C 13 52.247 0.03 . 1 . . . . 103 ASN CA . 19991 1 1096 . 1 1 103 103 ASN CB C 13 39.744 0.03 . 1 . . . . 103 ASN CB . 19991 1 1097 . 1 1 103 103 ASN N N 15 112.921 0.03 . 1 . . . . 103 ASN N . 19991 1 1098 . 1 1 104 104 GLY H H 1 8.469 0.02 . 1 . . . . 104 GLY H . 19991 1 1099 . 1 1 104 104 GLY HA2 H 1 4.256 0.02 . 2 . . . . 104 GLY HA2 . 19991 1 1100 . 1 1 104 104 GLY HA3 H 1 3.912 0.02 . 2 . . . . 104 GLY HA3 . 19991 1 1101 . 1 1 104 104 GLY C C 13 174.315 0.03 . 1 . . . . 104 GLY C . 19991 1 1102 . 1 1 104 104 GLY CA C 13 46.306 0.03 . 1 . . . . 104 GLY CA . 19991 1 1103 . 1 1 104 104 GLY N N 15 110.754 0.03 . 1 . . . . 104 GLY N . 19991 1 1104 . 1 1 105 105 THR H H 1 7.597 0.02 . 1 . . . . 105 THR H . 19991 1 1105 . 1 1 105 105 THR HA H 1 4.313 0.02 . 1 . . . . 105 THR HA . 19991 1 1106 . 1 1 105 105 THR HB H 1 4.218 0.02 . 1 . . . . 105 THR HB . 19991 1 1107 . 1 1 105 105 THR HG21 H 1 1.422 0.02 . 1 . . . . 105 THR HG2 . 19991 1 1108 . 1 1 105 105 THR HG22 H 1 1.422 0.02 . 1 . . . . 105 THR HG2 . 19991 1 1109 . 1 1 105 105 THR HG23 H 1 1.422 0.02 . 1 . . . . 105 THR HG2 . 19991 1 1110 . 1 1 105 105 THR C C 13 173.984 0.03 . 1 . . . . 105 THR C . 19991 1 1111 . 1 1 105 105 THR CA C 13 62.625 0.03 . 1 . . . . 105 THR CA . 19991 1 1112 . 1 1 105 105 THR CB C 13 70.609 0.03 . 1 . . . . 105 THR CB . 19991 1 1113 . 1 1 105 105 THR CG2 C 13 22.607 0.03 . 1 . . . . 105 THR CG2 . 19991 1 1114 . 1 1 105 105 THR N N 15 114.659 0.03 . 1 . . . . 105 THR N . 19991 1 1115 . 1 1 106 106 LYS H H 1 9.148 0.02 . 1 . . . . 106 LYS H . 19991 1 1116 . 1 1 106 106 LYS HA H 1 5.172 0.02 . 1 . . . . 106 LYS HA . 19991 1 1117 . 1 1 106 106 LYS HB2 H 1 1.933 0.02 . 2 . . . . 106 LYS HB2 . 19991 1 1118 . 1 1 106 106 LYS HB3 H 1 2.323 0.02 . 2 . . . . 106 LYS HB3 . 19991 1 1119 . 1 1 106 106 LYS HG2 H 1 1.546 0.02 . 2 . . . . 106 LYS HG2 . 19991 1 1120 . 1 1 106 106 LYS HG3 H 1 1.795 0.02 . 2 . . . . 106 LYS HG3 . 19991 1 1121 . 1 1 106 106 LYS HD2 H 1 1.860 0.02 . 1 . . . . 106 LYS HD2 . 19991 1 1122 . 1 1 106 106 LYS HD3 H 1 1.860 0.02 . 1 . . . . 106 LYS HD3 . 19991 1 1123 . 1 1 106 106 LYS HE2 H 1 3.012 0.02 . 2 . . . . 106 LYS HE2 . 19991 1 1124 . 1 1 106 106 LYS HE3 H 1 3.108 0.02 . 2 . . . . 106 LYS HE3 . 19991 1 1125 . 1 1 106 106 LYS C C 13 176.845 0.03 . 1 . . . . 106 LYS C . 19991 1 1126 . 1 1 106 106 LYS CA C 13 55.813 0.03 . 1 . . . . 106 LYS CA . 19991 1 1127 . 