data_17641 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17641 _Entry.Title ; Assigment of the 1H, 13C, and 15N resonances of the yeast frataxin (Yfh1) under heat denaturation (50 C) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-12 _Entry.Accession_date 2011-05-12 _Entry.Last_release_date 2015-09-03 _Entry.Original_release_date 2015-09-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; To complement our previous assigment of Yfh1 under cold denaturation, here we report the NMR assigment of Yfh1 under its heat 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 . . . 17641 2 Annalisa Pastore . . . 17641 3 'Piero Andrea' Temussi . . . 17641 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'National Institute for Medical Research (NIMR)' . 17641 2 . 'University of Balearic Islands (UIB)' . 17641 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17641 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 236 17641 '15N chemical shifts' 104 17641 '1H chemical shifts' 535 17641 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-09-03 . original BMRB . 17641 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17068 'NMR assigment of the cold denaturated state (0 C) of Yeast frataxin in solution' 17641 BMRB 6356 'NMR assigment of the folded Yeast frataxin' 17641 PDB 1ekg 'Mature human frataxin' 17641 PDB 1soy 'Solution structure of the bacterial frataxin' 17641 PDB 2fql 'Crystal structure of trimeric yeast frataxin' 17641 PDB 2ga5 'NMR structure of the folded Yeast frataxin in solution' 17641 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17641 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22342930 _Citation.Full_citation . _Citation.Title ; The role of hydration in protein stability: comparison of the cold and heat unfolded states of Yfh1. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 417 _Citation.Journal_issue 5 _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 413 _Citation.Page_last 424 _Citation.Year 2012 _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 . . . 17641 1 2 Gabriel Martorell . . . 17641 1 3 Stephen Martin . R. . 17641 1 4 Dunja Urosev . . . 17641 1 5 Petr Konarev . V. . 17641 1 6 Dmitri Svergun . I. . 17641 1 7 Xavier Daura . . . 17641 1 8 Pierandrea Temussi . . . 17641 1 9 Annalisa Pastore . . . 17641 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Frataxin 17641 1 'Heat denaturation' 17641 1 NMR 17641 1 'Residual secondary structure' 17641 1 'Unfolded state' 17641 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17641 _Assembly.ID 1 _Assembly.Name Yeast_frataxin_(Yfh1) _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 'We have studied a monomeric unit formed by the wild type yeast frataxin Yfh1' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Yeast Frataxin' 1 $Yfh1 A . yes unfolded yes no 1 'Main unit' 'We only have a monomeric unit of Yfh1 which is what we studied' 17641 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 17068 . . 'solution NMR' . 