data_17068 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17068 _Entry.Title ; Assigment of the 1H, 13C, and 15N resonances of the yeast frataxin (Yfh1) under cold denaturation ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-21 _Entry.Accession_date 2010-07-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'For the first time we report the NMR assigment of a natural protein under its cold denaturated state' _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 Miquel Adrover . . . 17068 2 Annalisa Pastore . . . 17068 3 'Piero Andrea' Temussi . . . 17068 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'University of Naples' . 17068 . . 'University of Balearic Islands' . 17068 1 . 'National Institute for Medical Research' . 17068 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17068 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 210 17068 '15N chemical shifts' 92 17068 '1H chemical shifts' 592 17068 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-11-18 2010-07-21 update BMRB 'update entry citation' 17068 1 . . 2010-11-09 2010-07-21 original author 'original release' 17068 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6356 'Yfh1 298K chemical shift assignment' 17068 PDB 2ga5 'Yfh1 298K solution structure' 17068 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17068 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20979399 _Citation.Full_citation . _Citation.Title 'Understanding cold denaturation: the case study of yfh1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full 'Journal of the American Chemical Society' _Citation.Journal_volume 132 _Citation.Journal_issue 45 _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 16240 _Citation.Page_last 16246 _Citation.Year 2010 _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 Miquel Adrover . . . 17068 1 2 Veronica Esposito . . . 17068 1 3 Gabriel Martorell . . . 17068 1 4 Annalisa Pastore . . . 17068 1 5 'Piero Andrea' Temussi . . . 17068 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Cold denaturation' 17068 1 Frataxin 17068 1 'Residual secondary structure' 17068 1 'Unfolded state' 17068 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17068 _Assembly.ID 1 _Assembly.Name 'Yeast frataxin' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 13783.4 _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 Frataxin 1 $Yeast_frataxin_Yfh1 A . yes unfolded yes yes 1 . 'We have detected several species for Yfh1 under cold denaturated state, probably due to proline cis/trans isomerization' 17068 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes BMRB 6356 . . 'solution NMR' . 'The same protein' 'NMR assigment of the folded Yeast frataxin' 17068 1 yes PDB 1ekg . . X-ray 1.80 Ortholog 'Mature human frataxin' 17068 1 yes PDB 1soy . . 'solution NMR' . Ortholog 'Solution structure of the bacterial frataxin' 17068 1 yes PDB 2fql . . X-ray 3.01 'The same protein' 'Crystal structure of trimeric yeast frataxin' 17068 1 yes PDB 2ga5 . . 'solution NMR' . 'The same protein' 'NMR structure of the folded Yeast frataxin in solution' 17068 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Iron chaperon' 17068 1 'Regulator/Inhibitor of the Fe-S cluster formation' 17068 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Yeast_frataxin_Yfh1 _Entity.Sf_category entity _Entity.Sf_framecode Yeast_frataxin_Yfh1 _Entity.Entry_ID 17068 _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 yes _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 'Full length yeast frataxin' _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 yes BMRB 6356 . Yfh1 . . . . . . . . . . . . . . 17068 1 2 yes PDB 2fql . Yfh1 . . . . . . . . . . . . . . 17068 1 3 yes PDB 2ga5 . Yfh1 . . . . . . . . . . . . . . 17068 1 4 no BMRB 17641 . Yfh1 . . . . . 100.00 123 100.00 100.00 6.11e-83 . . . . 17068 1 5 no BMRB 19991 . Yeast_Frataxin_Yfh1 . . . . . 100.00 123 100.00 100.00 6.11e-83 . . . . 17068 1 6 no PDB 2FQL . "Crystal Structure Of Trimeric Frataxin From The Yeast Saccharomyces Cerevisiae" . . . . . 100.00 123 98.37 99.19 4.87e-81 . . . . 17068 1 7 no PDB 2GA5 . "Yeast Frataxin" . . . . . 100.00 123 100.00 100.00 6.11e-83 . . . . 17068 1 8 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 . . . . 17068 1 9 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 . . . . 17068 1 10 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 . . . . 17068 1 11 no DBJ GAA22128 . "K7_Yfh1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 17068 1 12 no EMBL CAA98688 . "YFH1 [Saccharomyces cerevisiae]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 17068 1 13 no EMBL CAY78388 . "Yfh1p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 17068 1 14 no GB AAS56486 . "YDL120W [Saccharomyces cerevisiae]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 17068 1 15 no GB AHY74893 . "Yfh1p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 17068 1 16 no GB AJP37633 . "Yfh1p [Saccharomyces cerevisiae YJM1078]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 17068 1 17 no GB AJU57746 . "Yfh1p [Saccharomyces cerevisiae YJM189]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 17068 1 18 no GB AJU58449 . "Yfh1p [Saccharomyces cerevisiae YJM193]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 17068 1 19 no REF NP_010163 . "ferroxidase [Saccharomyces cerevisiae S288c]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 17068 1 20 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 . . . . 17068 1 21 no TPG DAA11740 . "TPA: ferroxidase [Saccharomyces cerevisiae S288c]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 17068 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Inhibitor/regulator of Fe-S cluster formation' 17068 1 'Iron chaperon' 17068 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17068 1 2 . GLU . 17068 1 3 . SER . 17068 1 4 . SER . 17068 1 5 . THR . 17068 1 6 . ASP . 17068 1 7 . GLY . 17068 1 8 . GLN . 17068 1 9 . VAL . 17068 1 10 . VAL . 17068 1 11 . PRO . 17068 1 12 . GLN . 17068 1 13 . GLU . 17068 1 14 . VAL . 17068 1 15 . LEU . 17068 1 16 . ASN . 17068 1 17 . LEU . 17068 1 18 . PRO . 17068 1 19 . LEU . 17068 1 20 . GLU . 17068 1 21 . LYS . 17068 1 22 . TYR . 17068 1 23 . HIS . 17068 1 24 . GLU . 17068 1 25 . GLU . 17068 1 26 . ALA . 17068 1 27 . ASP . 17068 1 28 . ASP . 17068 1 29 . TYR . 17068 1 30 . LEU . 17068 1 31 . ASP . 17068 1 32 . HIS . 17068 1 33 . LEU . 17068 1 34 . LEU . 17068 1 35 . ASP . 17068 1 36 . SER . 17068 1 37 . LEU . 17068 1 38 . GLU . 17068 1 39 . GLU . 17068 1 40 . LEU . 17068 1 41 . SER . 17068 1 42 . GLU . 17068 1 43 . ALA . 17068 1 44 . HIS . 17068 1 45 . PRO . 17068 1 46 . ASP . 17068 1 47 . CYS . 17068 1 48 . ILE . 17068 1 49 . PRO . 17068 1 50 . ASP . 17068 1 51 . VAL . 17068 1 52 . GLU . 17068 1 53 . LEU . 17068 1 54 . SER . 17068 1 55 . HIS . 17068 1 56 . GLY . 17068 1 57 . VAL . 17068 1 58 . MET . 17068 1 59 . THR . 17068 1 60 . LEU . 17068 1 61 . GLU . 17068 1 62 . ILE . 17068 1 63 . PRO . 17068 1 64 . ALA . 17068 1 65 . PHE . 17068 1 66 . GLY . 17068 1 67 . THR . 17068 1 68 . TYR . 17068 1 69 . VAL . 17068 1 70 . ILE . 17068 1 71 . ASN . 17068 1 72 . LYS . 17068 1 73 . GLN . 17068 1 74 . PRO . 17068 1 75 . PRO . 17068 1 76 . ASN . 17068 1 77 . LYS . 17068 1 78 . GLN . 17068 1 79 . ILE . 17068 1 80 . TRP . 17068 1 81 . LEU . 17068 1 82 . ALA . 17068 1 83 . SER . 17068 1 84 . PRO . 17068 1 85 . LEU . 17068 1 86 . SER . 17068 1 87 . GLY . 17068 1 88 . PRO . 17068 1 89 . ASN . 17068 1 90 . ARG . 17068 1 91 . PHE . 17068 1 92 . ASP . 17068 1 93 . LEU . 17068 1 94 . LEU . 17068 1 95 . ASN . 17068 1 96 . GLY . 17068 1 97 . GLU . 17068 1 98 . TRP . 17068 1 99 . VAL . 17068 1 100 . SER . 17068 1 101 . LEU . 17068 1 102 . ARG . 17068 1 103 . ASN . 17068 1 104 . GLY . 17068 1 105 . THR . 17068 1 106 . LYS . 17068 1 107 . LEU . 17068 1 108 . THR . 17068 1 109 . ASP . 17068 1 110 . ILE . 17068 1 111 . LEU . 17068 1 112 . THR . 17068 1 113 . GLU . 17068 1 114 . GLU . 17068 1 115 . VAL . 17068 1 116 . GLU . 17068 1 117 . LYS . 17068 1 118 . ALA . 17068 1 119 . ILE . 17068 1 120 . SER . 17068 1 121 . LYS . 17068 1 122 . SER . 17068 1 123 . GLN . 17068 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 17068 1 . GLU 2 2 17068 1 . SER 3 3 17068 1 . SER 4 4 17068 1 . THR 5 5 17068 1 . ASP 6 6 17068 1 . GLY 7 7 17068 1 . GLN 8 8 17068 1 . VAL 9 9 17068 1 . VAL 10 10 17068 1 . PRO 11 11 17068 1 . GLN 12 12 17068 1 . GLU 13 13 17068 1 . VAL 14 14 17068 1 . LEU 15 15 17068 1 . ASN 16 16 17068 1 . LEU 17 17 17068 1 . PRO 18 18 17068 1 . LEU 19 19 17068 1 . GLU 20 20 17068 1 . LYS 21 21 17068 1 . TYR 22 22 17068 1 . HIS 23 23 17068 1 . GLU 24 24 17068 1 . GLU 25 25 17068 1 . ALA 26 26 17068 1 . ASP 27 27 17068 1 . ASP 28 28 17068 1 . TYR 29 29 17068 1 . LEU 30 30 17068 1 . ASP 31 31 17068 1 . HIS 32 32 17068 1 . LEU 33 33 17068 1 . LEU 34 34 17068 1 . ASP 35 35 17068 1 . SER 36 36 17068 1 . LEU 37 37 17068 1 . GLU 38 38 17068 1 . GLU 39 39 17068 1 . LEU 40 40 17068 1 . SER 41 41 17068 1 . GLU 42 42 17068 1 . ALA 43 43 17068 1 . HIS 44 44 17068 1 . PRO 45 45 17068 1 . ASP 46 46 17068 1 . CYS 47 47 17068 1 . ILE 48 48 17068 1 . PRO 49 49 17068 1 . ASP 50 50 17068 1 . VAL 51 51 17068 1 . GLU 52 52 17068 1 . LEU 53 53 17068 1 . SER 54 54 17068 1 . HIS 55 55 17068 1 . GLY 56 56 17068 1 . VAL 57 57 17068 1 . MET 58 58 17068 1 . THR 59 59 17068 1 . LEU 60 60 17068 1 . GLU 61 61 17068 1 . ILE 62 62 17068 1 . PRO 63 63 17068 1 . ALA 64 64 17068 1 . PHE 65 65 17068 1 . GLY 66 66 17068 1 . THR 67 67 17068 1 . TYR 68 68 17068 1 . VAL 69 69 17068 1 . ILE 70 70 17068 1 . ASN 71 71 17068 1 . LYS 72 72 17068 1 . GLN 73 73 17068 1 . PRO 74 74 17068 1 . PRO 75 75 17068 1 . ASN 76 76 17068 1 . LYS 77 77 17068 1 . GLN 78 78 17068 1 . ILE 79 79 17068 1 . TRP 80 80 17068 1 . LEU 81 81 17068 1 . ALA 82 82 17068 1 . SER 83 83 17068 1 . PRO 84 84 17068 1 . LEU 85 85 17068 1 . SER 86 86 17068 1 . GLY 87 87 17068 1 . PRO 88 88 17068 1 . ASN 89 89 17068 1 . ARG 90 90 17068 1 . PHE 91 91 17068 1 . ASP 92 92 17068 1 . LEU 93 93 17068 1 . LEU 94 94 17068 1 . ASN 95 95 17068 1 . GLY 96 96 17068 1 . GLU 97 97 17068 1 . TRP 98 98 17068 1 . VAL 99 99 17068 1 . SER 100 100 17068 1 . LEU 101 101 17068 1 . ARG 102 102 17068 1 . ASN 103 103 17068 1 . GLY 104 104 17068 1 . THR 105 105 17068 1 . LYS 106 106 17068 1 . LEU 107 107 17068 1 . THR 108 108 17068 1 . ASP 109 109 17068 1 . ILE 110 110 17068 1 . LEU 111 111 17068 1 . THR 112 112 17068 1 . GLU 113 113 17068 1 . GLU 114 114 17068 1 . VAL 115 115 17068 1 . GLU 116 116 17068 1 . LYS 117 117 17068 1 . ALA 118 118 17068 1 . ILE 119 119 17068 1 . SER 120 120 17068 1 . LYS 121 121 17068 1 . SER 122 122 17068 1 . GLN 123 123 17068 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 17068 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Yeast_frataxin_Yfh1 . 