1 1 106 106 LYS CB C 13 33.173 0.03 . 1 . . . . 106 LYS CB . 19991 1 1128 . 1 1 106 106 LYS CG C 13 26.535 0.03 . 1 . . . . 106 LYS CG . 19991 1 1129 . 1 1 106 106 LYS CD C 13 29.264 0.03 . 1 . . . . 106 LYS CD . 19991 1 1130 . 1 1 106 106 LYS CE C 13 41.925 0.03 . 1 . . . . 106 LYS CE . 19991 1 1131 . 1 1 106 106 LYS N N 15 125.013 0.03 . 1 . . . . 106 LYS N . 19991 1 1132 . 1 1 107 107 LEU H H 1 7.296 0.02 . 1 . . . . 107 LEU H . 19991 1 1133 . 1 1 107 107 LEU HA H 1 3.260 0.02 . 1 . . . . 107 LEU HA . 19991 1 1134 . 1 1 107 107 LEU HB2 H 1 1.618 0.02 . 1 . . . . 107 LEU HB2 . 19991 1 1135 . 1 1 107 107 LEU HB3 H 1 1.618 0.02 . 1 . . . . 107 LEU HB3 . 19991 1 1136 . 1 1 107 107 LEU HG H 1 1.492 0.02 . 1 . . . . 107 LEU HG . 19991 1 1137 . 1 1 107 107 LEU HD11 H 1 0.517 0.02 . 2 . . . . 107 LEU HD1 . 19991 1 1138 . 1 1 107 107 LEU HD12 H 1 0.517 0.02 . 2 . . . . 107 LEU HD1 . 19991 1 1139 . 1 1 107 107 LEU HD13 H 1 0.517 0.02 . 2 . . . . 107 LEU HD1 . 19991 1 1140 . 1 1 107 107 LEU HD21 H 1 0.452 0.02 . 2 . . . . 107 LEU HD2 . 19991 1 1141 . 1 1 107 107 LEU HD22 H 1 0.452 0.02 . 2 . . . . 107 LEU HD2 . 19991 1 1142 . 1 1 107 107 LEU HD23 H 1 0.452 0.02 . 2 . . . . 107 LEU HD2 . 19991 1 1143 . 1 1 107 107 LEU C C 13 177.482 0.03 . 1 . . . . 107 LEU C . 19991 1 1144 . 1 1 107 107 LEU CA C 13 58.901 0.03 . 1 . . . . 107 LEU CA . 19991 1 1145 . 1 1 107 107 LEU CB C 13 40.125 0.03 . 1 . . . . 107 LEU CB . 19991 1 1146 . 1 1 107 107 LEU CG C 13 26.535 0.03 . 1 . . . . 107 LEU CG . 19991 1 1147 . 1 1 107 107 LEU CD1 C 13 23.605 0.03 . 1 . . . . 107 LEU CD1 . 19991 1 1148 . 1 1 107 107 LEU CD2 C 13 26.477 0.03 . 1 . . . . 107 LEU CD2 . 19991 1 1149 . 1 1 107 107 LEU N N 15 129.722 0.03 . 1 . . . . 107 LEU N . 19991 1 1150 . 1 1 108 108 THR H H 1 9.375 0.02 . 1 . . . . 108 THR H . 19991 1 1151 . 1 1 108 108 THR HA H 1 3.702 0.02 . 1 . . . . 108 THR HA . 19991 1 1152 . 1 1 108 108 THR HB H 1 4.187 0.02 . 1 . . . . 108 THR HB . 19991 1 1153 . 1 1 108 108 THR HG21 H 1 1.379 0.02 . 1 . . . . 108 THR HG2 . 19991 1 1154 . 1 1 108 108 THR HG22 H 1 1.379 0.02 . 1 . . . . 108 THR HG2 . 19991 1 1155 . 1 1 108 108 THR HG23 H 1 1.379 0.02 . 1 . . . . 108 THR HG2 . 19991 1 1156 . 1 1 108 108 THR CA C 13 66.511 0.03 . 1 . . . . 108 THR CA . 19991 1 1157 . 1 1 108 108 THR CB C 13 69.474 0.03 . 1 . . . . 108 THR CB . 19991 1 1158 . 1 1 108 108 THR CG2 C 13 22.585 0.03 . 1 . . . . 