'Our study (assigment of heat denaturated state of Yfh1) completes this previous study' 'Includes the NMR assigment of Yfh1 under cold denaturated state (0 C)' 17641 1 yes PDB 2fql . . X-ray 3.01 'Is the same protein that we are studing in its trimeric form' 'Trimeric structure of Yfh1.' 17641 1 yes PDB 2ga5 . . 'solution NMR' . 'Structure of the folded state of Yfh1 which we use to compare the unfolded state' 'NMR structure of folded state of Yfh1.' 17641 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Iron chaperon' 17641 1 'Regulator/Inhibitor of the Fe-S cluster formation' 17641 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Yfh1 _Entity.Sf_category entity _Entity.Sf_framecode Yfh1 _Entity.Entry_ID 17641 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 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 'The sequence does not present any tag neither any additional residue. It is in its native state' _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 'We have detected several species for Yfh1 under heat denaturated state, probably due to proline cis/trans isomerization' _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 17068 . Yfh1 . . . . . . . . . . . . . . 17641 1 2 yes BMRB 6356 . Yfh1 . . . . . . . . . . . . . . 17641 1 3 yes PDB 1soy . CyaY . . . . . . . . . . . . . . 17641 1 4 yes PDB 2fql . Yfh1 . . . . . . . . . . . . . . 17641 1 5 yes PDB 2ga5 . Yfh1 . . . . . . . . . . . . . . 17641 1 6 no BMRB 17068 . Yeast_frataxin_(Yfh1) . . . . . 100.00 123 100.00 100.00 6.11e-83 . . . . 17641 1 7 no BMRB 19991 . Yeast_Frataxin_Yfh1 . . . . . 100.00 123 100.00 100.00 6.11e-83 . . . . 17641 1 8 no PDB 2FQL . "Crystal Structure Of Trimeric Frataxin From The Yeast Saccharomyces Cerevisiae" . . . . . 100.00 123 98.37 99.19 4.87e-81 . . . . 17641 1 9 no PDB 2GA5 . "Yeast Frataxin" . . . . . 100.00 123 100.00 100.00 6.11e-83 . . . . 17641 1 10 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 . . . . 17641 1 11 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 . . . . 17641 1 12 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 . . . . 17641 1 13 no DBJ GAA22128 . "K7_Yfh1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 17641 1 14 no EMBL CAA98688 . "YFH1 [Saccharomyces cerevisiae]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 17641 1 15 no EMBL CAY78388 . "Yfh1p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 17641 1 16 no GB AAS56486 . "YDL120W [Saccharomyces cerevisiae]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 17641 1 17 no GB AHY74893 . "Yfh1p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 17641 1 18 no GB AJP37633 . "Yfh1p [Saccharomyces cerevisiae YJM1078]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 17641 1 19 no GB AJU57746 . "Yfh1p [Saccharomyces cerevisiae YJM189]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 17641 1 20 no GB AJU58449 . "Yfh1p [Saccharomyces cerevisiae YJM193]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 17641 1 21 no REF NP_010163 . "ferroxidase [Saccharomyces cerevisiae S288c]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 17641 1 22 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 . . . . 