4932 plasmid . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . Yfh1 . 'Gene ID: 851437' . . 17068 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 17068 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Yeast_frataxin_Yfh1 . 'cell free synthesis' 'Escherichia coli' . . . . . BL21(DE3) . . . . . . . . . . . . . . . pET11a . . . . . . 17068 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17068 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'We did a strong dialysis after the sample preparation to remove all the salt content.' _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-100% 13C; U-100% 15N]' . . 1 $Yeast_frataxin_Yfh1 . . . 0.4 0.5 mM 0.1 . . . 17068 1 2 D2O 'natural abundance' . . . . . . 90 . . % 2 . . . 17068 1 3 H2O 'natural abundance' . . . . . . 10 . . % 2 . . . 17068 1 4 DTT 'natural abundance' . . . . . . 1 . . mM 0.2 . . . 17068 1 5 HEPES 'natural abundance' . . . . . . 20 . . mM 1 . . . 17068 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 17068 _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' 0.004 0.001 M 17068 1 pH 7.0 0.1 pH 17068 1 pressure 1 . atm 17068 1 temperature 272.0 0.2 K 17068 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 17068 _Software.ID 1 _Software.Name XEASY _Software.Version 1.3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' 'Institute of Molecular Biology and Biophysics, ETH Zurich.' rkeller@nmr.ch 17068 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17068 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17068 1 'peak picking' 17068 1 processing 17068 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 17068 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Instrument with a triple resonance probe (without cryoprobe)' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17068 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 'Instrument with a triple resonance probe (without cryoprobe)' . . 17068 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 17068 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17068 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17068 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17068 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17068 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17068 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17068 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17068 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 17068 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Water was used for the direct 1H referencing. 13C and 15N were referenced indirectly' 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 water protons . . . . ppm 0.0 na indirect 0.251449530 . . . . . . . . . 17068 1 H 1 water protons . . . . ppm 5.018 internal direct 1.000000000 . . . . . . . . . 17068 1 N 15 water protons . . . . ppm 0.0 na indirect 0.101329118 . . . . . . . . . 17068 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 17068 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17068 1 2 '3D HNCACB' . . . 17068 1 3 '3D CBCA(CO)NH' . . . 17068 1 4 '3D 1H-15N NOESY' . . . 17068 1 5 '3D 1H-15N TOCSY' . . . 17068 1 6 '3D HNCA' . . . 17068 1 7 '3D HN(CO)CA' . . . 17068 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 . . 17068 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 55.023 0.020 . 1 . . . . 1 M CA . 17068 1 2 . 1 1 1 1 MET CB C 13 32.866 0.020 . 1 . . . . 1 M CB . 17068 1 3 . 1 1 2 2 GLU H H 1 8.986 0.010 . 1 . . . . 2 E HN . 17068 1 4 . 1 1 2 2 GLU CA C 13 56.232 0.020 . 1 . . . . 2 E CA . 17068 1 5 . 1 1 2 2 GLU CB C 13 30.378 0.020 . 1 . . . . 2 E CB . 17068 1 6 . 1 1 2 2 GLU N N 15 124.534 0.050 . 1 . . . . 2 E N . 17068 1 7 . 1 1 3 3 SER H H 1 8.752 0.010 . 1 . . . . 3 S HN . 17068 1 8 . 1 1 3 3 SER HA H 1 4.467 0.010 . 1 . . . . 3 S HA . 17068 1 9 . 1 1 3 3 SER HB2 H 1 3.832 0.010 . 2 . . . . 3 S QB . 17068 1 10 . 1 1 3 3 SER HB3 H 1 3.832 0.010 . 2 . . . . 3 S QB . 17068 1 11 . 1 1 3 3 SER CA C 13 58.122 0.020 . 1 . . . . 3 S CA . 17068 1 12 . 1 1 3 3 SER CB C 13 63.867 0.020 . 1 . . . . 3 S CB . 17068 1 13 . 1 1 3 3 SER N N 15 117.977 0.050 . 1 . . . . 3 S N . 17068 1 14 . 1 1 4 4 SER H H 1 8.697 0.010 . 1 . . . . 4 S HN . 17068 1 15 . 1 1 4 4 SER HA H 1 4.487 0.010 . 1 . . . . 4 S HA . 17068 1 16 . 1 1 4 4 SER HB2 H 1 3.939 0.010 . 2 . . . . 4 S HB2 . 17068 1 17 . 1 1 4 4 SER HB3 H 1 3.848 0.010 . 2 . . . . 4 S HB3 . 17068 1 18 . 1 1 4 4 SER CA C 13 58.344 0.020 . 1 . . . . 4 S CA . 17068 1 19 . 1 1 4 4 SER CB C 13 63.849 0.020 . 1 . . . . 4 S CB . 17068 1 20 . 1 1 4 4 SER N N 15 118.570 0.050 . 1 . . . . 4 S N . 17068 1 21 . 1 1 5 5 THR H H 1 8.451 0.010 . 1 . . . . 5 T HN . 17068 1 22 . 1 1 5 5 THR HA H 1 4.369 0.010 . 1 . . . . 5 T HA . 17068 1 23 . 1 1 5 5 THR HB H 1 4.279 0.010 . 1 . . . . 5 T HB . 17068 1 24 . 1 1 5 5 THR HG21 H 1 1.159 0.010 . 1 . . . . 5 T QG2 . 17068 1 25 . 1 1 5 5 THR HG22 H 1 1.159 0.010 . 1 . . . . 5 T QG2 . 17068 1 26 . 1 1 5 5 THR HG23 H 1 1.159 0.010 . 1 . . . . 5 T QG2 . 17068 1 27 . 1 1 5 5 THR CA C 13 61.766 0.020 . 1 . . . . 5 T CA . 17068 1 28 . 1 1 5 5 THR CB C 13 69.503 0.020 . 1 . . . . 5 T CB . 17068 1 29 . 1 1 5 5 THR N N 15 115.474 0.050 . 1 . . . . 5 T N . 17068 1 30 . 1 1 6 6 ASP H H 1 8.354 0.010 . 1 . . . . 6 D HN . 17068 1 31 . 1 1 6 6 ASP HA H 1 4.553 0.010 . 1 . . . . 6 D HA . 17068 1 32 . 1 1 6 6 ASP HB2 H 1 2.670 0.010 . 2 . . . . 6 D QB . 17068 1 33 . 1 1 6 6 ASP HB3 H 1 2.670 0.010 . 2 . . . . 6 D QB . 17068 1 34 . 1 1 6 6 ASP CA C 13 54.699 0.020 . 1 . . . . 6 D CA . 17068 1 35 . 1 1 6 6 ASP CB C 13 40.863 0.020 . 1 . . . . 6 D CB . 17068 1 36 . 1 1 6 6 ASP N N 15 122.847 0.050 . 1 . . . . 6 D N . 17068 1 37 . 1 1 7 7 GLY H H 1 8.522 0.010 . 1 . . . . 7 G HN . 17068 1 38 . 1 1 7 7 GLY HA2 H 1 3.908 0.010 . 2 . . . . 7 G QA . 17068 1 39 . 1 1 7 7 GLY HA3 H 1 3.908 0.010 . 2 . . . . 7 G QA . 17068 1 40 . 1 1 7 7 GLY CA C 13 45.326 0.020 . 1 . . . . 7 G CA . 17068 1 41 . 1 1 7 7 GLY N N 15 109.810 0.050 . 1 . . . . 7 G N . 17068 1 42 . 1 1 8 8 GLN H H 1 8.233 0.010 . 1 . . . . 8 Q HN . 17068 1 43 . 1 1 8 8 GLN HA H 1 4.302 0.010 . 1 . . . . 8 Q HA . 17068 1 44 . 1 1 8 8 GLN HB2 H 1 2.050 0.010 . 2 . . . . 8 Q HB2 . 17068 1 45 . 1 1 8 8 GLN HB3 H 1 1.967 0.010 . 2 . . . . 8 Q HB3 . 17068 1 46 . 1 1 8 8 GLN HG2 H 1 2.297 0.010 . 2 . . . . 8 Q QG . 17068 1 47 . 1 1 8 8 GLN HG3 H 1 2.297 0.010 . 2 . . . . 8 Q QG . 17068 1 48 . 1 1 8 8 GLN CA C 13 55.552 0.020 . 1 . . . . 8 Q CA . 17068 1 49 . 1 1 8 8 GLN CB C 13 29.396 0.020 . 1 . . . . 8 Q CB . 17068 1 50 . 1 1 8 8 GLN N N 15 119.993 0.050 . 1 . . . . 8 Q N . 17068 1 51 . 1 1 9 9 VAL H H 1 8.458 0.010 . 1 . . . . 9 V HN . 17068 1 52 . 1 1 9 9 VAL HA H 1 4.052 0.010 . 1 . . . . 9 V HA . 17068 1 53 . 1 1 9 9 VAL HB H 1 1.994 0.010 . 1 . . . . 9 V HB . 17068 1 54 . 1 1 9 9 VAL HG11 H 1 0.903 0.010 . 1 . . . . 9 V QQG . 17068 1 55 . 1 1 9 9 VAL HG12 H 1 0.903 0.010 . 1 . . . . 9 V QQG . 17068 1 56 . 1 1 9 9 VAL HG13 H 1 0.903 0.010 . 1 . . . . 9 V QQG . 17068 1 57 . 1 1 9 9 VAL HG21 H 1 0.903 0.010 . 1 . . . . 9 V QQG . 17068 1 58 . 1 1 9 9 VAL HG22 H 1 0.903 0.010 . 1 . . . . 9 V QQG . 17068 1 59 . 1 1 9 9 VAL HG23 H 1 0.903 0.010 . 1 . . . . 9 V QQG . 17068 1 60 . 1 1 9 9 VAL CA C 13 62.431 0.020 . 1 . . . . 9 V CA . 17068 1 61 . 1 1 9 9 VAL CB C 13 32.646 0.020 . 1 . . . . 9 V CB . 17068 1 62 . 1 1 9 9 VAL N N 15 123.241 0.050 . 1 . . . . 9 V N . 17068 1 63 . 1 1 10 10 VAL H H 1 8.587 0.010 . 1 . . . . 10 V HN . 17068 1 64 . 1 1 10 10 VAL HA H 1 4.381 0.010 . 1 . . . . 10 V HA . 17068 1 65 . 1 1 10 10 VAL HB H 1 2.031 0.010 . 1 . . . . 10 V HB . 17068 1 66 . 1 1 10 10 VAL HG11 H 1 0.930 0.010 . 1 . . . . 10 V QQG . 17068 1 67 . 1 1 10 10 VAL HG12 H 1 0.930 0.010 . 1 . . . . 10 V QQG . 17068 1 68 . 1 1 10 10 VAL HG13 H 1 0.930 0.010 . 1 . . . . 10 V QQG . 17068 1 69 . 1 1 10 10 VAL HG21 H 1 0.930 0.010 . 1 . . . . 10 V QQG . 17068 1 70 . 1 1 10 10 VAL HG22 H 1 0.930 0.010 . 1 . . . . 10 V QQG . 17068 1 71 . 1 1 10 10 VAL HG23 H 1 0.930 0.010 . 1 . . . . 10 V QQG . 17068 1 72 . 1 1 10 10 VAL CA C 13 59.785 0.020 . 1 . . . . 10 V CA . 17068 1 73 . 1 1 10 10 VAL CB C 13 32.571 0.020 . 1 . . . . 10 V CB . 17068 1 74 . 1 1 10 10 VAL N N 15 128.108 0.050 . 1 . . . . 10 V N . 17068 1 75 . 1 1 11 11 PRO HA H 1 4.361 0.010 . 1 . . . . 11 P HA . 17068 1 76 . 1 1 11 11 PRO CA C 13 62.953 0.020 . 1 . . . . 11 P CA . 17068 1 77 . 1 1 11 11 PRO CB C 13 32.173 0.020 . 1 . . . . 11 P CB . 17068 1 78 . 1 1 12 12 GLN H H 1 8.641 0.010 . 1 . . . . 