108 THR CG2 . 19991 1 1159 . 1 1 108 108 THR N N 15 114.352 0.03 . 1 . . . . 108 THR N . 19991 1 1160 . 1 1 109 109 ASP H H 1 6.847 0.02 . 1 . . . . 109 ASP H . 19991 1 1161 . 1 1 109 109 ASP HA H 1 4.413 0.02 . 1 . . . . 109 ASP HA . 19991 1 1162 . 1 1 109 109 ASP HB2 H 1 2.868 0.02 . 1 . . . . 109 ASP HB2 . 19991 1 1163 . 1 1 109 109 ASP C C 13 178.177 0.03 . 1 . . . . 109 ASP C . 19991 1 1164 . 1 1 109 109 ASP CA C 13 57.460 0.03 . 1 . . . . 109 ASP CA . 19991 1 1165 . 1 1 109 109 ASP CB C 13 39.894 0.03 . 1 . . . . 109 ASP CB . 19991 1 1166 . 1 1 109 109 ASP N N 15 122.208 0.03 . 1 . . . . 109 ASP N . 19991 1 1167 . 1 1 110 110 ILE H H 1 7.951 0.02 . 1 . . . . 110 ILE H . 19991 1 1168 . 1 1 110 110 ILE HA H 1 4.038 0.02 . 1 . . . . 110 ILE HA . 19991 1 1169 . 1 1 110 110 ILE HB H 1 1.894 0.02 . 1 . . . . 110 ILE HB . 19991 1 1170 . 1 1 110 110 ILE HG12 H 1 1.339 0.02 . 1 . . . . 110 ILE HG12 . 19991 1 1171 . 1 1 110 110 ILE HG13 H 1 1.339 0.02 . 1 . . . . 110 ILE HG13 . 19991 1 1172 . 1 1 110 110 ILE HG21 H 1 1.066 0.02 . 1 . . . . 110 ILE HG2 . 19991 1 1173 . 1 1 110 110 ILE HG22 H 1 1.066 0.02 . 1 . . . . 110 ILE HG2 . 19991 1 1174 . 1 1 110 110 ILE HG23 H 1 1.066 0.02 . 1 . . . . 110 ILE HG2 . 19991 1 1175 . 1 1 110 110 ILE HD11 H 1 1.087 0.02 . 1 . . . . 110 ILE HD1 . 19991 1 1176 . 1 1 110 110 ILE HD12 H 1 1.087 0.02 . 1 . . . . 110 ILE HD1 . 19991 1 1177 . 1 1 110 110 ILE HD13 H 1 1.087 0.02 . 1 . . . . 110 ILE HD1 . 19991 1 1178 . 1 1 110 110 ILE C C 13 177.307 0.03 . 1 . . . . 110 ILE C . 19991 1 1179 . 1 1 110 110 ILE CA C 13 64.298 0.03 . 1 . . . . 110 ILE CA . 19991 1 1180 . 1 1 110 110 ILE CB C 13 38.347 0.03 . 1 . . . . 110 ILE CB . 19991 1 1181 . 1 1 110 110 ILE CG1 C 13 28.796 0.03 . 1 . . . . 110 ILE CG1 . 19991 1 1182 . 1 1 110 110 ILE CG2 C 13 16.974 0.03 . 1 . . . . 110 ILE CG2 . 19991 1 1183 . 1 1 110 110 ILE CD1 C 13 13.930 0.03 . 1 . . . . 110 ILE CD1 . 19991 1 1184 . 1 1 110 110 ILE N N 15 122.781 0.03 . 1 . . . . 110 ILE N . 19991 1 1185 . 1 1 111 111 LEU H H 1 7.928 0.02 . 1 . . . . 111 LEU H . 19991 1 1186 . 1 1 111 111 LEU HA H 1 4.007 0.02 . 1 . . . . 111 LEU HA . 19991 1 1187 . 1 1 111 111 LEU HB2 H 1 1.506 0.02 . 1 . . . . 111 LEU HB2 . 19991 1 1188 . 1 1 111 111 LEU HB3 H 1 1.506 0.02 . 1 . . . . 111 LEU HB3 . 19991 1 1189 . 1 1 111 111 LEU HG H 1 1.698 0.02 . 1 . . . . 111 LEU HG . 19991 1 1190 . 1 1 111 111 LEU HD11 H 1 0.845 0.02 . 