17641 1 23 no TPG DAA11740 . "TPA: ferroxidase [Saccharomyces cerevisiae S288c]" . . . . . 100.00 174 99.19 100.00 4.26e-83 . . . . 17641 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' 17641 1 'Iron chaperon' 17641 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 . 17641 1 2 . GLU . 17641 1 3 . SER . 17641 1 4 . SER . 17641 1 5 . THR . 17641 1 6 . ASP . 17641 1 7 . GLY . 17641 1 8 . GLN . 17641 1 9 . VAL . 17641 1 10 . VAL . 17641 1 11 . PRO . 17641 1 12 . GLN . 17641 1 13 . GLU . 17641 1 14 . VAL . 17641 1 15 . LEU . 17641 1 16 . ASN . 17641 1 17 . LEU . 17641 1 18 . PRO . 17641 1 19 . LEU . 17641 1 20 . GLU . 17641 1 21 . LYS . 17641 1 22 . TYR . 17641 1 23 . HIS . 17641 1 24 . GLU . 17641 1 25 . GLU . 17641 1 26 . ALA . 17641 1 27 . ASP . 17641 1 28 . ASP . 17641 1 29 . TYR . 17641 1 30 . LEU . 17641 1 31 . ASP . 17641 1 32 . HIS . 17641 1 33 . LEU . 17641 1 34 . LEU . 17641 1 35 . ASP . 17641 1 36 . SER . 17641 1 37 . LEU . 17641 1 38 . GLU . 17641 1 39 . GLU . 17641 1 40 . LEU . 17641 1 41 . SER . 17641 1 42 . GLU . 17641 1 43 . ALA . 17641 1 44 . HIS . 17641 1 45 . PRO . 17641 1 46 . ASP . 17641 1 47 . CYS . 17641 1 48 . ILE . 17641 1 49 . PRO . 17641 1 50 . ASP . 17641 1 51 . VAL . 17641 1 52 . GLU . 17641 1 53 . LEU . 17641 1 54 . SER . 17641 1 55 . HIS . 17641 1 56 . GLY . 17641 1 57 . VAL . 17641 1 58 . MET . 17641 1 59 . THR . 17641 1 60 . LEU . 17641 1 61 . GLU . 17641 1 62 . ILE . 17641 1 63 . PRO . 17641 1 64 . ALA . 17641 1 65 . PHE . 17641 1 66 . GLY . 17641 1 67 . THR . 17641 1 68 . TYR . 17641 1 69 . VAL . 17641 1 70 . ILE . 17641 1 71 . ASN . 17641 1 72 . LYS . 17641 1 73 . GLN . 17641 1 74 . PRO . 17641 1 75 . PRO . 17641 1 76 . ASN . 17641 1 77 . LYS . 17641 1 78 . GLN . 17641 1 79 . ILE . 17641 1 80 . TRP . 17641 1 81 . LEU . 17641 1 82 . ALA . 17641 1 83 . SER . 17641 1 84 . PRO . 17641 1 85 . LEU . 17641 1 86 . SER . 17641 1 87 . GLY . 17641 1 88 . PRO . 17641 1 89 . ASN . 17641 1 90 . ARG . 17641 1 91 . PHE . 17641 1 92 . ASP . 17641 1 93 . LEU . 17641 1 94 . LEU . 17641 1 95 . ASN . 17641 1 96 . GLY . 17641 1 97 . GLU . 17641 1 98 . TRP . 17641 1 99 . VAL . 17641 1 100 . SER . 17641 1 101 . LEU . 17641 1 102 . ARG . 17641 1 103 . ASN . 17641 1 104 . GLY . 17641 1 105 . THR . 17641 1 106 . LYS . 17641 1 107 . LEU . 17641 1 108 . THR . 17641 1 109 . ASP . 17641 1 110 . ILE . 17641 1 111 . LEU . 17641 1 112 . THR . 17641 1 113 . GLU . 17641 1 114 . GLU . 17641 1 115 . VAL . 17641 1 116 . GLU . 17641 1 117 . LYS . 17641 1 118 . ALA . 17641 1 119 . ILE . 17641 1 120 . SER . 17641 1 121 . LYS . 17641 1 122 . SER . 17641 1 123 . GLN . 