12 Q HN . 17068 1 79 . 1 1 12 12 GLN HA H 1 4.222 0.010 . 1 . . . . 12 Q HA . 17068 1 80 . 1 1 12 12 GLN HB2 H 1 2.037 0.010 . 2 . . . . 12 Q HB2 . 17068 1 81 . 1 1 12 12 GLN HB3 H 1 1.950 0.010 . 2 . . . . 12 Q HB3 . 17068 1 82 . 1 1 12 12 GLN HG2 H 1 2.336 0.010 . 2 . . . . 12 Q QG . 17068 1 83 . 1 1 12 12 GLN HG3 H 1 2.336 0.010 . 2 . . . . 12 Q QG . 17068 1 84 . 1 1 12 12 GLN CA C 13 55.781 0.020 . 1 . . . . 12 Q CA . 17068 1 85 . 1 1 12 12 GLN CB C 13 29.483 0.020 . 1 . . . . 12 Q CB . 17068 1 86 . 1 1 12 12 GLN N N 15 121.518 0.050 . 1 . . . . 12 Q N . 17068 1 87 . 1 1 13 13 GLU H H 1 8.675 0.010 . 1 . . . . 13 E HN . 17068 1 88 . 1 1 13 13 GLU HA H 1 4.222 0.010 . 1 . . . . 13 E HA . 17068 1 89 . 1 1 13 13 GLU HB2 H 1 1.916 0.010 . 2 . . . . 13 E QB . 17068 1 90 . 1 1 13 13 GLU HB3 H 1 1.916 0.010 . 2 . . . . 13 E QB . 17068 1 91 . 1 1 13 13 GLU HG2 H 1 2.193 0.010 . 2 . . . . 13 E QG . 17068 1 92 . 1 1 13 13 GLU HG3 H 1 2.193 0.010 . 2 . . . . 13 E QG . 17068 1 93 . 1 1 13 13 GLU CA C 13 56.496 0.020 . 1 . . . . 13 E CA . 17068 1 94 . 1 1 13 13 GLU CB C 13 30.086 0.020 . 1 . . . . 13 E CB . 17068 1 95 . 1 1 13 13 GLU N N 15 123.352 0.050 . 1 . . . . 13 E N . 17068 1 96 . 1 1 14 14 VAL H H 1 8.466 0.010 . 1 . . . . 14 V HN . 17068 1 97 . 1 1 14 14 VAL HA H 1 4.018 0.010 . 1 . . . . 14 V HA . 17068 1 98 . 1 1 14 14 VAL HB H 1 2.005 0.010 . 1 . . . . 14 V HB . 17068 1 99 . 1 1 14 14 VAL HG11 H 1 0.894 0.010 . 1 . . . . 14 V QQG . 17068 1 100 . 1 1 14 14 VAL HG12 H 1 0.894 0.010 . 1 . . . . 14 V QQG . 17068 1 101 . 1 1 14 14 VAL HG13 H 1 0.894 0.010 . 1 . . . . 14 V QQG . 17068 1 102 . 1 1 14 14 VAL HG21 H 1 0.894 0.010 . 1 . . . . 14 V QQG . 17068 1 103 . 1 1 14 14 VAL HG22 H 1 0.894 0.010 . 1 . . . . 14 V QQG . 17068 1 104 . 1 1 14 14 VAL HG23 H 1 0.894 0.010 . 1 . . . . 14 V QQG . 17068 1 105 . 1 1 14 14 VAL CA C 13 62.498 0.020 . 1 . . . . 14 V CA . 17068 1 106 . 1 1 14 14 VAL CB C 13 32.637 0.020 . 1 . . . . 14 V CB . 17068 1 107 . 1 1 14 14 VAL N N 15 123.373 0.050 . 1 . . . . 14 V N . 17068 1 108 . 1 1 15 15 LEU H H 1 8.500 0.010 . 1 . . . . 15 L HN . 17068 1 109 . 1 1 15 15 LEU HA H 1 4.320 0.010 . 1 . . . . 15 L HA . 17068 1 110 . 1 1 15 15 LEU HB2 H 1 1.592 0.010 . 2 . . . . 15 L QB . 17068 1 111 . 1 1 15 15 LEU HB3 H 1 1.592 0.010 . 2 . . . . 15 L QB . 17068 1 112 . 1 1 15 15 LEU HD11 H 1 0.896 0.010 . 1 . . . . 15 L QD1 . 17068 1 113 . 1 1 15 15 LEU HD12 H 1 0.896 0.010 . 1 . . . . 15 L QD1 . 17068 1 114 . 1 1 15 15 LEU HD13 H 1 0.896 0.010 . 1 . . . . 15 L QD1 . 17068 1 115 . 1 1 15 15 LEU HD21 H 1 0.814 0.010 . 1 . . . . 15 L QD2 . 17068 1 116 . 1 1 15 15 LEU HD22 H 1 0.814 0.010 . 1 . . . . 15 L QD2 . 17068 1 117 . 1 1 15 15 LEU HD23 H 1 0.814 0.010 . 1 . . . . 15 L QD2 . 17068 1 118 . 1 1 15 15 LEU HG H 1 1.481 0.010 . 1 . . . . 15 L HG . 17068 1 119 . 1 1 15 15 LEU CA C 13 54.864 0.020 . 1 . . . . 15 L CA . 17068 1 120 . 1 1 15 15 LEU CB C 13 42.382 0.020 . 1 . . . . 15 L CB . 17068 1 121 . 1 1 15 15 LEU N N 15 126.897 0.050 . 1 . . . . 15 L N . 17068 1 122 . 1 1 16 16 ASN H H 1 8.579 0.010 . 1 . . . . 16 N HN . 17068 1 123 . 1 1 16 16 ASN HA H 1 4.660 0.010 . 1 . . . . 16 N HA . 17068 1 124 . 1 1 16 16 ASN HB2 H 1 2.758 0.010 . 2 . . . . 16 N HB2 . 17068 1 125 . 1 1 16 16 ASN HB3 H 1 2.647 0.010 . 2 . . . . 16 N HB3 . 17068 1 126 . 1 1 16 16 ASN CA C 13 52.909 0.020 . 1 . . . . 16 N CA . 17068 1 127 . 1 1 16 16 ASN CB C 13 38.773 0.020 . 1 . . . . 16 N CB . 17068 1 128 . 1 1 16 16 ASN N N 15 120.198 0.050 . 1 . . . . 16 N N . 17068 1 129 . 1 1 17 17 LEU H H 1 8.342 0.010 . 1 . . . . 17 L HN . 17068 1 130 . 1 1 17 17 LEU HA H 1 4.560 0.010 . 1 . . . . 17 L HA . 17068 1 131 . 1 1 17 17 LEU HB2 H 1 1.584 0.010 . 2 . . . . 17 L QB . 17068 1 132 . 1 1 17 17 LEU HB3 H 1 1.584 0.010 . 2 . . . . 17 L QB . 17068 1 133 . 1 1 17 17 LEU HD11 H 1 0.888 0.010 . 1 . . . . 17 L QQD . 17068 1 134 . 1 1 17 17 LEU HD12 H 1 0.888 0.010 . 1 . . . . 17 L QQD . 17068 1 135 . 1 1 17 17 LEU HD13 H 1 0.888 0.010 . 1 . . . . 17 L QQD . 17068 1 136 . 1 1 17 17 LEU HD21 H 1 0.888 0.010 . 1 . . . . 17 L QQD . 17068 1 137 . 1 1 17 17 LEU HD22 H 1 0.888 0.010 . 1 . . . . 17 L QQD . 17068 1 138 . 1 1 17 17 LEU HD23 H 1 0.888 0.010 . 1 . . . . 17 L QQD . 17068 1 139 . 1 1 17 17 LEU HG H 1 1.492 0.010 . 1 . . . . 17 L HG . 17068 1 140 . 1 1 17 17 LEU CA C 13 52.984 0.020 . 1 . . . . 17 L CA . 17068 1 141 . 1 1 17 17 LEU CB C 13 41.405 0.020 . 1 . . . . 17 L CB . 17068 1 142 . 1 1 17 17 LEU N N 15 124.356 0.050 . 1 . . . . 17 L N . 17068 1 143 . 1 1 18 18 PRO CA C 13 62.733 0.020 . 1 . . . . 18 P CA . 17068 1 144 . 1 1 18 18 PRO CB C 13 32.042 0.020 . 1 . . . . 18 P CB . 17068 1 145 . 1 1 19 19 LEU H H 1 8.521 0.010 . 1 . . . . 19 L HN . 17068 1 146 . 1 1 19 19 LEU HA H 1 4.283 0.010 . 1 . . . . 19 L HA . 17068 1 147 . 1 1 19 19 LEU HB2 H 1 1.625 0.010 . 2 . . . . 19 L QB . 17068 1 148 . 1 1 19 19 LEU HB3 H 1 1.625 0.010 . 2 . . . . 19 L QB . 17068 1 149 . 1 1 19 19 LEU HD11 H 1 0.865 0.010 . 1 . . . . 19 L QQD . 17068 1 150 . 1 1 19 19 LEU HD12 H 1 0.865 0.010 . 1 . . . . 19 L QQD . 17068 1 151 . 1 1 19 19 LEU HD13 H 1 0.865 0.010 . 1 . . . . 19 L QQD . 17068 1 152 . 1 1 19 19 LEU HD21 H 1 0.865 0.010 . 1 . . . . 19 L QQD . 17068 1 153 . 1 1 19 19 LEU HD22 H 1 0.865 0.010 . 1 . . . . 19 L QQD . 17068 1 154 . 1 1 19 19 LEU HD23 H 1 0.865 0.010 . 1 . . . . 19 L QQD . 17068 1 155 . 1 1 19 19 LEU HG H 1 1.533 0.010 . 1 . . . . 19 L HG . 17068 1 156 . 1 1 19 19 LEU CA C 13 55.023 0.020 . 1 . . . . 19 L CA . 17068 1 157 . 1 1 19 19 LEU CB C 13 42.323 0.020 . 1 . . . . 19 L CB . 17068 1 158 . 1 1 19 19 LEU N N 15 122.650 0.050 . 1 . . . . 19 L N . 17068 1 159 . 1 1 20 20 GLU H H 1 8.499 0.010 . 1 . . . . 20 E HN . 17068 1 160 . 1 1 20 20 GLU HA H 1 4.381 0.010 . 1 . . . . 20 E HA . 17068 1 161 . 1 1 20 20 GLU HB2 H 1 2.005 0.010 . 2 . . . . 20 E HB2 . 17068 1 162 . 1 1 20 20 GLU HB3 H 1 1.870 0.010 . 2 . . . . 20 E HB3 . 17068 1 163 . 1 1 20 20 GLU HG2 H 1 2.239 0.010 . 2 . . . . 20 E QG . 17068 1 164 . 1 1 20 20 GLU HG3 H 1 2.239 0.010 . 2 . . . . 20 E QG . 17068 1 165 . 1 1 20 20 GLU CA C 13 56.308 0.020 . 1 . . . . 20 E CA . 17068 1 166 . 1 1 20 20 GLU CB C 13 30.283 0.020 . 1 . . . . 20 E CB . 17068 1 167 . 1 1 20 20 GLU N N 15 122.983 0.050 . 1 . . . . 20 E N . 17068 1 168 . 1 1 21 21 LYS H H 1 8.416 0.010 . 1 . . . . 21 K HN . 17068 1 169 . 1 1 21 21 LYS HA H 1 4.170 0.010 . 1 . . . . 21 K HA . 17068 1 170 . 1 1 21 21 LYS HB2 H 1 1.972 0.010 . 2 . . . . 21 K HB2 . 17068 1 171 . 1 1 21 21 LYS HB3 H 1 1.761 0.010 . 2 . . . . 21 K HB3 . 17068 1 172 . 1 1 21 21 LYS HD2 H 1 1.674 0.010 . 2 . . . . 21 K QD . 17068 1 173 . 1 1 21 21 LYS HD3 H 1 1.674 0.010 . 2 . . . . 21 K QD . 17068 1 174 . 1 1 21 21 LYS HG2 H 1 1.361 0.010 . 2 . . . . 21 K QG . 17068 1 175 . 1 1 21 21 LYS HG3 H 1 1.361 0.010 . 2 . . . . 21 K QG . 17068 1 176 . 1 1 21 21 LYS CA C 13 56.308 0.020 . 1 . . . . 21 K CA . 17068 1 177 . 1 1 21 21 LYS CB C 13 33.024 0.020 . 1 . . . . 21 K CB . 17068 1 178 . 1 1 21 21 LYS N N 15 122.842 0.050 . 1 . . . . 21 K N . 17068 1 179 . 1 1 22 22 TYR H H 1 8.479 0.010 . 1 . . . . 22 Y HN . 17068 1 180 . 1 1 22 22 TYR HA H 1 4.216 0.010 . 1 . . . . 22 Y HA . 17068 1 181 . 1 1 22 22 TYR HB2 H 1 2.931 0.010 . 2 . . . . 22 Y QB . 17068 1 182 . 1 1 22 22 TYR HB3 H 1 2.931 0.010 . 2 . . . . 22 Y QB . 17068 1 183 . 1 1 22 22 TYR HD1 H 1 7.037 0.010 . 3 . . . . 22 Y QD . 17068 1 184 . 1 1 22 22 TYR HD2 H 1 7.037 0.010 . 3 . . . . 22 Y QD . 17068 1 185 . 1 1 22 22 TYR CA C 13 58.122 0.020 . 1 . . . . 22 Y CA . 17068 1 186 . 1 1 22 22 TYR CB C 13 38.770 0.020 . 1 . . . . 22 Y CB . 17068 1 187 . 1 1 22 22 TYR N N 15 122.983 0.050 . 1 . . . . 22 Y N . 17068 1 188 . 1 1 23 23 HIS H H 1 8.328 0.010 . 1 . . . . 23 H HN . 17068 1 189 . 1 1 23 23 HIS HA H 1 4.507 0.010 . 1 . . . . 23 H HA . 17068 1 190 . 1 1 23 23 HIS HB2 H 1 3.085 0.010 . 2 . . . . 23 H HB2 . 17068 1 191 . 1 1 23 23 HIS HB3 H 1 3.022 0.010 . 2 . . . . 23 H HB3 . 17068 1 192 . 1 1 23 23 HIS HD2 H 1 7.048 0.010 . 1 . . . . 23 H HD2 . 17068 1 193 . 1 1 23 23 HIS CA C 13 55.249 0.020 . 1 . . . . 23 H CA . 17068 1 194 . 1 1 23 23 HIS CB C 13 29.547 0.020 . 1 . . . . 23 H CB . 17068 1 195 . 1 1 23 23 HIS N N 15 122.574 0.050 . 1 . . . . 23 H N . 17068 1 196 . 1 1 24 24 GLU H H 1 8.525 0.010 . 1 . . . . 24 E HN . 17068 1 197 . 1 1 24 24 GLU HA H 1 4.141 0.010 . 1 . . . . 24 E HA . 17068 1 198 . 1 1 24 24 GLU HB2 H 1 2.001 0.010 . 2 . . . . 24 E HB2 . 17068 1 199 . 1 1 24 24 GLU HB3 H 1 1.842 0.010 . 2 . . . . 24 E HB3 . 17068 1 200 . 1 1 24 24 GLU HG2 H 1 2.201 0.010 . 2 . . . . 24 E QG . 17068 1 201 . 1 1 24 24 GLU HG3 H 1 2.201 0.010 . 2 . . . . 24 E QG . 17068 1 202 . 1 1 24 24 GLU CA C 13 56.124 0.020 . 1 . . . . 24 E CA . 17068 1 203 . 1 1 24 24 GLU CB C 13 30.297 0.020 . 1 . . . . 24 E CB . 17068 1 204 . 1 1 24 24 GLU N N 15 123.736 0.050 . 1 . . . . 24 E N . 17068 1 205 . 1 1 25 25 GLU H H 1 8.697 0.010 . 1 . . . . 25 E HN . 17068 1 206 . 1 1 25 25 GLU HA H 1 4.184 0.010 . 1 . . . . 25 E HA . 17068 1 207 . 1 1 25 25 GLU HB2 H 1 2.009 0.010 . 2 . . . . 25 E HB2 . 17068 1 208 . 1 1 25 25 GLU HB3 H 1 1.861 0.010 . 2 . . . . 25 E HB3 . 17068 1 209 . 1 1 25 25 GLU HG2 H 1 2.223 0.010 . 2 . . . . 25 E QG . 17068 1 210 . 1 1 25 25 GLU HG3 H 1 2.223 0.010 . 2 . . . . 25 E QG . 17068 1 211 . 1 1 25 25 GLU CA C 13 56.453 0.020 . 1 . . . . 25 E CA . 17068 1 212 . 1 1 25 25 GLU CB C 13 30.006 0.020 . 1 . . . . 25 E CB . 17068 1 213 . 1 1 25 25 GLU N N 15 122.864 0.050 . 1 . . . . 25 E N . 17068 1 214 . 1 1 26 26 ALA H H 1 8.591 0.010 . 1 . . . . 26 A HN . 17068 1 215 . 1 1 26 26 ALA HA H 1 4.222 0.010 . 1 . . . . 26 A HA . 17068 1 216 . 