2 . . . . 111 LEU HD1 . 19991 1 1191 . 1 1 111 111 LEU HD12 H 1 0.845 0.02 . 2 . . . . 111 LEU HD1 . 19991 1 1192 . 1 1 111 111 LEU HD13 H 1 0.845 0.02 . 2 . . . . 111 LEU HD1 . 19991 1 1193 . 1 1 111 111 LEU HD21 H 1 0.847 0.02 . 2 . . . . 111 LEU HD2 . 19991 1 1194 . 1 1 111 111 LEU HD22 H 1 0.847 0.02 . 2 . . . . 111 LEU HD2 . 19991 1 1195 . 1 1 111 111 LEU HD23 H 1 0.847 0.02 . 2 . . . . 111 LEU HD2 . 19991 1 1196 . 1 1 111 111 LEU C C 13 178.626 0.03 . 1 . . . . 111 LEU C . 19991 1 1197 . 1 1 111 111 LEU CA C 13 57.878 0.03 . 1 . . . . 111 LEU CA . 19991 1 1198 . 1 1 111 111 LEU CB C 13 42.219 0.03 . 1 . . . . 111 LEU CB . 19991 1 1199 . 1 1 111 111 LEU CG C 13 26.996 0.03 . 1 . . . . 111 LEU CG . 19991 1 1200 . 1 1 111 111 LEU CD1 C 13 25.793 0.03 . 1 . . . . 111 LEU CD1 . 19991 1 1201 . 1 1 111 111 LEU CD2 C 13 24.434 0.03 . 1 . . . . 111 LEU CD2 . 19991 1 1202 . 1 1 111 111 LEU N N 15 120.309 0.03 . 1 . . . . 111 LEU N . 19991 1 1203 . 1 1 112 112 THR H H 1 8.108 0.02 . 1 . . . . 112 THR H . 19991 1 1204 . 1 1 112 112 THR HA H 1 3.733 0.02 . 1 . . . . 112 THR HA . 19991 1 1205 . 1 1 112 112 THR HB H 1 4.387 0.02 . 1 . . . . 112 THR HB . 19991 1 1206 . 1 1 112 112 THR HG21 H 1 1.294 0.02 . 1 . . . . 112 THR HG2 . 19991 1 1207 . 1 1 112 112 THR HG22 H 1 1.294 0.02 . 1 . . . . 112 THR HG2 . 19991 1 1208 . 1 1 112 112 THR HG23 H 1 1.294 0.02 . 1 . . . . 112 THR HG2 . 19991 1 1209 . 1 1 112 112 THR C C 13 178.673 0.03 . 1 . . . . 112 THR C . 19991 1 1210 . 1 1 112 112 THR CA C 13 67.309 0.03 . 1 . . . . 112 THR CA . 19991 1 1211 . 1 1 112 112 THR CB C 13 68.724 0.03 . 1 . . . . 112 THR CB . 19991 1 1212 . 1 1 112 112 THR CG2 C 13 21.149 0.03 . 1 . . . . 112 THR CG2 . 19991 1 1213 . 1 1 112 112 THR N N 15 114.358 0.03 . 1 . . . . 112 THR N . 19991 1 1214 . 1 1 113 113 GLU H H 1 8.023 0.02 . 1 . . . . 113 GLU H . 19991 1 1215 . 1 1 113 113 GLU HA H 1 4.061 0.02 . 1 . . . . 113 GLU HA . 19991 1 1216 . 1 1 113 113 GLU HB2 H 1 2.287 0.02 . 1 . . . . 113 GLU HB2 . 19991 1 1217 . 1 1 113 113 GLU HB3 H 1 2.287 0.02 . 1 . . . . 113 GLU HB3 . 19991 1 1218 . 1 1 113 113 GLU HG2 H 1 2.507 0.02 . 2 . . . . 113 GLU HG2 . 19991 1 1219 . 1 1 113 113 GLU HG3 H 1 2.355 0.02 . 2 . . . . 113 GLU HG3 . 19991 1 1220 . 1 1 113 113 GLU C C 13 179.556 0.03 . 1 . . . . 113 GLU C . 19991 1 1221 . 1 1 113 113 GLU CA C 13 59.437 0.03 . 1 . . . . 113 GLU CA . 19991 1 1222 . 