17641 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 17641 1 . GLU 2 2 17641 1 . SER 3 3 17641 1 . SER 4 4 17641 1 . THR 5 5 17641 1 . ASP 6 6 17641 1 . GLY 7 7 17641 1 . GLN 8 8 17641 1 . VAL 9 9 17641 1 . VAL 10 10 17641 1 . PRO 11 11 17641 1 . GLN 12 12 17641 1 . GLU 13 13 17641 1 . VAL 14 14 17641 1 . LEU 15 15 17641 1 . ASN 16 16 17641 1 . LEU 17 17 17641 1 . PRO 18 18 17641 1 . LEU 19 19 17641 1 . GLU 20 20 17641 1 . LYS 21 21 17641 1 . TYR 22 22 17641 1 . HIS 23 23 17641 1 . GLU 24 24 17641 1 . GLU 25 25 17641 1 . ALA 26 26 17641 1 . ASP 27 27 17641 1 . ASP 28 28 17641 1 . TYR 29 29 17641 1 . LEU 30 30 17641 1 . ASP 31 31 17641 1 . HIS 32 32 17641 1 . LEU 33 33 17641 1 . LEU 34 34 17641 1 . ASP 35 35 17641 1 . SER 36 36 17641 1 . LEU 37 37 17641 1 . GLU 38 38 17641 1 . GLU 39 39 17641 1 . LEU 40 40 17641 1 . SER 41 41 17641 1 . GLU 42 42 17641 1 . ALA 43 43 17641 1 . HIS 44 44 17641 1 . PRO 45 45 17641 1 . ASP 46 46 17641 1 . CYS 47 47 17641 1 . ILE 48 48 17641 1 . PRO 49 49 17641 1 . ASP 50 50 17641 1 . VAL 51 51 17641 1 . GLU 52 52 17641 1 . LEU 53 53 17641 1 . SER 54 54 17641 1 . HIS 55 55 17641 1 . GLY 56 56 17641 1 . VAL 57 57 17641 1 . MET 58 58 17641 1 . THR 59 59 17641 1 . LEU 60 60 17641 1 . GLU 61 61 17641 1 . ILE 62 62 17641 1 . PRO 63 63 17641 1 . ALA 64 64 17641 1 . PHE 65 65 17641 1 . GLY 66 66 17641 1 . THR 67 67 17641 1 . TYR 68 68 17641 1 . VAL 69 69 17641 1 . ILE 70 70 17641 1 . ASN 71 71 17641 1 . LYS 72 72 17641 1 . GLN 73 73 17641 1 . PRO 74 74 17641 1 . PRO 75 75 17641 1 . ASN 76 76 17641 1 . LYS 77 77 17641 1 . GLN 78 78 17641 1 . ILE 79 79 17641 1 . TRP 80 80 17641 1 . LEU 81 81 17641 1 . ALA 82 82 17641 1 . SER 83 83 17641 1 . PRO 84 84 17641 1 . LEU 85 85 17641 1 . SER 86 86 17641 1 . GLY 87 87 17641 1 . PRO 88 88 17641 1 . ASN 89 89 17641 1 . ARG 90 90 17641 1 . PHE 91 91 17641 1 . ASP 92 92 17641 1 . LEU 93 93 17641 1 . LEU 94 94 17641 1 . ASN 95 95 17641 1 . GLY 96 96 17641 1 . GLU 97 97 17641 1 . TRP 98 98 17641 1 . VAL 99 99 17641 1 . SER 100 100 17641 1 . LEU 101 101 17641 1 . ARG 102 102 17641 1 . ASN 103 103 17641 1 . GLY 104 104 17641 1 . THR 105 105 17641 1 . LYS 106 106 17641 1 . LEU 107 107 17641 1 . THR 108 108 17641 1 . ASP 109 109 17641 1 . ILE 110 110 17641 1 . LEU 111 111 17641 1 . THR 112 112 17641 1 . GLU 113 113 17641 1 . GLU 114 114 17641 1 . VAL 115 115 17641 1 . GLU 116 116 17641 1 . LYS 117 117 17641 1 . ALA 118 118 17641 1 . ILE 119 119 17641 1 . SER 120 120 17641 1 . LYS 121 121 17641 1 . SER 122 122 17641 1 . GLN 123 123 17641 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 17641 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Yfh1 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . 851437 . 17641 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 17641 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Yfh1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21-(DE3) . . . . . pET11a . . . 17641 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17641 _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 Yfh1 '[U-100% 13C; U-100% 15N]' . . 1 $Yfh1 . . 0.4-0.5 . . mM 0.1 . . . 17641 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . % 2 . . . 17641 1 3 H2O 'natural abundance' . . . . . . 90 . . % 2 . . . 17641 1 4 DTT 'natural abundance' . . . . . . 1 . . mM 0.2 . . . 17641 1 5 HEPES 'natural abundance' . . . . . . 20 . . mM 1 . . . 17641 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 17641 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'The low salinity of the sample helped to unfold the protein at 50 C.' 