1 1 26 26 ALA HB1 H 1 1.386 0.010 . 1 . . . . 26 A QB . 17068 1 217 . 1 1 26 26 ALA HB2 H 1 1.386 0.010 . 1 . . . . 26 A QB . 17068 1 218 . 1 1 26 26 ALA HB3 H 1 1.386 0.010 . 1 . . . . 26 A QB . 17068 1 219 . 1 1 26 26 ALA CA C 13 52.718 0.020 . 1 . . . . 26 A CA . 17068 1 220 . 1 1 26 26 ALA CB C 13 19.248 0.020 . 1 . . . . 26 A CB . 17068 1 221 . 1 1 26 26 ALA N N 15 124.740 0.050 . 1 . . . . 26 A N . 17068 1 222 . 1 1 27 27 ASP H H 1 8.429 0.010 . 1 . . . . 27 D HN . 17068 1 223 . 1 1 27 27 ASP HA H 1 4.210 0.010 . 1 . . . . 27 D HA . 17068 1 224 . 1 1 27 27 ASP HB2 H 1 2.666 0.010 . 2 . . . . 27 D HB2 . 17068 1 225 . 1 1 27 27 ASP HB3 H 1 2.573 0.010 . 2 . . . . 27 D HB3 . 17068 1 226 . 1 1 27 27 ASP CA C 13 54.660 0.020 . 1 . . . . 27 D CA . 17068 1 227 . 1 1 27 27 ASP CB C 13 40.914 0.020 . 1 . . . . 27 D CB . 17068 1 228 . 1 1 27 27 ASP N N 15 120.094 0.050 . 1 . . . . 27 D N . 17068 1 229 . 1 1 28 28 ASP H H 1 8.287 0.010 . 1 . . . . 28 D HN . 17068 1 230 . 1 1 28 28 ASP HA H 1 4.527 0.010 . 1 . . . . 28 D HA . 17068 1 231 . 1 1 28 28 ASP HB2 H 1 2.678 0.010 . 2 . . . . 28 D HB2 . 17068 1 232 . 1 1 28 28 ASP HB3 H 1 2.635 0.010 . 2 . . . . 28 D HB3 . 17068 1 233 . 1 1 28 28 ASP CA C 13 54.720 0.020 . 1 . . . . 28 D CA . 17068 1 234 . 1 1 28 28 ASP CB C 13 40.735 0.020 . 1 . . . . 28 D CB . 17068 1 235 . 1 1 28 28 ASP N N 15 120.684 0.050 . 1 . . . . 28 D N . 17068 1 236 . 1 1 29 29 TYR H H 1 8.132 0.010 . 1 . . . . 29 Y HN . 17068 1 237 . 1 1 29 29 TYR HA H 1 4.382 0.010 . 1 . . . . 29 Y HA . 17068 1 238 . 1 1 29 29 TYR HB2 H 1 3.034 0.010 . 2 . . . . 29 Y QB . 17068 1 239 . 1 1 29 29 TYR HB3 H 1 3.034 0.010 . 2 . . . . 29 Y QB . 17068 1 240 . 1 1 29 29 TYR HD1 H 1 7.060 0.010 . 3 . . . . 29 Y QD . 17068 1 241 . 1 1 29 29 TYR HD2 H 1 7.060 0.010 . 3 . . . . 29 Y QD . 17068 1 242 . 1 1 29 29 TYR HE1 H 1 6.784 0.010 . 3 . . . . 29 Y QE . 17068 1 243 . 1 1 29 29 TYR HE2 H 1 6.784 0.010 . 3 . . . . 29 Y QE . 17068 1 244 . 1 1 29 29 TYR CA C 13 58.954 0.020 . 1 . . . . 29 Y CA . 17068 1 245 . 1 1 29 29 TYR CB C 13 38.089 0.020 . 1 . . . . 29 Y CB . 17068 1 246 . 1 1 29 29 TYR N N 15 120.435 0.050 . 1 . . . . 29 Y N . 17068 1 247 . 1 1 30 30 LEU H H 1 8.005 0.010 . 1 . . . . 30 L HN . 17068 1 248 . 1 1 30 30 LEU HA H 1 4.083 0.010 . 1 . . . . 30 L HA . 17068 1 249 . 1 1 30 30 LEU HB2 H 1 1.525 0.010 . 2 . . . . 30 L QB . 17068 1 250 . 1 1 30 30 LEU HB3 H 1 1.525 0.010 . 2 . . . . 30 L QB . 17068 1 251 . 1 1 30 30 LEU HD11 H 1 0.812 0.010 . 1 . . . . 30 L QQD . 17068 1 252 . 1 1 30 30 LEU HD12 H 1 0.812 0.010 . 1 . . . . 30 L QQD . 17068 1 253 . 1 1 30 30 LEU HD13 H 1 0.812 0.010 . 1 . . . . 30 L QQD . 17068 1 254 . 1 1 30 30 LEU HD21 H 1 0.812 0.010 . 1 . . . . 30 L QQD . 17068 1 255 . 1 1 30 30 LEU HD22 H 1 0.812 0.010 . 1 . . . . 30 L QQD . 17068 1 256 . 1 1 30 30 LEU HD23 H 1 0.812 0.010 . 1 . . . . 30 L QQD . 17068 1 257 . 1 1 30 30 LEU HG H 1 1.363 0.010 . 1 . . . . 30 L HG . 17068 1 258 . 1 1 30 30 LEU CA C 13 55.325 0.020 . 1 . . . . 30 L CA . 17068 1 259 . 1 1 30 30 LEU CB C 13 42.020 0.020 . 1 . . . . 30 L CB . 17068 1 260 . 1 1 30 30 LEU N N 15 122.864 0.050 . 1 . . . . 30 L N . 17068 1 261 . 1 1 31 31 ASP H H 1 8.190 0.010 . 1 . . . . 31 D HN . 17068 1 262 . 1 1 31 31 ASP HA H 1 4.418 0.010 . 1 . . . . 31 D HA . 17068 1 263 . 1 1 31 31 ASP HB2 H 1 2.596 0.010 . 2 . . . . 31 D HB2 . 17068 1 264 . 1 1 31 31 ASP HB3 H 1 2.532 0.010 . 2 . . . . 31 D HB3 . 17068 1 265 . 1 1 31 31 ASP CA C 13 54.645 0.020 . 1 . . . . 31 D CA . 17068 1 266 . 1 1 31 31 ASP CB C 13 40.735 0.020 . 1 . . . . 31 D CB . 17068 1 267 . 1 1 31 31 ASP N N 15 119.901 0.050 . 1 . . . . 31 D N . 17068 1 268 . 1 1 32 32 HIS H H 1 8.206 0.010 . 1 . . . . 32 H HN . 17068 1 269 . 1 1 32 32 HIS HA H 1 4.625 0.010 . 1 . . . . 32 H HA . 17068 1 270 . 1 1 32 32 HIS HB2 H 1 3.288 0.010 . 2 . . . . 32 H HB2 . 17068 1 271 . 1 1 32 32 HIS HB3 H 1 3.058 0.010 . 2 . . . . 32 H HB3 . 17068 1 272 . 1 1 32 32 HIS HD2 H 1 7.198 0.010 . 1 . . . . 32 H HD2 . 17068 1 273 . 1 1 32 32 HIS CA C 13 55.552 0.020 . 1 . . . . 32 H CA . 17068 1 274 . 1 1 32 32 HIS CB C 13 28.791 0.020 . 1 . . . . 32 H CB . 17068 1 275 . 1 1 32 32 HIS N N 15 118.397 0.050 . 1 . . . . 32 H N . 17068 1 276 . 1 1 33 33 LEU H H 1 8.201 0.010 . 1 . . . . 33 L HN . 17068 1 277 . 1 1 33 33 LEU HA H 1 4.210 0.010 . 1 . . . . 33 L HA . 17068 1 278 . 1 1 33 33 LEU HB2 H 1 1.674 0.010 . 2 . . . . 33 L QB . 17068 1 279 . 1 1 33 33 LEU HB3 H 1 1.674 0.010 . 2 . . . . 33 L QB . 17068 1 280 . 1 1 33 33 LEU HD11 H 1 0.842 0.010 . 1 . . . . 33 L QQD . 17068 1 281 . 1 1 33 33 LEU HD12 H 1 0.842 0.010 . 1 . . . . 33 L QQD . 17068 1 282 . 1 1 33 33 LEU HD13 H 1 0.842 0.010 . 1 . . . . 33 L QQD . 17068 1 283 . 1 1 33 33 LEU HD21 H 1 0.842 0.010 . 1 . . . . 33 L QQD . 17068 1 284 . 1 1 33 33 LEU HD22 H 1 0.842 0.010 . 1 . . . . 33 L QQD . 17068 1 285 . 1 1 33 33 LEU HD23 H 1 0.842 0.010 . 1 . . . . 33 L QQD . 17068 1 286 . 1 1 33 33 LEU HG H 1 1.513 0.010 . 1 . . . . 33 L HG . 17068 1 287 . 1 1 33 33 LEU CA C 13 56.005 0.020 . 1 . . . . 33 L CA . 17068 1 288 . 1 1 33 33 LEU CB C 13 41.945 0.020 . 1 . . . . 33 L CB . 17068 1 289 . 1 1 33 33 LEU N N 15 122.753 0.050 . 1 . . . . 33 L N . 17068 1 290 . 1 1 34 34 LEU H H 1 8.294 0.010 . 1 . . . . 34 L HN . 17068 1 291 . 1 1 34 34 LEU HA H 1 4.336 0.010 . 1 . . . . 34 L HA . 17068 1 292 . 1 1 34 34 LEU HB2 H 1 1.653 0.010 . 2 . . . . 34 L QB . 17068 1 293 . 1 1 34 34 LEU HB3 H 1 1.653 0.010 . 2 . . . . 34 L QB . 17068 1 294 . 1 1 34 34 LEU HD11 H 1 0.877 0.010 . 1 . . . . 34 L QQD . 17068 1 295 . 1 1 34 34 LEU HD12 H 1 0.877 0.010 . 1 . . . . 34 L QQD . 17068 1 296 . 1 1 34 34 LEU HD13 H 1 0.877 0.010 . 1 . . . . 34 L QQD . 17068 1 297 . 1 1 34 34 LEU HD21 H 1 0.877 0.010 . 1 . . . . 34 L QQD . 17068 1 298 . 1 1 34 34 LEU HD22 H 1 0.877 0.010 . 1 . . . . 34 L QQD . 17068 1 299 . 1 1 34 34 LEU HD23 H 1 0.877 0.010 . 1 . . . . 34 L QQD . 17068 1 300 . 1 1 34 34 LEU HG H 1 1.566 0.010 . 1 . . . . 34 L HG . 17068 1 301 . 1 1 34 34 LEU CA C 13 54.871 0.020 . 1 . . . . 34 L CA . 17068 1 302 . 1 1 34 34 LEU CB C 13 41.869 0.020 . 1 . . . . 34 L CB . 17068 1 303 . 1 1 34 34 LEU N N 15 121.276 0.050 . 1 . . . . 34 L N . 17068 1 304 . 1 1 35 35 ASP H H 1 8.167 0.010 . 1 . . . . 35 D HN . 17068 1 305 . 1 1 35 35 ASP HA H 1 4.510 0.010 . 1 . . . . 35 D HA . 17068 1 306 . 1 1 35 35 ASP HB2 H 1 2.666 0.010 . 2 . . . . 35 D QB . 17068 1 307 . 1 1 35 35 ASP HB3 H 1 2.666 0.010 . 2 . . . . 35 D QB . 17068 1 308 . 1 1 35 35 ASP CA C 13 54.713 0.020 . 1 . . . . 35 D CA . 17068 1 309 . 1 1 35 35 ASP CB C 13 40.728 0.020 . 1 . . . . 35 D CB . 17068 1 310 . 1 1 35 35 ASP N N 15 121.351 0.050 . 1 . . . . 35 D N . 17068 1 311 . 1 1 36 36 SER H H 1 8.378 0.010 . 1 . . . . 36 S HN . 17068 1 312 . 1 1 36 36 SER HA H 1 4.396 0.010 . 1 . . . . 36 S HA . 17068 1 313 . 1 1 36 36 SER HB2 H 1 3.853 0.010 . 2 . . . . 36 S QB . 17068 1 314 . 1 1 36 36 SER HB3 H 1 3.853 0.010 . 2 . . . . 36 S QB . 17068 1 315 . 1 1 36 36 SER CA C 13 58.322 0.020 . 1 . . . . 36 S CA . 17068 1 316 . 1 1 36 36 SER CB C 13 63.586 0.020 . 1 . . . . 36 S CB . 17068 1 317 . 1 1 36 36 SER N N 15 116.152 0.050 . 1 . . . . 36 S N . 17068 1 318 . 1 1 37 37 LEU H H 1 8.424 0.010 . 1 . . . . 37 L HN . 17068 1 319 . 1 1 37 37 LEU HA H 1 4.315 0.010 . 1 . . . . 37 L HA . 17068 1 320 . 1 1 37 37 LEU HB2 H 1 1.639 0.010 . 2 . . . . 37 L HB2 . 17068 1 321 . 1 1 37 37 LEU HB3 H 1 1.573 0.010 . 2 . . . . 37 L HB3 . 17068 1 322 . 1 1 37 37 LEU HD11 H 1 0.865 0.010 . 1 . . . . 37 L QQD . 17068 1 323 . 1 1 37 37 LEU HD12 H 1 0.865 0.010 . 1 . . . . 37 L QQD . 17068 1 324 . 1 1 37 37 LEU HD13 H 1 0.865 0.010 . 1 . . . . 37 L QQD . 17068 1 325 . 1 1 37 37 LEU HD21 H 1 0.865 0.010 . 1 . . . . 37 L QQD . 17068 1 326 . 1 1 37 37 LEU HD22 H 1 0.865 0.010 . 1 . . . . 37 L QQD . 17068 1 327 . 1 1 37 37 LEU HD23 H 1 0.865 0.010 . 1 . . . . 37 L QQD . 17068 1 328 . 1 1 37 37 LEU CA C 13 55.249 0.020 . 1 . . . . 37 L CA . 17068 1 329 . 1 1 37 37 LEU CB C 13 41.945 0.020 . 1 . . . . 37 L CB . 17068 1 330 . 1 1 37 37 LEU N N 15 124.371 0.050 . 1 . . . . 37 L N . 17068 1 331 . 1 1 38 38 GLU H H 1 8.416 0.010 . 1 . . . . 38 E HN . 17068 1 332 . 1 1 38 38 GLU HA H 1 4.210 0.010 . 1 . . . . 38 E HA . 17068 1 333 . 1 1 38 38 GLU HB2 H 1 1.975 0.010 . 2 . . . . 38 E HB2 . 17068 1 334 . 1 1 38 38 GLU HB3 H 1 1.882 0.010 . 2 . . . . 38 E HB3 . 17068 1 335 . 1 1 38 38 GLU HG2 H 1 2.203 0.010 . 2 . . . . 38 E QG . 17068 1 336 . 1 1 38 38 GLU HG3 H 1 2.203 0.010 . 2 . . . . 38 E QG . 17068 1 337 . 1 1 38 38 GLU CA C 13 56.613 0.020 . 1 . . . . 38 E CA . 17068 1 338 . 1 1 38 38 GLU CB C 13 30.243 0.020 . 1 . . . . 38 E CB . 17068 1 339 . 1 1 38 38 GLU N N 15 121.961 0.050 . 1 . . . . 38 E N . 17068 1 340 . 1 1 39 39 GLU H H 1 8.520 0.010 . 1 . . . . 39 E HN . 17068 1 341 . 1 1 39 39 GLU HA H 1 4.199 0.010 . 1 . . . . 39 E HA . 17068 1 342 . 1 1 39 39 GLU HB2 H 1 1.893 0.010 . 2 . . . . 39 E QB . 17068 1 343 . 1 1 39 39 GLU HB3 H 1 1.893 0.010 . 2 . . . . 39 E QB . 17068 1 344 . 1 1 39 39 GLU HG2 H 1 2.216 0.010 . 2 . . . . 39 E QG . 17068 1 345 . 1 1 39 39 GLU HG3 H 1 2.216 0.010 . 2 . . . . 39 E QG . 17068 1 346 . 1 1 39 39 GLU CA C 13 56.459 0.020 . 1 . . . . 39 E CA . 17068 1 347 . 1 1 39 39 GLU CB C 13 30.303 0.020 . 1 . . . . 39 E CB . 17068 1 348 . 1 1 39 39 GLU N N 15 122.651 0.050 . 1 . . . . 39 E N . 17068 1 349 . 1 1 40 40 LEU H H 1 8.496 0.010 . 1 . . . . 40 L HN . 17068 1 350 . 1 1 40 40 LEU HA H 1 4.360 0.010 . 1 . . . . 40 L HA . 17068 1 351 . 1 1 40 40 LEU HB2 H 1 1.663 0.010 . 2 . . . . 40 L QB . 17068 1 352 . 1 1 40 40 LEU HB3 H 1 1.663 0.010 . 2 . . . . 40 L QB . 17068 1 353 . 1 1 40 40 LEU HD11 H 1 0.854 0.010 . 