1 1 113 113 GLU CB C 13 29.393 0.03 . 1 . . . . 113 GLU CB . 19991 1 1223 . 1 1 113 113 GLU CG C 13 35.948 0.03 . 1 . . . . 113 GLU CG . 19991 1 1224 . 1 1 113 113 GLU N N 15 121.799 0.03 . 1 . . . . 113 GLU N . 19991 1 1225 . 1 1 114 114 GLU H H 1 8.235 0.02 . 1 . . . . 114 GLU H . 19991 1 1226 . 1 1 114 114 GLU HA H 1 3.930 0.02 . 1 . . . . 114 GLU HA . 19991 1 1227 . 1 1 114 114 GLU HB2 H 1 2.174 0.02 . 1 . . . . 114 GLU HB2 . 19991 1 1228 . 1 1 114 114 GLU HB3 H 1 2.174 0.02 . 1 . . . . 114 GLU HB3 . 19991 1 1229 . 1 1 114 114 GLU HG2 H 1 3.176 0.02 . 2 . . . . 114 GLU HG2 . 19991 1 1230 . 1 1 114 114 GLU HG3 H 1 2.146 0.02 . 2 . . . . 114 GLU HG3 . 19991 1 1231 . 1 1 114 114 GLU C C 13 178.516 0.03 . 1 . . . . 114 GLU C . 19991 1 1232 . 1 1 114 114 GLU CA C 13 61.210 0.03 . 1 . . . . 114 GLU CA . 19991 1 1233 . 1 1 114 114 GLU CB C 13 28.035 0.03 . 1 . . . . 114 GLU CB . 19991 1 1234 . 1 1 114 114 GLU CG C 13 37.569 0.03 . 1 . . . . 114 GLU CG . 19991 1 1235 . 1 1 114 114 GLU N N 15 120.223 0.03 . 1 . . . . 114 GLU N . 19991 1 1236 . 1 1 115 115 VAL H H 1 8.617 0.02 . 1 . . . . 115 VAL H . 19991 1 1237 . 1 1 115 115 VAL HA H 1 3.552 0.02 . 1 . . . . 115 VAL HA . 19991 1 1238 . 1 1 115 115 VAL HB H 1 2.183 0.02 . 1 . . . . 115 VAL HB . 19991 1 1239 . 1 1 115 115 VAL HG11 H 1 0.862 0.02 . 2 . . . . 115 VAL HG1 . 19991 1 1240 . 1 1 115 115 VAL HG12 H 1 0.862 0.02 . 2 . . . . 115 VAL HG1 . 19991 1 1241 . 1 1 115 115 VAL HG13 H 1 0.862 0.02 . 2 . . . . 115 VAL HG1 . 19991 1 1242 . 1 1 115 115 VAL HG21 H 1 0.880 0.02 . 2 . . . . 115 VAL HG2 . 19991 1 1243 . 1 1 115 115 VAL HG22 H 1 0.880 0.02 . 2 . . . . 115 VAL HG2 . 19991 1 1244 . 1 1 115 115 VAL HG23 H 1 0.880 0.02 . 2 . . . . 115 VAL HG2 . 19991 1 1245 . 1 1 115 115 VAL C C 13 178.346 0.03 . 1 . . . . 115 VAL C . 19991 1 1246 . 1 1 115 115 VAL CA C 13 67.143 0.03 . 1 . . . . 115 VAL CA . 19991 1 1247 . 1 1 115 115 VAL CB C 13 31.078 0.03 . 1 . . . . 115 VAL CB . 19991 1 1248 . 1 1 115 115 VAL CG1 C 13 22.833 0.03 . 1 . . . . 115 VAL CG1 . 19991 1 1249 . 1 1 115 115 VAL CG2 C 13 22.207 0.03 . 1 . . . . 115 VAL CG2 . 19991 1 1250 . 1 1 115 115 VAL N N 15 120.309 0.03 . 1 . . . . 115 VAL N . 19991 1 1251 . 1 1 116 116 GLU H H 1 8.234 0.02 . 1 . . . . 116 GLU H . 19991 1 1252 . 1 1 116 116 GLU HA H 1 3.921 0.02 . 1 . . . . 116 GLU HA . 19991 1 1253 . 1 1 116 116 GLU HB2 H 1 2.216 0.02 . 1 . . . . 116 GLU HB2 . 