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 17641 1 pH 7.0 0.1 pH 17641 1 pressure 1 1 atm 17641 1 temperature 323.15 0.2 K 17641 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 17641 _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 17641 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17641 1 'peak picking' 17641 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17641 _Software.ID 2 _Software.Name NMRDraw _Software.Version 5.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' 'Institute of Molecular Biology and Biophysics, ETH Zurich' rkeller@nmr.ch 17641 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17641 2 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 17641 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Instrument with a triple resonance cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 17641 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AMX . 700 'Instrument with a triple resonance cryoprobe' . . 17641 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 17641 _Experiment_list.ID 1 _Experiment_list.Details 'We performed all the experiments at 50 C.' 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 . . . . . . . . . . . . . . . . 17641 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17641 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17641 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17641 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17641 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17641 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17641 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17641 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 17641 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 0.0 na indirect 0.251449530 . . . . . . . . . 17641 1 H 1 water protons . . . . ppm 4.53 internal direct 1.0 . . . . . . . . . 17641 1 N 15 water protons . . . . ppm 0.0 na indirect 0.101329118 . . . . . . . . . 17641 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 17641 _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 0.002 _Assigned_chem_shift_list.Chem_shift_13C_err 0.020 _Assigned_chem_shift_list.Chem_shift_15N_err 0.020 _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' . . . 17641 1 2 '3D HNCACB' . . . 17641 1 3 '3D CBCA(CO)NH' . . . 17641 1 4 '3D 1H-15N NOESY' . . . 17641 1 5 '3D 1H-15N TOCSY' . . . 17641 1 6 '3D HNCA' . . . 17641 1 7 '3D HN(CO)CA' . . . 17641 1 8 '3D HBHA(CO)NH' . . . 17641 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLU HA H 1 4.423 0.002 . 1 . . . . 2 GLU HA . 17641 1 2 . 1 1 2 2 GLU HB2 H 1 2.108 0.002 . 2 . . . . 2 GLU HB2 . 17641 1 3 . 1 1 2 2 GLU HB3 H 1 1.968 0.002 . 2 . . . . 2 GLU HB3 . 17641 1 4 . 1 1 2 2 GLU CA C 13 56.678 0.020 . 1 . . . . 2 GLU CA . 17641 1 5 . 1 1 2 2 GLU CB C 13 30.447 0.020 . 1 . . . . 2 GLU CB . 17641 1 6 . 1 1 3 3 SER H H 1 8.374 0.002 . 1 . . . . 3 SER HN . 17641 1 7 . 1 1 3 3 SER HA H 1 4.529 0.002 . 1 . . . . 3 SER HA . 17641 1 8 . 1 1 3 3 SER HB2 H 1 3.881 0.002 . 2 . . . . 