1 . . . . 40 L QQD . 17068 1 354 . 1 1 40 40 LEU HD12 H 1 0.854 0.010 . 1 . . . . 40 L QQD . 17068 1 355 . 1 1 40 40 LEU HD13 H 1 0.854 0.010 . 1 . . . . 40 L QQD . 17068 1 356 . 1 1 40 40 LEU HD21 H 1 0.854 0.010 . 1 . . . . 40 L QQD . 17068 1 357 . 1 1 40 40 LEU HD22 H 1 0.854 0.010 . 1 . . . . 40 L QQD . 17068 1 358 . 1 1 40 40 LEU HD23 H 1 0.854 0.010 . 1 . . . . 40 L QQD . 17068 1 359 . 1 1 40 40 LEU HG H 1 1.571 0.010 . 1 . . . . 40 L HG . 17068 1 360 . 1 1 40 40 LEU CA C 13 55.098 0.020 . 1 . . . . 40 L CA . 17068 1 361 . 1 1 40 40 LEU CB C 13 42.247 0.020 . 1 . . . . 40 L CB . 17068 1 362 . 1 1 40 40 LEU N N 15 124.135 0.050 . 1 . . . . 40 L N . 17068 1 363 . 1 1 41 41 SER H H 1 8.454 0.010 . 1 . . . . 41 S HN . 17068 1 364 . 1 1 41 41 SER HA H 1 4.391 0.010 . 1 . . . . 41 S HA . 17068 1 365 . 1 1 41 41 SER HB2 H 1 3.837 0.010 . 2 . . . . 41 S QB . 17068 1 366 . 1 1 41 41 SER HB3 H 1 3.837 0.010 . 2 . . . . 41 S QB . 17068 1 367 . 1 1 41 41 SER CA C 13 58.500 0.020 . 1 . . . . 41 S CA . 17068 1 368 . 1 1 41 41 SER CB C 13 63.641 0.020 . 1 . . . . 41 S CB . 17068 1 369 . 1 1 41 41 SER N N 15 117.362 0.050 . 1 . . . . 41 S N . 17068 1 370 . 1 1 42 42 GLU H H 1 8.158 0.010 . 1 . . . . 42 E HN . 17068 1 371 . 1 1 42 42 GLU HA H 1 4.144 0.010 . 1 . . . . 42 E HA . 17068 1 372 . 1 1 42 42 GLU HB2 H 1 2.101 0.010 . 2 . . . . 42 E HB2 . 17068 1 373 . 1 1 42 42 GLU HB3 H 1 1.912 0.010 . 2 . . . . 42 E HB3 . 17068 1 374 . 1 1 42 42 GLU HG2 H 1 2.289 0.010 . 2 . . . . 42 E QG . 17068 1 375 . 1 1 42 42 GLU HG3 H 1 2.289 0.010 . 2 . . . . 42 E QG . 17068 1 376 . 1 1 42 42 GLU CA C 13 57.365 0.020 . 1 . . . . 42 E CA . 17068 1 377 . 1 1 42 42 GLU CB C 13 30.299 0.020 . 1 . . . . 42 E CB . 17068 1 378 . 1 1 42 42 GLU N N 15 127.103 0.050 . 1 . . . . 42 E N . 17068 1 379 . 1 1 43 43 ALA H H 1 8.362 0.010 . 1 . . . . 43 A HN . 17068 1 380 . 1 1 43 43 ALA HA H 1 4.199 0.010 . 1 . . . . 43 A HA . 17068 1 381 . 1 1 43 43 ALA HB1 H 1 1.294 0.010 . 1 . . . . 43 A QB . 17068 1 382 . 1 1 43 43 ALA HB2 H 1 1.294 0.010 . 1 . . . . 43 A QB . 17068 1 383 . 1 1 43 43 ALA HB3 H 1 1.294 0.010 . 1 . . . . 43 A QB . 17068 1 384 . 1 1 43 43 ALA CA C 13 52.307 0.020 . 1 . . . . 43 A CA . 17068 1 385 . 1 1 43 43 ALA CB C 13 19.224 0.020 . 1 . . . . 43 A CB . 17068 1 386 . 1 1 43 43 ALA N N 15 125.316 0.050 . 1 . . . . 43 A N . 17068 1 387 . 1 1 44 44 HIS H H 1 8.550 0.010 . 1 . . . . 44 H HN . 17068 1 388 . 1 1 44 44 HIS HA H 1 4.584 0.010 . 1 . . . . 44 H HA . 17068 1 389 . 1 1 44 44 HIS HB2 H 1 3.387 0.010 . 2 . . . . 44 H QB . 17068 1 390 . 1 1 44 44 HIS HB3 H 1 3.387 0.010 . 2 . . . . 44 H QB . 17068 1 391 . 1 1 44 44 HIS CA C 13 52.984 0.020 . 1 . . . . 44 H CA . 17068 1 392 . 1 1 44 44 HIS CB C 13 28.923 0.020 . 1 . . . . 44 H CB . 17068 1 393 . 1 1 44 44 HIS N N 15 118.987 0.050 . 1 . . . . 44 H N . 17068 1 394 . 1 1 45 45 PRO HA H 1 4.423 0.010 . 1 . . . . 45 P HA . 17068 1 395 . 1 1 45 45 PRO HB2 H 1 2.282 0.010 . 2 . . . . 45 P QB . 17068 1 396 . 1 1 45 45 PRO HB3 H 1 2.282 0.010 . 2 . . . . 45 P QB . 17068 1 397 . 1 1 45 45 PRO HD2 H 1 3.581 0.010 . 2 . . . . 45 P QD . 17068 1 398 . 1 1 45 45 PRO HD3 H 1 3.581 0.010 . 2 . . . . 45 P QD . 17068 1 399 . 1 1 45 45 PRO HG2 H 1 1.913 0.010 . 2 . . . . 45 P QG . 17068 1 400 . 1 1 45 45 PRO HG3 H 1 1.913 0.010 . 2 . . . . 45 P QG . 17068 1 401 . 1 1 45 45 PRO CA C 13 63.177 0.020 . 1 . . . . 45 P CA . 17068 1 402 . 1 1 45 45 PRO CB C 13 32.098 0.020 . 1 . . . . 45 P CB . 17068 1 403 . 1 1 46 46 ASP H H 1 8.790 0.010 . 1 . . . . 46 D HN . 17068 1 404 . 1 1 46 46 ASP HA H 1 4.579 0.010 . 1 . . . . 46 D HA . 17068 1 405 . 1 1 46 46 ASP HB2 H 1 2.728 0.010 . 2 . . . . 46 D HB2 . 17068 1 406 . 1 1 46 46 ASP HB3 H 1 2.596 0.010 . 2 . . . . 46 D HB3 . 17068 1 407 . 1 1 46 46 ASP CA C 13 54.361 0.020 . 1 . . . . 46 D CA . 17068 1 408 . 1 1 46 46 ASP CB C 13 40.764 0.020 . 1 . . . . 46 D CB . 17068 1 409 . 1 1 46 46 ASP N N 15 120.834 0.050 . 1 . . . . 46 D N . 17068 1 410 . 1 1 47 47 CYS H H 1 8.364 0.010 . 1 . . . . 47 C HN . 17068 1 411 . 1 1 47 47 CYS HA H 1 4.435 0.010 . 1 . . . . 47 C HA . 17068 1 412 . 1 1 47 47 CYS HB2 H 1 2.850 0.010 . 2 . . . . 47 C QB . 17068 1 413 . 1 1 47 47 CYS HB3 H 1 2.850 0.010 . 2 . . . . 47 C QB . 17068 1 414 . 1 1 47 47 CYS CA C 13 57.947 0.020 . 1 . . . . 47 C CA . 17068 1 415 . 1 1 47 47 CYS CB C 13 28.064 0.020 . 1 . . . . 47 C CB . 17068 1 416 . 1 1 47 47 CYS N N 15 119.605 0.050 . 1 . . . . 47 C N . 17068 1 417 . 1 1 48 48 ILE H H 1 8.565 0.010 . 1 . . . . 48 I HN . 17068 1 418 . 1 1 48 48 ILE HA H 1 4.466 0.010 . 1 . . . . 48 I HA . 17068 1 419 . 1 1 48 48 ILE HB H 1 1.844 0.010 . 1 . . . . 48 I HB . 17068 1 420 . 1 1 48 48 ILE HD11 H 1 0.739 0.010 . 1 . . . . 48 I QD1 . 17068 1 421 . 1 1 48 48 ILE HD12 H 1 0.739 0.010 . 1 . . . . 48 I QD1 . 17068 1 422 . 1 1 48 48 ILE HD13 H 1 0.739 0.010 . 1 . . . . 48 I QD1 . 17068 1 423 . 1 1 48 48 ILE HG12 H 1 1.499 0.010 . 2 . . . . 48 I HG12 . 17068 1 424 . 1 1 48 48 ILE HG13 H 1 1.130 0.010 . 2 . . . . 48 I HG13 . 17068 1 425 . 1 1 48 48 ILE HG21 H 1 0.937 0.010 . 1 . . . . 48 I QG2 . 17068 1 426 . 1 1 48 48 ILE HG22 H 1 0.937 0.010 . 1 . . . . 48 I QG2 . 17068 1 427 . 1 1 48 48 ILE HG23 H 1 0.937 0.010 . 1 . . . . 48 I QG2 . 17068 1 428 . 1 1 48 48 ILE CA C 13 58.694 0.020 . 1 . . . . 48 I CA . 17068 1 429 . 1 1 48 48 ILE CB C 13 38.224 0.020 . 1 . . . . 48 I CB . 17068 1 430 . 1 1 48 48 ILE N N 15 126.404 0.050 . 1 . . . . 48 I N . 17068 1 431 . 1 1 49 49 PRO HA H 1 4.366 0.010 . 1 . . . . 49 P HA . 17068 1 432 . 1 1 49 49 PRO HB2 H 1 2.247 0.010 . 2 . . . . 49 P HB2 . 17068 1 433 . 1 1 49 49 PRO HB3 H 1 1.971 0.010 . 2 . . . . 49 P HB3 . 17068 1 434 . 1 1 49 49 PRO HG2 H 1 1.832 0.010 . 2 . . . . 49 P QG . 17068 1 435 . 1 1 49 49 PRO HG3 H 1 1.832 0.010 . 2 . . . . 49 P QG . 17068 1 436 . 1 1 49 49 PRO CA C 13 63.102 0.020 . 1 . . . . 49 P CA . 17068 1 437 . 1 1 49 49 PRO CB C 13 32.173 0.020 . 1 . . . . 49 P CB . 17068 1 438 . 1 1 50 50 ASP H H 1 8.581 0.010 . 1 . . . . 50 D HN . 17068 1 439 . 1 1 50 50 ASP HA H 1 4.533 0.010 . 1 . . . . 50 D HA . 17068 1 440 . 1 1 50 50 ASP HB2 H 1 2.689 0.010 . 2 . . . . 50 D HB2 . 17068 1 441 . 1 1 50 50 ASP HB3 H 1 2.573 0.010 . 2 . . . . 50 D HB3 . 17068 1 442 . 1 1 50 50 ASP CA C 13 54.585 0.020 . 1 . . . . 50 D CA . 17068 1 443 . 1 1 50 50 ASP CB C 13 40.988 0.020 . 1 . . . . 50 D CB . 17068 1 444 . 1 1 50 50 ASP N N 15 121.620 0.050 . 1 . . . . 50 D N . 17068 1 445 . 1 1 51 51 VAL H H 1 8.292 0.010 . 1 . . . . 51 V HN . 17068 1 446 . 1 1 51 51 VAL HA H 1 4.055 0.010 . 1 . . . . 51 V HA . 17068 1 447 . 1 1 51 51 VAL HB H 1 2.066 0.010 . 1 . . . . 51 V HB . 17068 1 448 . 1 1 51 51 VAL HG11 H 1 0.891 0.010 . 1 . . . . 51 V QQG . 17068 1 449 . 1 1 51 51 VAL HG12 H 1 0.891 0.010 . 1 . . . . 51 V QQG . 17068 1 450 . 1 1 51 51 VAL HG13 H 1 0.891 0.010 . 1 . . . . 51 V QQG . 17068 1 451 . 1 1 51 51 VAL HG21 H 1 0.891 0.010 . 1 . . . . 51 V QQG . 17068 1 452 . 1 1 51 51 VAL HG22 H 1 0.891 0.010 . 1 . . . . 51 V QQG . 17068 1 453 . 1 1 51 51 VAL HG23 H 1 0.891 0.010 . 1 . . . . 51 V QQG . 17068 1 454 . 1 1 51 51 VAL CA C 13 62.504 0.020 . 1 . . . . 51 V CA . 17068 1 455 . 1 1 51 51 VAL CB C 13 32.771 0.020 . 1 . . . . 51 V CB . 17068 1 456 . 1 1 51 51 VAL N N 15 121.103 0.050 . 1 . . . . 51 V N . 17068 1 457 . 1 1 52 52 GLU H H 1 8.580 0.010 . 1 . . . . 52 E HN . 17068 1 458 . 1 1 52 52 GLU HA H 1 4.224 0.010 . 1 . . . . 52 E HA . 17068 1 459 . 1 1 52 52 GLU HB2 H 1 1.951 0.010 . 2 . . . . 52 E QB . 17068 1 460 . 1 1 52 52 GLU HB3 H 1 1.951 0.010 . 2 . . . . 52 E QB . 17068 1 461 . 1 1 52 52 GLU HG2 H 1 2.292 0.010 . 2 . . . . 52 E QG . 17068 1 462 . 1 1 52 52 GLU HG3 H 1 2.292 0.010 . 2 . . . . 52 E QG . 17068 1 463 . 1 1 52 52 GLU CA C 13 56.535 0.020 . 1 . . . . 52 E CA . 17068 1 464 . 1 1 52 52 GLU CB C 13 29.925 0.020 . 1 . . . . 52 E CB . 17068 1 465 . 1 1 52 52 GLU N N 15 124.481 0.050 . 1 . . . . 52 E N . 17068 1 466 . 1 1 53 53 LEU H H 1 8.376 0.010 . 1 . . . . 53 L HN . 17068 1 467 . 1 1 53 53 LEU HA H 1 4.302 0.010 . 1 . . . . 53 L HA . 17068 1 468 . 1 1 53 53 LEU HB2 H 1 1.628 0.010 . 2 . . . . 53 L QB . 17068 1 469 . 1 1 53 53 LEU HB3 H 1 1.628 0.010 . 2 . . . . 53 L QB . 17068 1 470 . 1 1 53 53 LEU HD11 H 1 0.911 0.010 . 1 . . . . 53 L QQD . 17068 1 471 . 1 1 53 53 LEU HD12 H 1 0.911 0.010 . 1 . . . . 53 L QQD . 17068 1 472 . 1 1 53 53 LEU HD13 H 1 0.911 0.010 . 1 . . . . 53 L QQD . 17068 1 473 . 1 1 53 53 LEU HD21 H 1 0.911 0.010 . 1 . . . . 53 L QQD . 17068 1 474 . 1 1 53 53 LEU HD22 H 1 0.911 0.010 . 1 . . . . 53 L QQD . 17068 1 475 . 1 1 53 53 LEU HD23 H 1 0.911 0.010 . 1 . . . . 53 L QQD . 17068 1 476 . 1 1 53 53 LEU HG H 1 1.507 0.010 . 1 . . . . 53 L HG . 17068 1 477 . 1 1 53 53 LEU CA C 13 55.325 0.020 . 1 . . . . 53 L CA . 17068 1 478 . 1 1 53 53 LEU CB C 13 42.020 0.020 . 1 . . . . 53 L CB . 17068 1 479 . 1 1 53 53 LEU N N 15 123.677 0.050 . 1 . . . . 53 L N . 17068 1 480 . 1 1 54 54 SER H H 1 8.345 0.010 . 1 . . . . 54 S HN . 17068 1 481 . 1 1 54 54 SER HA H 1 4.348 0.010 . 1 . . . . 54 S HA . 17068 1 482 . 1 1 54 54 SER HB2 H 1 3.870 0.010 . 2 . . . . 54 S QB . 17068 1 483 . 1 1 54 54 SER HB3 H 1 3.870 0.010 . 2 . . . . 54 S QB . 17068 1 484 . 1 1 54 54 SER CA C 13 58.398 0.020 . 1 . . . . 54 S CA . 17068 1 485 . 1 1 54 54 SER CB C 13 63.586 0.020 . 1 . . . . 54 S CB . 17068 1 486 . 1 1 54 54 SER N N 15 116.105 0.050 . 1 . . . . 54 S N . 17068 1 487 . 1 1 55 55 HIS H H 1 8.498 0.010 . 1 . . . . 55 H HN . 17068 1 488 . 1 1 55 55 HIS HA H 1 4.671 0.010 . 1 . . . . 55 H HA . 17068 1 489 . 1 1 55 55 HIS HB2 H 1 3.242 0.010 . 2 . . . . 55 H HB2 . 17068 1 490 . 1 1 55 55 HIS HB3 H 1 3.127 0.010 . 2 . . . . 