19991 1 1254 . 1 1 116 116 GLU HB3 H 1 2.216 0.02 . 1 . . . . 116 GLU HB3 . 19991 1 1255 . 1 1 116 116 GLU HG2 H 1 2.130 0.02 . 1 . . . . 116 GLU HG2 . 19991 1 1256 . 1 1 116 116 GLU HG3 H 1 2.130 0.02 . 1 . . . . 116 GLU HG3 . 19991 1 1257 . 1 1 116 116 GLU C C 13 179.923 0.03 . 1 . . . . 116 GLU C . 19991 1 1258 . 1 1 116 116 GLU CA C 13 59.938 0.03 . 1 . . . . 116 GLU CA . 19991 1 1259 . 1 1 116 116 GLU CB C 13 28.716 0.03 . 1 . . . . 116 GLU CB . 19991 1 1260 . 1 1 116 116 GLU N N 15 119.670 0.03 . 1 . . . . 116 GLU N . 19991 1 1261 . 1 1 117 117 LYS H H 1 7.837 0.02 . 1 . . . . 117 LYS H . 19991 1 1262 . 1 1 117 117 LYS HA H 1 4.118 0.02 . 1 . . . . 117 LYS HA . 19991 1 1263 . 1 1 117 117 LYS HB2 H 1 2.348 0.02 . 2 . . . . 117 LYS HB2 . 19991 1 1264 . 1 1 117 117 LYS HB3 H 1 2.212 0.02 . 2 . . . . 117 LYS HB3 . 19991 1 1265 . 1 1 117 117 LYS HG2 H 1 1.874 0.02 . 2 . . . . 117 LYS HG2 . 19991 1 1266 . 1 1 117 117 LYS HG3 H 1 1.628 0.02 . 2 . . . . 117 LYS HG3 . 19991 1 1267 . 1 1 117 117 LYS HD2 H 1 1.699 0.02 . 2 . . . . 117 LYS HD2 . 19991 1 1268 . 1 1 117 117 LYS HD3 H 1 1.756 0.02 . 2 . . . . 117 LYS HD3 . 19991 1 1269 . 1 1 117 117 LYS HE2 H 1 3.032 0.02 . 1 . . . . 117 LYS HE2 . 19991 1 1270 . 1 1 117 117 LYS HE3 H 1 3.032 0.02 . 1 . . . . 117 LYS HE3 . 19991 1 1271 . 1 1 117 117 LYS C C 13 179.212 0.03 . 1 . . . . 117 LYS C . 19991 1 1272 . 1 1 117 117 LYS CA C 13 59.528 0.03 . 1 . . . . 117 LYS CA . 19991 1 1273 . 1 1 117 117 LYS CB C 13 32.284 0.03 . 1 . . . . 117 LYS CB . 19991 1 1274 . 1 1 117 117 LYS CG C 13 25.818 0.03 . 1 . . . . 117 LYS CG . 19991 1 1275 . 1 1 117 117 LYS CD C 13 29.468 0.03 . 1 . . . . 117 LYS CD . 19991 1 1276 . 1 1 117 117 LYS CE C 13 41.876 0.03 . 1 . . . . 117 LYS CE . 19991 1 1277 . 1 1 117 117 LYS N N 15 121.242 0.03 . 1 . . . . 117 LYS N . 19991 1 1278 . 1 1 118 118 ALA H H 1 8.001 0.02 . 1 . . . . 118 ALA H . 19991 1 1279 . 1 1 118 118 ALA HA H 1 3.779 0.02 . 1 . . . . 118 ALA HA . 19991 1 1280 . 1 1 118 118 ALA HB1 H 1 1.395 0.02 . 1 . . . . 118 ALA HB . 19991 1 1281 . 1 1 118 118 ALA HB2 H 1 1.395 0.02 . 1 . . . . 118 ALA HB . 19991 1 1282 . 1 1 118 118 ALA HB3 H 1 1.395 0.02 . 1 . . . . 118 ALA HB . 19991 1 1283 . 1 1 118 118 ALA C C 13 179.923 0.03 . 1 . . . . 118 ALA C . 19991 1 1284 . 1 1 118 118 ALA CA C 13 54.825 0.03 . 1 . . . . 118 ALA CA . 19991 1 1285 . 1 1 118 118 ALA CB C 13 18.514 0.03 . 1 . . . . 