3 SER QB . 17641 1 9 . 1 1 3 3 SER HB3 H 1 3.881 0.002 . 2 . . . . 3 SER QB . 17641 1 10 . 1 1 3 3 SER CA C 13 58.212 0.020 . 1 . . . . 3 SER CA . 17641 1 11 . 1 1 3 3 SER CB C 13 64.080 0.020 . 1 . . . . 3 SER CB . 17641 1 12 . 1 1 3 3 SER N N 15 116.855 0.020 . 1 . . . . 3 SER N . 17641 1 13 . 1 1 4 4 SER H H 1 8.340 0.002 . 1 . . . . 4 SER HN . 17641 1 14 . 1 1 4 4 SER HA H 1 4.571 0.002 . 1 . . . . 4 SER HA . 17641 1 15 . 1 1 4 4 SER HB2 H 1 3.946 0.002 . 2 . . . . 4 SER HB2 . 17641 1 16 . 1 1 4 4 SER HB3 H 1 3.885 0.002 . 2 . . . . 4 SER HB3 . 17641 1 17 . 1 1 4 4 SER CA C 13 58.344 0.020 . 1 . . . . 4 SER CA . 17641 1 18 . 1 1 4 4 SER CB C 13 64.219 0.020 . 1 . . . . 4 SER CB . 17641 1 19 . 1 1 4 4 SER N N 15 117.700 0.020 . 1 . . . . 4 SER N . 17641 1 20 . 1 1 5 5 THR H H 1 8.176 0.002 . 1 . . . . 5 THR HN . 17641 1 21 . 1 1 5 5 THR HA H 1 4.385 0.002 . 1 . . . . 5 THR HA . 17641 1 22 . 1 1 5 5 THR HB H 1 4.297 0.002 . 1 . . . . 5 THR HB . 17641 1 23 . 1 1 5 5 THR CA C 13 62.037 0.020 . 1 . . . . 5 THR CA . 17641 1 24 . 1 1 5 5 THR CB C 13 69.758 0.020 . 1 . . . . 5 THR CB . 17641 1 25 . 1 1 5 5 THR N N 15 114.939 0.020 . 1 . . . . 5 THR N . 17641 1 26 . 1 1 6 6 ASP H H 1 8.166 0.002 . 1 . . . . 6 ASP HN . 17641 1 27 . 1 1 6 6 ASP HA H 1 4.615 0.002 . 1 . . . . 6 ASP HA . 17641 1 28 . 1 1 6 6 ASP HB2 H 1 2.684 0.002 . 2 . . . . 6 ASP QB . 17641 1 29 . 1 1 6 6 ASP HB3 H 1 2.684 0.002 . 2 . . . . 6 ASP QB . 17641 1 30 . 1 1 6 6 ASP CA C 13 54.902 0.020 . 1 . . . . 6 ASP CA . 17641 1 31 . 1 1 6 6 ASP CB C 13 41.306 0.020 . 1 . . . . 6 ASP CB . 17641 1 32 . 1 1 6 6 ASP N N 15 122.376 0.020 . 1 . . . . 6 ASP N . 17641 1 33 . 1 1 7 7 GLY H H 1 8.224 0.002 . 1 . . . . 7 GLY HN . 17641 1 34 . 1 1 7 7 GLY HA2 H 1 3.941 0.002 . 2 . . . . 7 GLY QA . 17641 1 35 . 1 1 7 7 GLY HA3 H 1 3.941 0.002 . 2 . . . . 7 GLY QA . 17641 1 36 . 1 1 7 7 GLY CA C 13 45.670 0.020 . 1 . . . . 7 GLY CA . 17641 1 37 . 1 1 7 7 GLY N N 15 108.506 0.020 . 1 . . . . 7 GLY N . 17641 1 38 . 1 1 8 8 GLN H H 1 8.056 0.002 . 1 . . . . 8 GLN HN . 17641 1 39 . 1 1 8 8 GLN HA H 1 4.366 0.002 . 1 . . . . 8 GLN HA . 17641 1 40 . 1 1 8 8 GLN HB2 H 1 2.087 0.002 . 2 . . . . 8 GLN HB2 . 17641 1 41 . 1 1 8 8 GLN HB3 H 1 1.982 0.002 . 2 . . . . 8 GLN HB3 . 17641 1 42 . 1 1 8 8 GLN HG2 H 1 2.310 0.002 . 2 . . . . 8 GLN QG . 17641 1 43 . 1 1 8 8 GLN HG3 H 1 2.310 0.002 . 2 . . . . 8 GLN QG . 17641 1 44 . 1 1 8 8 GLN CA C 13 55.992 0.020 . 1 . . . . 8 GLN CA . 17641 1 45 . 1 1 8 8 GLN CB C 13 29.666 0.020 . 1 . . . . 8 GLN CB . 17641 1 46 . 1 1 8 8 GLN N N 15 119.686 0.020 . 1 . . . . 8 GLN N . 17641 1 47 . 1 1 9 9 VAL H H 1 8.067 0.002 . 1 . . . . 9 VAL HN . 17641 1 48 . 1 1 9 9 VAL HA H 1 4.130 0.002 . 1 . . . . 9 VAL HA . 17641 1 49 . 1 1 9 9 VAL HB H 1 2.034 0.002 . 1 . . . . 9 VAL HB . 17641 1 50 . 1 1 9 9 VAL HG11 H 1 0.898 0.002 . 9 . . . . 9 VAL QQG . 17641 1 51 . 1 1 9 9 VAL HG12 H 1 0.898 0.002 . 9 . . . . 9 VAL QQG . 17641 1 52 . 1 1 9 9 VAL HG13 H 1 0.898 0.002 . 9 . . . . 9 VAL QQG . 17641 1 53 . 1 1 9 9 VAL HG21 H 1 0.898 0.002 . 9 . . . . 9 VAL QQG . 17641 1 54 . 