55 H HB3 . 17068 1 491 . 1 1 55 55 HIS CA C 13 55.601 0.020 . 1 . . . . 55 H CA . 17068 1 492 . 1 1 55 55 HIS CB C 13 29.407 0.020 . 1 . . . . 55 H CB . 17068 1 493 . 1 1 55 55 HIS N N 15 120.888 0.050 . 1 . . . . 55 H N . 17068 1 494 . 1 1 56 56 GLY H H 1 8.469 0.010 . 1 . . . . 56 G HN . 17068 1 495 . 1 1 56 56 GLY HA2 H 1 4.362 0.010 . 2 . . . . 56 G HA1 . 17068 1 496 . 1 1 56 56 GLY HA3 H 1 3.928 0.010 . 2 . . . . 56 G HA2 . 17068 1 497 . 1 1 56 56 GLY CA C 13 45.085 0.020 . 1 . . . . 56 G CA . 17068 1 498 . 1 1 56 56 GLY N N 15 109.800 0.050 . 1 . . . . 56 G N . 17068 1 499 . 1 1 57 57 VAL H H 1 8.214 0.010 . 1 . . . . 57 V HN . 17068 1 500 . 1 1 57 57 VAL HA H 1 4.095 0.010 . 1 . . . . 57 V HA . 17068 1 501 . 1 1 57 57 VAL HB H 1 2.040 0.010 . 1 . . . . 57 V HB . 17068 1 502 . 1 1 57 57 VAL HG11 H 1 0.914 0.010 . 1 . . . . 57 V QQG . 17068 1 503 . 1 1 57 57 VAL HG12 H 1 0.914 0.010 . 1 . . . . 57 V QQG . 17068 1 504 . 1 1 57 57 VAL HG13 H 1 0.914 0.010 . 1 . . . . 57 V QQG . 17068 1 505 . 1 1 57 57 VAL HG21 H 1 0.914 0.010 . 1 . . . . 57 V QQG . 17068 1 506 . 1 1 57 57 VAL HG22 H 1 0.914 0.010 . 1 . . . . 57 V QQG . 17068 1 507 . 1 1 57 57 VAL HG23 H 1 0.914 0.010 . 1 . . . . 57 V QQG . 17068 1 508 . 1 1 57 57 VAL CA C 13 62.314 0.020 . 1 . . . . 57 V CA . 17068 1 509 . 1 1 57 57 VAL CB C 13 32.666 0.020 . 1 . . . . 57 V CB . 17068 1 510 . 1 1 57 57 VAL N N 15 119.901 0.050 . 1 . . . . 57 V N . 17068 1 511 . 1 1 58 58 MET H H 1 8.684 0.010 . 1 . . . . 58 M HN . 17068 1 512 . 1 1 58 58 MET HA H 1 4.543 0.010 . 1 . . . . 58 M HA . 17068 1 513 . 1 1 58 58 MET HB2 H 1 2.051 0.010 . 2 . . . . 58 M QB . 17068 1 514 . 1 1 58 58 MET HB3 H 1 2.051 0.010 . 2 . . . . 58 M QB . 17068 1 515 . 1 1 58 58 MET HG2 H 1 2.512 0.010 . 2 . . . . 58 M QG . 17068 1 516 . 1 1 58 58 MET HG3 H 1 2.512 0.010 . 2 . . . . 58 M QG . 17068 1 517 . 1 1 58 58 MET CA C 13 55.202 0.020 . 1 . . . . 58 M CA . 17068 1 518 . 1 1 58 58 MET CB C 13 32.741 0.020 . 1 . . . . 58 M CB . 17068 1 519 . 1 1 58 58 MET N N 15 125.110 0.050 . 1 . . . . 58 M N . 17068 1 520 . 1 1 59 59 THR H H 1 8.355 0.010 . 1 . . . . 59 T HN . 17068 1 521 . 1 1 59 59 THR HA H 1 4.296 0.010 . 1 . . . . 59 T HA . 17068 1 522 . 1 1 59 59 THR HB H 1 4.134 0.010 . 1 . . . . 59 T HB . 17068 1 523 . 1 1 59 59 THR HG21 H 1 1.188 0.010 . 1 . . . . 59 T QG2 . 17068 1 524 . 1 1 59 59 THR HG22 H 1 1.188 0.010 . 1 . . . . 59 T QG2 . 17068 1 525 . 1 1 59 59 THR HG23 H 1 1.188 0.010 . 1 . . . . 59 T QG2 . 17068 1 526 . 1 1 59 59 THR CA C 13 61.790 0.020 . 1 . . . . 59 T CA . 17068 1 527 . 1 1 59 59 THR CB C 13 69.726 0.020 . 1 . . . . 59 T CB . 17068 1 528 . 1 1 59 59 THR N N 15 117.362 0.050 . 1 . . . . 59 T N . 17068 1 529 . 1 1 60 60 LEU H H 1 8.451 0.010 . 1 . . . . 60 L HN . 17068 1 530 . 1 1 60 60 LEU HA H 1 4.306 0.010 . 1 . . . . 60 L HA . 17068 1 531 . 1 1 60 60 LEU HB2 H 1 1.602 0.010 . 2 . . . . 60 L QB . 17068 1 532 . 1 1 60 60 LEU HB3 H 1 1.602 0.010 . 2 . . . . 60 L QB . 17068 1 533 . 1 1 60 60 LEU HD11 H 1 0.842 0.010 . 1 . . . . 60 L QQD . 17068 1 534 . 1 1 60 60 LEU HD12 H 1 0.842 0.010 . 1 . . . . 60 L QQD . 17068 1 535 . 1 1 60 60 LEU HD13 H 1 0.842 0.010 . 1 . . . . 60 L QQD . 17068 1 536 . 1 1 60 60 LEU HD21 H 1 0.842 0.010 . 1 . . . . 60 L QQD . 17068 1 537 . 1 1 60 60 LEU HD22 H 1 0.842 0.010 . 1 . . . . 60 L QQD . 17068 1 538 . 1 1 60 60 LEU HD23 H 1 0.842 0.010 . 1 . . . . 60 L QQD . 17068 1 539 . 1 1 60 60 LEU HG H 1 1.525 0.010 . 1 . . . . 60 L HG . 17068 1 540 . 1 1 60 60 LEU CA C 13 54.713 0.020 . 1 . . . . 60 L CA . 17068 1 541 . 1 1 60 60 LEU CB C 13 42.382 0.020 . 1 . . . . 60 L CB . 17068 1 542 . 1 1 60 60 LEU N N 15 125.390 0.050 . 1 . . . . 60 L N . 17068 1 543 . 1 1 61 61 GLU CA C 13 56.160 0.020 . 1 . . . . 61 E CA . 17068 1 544 . 1 1 61 61 GLU CB C 13 30.370 0.020 . 1 . . . . 61 E CB . 17068 1 545 . 1 1 62 62 ILE H H 1 8.475 0.010 . 1 . . . . 62 I HN . 17068 1 546 . 1 1 62 62 ILE HA H 1 4.383 0.010 . 1 . . . . 62 I HA . 17068 1 547 . 1 1 62 62 ILE HB H 1 1.809 0.010 . 1 . . . . 62 I HB . 17068 1 548 . 1 1 62 62 ILE HD11 H 1 0.832 0.010 . 1 . . . . 62 I QD1 . 17068 1 549 . 1 1 62 62 ILE HD12 H 1 0.832 0.010 . 1 . . . . 62 I QD1 . 17068 1 550 . 1 1 62 62 ILE HD13 H 1 0.832 0.010 . 1 . . . . 62 I QD1 . 17068 1 551 . 1 1 62 62 ILE HG12 H 1 1.548 0.010 . 2 . . . . 62 I HG12 . 17068 1 552 . 1 1 62 62 ILE HG13 H 1 1.291 0.010 . 2 . . . . 62 I HG13 . 17068 1 553 . 1 1 62 62 ILE HG21 H 1 0.902 0.010 . 1 . . . . 62 I QG2 . 17068 1 554 . 1 1 62 62 ILE HG22 H 1 0.902 0.010 . 1 . . . . 62 I QG2 . 17068 1 555 . 1 1 62 62 ILE HG23 H 1 0.902 0.010 . 1 . . . . 62 I QG2 . 17068 1 556 . 1 1 62 62 ILE CA C 13 58.478 0.020 . 1 . . . . 62 I CA . 17068 1 557 . 1 1 62 62 ILE CB C 13 38.434 0.020 . 1 . . . . 62 I CB . 17068 1 558 . 1 1 62 62 ILE N N 15 125.257 0.050 . 1 . . . . 62 I N . 17068 1 559 . 1 1 63 63 PRO HA H 1 4.304 0.010 . 1 . . . . 63 P HA . 17068 1 560 . 1 1 63 63 PRO HB2 H 1 2.160 0.010 . 2 . . . . 63 P QB . 17068 1 561 . 1 1 63 63 PRO HB3 H 1 2.160 0.010 . 2 . . . . 63 P QB . 17068 1 562 . 1 1 63 63 PRO CA C 13 62.957 0.020 . 1 . . . . 63 P CA . 17068 1 563 . 1 1 63 63 PRO CB C 13 32.159 0.020 . 1 . . . . 63 P CB . 17068 1 564 . 1 1 64 64 ALA H H 1 8.527 0.010 . 1 . . . . 64 A HN . 17068 1 565 . 1 1 64 64 ALA HA H 1 4.199 0.010 . 1 . . . . 64 A HA . 17068 1 566 . 1 1 64 64 ALA HB1 H 1 1.294 0.010 . 1 . . . . 64 A QB . 17068 1 567 . 1 1 64 64 ALA HB2 H 1 1.294 0.010 . 1 . . . . 64 A QB . 17068 1 568 . 1 1 64 64 ALA HB3 H 1 1.294 0.010 . 1 . . . . 64 A QB . 17068 1 569 . 1 1 64 64 ALA CA C 13 52.393 0.020 . 1 . . . . 64 A CA . 17068 1 570 . 1 1 64 64 ALA CB C 13 19.215 0.020 . 1 . . . . 64 A CB . 17068 1 571 . 1 1 64 64 ALA N N 15 124.468 0.050 . 1 . . . . 64 A N . 17068 1 572 . 1 1 65 65 PHE H H 1 8.421 0.010 . 1 . . . . 65 F HN . 17068 1 573 . 1 1 65 65 PHE HA H 1 4.533 0.010 . 1 . . . . 65 F HA . 17068 1 574 . 1 1 65 65 PHE HB2 H 1 3.081 0.010 . 2 . . . . 65 F QB . 17068 1 575 . 1 1 65 65 PHE HB3 H 1 3.081 0.010 . 2 . . . . 65 F QB . 17068 1 576 . 1 1 65 65 PHE CA C 13 58.137 0.020 . 1 . . . . 65 F CA . 17068 1 577 . 1 1 65 65 PHE CB C 13 39.375 0.020 . 1 . . . . 65 F CB . 17068 1 578 . 1 1 65 65 PHE N N 15 120.090 0.050 . 1 . . . . 65 F N . 17068 1 579 . 1 1 66 66 GLY H H 1 8.419 0.010 . 1 . . . . 66 G HN . 17068 1 580 . 1 1 66 66 GLY HA2 H 1 3.899 0.010 . 2 . . . . 66 G HA1 . 17068 1 581 . 1 1 66 66 GLY HA3 H 1 3.715 0.010 . 2 . . . . 66 G HA2 . 17068 1 582 . 1 1 66 66 GLY CA C 13 45.050 0.020 . 1 . . . . 66 G CA . 17068 1 583 . 1 1 66 66 GLY N N 15 111.459 0.050 . 1 . . . . 66 G N . 17068 1 584 . 1 1 67 67 THR H H 1 8.002 0.010 . 1 . . . . 67 T HN . 17068 1 585 . 1 1 67 67 THR HA H 1 4.250 0.010 . 1 . . . . 67 T HA . 17068 1 586 . 1 1 67 67 THR HB H 1 4.094 0.010 . 1 . . . . 67 T HB . 17068 1 587 . 1 1 67 67 THR HG21 H 1 1.076 0.010 . 1 . . . . 67 T QG2 . 17068 1 588 . 1 1 67 67 THR HG22 H 1 1.076 0.010 . 1 . . . . 67 T QG2 . 17068 1 589 . 1 1 67 67 THR HG23 H 1 1.076 0.010 . 1 . . . . 67 T QG2 . 17068 1 590 . 1 1 67 67 THR CA C 13 61.963 0.020 . 1 . . . . 67 T CA . 17068 1 591 . 1 1 67 67 THR CB C 13 69.949 0.020 . 1 . . . . 67 T CB . 17068 1 592 . 1 1 67 67 THR N N 15 113.879 0.050 . 1 . . . . 67 T N . 17068 1 593 . 1 1 68 68 TYR H H 1 8.325 0.010 . 1 . . . . 68 Y HN . 17068 1 594 . 1 1 68 68 TYR HA H 1 4.591 0.010 . 1 . . . . 68 Y HA . 17068 1 595 . 1 1 68 68 TYR HB2 H 1 2.977 0.010 . 2 . . . . 68 Y HB2 . 17068 1 596 . 1 1 68 68 TYR HB3 H 1 2.846 0.010 . 2 . . . . 68 Y HB3 . 17068 1 597 . 1 1 68 68 TYR HD1 H 1 7.039 0.010 . 3 . . . . 68 Y QD . 17068 1 598 . 1 1 68 68 TYR HD2 H 1 7.039 0.010 . 3 . . . . 68 Y QD . 17068 1 599 . 1 1 68 68 TYR CA C 13 57.634 0.020 . 1 . . . . 68 Y CA . 17068 1 600 . 1 1 68 68 TYR CB C 13 38.780 0.020 . 1 . . . . 68 Y CB . 17068 1 601 . 1 1 68 68 TYR N N 15 123.098 0.050 . 1 . . . . 68 Y N . 17068 1 602 . 1 1 69 69 VAL H H 1 8.189 0.010 . 1 . . . . 69 V HN . 17068 1 603 . 1 1 69 69 VAL HA H 1 3.974 0.010 . 1 . . . . 69 V HA . 17068 1 604 . 1 1 69 69 VAL HB H 1 1.885 0.010 . 1 . . . . 69 V HB . 17068 1 605 . 1 1 69 69 VAL HG11 H 1 0.841 0.010 . 1 . . . . 69 V QQG . 17068 1 606 . 1 1 69 69 VAL HG12 H 1 0.841 0.010 . 1 . . . . 69 V QQG . 17068 1 607 . 1 1 69 69 VAL HG13 H 1 0.841 0.010 . 1 . . . . 69 V QQG . 17068 1 608 . 1 1 69 69 VAL HG21 H 1 0.841 0.010 . 1 . . . . 69 V QQG . 17068 1 609 . 1 1 69 69 VAL HG22 H 1 0.841 0.010 . 1 . . . . 69 V QQG . 17068 1 610 . 1 1 69 69 VAL HG23 H 1 0.841 0.010 . 1 . . . . 69 V QQG . 17068 1 611 . 1 1 69 69 VAL CA C 13 61.963 0.020 . 1 . . . . 69 V CA . 17068 1 612 . 1 1 69 69 VAL CB C 13 33.126 0.020 . 1 . . . . 69 V CB . 17068 1 613 . 1 1 69 69 VAL N N 15 123.972 0.050 . 1 . . . . 69 V N . 17068 1 614 . 1 1 70 70 ILE H H 1 8.349 0.010 . 1 . . . . 70 I HN . 17068 1 615 . 1 1 70 70 ILE HA H 1 4.014 0.010 . 1 . . . . 70 I HA . 17068 1 616 . 1 1 70 70 ILE HB H 1 1.767 0.010 . 1 . . . . 70 I HB . 17068 1 617 . 1 1 70 70 ILE HG12 H 1 1.476 0.010 . 2 . . . . 70 I HG12 . 17068 1 618 . 1 1 70 70 ILE HG13 H 1 1.137 0.010 . 2 . . . . 70 I HG13 . 17068 1 619 . 1 1 70 70 ILE HG21 H 1 0.856 0.010 . 1 . . . . 70 I QG2 . 17068 1 620 . 1 1 70 70 ILE HG22 H 1 0.856 0.010 . 1 . . . . 70 I QG2 . 17068 1 621 . 1 1 70 70 ILE HG23 H 1 0.856 0.010 . 1 . . . . 70 I QG2 . 17068 1 622 . 1 1 70 70 ILE CA C 13 61.157 0.020 . 1 . . . . 70 I CA . 17068 1 623 . 1 1 70 70 ILE CB C 13 38.631 0.020 . 1 . . . . 70 I CB . 17068 1 624 . 1 1 70 70 ILE N N 15 125.774 0.050 . 1 . . . . 70 I N . 17068 1 625 . 1 1 71 71 ASN H H 1 8.638 0.010 . 1 . . . . 71 N HN . 17068 1 626 . 1 1 71 71 ASN HA H 1 4.660 0.010 . 1 . . . . 71 N HA . 17068 1 627 . 1 1 71 71 ASN HB2 H 1 2.815 0.010 . 