118 ALA CB . 19991 1 1286 . 1 1 118 118 ALA N N 15 123.197 0.03 . 1 . . . . 118 ALA N . 19991 1 1287 . 1 1 119 119 ILE H H 1 7.994 0.02 . 1 . . . . 119 ILE H . 19991 1 1288 . 1 1 119 119 ILE HA H 1 4.034 0.02 . 1 . . . . 119 ILE HA . 19991 1 1289 . 1 1 119 119 ILE HB H 1 1.758 0.02 . 1 . . . . 119 ILE HB . 19991 1 1290 . 1 1 119 119 ILE HG12 H 1 1.607 0.02 . 1 . . . . 119 ILE HG12 . 19991 1 1291 . 1 1 119 119 ILE HG13 H 1 1.607 0.02 . 1 . . . . 119 ILE HG13 . 19991 1 1292 . 1 1 119 119 ILE HG21 H 1 0.551 0.02 . 1 . . . . 119 ILE HG2 . 19991 1 1293 . 1 1 119 119 ILE HG22 H 1 0.551 0.02 . 1 . . . . 119 ILE HG2 . 19991 1 1294 . 1 1 119 119 ILE HG23 H 1 0.551 0.02 . 1 . . . . 119 ILE HG2 . 19991 1 1295 . 1 1 119 119 ILE HD11 H 1 0.628 0.02 . 1 . . . . 119 ILE HD1 . 19991 1 1296 . 1 1 119 119 ILE HD12 H 1 0.628 0.02 . 1 . . . . 119 ILE HD1 . 19991 1 1297 . 1 1 119 119 ILE HD13 H 1 0.628 0.02 . 1 . . . . 119 ILE HD1 . 19991 1 1298 . 1 1 119 119 ILE C C 13 177.936 0.03 . 1 . . . . 119 ILE C . 19991 1 1299 . 1 1 119 119 ILE CA C 13 63.478 0.03 . 1 . . . . 119 ILE CA . 19991 1 1300 . 1 1 119 119 ILE CB C 13 37.905 0.03 . 1 . . . . 119 ILE CB . 19991 1 1301 . 1 1 119 119 ILE CG1 C 13 28.144 0.03 . 1 . . . . 119 ILE CG1 . 19991 1 1302 . 1 1 119 119 ILE CG2 C 13 17.043 0.03 . 1 . . . . 119 ILE CG2 . 19991 1 1303 . 1 1 119 119 ILE CD1 C 13 13.661 0.03 . 1 . . . . 119 ILE CD1 . 19991 1 1304 . 1 1 119 119 ILE N N 15 117.968 0.03 . 1 . . . . 119 ILE N . 19991 1 1305 . 1 1 120 120 SER H H 1 7.968 0.02 . 1 . . . . 120 SER H . 19991 1 1306 . 1 1 120 120 SER HA H 1 4.315 0.02 . 1 . . . . 120 SER HA . 19991 1 1307 . 1 1 120 120 SER HB2 H 1 4.065 0.02 . 1 . . . . 120 SER HB2 . 19991 1 1308 . 1 1 120 120 SER HB3 H 1 4.065 0.02 . 1 . . . . 120 SER HB3 . 19991 1 1309 . 1 1 120 120 SER C C 13 177.877 0.03 . 1 . . . . 120 SER C . 19991 1 1310 . 1 1 120 120 SER CA C 13 60.053 0.03 . 1 . . . . 120 SER CA . 19991 1 1311 . 1 1 120 120 SER CB C 13 63.458 0.03 . 1 . . . . 120 SER CB . 19991 1 1312 . 1 1 120 120 SER N N 15 117.247 0.03 . 1 . . . . 120 SER N . 19991 1 1313 . 1 1 121 121 LYS H H 1 7.757 0.02 . 1 . . . . 121 LYS H . 19991 1 1314 . 1 1 121 121 LYS HA H 1 4.327 0.02 . 1 . . . . 121 LYS HA . 19991 1 1315 . 1 1 121 121 LYS HB2 H 1 2.031 0.02 . 2 . . . . 121 LYS HB2 . 19991 1 1316 . 1 1 121 121 LYS HB3 H 1 1.960 0.02 . 2 . . . . 121 LYS HB3 . 19991 1 1317 . 1 1 121 121 LYS HG2 H 1 1.602 0.02 . 