1 1 9 9 VAL HG22 H 1 0.898 0.002 . 9 . . . . 9 VAL QQG . 17641 1 55 . 1 1 9 9 VAL HG23 H 1 0.898 0.002 . 9 . . . . 9 VAL QQG . 17641 1 56 . 1 1 9 9 VAL CA C 13 62.540 0.020 . 1 . . . . 9 VAL CA . 17641 1 57 . 1 1 9 9 VAL CB C 13 32.768 0.020 . 1 . . . . 9 VAL CB . 17641 1 58 . 1 1 9 9 VAL N N 15 121.676 0.020 . 1 . . . . 9 VAL N . 17641 1 59 . 1 1 10 10 VAL H H 1 8.105 0.002 . 1 . . . . 10 VAL HN . 17641 1 60 . 1 1 10 10 VAL HA H 1 4.449 0.002 . 1 . . . . 10 VAL HA . 17641 1 61 . 1 1 10 10 VAL HB H 1 2.051 0.002 . 1 . . . . 10 VAL HB . 17641 1 62 . 1 1 10 10 VAL HG11 H 1 0.929 0.002 . 9 . . . . 10 VAL QQG . 17641 1 63 . 1 1 10 10 VAL HG12 H 1 0.929 0.002 . 9 . . . . 10 VAL QQG . 17641 1 64 . 1 1 10 10 VAL HG13 H 1 0.929 0.002 . 9 . . . . 10 VAL QQG . 17641 1 65 . 1 1 10 10 VAL HG21 H 1 0.929 0.002 . 9 . . . . 10 VAL QQG . 17641 1 66 . 1 1 10 10 VAL HG22 H 1 0.929 0.002 . 9 . . . . 10 VAL QQG . 17641 1 67 . 1 1 10 10 VAL HG23 H 1 0.929 0.002 . 9 . . . . 10 VAL QQG . 17641 1 68 . 1 1 10 10 VAL CA C 13 59.770 0.020 . 1 . . . . 10 VAL CA . 17641 1 69 . 1 1 10 10 VAL CB C 13 32.829 0.020 . 1 . . . . 10 VAL CB . 17641 1 70 . 1 1 10 10 VAL N N 15 125.532 0.020 . 1 . . . . 10 VAL N . 17641 1 71 . 1 1 11 11 PRO HA H 1 4.395 0.002 . 1 . . . . 11 PRO HA . 17641 1 72 . 1 1 11 11 PRO HB2 H 1 2.304 0.002 . 2 . . . . 11 PRO HB2 . 17641 1 73 . 1 1 11 11 PRO CA C 13 63.295 0.020 . 1 . . . . 11 PRO CA . 17641 1 74 . 1 1 11 11 PRO CB C 13 32.157 0.020 . 1 . . . . 11 PRO CB . 17641 1 75 . 1 1 12 12 GLN H H 1 8.293 0.002 . 1 . . . . 12 GLN HN . 17641 1 76 . 1 1 12 12 GLN HA H 1 4.258 0.002 . 1 . . . . 12 GLN HA . 17641 1 77 . 1 1 12 12 GLN HB2 H 1 2.074 0.002 . 2 . . . . 12 GLN HB2 . 17641 1 78 . 1 1 12 12 GLN HB3 H 1 1.965 0.002 . 2 . . . . 12 GLN HB3 . 17641 1 79 . 1 1 12 12 GLN HG2 H 1 2.383 0.002 . 2 . . . . 12 GLN QG . 17641 1 80 . 1 1 12 12 GLN HG3 H 1 2.383 0.002 . 2 . . . . 12 GLN QG . 17641 1 81 . 1 1 12 12 GLN CA C 13 56.581 0.020 . 1 . . . . 12 GLN CA . 17641 1 82 . 1 1 12 12 GLN CB C 13 29.639 0.020 . 1 . . . . 12 GLN CB . 17641 1 83 . 1 1 12 12 GLN N N 15 120.535 0.020 . 1 . . . . 12 GLN N . 17641 1 84 . 1 1 13 13 GLU H H 1 8.409 0.002 . 1 . . . . 13 GLU HN . 17641 1 85 . 1 1 13 13 GLU HA H 1 4.281 0.002 . 1 . . . . 13 GLU HA . 17641 1 86 . 1 1 13 13 GLU HB2 H 1 2.034 0.002 . 2 . . . . 13 GLU HB2 . 17641 1 87 . 1 1 13 13 GLU HB3 H 1 1.933 0.002 . 2 . . . . 13 GLU HB3 . 17641 1 88 . 1 1 13 13 GLU HG2 H 1 2.220 0.002 . 2 . . . . 13 GLU QG . 17641 1 89 . 1 1 13 13 GLU HG3 H 1 2.220 0.002 . 2 . . . . 13 GLU QG . 17641 1 90 . 1 1 13 13 GLU CA C 13 56.713 0.020 . 1 . . . . 13 GLU CA . 17641 1 91 . 1 1 13 13 GLU CB C 13 30.119 0.020 . 1 . . . . 13 GLU CB . 17641 1 92 . 1 1 13 13 GLU N N 15 121.431 0.020 . 1 . . . . 13 GLU N . 17641 1 93 . 1 1 14 14 VAL H H 1 7.967 0.002 . 1 . . . . 14 VAL HN . 17641 1 94 . 1 1 14 14 VAL HA H 1 4.105 0.002 . 1 . . . . 14 VAL HA . 17641 1 95 . 1 1 14 14 VAL HB H 1 2.064 0.002 . 1 . . . . 14 VAL HB . 17641 1 96 . 1 1 14 14 VAL HG11 H 1 0.916 0.002 . 9 . . . . 14 VAL QQG . 17641 1 97 . 1 1 14 14 VAL HG12 H 1 0.916 0.002 . 