2 . . . . 71 N HB2 . 17068 1 628 . 1 1 71 71 ASN HB3 H 1 2.713 0.010 . 2 . . . . 71 N HB3 . 17068 1 629 . 1 1 71 71 ASN CA C 13 53.037 0.020 . 1 . . . . 71 N CA . 17068 1 630 . 1 1 71 71 ASN CB C 13 38.929 0.020 . 1 . . . . 71 N CB . 17068 1 631 . 1 1 71 71 ASN N N 15 123.721 0.050 . 1 . . . . 71 N N . 17068 1 632 . 1 1 81 81 LEU CA C 13 55.107 0.020 . 1 . . . . 81 L CA . 17068 1 633 . 1 1 81 81 LEU CB C 13 42.317 0.020 . 1 . . . . 81 L CB . 17068 1 634 . 1 1 82 82 ALA H H 1 8.410 0.010 . 1 . . . . 82 A HN . 17068 1 635 . 1 1 82 82 ALA HA H 1 4.215 0.010 . 1 . . . . 82 A HA . 17068 1 636 . 1 1 82 82 ALA HB1 H 1 1.282 0.010 . 1 . . . . 82 A QB . 17068 1 637 . 1 1 82 82 ALA HB2 H 1 1.282 0.010 . 1 . . . . 82 A QB . 17068 1 638 . 1 1 82 82 ALA HB3 H 1 1.282 0.010 . 1 . . . . 82 A QB . 17068 1 639 . 1 1 82 82 ALA CA C 13 52.377 0.020 . 1 . . . . 82 A CA . 17068 1 640 . 1 1 82 82 ALA CB C 13 19.266 0.020 . 1 . . . . 82 A CB . 17068 1 641 . 1 1 82 82 ALA N N 15 125.637 0.050 . 1 . . . . 82 A N . 17068 1 642 . 1 1 83 83 SER H H 1 8.311 0.010 . 1 . . . . 83 S HN . 17068 1 643 . 1 1 83 83 SER HA H 1 4.648 0.010 . 1 . . . . 83 S HA . 17068 1 644 . 1 1 83 83 SER HB2 H 1 3.790 0.010 . 2 . . . . 83 S QB . 17068 1 645 . 1 1 83 83 SER HB3 H 1 3.790 0.010 . 2 . . . . 83 S QB . 17068 1 646 . 1 1 83 83 SER CA C 13 56.005 0.020 . 1 . . . . 83 S CA . 17068 1 647 . 1 1 83 83 SER CB C 13 63.263 0.020 . 1 . . . . 83 S CB . 17068 1 648 . 1 1 83 83 SER N N 15 116.567 0.050 . 1 . . . . 83 S N . 17068 1 649 . 1 1 84 84 PRO CA C 13 62.138 0.020 . 1 . . . . 84 P CA . 17068 1 650 . 1 1 84 84 PRO CB C 13 34.763 0.020 . 1 . . . . 84 P CB . 17068 1 651 . 1 1 85 85 LEU H H 1 8.715 0.010 . 1 . . . . 85 L HN . 17068 1 652 . 1 1 85 85 LEU HA H 1 4.291 0.010 . 1 . . . . 85 L HA . 17068 1 653 . 1 1 85 85 LEU HB2 H 1 1.624 0.010 . 2 . . . . 85 L QB . 17068 1 654 . 1 1 85 85 LEU HB3 H 1 1.624 0.010 . 2 . . . . 85 L QB . 17068 1 655 . 1 1 85 85 LEU HD11 H 1 0.883 0.010 . 1 . . . . 85 L QQD . 17068 1 656 . 1 1 85 85 LEU HD12 H 1 0.883 0.010 . 1 . . . . 85 L QQD . 17068 1 657 . 1 1 85 85 LEU HD13 H 1 0.883 0.010 . 1 . . . . 85 L QQD . 17068 1 658 . 1 1 85 85 LEU HD21 H 1 0.883 0.010 . 1 . . . . 85 L QQD . 17068 1 659 . 1 1 85 85 LEU HD22 H 1 0.883 0.010 . 1 . . . . 85 L QQD . 17068 1 660 . 1 1 85 85 LEU HD23 H 1 0.883 0.010 . 1 . . . . 85 L QQD . 17068 1 661 . 1 1 85 85 LEU HG H 1 1.537 0.010 . 1 . . . . 85 L HG . 17068 1 662 . 1 1 85 85 LEU CA C 13 55.592 0.020 . 1 . . . . 85 L CA . 17068 1 663 . 1 1 85 85 LEU CB C 13 42.202 0.020 . 1 . . . . 85 L CB . 17068 1 664 . 1 1 85 85 LEU N N 15 121.893 0.050 . 1 . . . . 85 L N . 17068 1 665 . 1 1 86 86 SER H H 1 8.587 0.010 . 1 . . . . 86 S HN . 17068 1 666 . 1 1 86 86 SER HA H 1 4.547 0.010 . 1 . . . . 86 S HA . 17068 1 667 . 1 1 86 86 SER HB2 H 1 3.850 0.010 . 2 . . . . 86 S QB . 17068 1 668 . 1 1 86 86 SER HB3 H 1 3.850 0.010 . 2 . . . . 86 S QB . 17068 1 669 . 1 1 86 86 SER CA C 13 58.273 0.020 . 1 . . . . 86 S CA . 17068 1 670 . 1 1 86 86 SER CB C 13 63.716 0.020 . 1 . . . . 86 S CB . 17068 1 671 . 1 1 86 86 SER N N 15 118.473 0.050 . 1 . . . . 86 S N . 17068 1 672 . 1 1 87 87 GLY H H 1 8.327 0.010 . 1 . . . . 87 G HN . 17068 1 673 . 1 1 87 87 GLY HA2 H 1 4.082 0.010 . 2 . . . . 87 G HA1 . 17068 1 674 . 1 1 87 87 GLY HA3 H 1 3.573 0.010 . 2 . . . . 87 G HA2 . 17068 1 675 . 1 1 87 87 GLY CA C 13 44.666 0.020 . 1 . . . . 87 G CA . 17068 1 676 . 1 1 87 87 GLY N N 15 110.721 0.050 . 1 . . . . 87 G N . 17068 1 677 . 1 1 88 88 PRO HA H 1 4.377 0.010 . 1 . . . . 88 P HA . 17068 1 678 . 1 1 88 88 PRO HB3 H 1 1.860 0.010 . 2 . . . . 88 P HB3 . 17068 1 679 . 1 1 88 88 PRO CA C 13 62.809 0.020 . 1 . . . . 88 P CA . 17068 1 680 . 1 1 88 88 PRO CB C 13 31.815 0.020 . 1 . . . . 88 P CB . 17068 1 681 . 1 1 89 89 ASN H H 1 8.596 0.010 . 1 . . . . 89 N HN . 17068 1 682 . 1 1 89 89 ASN HA H 1 4.630 0.010 . 1 . . . . 89 N HA . 17068 1 683 . 1 1 89 89 ASN HB2 H 1 2.719 0.010 . 2 . . . . 89 N QB . 17068 1 684 . 1 1 89 89 ASN HB3 H 1 2.719 0.010 . 2 . . . . 89 N QB . 17068 1 685 . 1 1 89 89 ASN CA C 13 53.133 0.020 . 1 . . . . 89 N CA . 17068 1 686 . 1 1 89 89 ASN CB C 13 38.770 0.020 . 1 . . . . 89 N CB . 17068 1 687 . 1 1 89 89 ASN N N 15 118.788 0.050 . 1 . . . . 89 N N . 17068 1 688 . 1 1 90 90 ARG H H 1 8.695 0.010 . 1 . . . . 90 R HN . 17068 1 689 . 1 1 90 90 ARG HA H 1 4.245 0.010 . 1 . . . . 90 R HA . 17068 1 690 . 1 1 90 90 ARG HB2 H 1 1.913 0.010 . 2 . . . . 90 R QB . 17068 1 691 . 1 1 90 90 ARG HB3 H 1 1.913 0.010 . 2 . . . . 90 R QB . 17068 1 692 . 1 1 90 90 ARG HD2 H 1 3.191 0.010 . 2 . . . . 90 R QD . 17068 1 693 . 1 1 90 90 ARG HD3 H 1 3.191 0.010 . 2 . . . . 90 R QD . 17068 1 694 . 1 1 90 90 ARG HG2 H 1 1.591 0.010 . 2 . . . . 90 R QG . 17068 1 695 . 1 1 90 90 ARG HG3 H 1 1.591 0.010 . 2 . . . . 90 R QG . 17068 1 696 . 1 1 90 90 ARG CA C 13 56.308 0.020 . 1 . . . . 90 R CA . 17068 1 697 . 1 1 90 90 ARG CB C 13 30.303 0.020 . 1 . . . . 90 R CB . 17068 1 698 . 1 1 90 90 ARG N N 15 124.253 0.050 . 1 . . . . 90 R N . 17068 1 699 . 1 1 94 94 LEU CA C 13 54.706 0.020 . 1 . . . . 94 L CA . 17068 1 700 . 1 1 94 94 LEU CB C 13 42.564 0.020 . 1 . . . . 94 L CB . 17068 1 701 . 1 1 95 95 ASN H H 1 8.534 0.010 . 1 . . . . 95 N HN . 17068 1 702 . 1 1 95 95 ASN HA H 1 4.625 0.010 . 1 . . . . 95 N HA . 17068 1 703 . 1 1 95 95 ASN HB2 H 1 2.712 0.010 . 2 . . . . 95 N HB2 . 17068 1 704 . 1 1 95 95 ASN HB3 H 1 2.643 0.010 . 2 . . . . 95 N HB3 . 17068 1 705 . 1 1 95 95 ASN CA C 13 52.982 0.020 . 1 . . . . 95 N CA . 17068 1 706 . 1 1 95 95 ASN CB C 13 38.467 0.020 . 1 . . . . 95 N CB . 17068 1 707 . 1 1 95 95 ASN N N 15 120.586 0.050 . 1 . . . . 95 N N . 17068 1 708 . 1 1 96 96 GLY H H 1 8.600 0.010 . 1 . . . . 96 G HN . 17068 1 709 . 1 1 96 96 GLY HA2 H 1 3.928 0.010 . 2 . . . . 96 G QA . 17068 1 710 . 1 1 96 96 GLY HA3 H 1 3.928 0.010 . 2 . . . . 96 G QA . 17068 1 711 . 1 1 96 96 GLY CA C 13 45.120 0.020 . 1 . . . . 96 G CA . 17068 1 712 . 1 1 96 96 GLY N N 15 109.841 0.050 . 1 . . . . 96 G N . 17068 1 713 . 1 1 98 98 TRP CA C 13 58.468 0.020 . 1 . . . . 98 W CA . 17068 1 714 . 1 1 98 98 TRP CB C 13 30.181 0.020 . 1 . . . . 98 W CB . 17068 1 715 . 1 1 99 99 VAL H H 1 8.217 0.010 . 1 . . . . 99 V HN . 17068 1 716 . 1 1 99 99 VAL HA H 1 4.281 0.010 . 1 . . . . 99 V HA . 17068 1 717 . 1 1 99 99 VAL HB H 1 2.397 0.010 . 1 . . . . 99 V HB . 17068 1 718 . 1 1 99 99 VAL HG11 H 1 0.872 0.010 . 1 . . . . 99 V QQG . 17068 1 719 . 1 1 99 99 VAL HG12 H 1 0.872 0.010 . 1 . . . . 99 V QQG . 17068 1 720 . 1 1 99 99 VAL HG13 H 1 0.872 0.010 . 1 . . . . 99 V QQG . 17068 1 721 . 1 1 99 99 VAL HG21 H 1 0.872 0.010 . 1 . . . . 99 V QQG . 17068 1 722 . 1 1 99 99 VAL HG22 H 1 0.872 0.010 . 1 . . . . 99 V QQG . 17068 1 723 . 1 1 99 99 VAL HG23 H 1 0.872 0.010 . 1 . . . . 99 V QQG . 17068 1 724 . 1 1 99 99 VAL CA C 13 62.658 0.020 . 1 . . . . 99 V CA . 17068 1 725 . 1 1 99 99 VAL CB C 13 34.536 0.020 . 1 . . . . 99 V CB . 17068 1 726 . 1 1 99 99 VAL N N 15 124.297 0.050 . 1 . . . . 99 V N . 17068 1 727 . 1 1 100 100 SER H H 1 8.450 0.010 . 1 . . . . 100 S HN . 17068 1 728 . 1 1 100 100 SER HA H 1 4.374 0.010 . 1 . . . . 100 S HA . 17068 1 729 . 1 1 100 100 SER HB2 H 1 3.924 0.010 . 2 . . . . 100 S HB2 . 17068 1 730 . 1 1 100 100 SER HB3 H 1 3.834 0.010 . 2 . . . . 100 S HB3 . 17068 1 731 . 1 1 100 100 SER CA C 13 58.323 0.020 . 1 . . . . 100 S CA . 17068 1 732 . 1 1 100 100 SER CB C 13 63.653 0.020 . 1 . . . . 100 S CB . 17068 1 733 . 1 1 100 100 SER N N 15 114.172 0.050 . 1 . . . . 100 S N . 17068 1 734 . 1 1 101 101 LEU CA C 13 55.526 0.020 . 1 . . . . 101 L CA . 17068 1 735 . 1 1 101 101 LEU CB C 13 42.152 0.020 . 1 . . . . 101 L CB . 17068 1 736 . 1 1 102 102 ARG H H 1 8.615 0.010 . 1 . . . . 102 R HN . 17068 1 737 . 1 1 102 102 ARG HA H 1 4.273 0.010 . 1 . . . . 102 R HA . 17068 1 738 . 1 1 102 102 ARG HB2 H 1 1.879 0.010 . 2 . . . . 102 R QB . 17068 1 739 . 1 1 102 102 ARG HB3 H 1 1.879 0.010 . 2 . . . . 102 R QB . 17068 1 740 . 1 1 102 102 ARG HD2 H 1 3.191 0.010 . 2 . . . . 102 R QD . 17068 1 741 . 1 1 102 102 ARG HD3 H 1 3.191 0.010 . 2 . . . . 102 R QD . 17068 1 742 . 1 1 102 102 ARG HG2 H 1 1.625 0.010 . 2 . . . . 102 R QG . 17068 1 743 . 1 1 102 102 ARG HG3 H 1 1.625 0.010 . 2 . . . . 102 R QG . 17068 1 744 . 1 1 102 102 ARG CA C 13 56.232 0.020 . 1 . . . . 102 R CA . 17068 1 745 . 1 1 102 102 ARG CB C 13 30.378 0.020 . 1 . . . . 102 R CB . 17068 1 746 . 1 1 102 102 ARG N N 15 121.987 0.050 . 1 . . . . 102 R N . 17068 1 747 . 1 1 103 103 ASN CA C 13 53.240 0.020 . 1 . . . . 103 N CA . 17068 1 748 . 1 1 103 103 ASN CB C 13 38.769 0.020 . 1 . . . . 103 N CB . 17068 1 749 . 1 1 104 104 GLY H H 1 8.442 0.010 . 1 . . . . 104 G HN . 17068 1 750 . 1 1 104 104 GLY HA2 H 1 4.215 0.010 . 2 . . . . 104 G HA1 . 17068 1 751 . 1 1 104 104 GLY HA3 H 1 3.934 0.010 . 2 . . . . 104 G HA2 . 17068 1 752 . 1 1 104 104 GLY CA C 13 45.271 0.020 . 1 . . . . 104 G CA . 17068 1 753 . 1 1 104 104 GLY N N 15 109.411 0.050 . 1 . . . . 104 G N . 17068 1 754 . 1 1 105 105 THR H H 1 8.161 0.010 . 1 . . . . 105 T HN . 17068 1 755 . 1 1 105 105 THR HA H 1 4.292 0.010 . 1 . . . . 105 T HA . 17068 1 756 . 1 1 105 105 THR HB H 1 4.166 0.010 . 1 . . . . 105 T HB . 17068 1 757 . 1 1 105 105 THR CA C 13 62.053 0.020 . 1 . . . . 105 T CA . 17068 1 758 . 1 1 105 105 THR CB C 13 69.764 0.020 . 1 . . . . 105 T CB . 17068 1 759 . 1 1 105 105 THR N N 15 114.575 0.050 . 1 . . . . 105 T N . 17068 1 760 . 1 1 106 106 LYS CA C 13 56.414 0.020 . 1 . . . . 106 K CA . 17068 1 761 . 1 1 106 106 LYS CB C 13 33.087 0.020 . 1 . . . . 106 K CB . 17068 1 762 . 1 1 107 107 LEU H H 1 8.508 0.010 . 1 . . . . 107 L HN . 17068 1 763 . 1 1 107 107 LEU HA H 1 4.360 0.010 . 