1 . . . . 121 LYS HG2 . 19991 1 1318 . 1 1 121 121 LYS HG3 H 1 1.602 0.02 . 1 . . . . 121 LYS HG3 . 19991 1 1319 . 1 1 121 121 LYS HD2 H 1 1.773 0.02 . 1 . . . . 121 LYS HD2 . 19991 1 1320 . 1 1 121 121 LYS HD3 H 1 1.773 0.02 . 1 . . . . 121 LYS HD3 . 19991 1 1321 . 1 1 121 121 LYS HE2 H 1 3.103 0.02 . 2 . . . . 121 LYS HE2 . 19991 1 1322 . 1 1 121 121 LYS HE3 H 1 3.121 0.02 . 2 . . . . 121 LYS HE3 . 19991 1 1323 . 1 1 121 121 LYS C C 13 176.669 0.03 . 1 . . . . 121 LYS C . 19991 1 1324 . 1 1 121 121 LYS CA C 13 56.876 0.03 . 1 . . . . 121 LYS CA . 19991 1 1325 . 1 1 121 121 LYS CB C 13 32.045 0.03 . 1 . . . . 121 LYS CB . 19991 1 1326 . 1 1 121 121 LYS CG C 13 24.672 0.03 . 1 . . . . 121 LYS CG . 19991 1 1327 . 1 1 121 121 LYS CD C 13 28.986 0.03 . 1 . . . . 121 LYS CD . 19991 1 1328 . 1 1 121 121 LYS CE C 13 41.928 0.03 . 1 . . . . 121 LYS CE . 19991 1 1329 . 1 1 121 121 LYS N N 15 122.452 0.03 . 1 . . . . 121 LYS N . 19991 1 1330 . 1 1 122 122 SER H H 1 8.023 0.02 . 1 . . . . 122 SER H . 19991 1 1331 . 1 1 122 122 SER HA H 1 4.380 0.02 . 1 . . . . 122 SER HA . 19991 1 1332 . 1 1 122 122 SER HB2 H 1 3.958 0.02 . 1 . . . . 122 SER HB2 . 19991 1 1333 . 1 1 122 122 SER HB3 H 1 3.958 0.02 . 1 . . . . 122 SER HB3 . 19991 1 1334 . 1 1 122 122 SER C C 13 173.683 0.03 . 1 . . . . 122 SER C . 19991 1 1335 . 1 1 122 122 SER CA C 13 58.632 0.03 . 1 . . . . 122 SER CA . 19991 1 1336 . 1 1 122 122 SER CB C 13 64.187 0.03 . 1 . . . . 122 SER CB . 19991 1 1337 . 1 1 122 122 SER N N 15 117.428 0.03 . 1 . . . . 122 SER N . 19991 1 1338 . 1 1 123 123 GLN H H 1 7.856 0.02 . 1 . . . . 123 GLN H . 19991 1 1339 . 1 1 123 123 GLN HA H 1 4.224 0.02 . 1 . . . . 123 GLN HA . 19991 1 1340 . 1 1 123 123 GLN HB2 H 1 2.056 0.02 . 2 . . . . 123 GLN HB2 . 19991 1 1341 . 1 1 123 123 GLN HB3 H 1 2.236 0.02 . 2 . . . . 123 GLN HB3 . 19991 1 1342 . 1 1 123 123 GLN HG2 H 1 2.424 0.02 . 1 . . . . 123 GLN HG2 . 19991 1 1343 . 1 1 123 123 GLN HG3 H 1 2.424 0.02 . 1 . . . . 123 GLN HG3 . 19991 1 1344 . 1 1 123 123 GLN C C 13 180.591 0.03 . 1 . . . . 123 GLN C . 19991 1 1345 . 1 1 123 123 GLN CA C 13 57.469 0.03 . 1 . . . . 123 GLN CA . 19991 1 1346 . 1 1 123 123 GLN CB C 13 30.371 0.03 . 1 . . . . 123 GLN CB . 19991 1 1347 . 1 1 123 123 GLN CG C 13 34.324 0.03 . 1 . . . . 123 GLN CG . 19991 1 1348 . 1 1 123 123 GLN N N 15 128.036 0.03 . 1 . . . . 123 GLN N . 19991 1 stop_ save_