1 . . . . 107 L HA . 17068 1 764 . 1 1 107 107 LEU HB2 H 1 1.640 0.010 . 2 . . . . 107 L QB . 17068 1 765 . 1 1 107 107 LEU HB3 H 1 1.640 0.010 . 2 . . . . 107 L QB . 17068 1 766 . 1 1 107 107 LEU HD11 H 1 0.865 0.010 . 1 . . . . 107 L QQD . 17068 1 767 . 1 1 107 107 LEU HD12 H 1 0.865 0.010 . 1 . . . . 107 L QQD . 17068 1 768 . 1 1 107 107 LEU HD13 H 1 0.865 0.010 . 1 . . . . 107 L QQD . 17068 1 769 . 1 1 107 107 LEU HD21 H 1 0.865 0.010 . 1 . . . . 107 L QQD . 17068 1 770 . 1 1 107 107 LEU HD22 H 1 0.865 0.010 . 1 . . . . 107 L QQD . 17068 1 771 . 1 1 107 107 LEU HD23 H 1 0.865 0.010 . 1 . . . . 107 L QQD . 17068 1 772 . 1 1 107 107 LEU CA C 13 55.023 0.020 . 1 . . . . 107 L CA . 17068 1 773 . 1 1 107 107 LEU CB C 13 42.020 0.020 . 1 . . . . 107 L CB . 17068 1 774 . 1 1 107 107 LEU N N 15 124.534 0.050 . 1 . . . . 107 L N . 17068 1 775 . 1 1 108 108 THR H H 1 8.248 0.010 . 1 . . . . 108 T HN . 17068 1 776 . 1 1 108 108 THR HA H 1 4.400 0.010 . 1 . . . . 108 T HA . 17068 1 777 . 1 1 108 108 THR HB H 1 4.238 0.010 . 1 . . . . 108 T HB . 17068 1 778 . 1 1 108 108 THR HG21 H 1 1.176 0.010 . 1 . . . . 108 T QG2 . 17068 1 779 . 1 1 108 108 THR HG22 H 1 1.176 0.010 . 1 . . . . 108 T QG2 . 17068 1 780 . 1 1 108 108 THR HG23 H 1 1.176 0.010 . 1 . . . . 108 T QG2 . 17068 1 781 . 1 1 108 108 THR CA C 13 62.204 0.020 . 1 . . . . 108 T CA . 17068 1 782 . 1 1 108 108 THR CB C 13 69.764 0.020 . 1 . . . . 108 T CB . 17068 1 783 . 1 1 108 108 THR N N 15 116.152 0.050 . 1 . . . . 108 T N . 17068 1 784 . 1 1 109 109 ASP H H 1 8.272 0.010 . 1 . . . . 109 D HN . 17068 1 785 . 1 1 109 109 ASP HA H 1 4.544 0.010 . 1 . . . . 109 D HA . 17068 1 786 . 1 1 109 109 ASP HB2 H 1 1.890 0.010 . 2 . . . . 109 D QB . 17068 1 787 . 1 1 109 109 ASP HB3 H 1 1.890 0.010 . 2 . . . . 109 D QB . 17068 1 788 . 1 1 109 109 ASP CA C 13 54.796 0.020 . 1 . . . . 109 D CA . 17068 1 789 . 1 1 109 109 ASP CB C 13 40.886 0.020 . 1 . . . . 109 D CB . 17068 1 790 . 1 1 109 109 ASP N N 15 122.852 0.050 . 1 . . . . 109 D N . 17068 1 791 . 1 1 112 112 THR CA C 13 62.307 0.020 . 1 . . . . 112 T CA . 17068 1 792 . 1 1 112 112 THR CB C 13 69.735 0.020 . 1 . . . . 112 T CB . 17068 1 793 . 1 1 113 113 GLU H H 1 8.532 0.010 . 1 . . . . 113 E HN . 17068 1 794 . 1 1 113 113 GLU HA H 1 4.245 0.010 . 1 . . . . 113 E HA . 17068 1 795 . 1 1 113 113 GLU HB2 H 1 2.193 0.010 . 2 . . . . 113 E HB2 . 17068 1 796 . 1 1 113 113 GLU HB3 H 1 1.982 0.010 . 2 . . . . 113 E HB3 . 17068 1 797 . 1 1 113 113 GLU CA C 13 56.294 0.020 . 1 . . . . 113 E CA . 17068 1 798 . 1 1 113 113 GLU CB C 13 30.219 0.020 . 1 . . . . 113 E CB . 17068 1 799 . 1 1 113 113 GLU N N 15 123.392 0.050 . 1 . . . . 113 E N . 17068 1 800 . 1 1 114 114 GLU H H 1 8.547 0.010 . 1 . . . . 114 E HN . 17068 1 801 . 1 1 114 114 GLU HA H 1 4.222 0.010 . 1 . . . . 114 E HA . 17068 1 802 . 1 1 114 114 GLU HB2 H 1 1.916 0.010 . 2 . . . . 114 E QB . 17068 1 803 . 1 1 114 114 GLU HB3 H 1 1.916 0.010 . 2 . . . . 114 E QB . 17068 1 804 . 1 1 114 114 GLU HG2 H 1 2.216 0.010 . 2 . . . . 114 E QG . 17068 1 805 . 1 1 114 114 GLU HG3 H 1 2.216 0.010 . 2 . . . . 114 E QG . 17068 1 806 . 1 1 114 114 GLU CA C 13 56.837 0.020 . 1 . . . . 114 E CA . 17068 1 807 . 1 1 114 114 GLU CB C 13 29.925 0.020 . 1 . . . . 114 E CB . 17068 1 808 . 1 1 114 114 GLU N N 15 122.273 0.050 . 1 . . . . 114 E N . 17068 1 809 . 1 1 115 115 VAL H H 1 8.246 0.010 . 1 . . . . 115 V HN . 17068 1 810 . 1 1 115 115 VAL HA H 1 3.973 0.010 . 1 . . . . 115 V HA . 17068 1 811 . 1 1 115 115 VAL HB H 1 2.043 0.010 . 1 . . . . 115 V HB . 17068 1 812 . 1 1 115 115 VAL HG11 H 1 0.915 0.010 . 1 . . . . 115 V QQG . 17068 1 813 . 1 1 115 115 VAL HG12 H 1 0.915 0.010 . 1 . . . . 115 V QQG . 17068 1 814 . 1 1 115 115 VAL HG13 H 1 0.915 0.010 . 1 . . . . 115 V QQG . 17068 1 815 . 1 1 115 115 VAL HG21 H 1 0.915 0.010 . 1 . . . . 115 V QQG . 17068 1 816 . 1 1 115 115 VAL HG22 H 1 0.915 0.010 . 1 . . . . 115 V QQG . 17068 1 817 . 1 1 115 115 VAL HG23 H 1 0.915 0.010 . 1 . . . . 115 V QQG . 17068 1 818 . 1 1 115 115 VAL CA C 13 63.187 0.020 . 1 . . . . 115 V CA . 17068 1 819 . 1 1 115 115 VAL CB C 13 32.495 0.020 . 1 . . . . 115 V CB . 17068 1 820 . 1 1 115 115 VAL N N 15 122.216 0.050 . 1 . . . . 115 V N . 17068 1 821 . 1 1 116 116 GLU H H 1 8.379 0.010 . 1 . . . . 116 E HN . 17068 1 822 . 1 1 116 116 GLU HA H 1 4.049 0.010 . 1 . . . . 116 E HA . 17068 1 823 . 1 1 116 116 GLU CA C 13 56.610 0.020 . 1 . . . . 116 E CA . 17068 1 824 . 1 1 116 116 GLU CB C 13 29.849 0.020 . 1 . . . . 116 E CB . 17068 1 825 . 1 1 116 116 GLU N N 15 123.670 0.050 . 1 . . . . 116 E N . 17068 1 826 . 1 1 117 117 LYS H H 1 8.455 0.010 . 1 . . . . 117 K HN . 17068 1 827 . 1 1 117 117 LYS HA H 1 4.332 0.010 . 1 . . . . 117 K HA . 17068 1 828 . 1 1 117 117 LYS HB2 H 1 1.965 0.010 . 2 . . . . 117 K HB2 . 17068 1 829 . 1 1 117 117 LYS HB3 H 1 1.866 0.010 . 2 . . . . 117 K HB3 . 17068 1 830 . 1 1 117 117 LYS HD2 H 1 1.681 0.010 . 2 . . . . 117 K QD . 17068 1 831 . 1 1 117 117 LYS HD3 H 1 1.681 0.010 . 2 . . . . 117 K QD . 17068 1 832 . 1 1 117 117 LYS HG2 H 1 1.475 0.010 . 2 . . . . 117 K QG . 17068 1 833 . 1 1 117 117 LYS HG3 H 1 1.475 0.010 . 2 . . . . 117 K QG . 17068 1 834 . 1 1 117 117 LYS CA C 13 56.459 0.020 . 1 . . . . 117 K CA . 17068 1 835 . 1 1 117 117 LYS CB C 13 33.024 0.020 . 1 . . . . 117 K CB . 17068 1 836 . 1 1 117 117 LYS N N 15 122.251 0.050 . 1 . . . . 117 K N . 17068 1 837 . 1 1 118 118 ALA H H 1 8.321 0.010 . 1 . . . . 118 A HN . 17068 1 838 . 1 1 118 118 ALA HA H 1 4.247 0.010 . 1 . . . . 118 A HA . 17068 1 839 . 1 1 118 118 ALA HB1 H 1 1.369 0.010 . 1 . . . . 118 A QB . 17068 1 840 . 1 1 118 118 ALA HB2 H 1 1.369 0.010 . 1 . . . . 118 A QB . 17068 1 841 . 1 1 118 118 ALA HB3 H 1 1.369 0.010 . 1 . . . . 118 A QB . 17068 1 842 . 1 1 118 118 ALA CA C 13 52.633 0.020 . 1 . . . . 118 A CA . 17068 1 843 . 1 1 118 118 ALA CB C 13 18.991 0.020 . 1 . . . . 118 A CB . 17068 1 844 . 1 1 118 118 ALA N N 15 125.183 0.050 . 1 . . . . 118 A N . 17068 1 845 . 1 1 119 119 ILE H H 1 8.289 0.010 . 1 . . . . 119 I HN . 17068 1 846 . 1 1 119 119 ILE HA H 1 4.091 0.010 . 1 . . . . 119 I HA . 17068 1 847 . 1 1 119 119 ILE HB H 1 1.859 0.010 . 1 . . . . 119 I HB . 17068 1 848 . 1 1 119 119 ILE HD11 H 1 0.835 0.010 . 1 . . . . 119 I QD1 . 17068 1 849 . 1 1 119 119 ILE HD12 H 1 0.835 0.010 . 1 . . . . 119 I QD1 . 17068 1 850 . 1 1 119 119 ILE HD13 H 1 0.835 0.010 . 1 . . . . 119 I QD1 . 17068 1 851 . 1 1 119 119 ILE HG12 H 1 1.522 0.010 . 2 . . . . 119 I HG12 . 17068 1 852 . 1 1 119 119 ILE HG13 H 1 1.153 0.010 . 2 . . . . 119 I HG13 . 17068 1 853 . 1 1 119 119 ILE HG21 H 1 0.913 0.010 . 1 . . . . 119 I QG2 . 17068 1 854 . 1 1 119 119 ILE HG22 H 1 0.913 0.010 . 1 . . . . 119 I QG2 . 17068 1 855 . 1 1 119 119 ILE HG23 H 1 0.913 0.010 . 1 . . . . 119 I QG2 . 17068 1 856 . 1 1 119 119 ILE CA C 13 61.340 0.020 . 1 . . . . 119 I CA . 17068 1 857 . 1 1 119 119 ILE CB C 13 38.560 0.020 . 1 . . . . 119 I CB . 17068 1 858 . 1 1 119 119 ILE N N 15 120.694 0.050 . 1 . . . . 119 I N . 17068 1 859 . 1 1 120 120 SER H H 1 8.486 0.010 . 1 . . . . 120 S HN . 17068 1 860 . 1 1 120 120 SER HA H 1 4.395 0.010 . 1 . . . . 120 S HA . 17068 1 861 . 1 1 120 120 SER HB2 H 1 3.841 0.010 . 2 . . . . 120 S QB . 17068 1 862 . 1 1 120 120 SER HB3 H 1 3.841 0.010 . 2 . . . . 120 S QB . 17068 1 863 . 1 1 120 120 SER CA C 13 58.198 0.020 . 1 . . . . 120 S CA . 17068 1 864 . 1 1 120 120 SER CB C 13 63.641 0.020 . 1 . . . . 120 S CB . 17068 1 865 . 1 1 120 120 SER N N 15 120.414 0.050 . 1 . . . . 120 S N . 17068 1 866 . 1 1 121 121 LYS H H 1 8.570 0.010 . 1 . . . . 121 K HN . 17068 1 867 . 1 1 121 121 LYS HA H 1 4.194 0.010 . 1 . . . . 121 K HA . 17068 1 868 . 1 1 121 121 LYS HB2 H 1 1.961 0.010 . 2 . . . . 121 K QB . 17068 1 869 . 1 1 121 121 LYS HB3 H 1 1.961 0.010 . 2 . . . . 121 K QB . 17068 1 870 . 1 1 121 121 LYS HD2 H 1 1.625 0.010 . 2 . . . . 121 K QD . 17068 1 871 . 1 1 121 121 LYS HD3 H 1 1.625 0.010 . 2 . . . . 121 K QD . 17068 1 872 . 1 1 121 121 LYS HE2 H 1 3.214 0.010 . 2 . . . . 121 K QE . 17068 1 873 . 1 1 121 121 LYS HE3 H 1 3.214 0.010 . 2 . . . . 121 K QE . 17068 1 874 . 1 1 121 121 LYS HG2 H 1 1.372 0.010 . 2 . . . . 121 K QG . 17068 1 875 . 1 1 121 121 LYS HG3 H 1 1.372 0.010 . 2 . . . . 121 K QG . 17068 1 876 . 1 1 121 121 LYS CA C 13 56.232 0.020 . 1 . . . . 121 K CA . 17068 1 877 . 1 1 121 121 LYS CB C 13 33.100 0.020 . 1 . . . . 121 K CB . 17068 1 878 . 1 1 121 121 LYS N N 15 123.949 0.050 . 1 . . . . 121 K N . 17068 1 879 . 1 1 122 122 SER H H 1 8.441 0.010 . 1 . . . . 122 S HN . 17068 1 880 . 1 1 122 122 SER HA H 1 4.433 0.010 . 1 . . . . 122 S HA . 17068 1 881 . 1 1 122 122 SER HB2 H 1 3.854 0.010 . 2 . . . . 122 S QB . 17068 1 882 . 1 1 122 122 SER HB3 H 1 3.854 0.010 . 2 . . . . 122 S QB . 17068 1 883 . 1 1 122 122 SER CA C 13 58.424 0.020 . 1 . . . . 122 S CA . 17068 1 884 . 1 1 122 122 SER CB C 13 63.716 0.020 . 1 . . . . 122 S CB . 17068 1 885 . 1 1 122 122 SER N N 15 117.860 0.050 . 1 . . . . 122 S N . 17068 1 886 . 1 1 123 123 GLN H H 1 7.954 0.010 . 1 . . . . 123 Q HN . 17068 1 887 . 1 1 123 123 GLN HA H 1 4.176 0.010 . 1 . . . . 123 Q HA . 17068 1 888 . 1 1 123 123 GLN HB2 H 1 1.963 0.010 . 2 . . . . 123 Q QB . 17068 1 889 . 1 1 123 123 GLN HB3 H 1 1.963 0.010 . 2 . . . . 123 Q QB . 17068 1 890 . 1 1 123 123 GLN HG2 H 1 2.373 0.010 . 2 . . . . 123 Q QG . 17068 1 891 . 1 1 123 123 GLN HG3 H 1 2.373 0.010 . 2 . . . . 123 Q QG . 17068 1 892 . 1 1 123 123 GLN CA C 13 57.399 0.020 . 1 . . . . 123 Q CA . 17068 1 893 . 1 1 123 123 GLN CB C 13 30.299 0.020 . 1 . . . . 123 Q CB . 17068 1 894 . 1 1 123 123 GLN N N 15 126.985 0.050 . 1 . . . . 123 Q N . 17068 1 stop_ save_