9 . . . . 14 VAL QQG . 17641 1 98 . 1 1 14 14 VAL HG13 H 1 0.916 0.002 . 9 . . . . 14 VAL QQG . 17641 1 99 . 1 1 14 14 VAL HG21 H 1 0.916 0.002 . 9 . . . . 14 VAL QQG . 17641 1 100 . 1 1 14 14 VAL HG22 H 1 0.916 0.002 . 9 . . . . 14 VAL QQG . 17641 1 101 . 1 1 14 14 VAL HG23 H 1 0.916 0.002 . 9 . . . . 14 VAL QQG . 17641 1 102 . 1 1 14 14 VAL CA C 13 62.540 0.020 . 1 . . . . 14 VAL CA . 17641 1 103 . 1 1 14 14 VAL CB C 13 32.661 0.020 . 1 . . . . 14 VAL CB . 17641 1 104 . 1 1 14 14 VAL N N 15 120.559 0.020 . 1 . . . . 14 VAL N . 17641 1 105 . 1 1 15 15 LEU H H 1 8.062 0.002 . 1 . . . . 15 LEU HN . 17641 1 106 . 1 1 15 15 LEU HA H 1 4.347 0.002 . 1 . . . . 15 LEU HA . 17641 1 107 . 1 1 15 15 LEU HB2 H 1 1.592 0.002 . 2 . . . . 15 LEU QB . 17641 1 108 . 1 1 15 15 LEU HB3 H 1 1.592 0.002 . 2 . . . . 15 LEU QB . 17641 1 109 . 1 1 15 15 LEU HD11 H 1 0.912 0.002 . 9 . . . . 15 LEU QQD . 17641 1 110 . 1 1 15 15 LEU HD12 H 1 0.912 0.002 . 9 . . . . 15 LEU QQD . 17641 1 111 . 1 1 15 15 LEU HD13 H 1 0.912 0.002 . 9 . . . . 15 LEU QQD . 17641 1 112 . 1 1 15 15 LEU HD21 H 1 0.912 0.002 . 9 . . . . 15 LEU QQD . 17641 1 113 . 1 1 15 15 LEU HD22 H 1 0.912 0.002 . 9 . . . . 15 LEU QQD . 17641 1 114 . 1 1 15 15 LEU HD23 H 1 0.912 0.002 . 9 . . . . 15 LEU QQD . 17641 1 115 . 1 1 15 15 LEU CA C 13 55.154 0.020 . 1 . . . . 15 LEU CA . 17641 1 116 . 1 1 15 15 LEU CB C 13 42.733 0.020 . 1 . . . . 15 LEU CB . 17641 1 117 . 1 1 15 15 LEU N N 15 124.954 0.020 . 1 . . . . 15 LEU N . 17641 1 118 . 1 1 16 16 ASN H H 1 8.226 0.002 . 1 . . . . 16 ASN HN . 17641 1 119 . 1 1 16 16 ASN HA H 1 4.717 0.002 . 1 . . . . 16 ASN HA . 17641 1 120 . 1 1 16 16 ASN HB2 H 1 2.804 0.002 . 2 . . . . 16 ASN HB2 . 17641 1 121 . 1 1 16 16 ASN HB3 H 1 2.676 0.002 . 2 . . . . 16 ASN HB3 . 17641 1 122 . 1 1 16 16 ASN CA C 13 53.140 0.020 . 1 . . . . 16 ASN CA . 17641 1 123 . 1 1 16 16 ASN CB C 13 39.040 0.020 . 1 . . . . 16 ASN CB . 17641 1 124 . 1 1 16 16 ASN N N 15 119.386 0.020 . 1 . . . . 16 ASN N . 17641 1 125 . 1 1 17 17 LEU H H 1 7.938 0.002 . 1 . . . . 17 LEU HN . 17641 1 126 . 1 1 17 17 LEU HA H 1 4.577 0.002 . 1 . . . . 17 LEU HA . 17641 1 127 . 1 1 17 17 LEU HB2 H 1 1.566 0.002 . 2 . . . . 17 LEU QB . 17641 1 128 . 1 1 17 17 LEU HB3 H 1 1.566 0.002 . 2 . . . . 17 LEU QB . 17641 1 129 . 1 1 17 17 LEU CA C 13 54.041 0.020 . 1 . . . . 17 LEU CA . 17641 1 130 . 1 1 17 17 LEU CB C 13 42.080 0.020 . 1 . . . . 17 LEU CB . 17641 1 131 . 1 1 17 17 LEU N N 15 123.490 0.020 . 1 . . . . 17 LEU N . 17641 1 132 . 1 1 18 18 PRO CA C 13 63.131 0.020 . 1 . . . . 18 PRO CA . 17641 1 133 . 1 1 18 18 PRO CB C 13 31.714 0.020 . 1 . . . . 18 PRO CB . 17641 1 134 . 1 1 19 19 LEU H H 1 8.087 0.002 . 1 . . . . 19 LEU HN . 17641 1 135 . 1 1 19 19 LEU HA H 1 4.271 0.002 . 1 . . . . 19 LEU HA . 17641 1 136 . 1 1 19 19 LEU HB2 H 1 1.592 0.002 . 2 . . . . 19 LEU QB . 17641 1 137 . 1 1 19 19 LEU HB3 H 1 1.592 0.002 . 2 . . . . 19 LEU QB . 17641 1 138 . 1 1 19 19 LEU CA C 13 55.476 0.020 . 1 . . . . 19 LEU CA . 17641 1 139 . 1 1 19 19 LEU CB C 13 42.399 0.020 . 1 . . . . 19 LEU CB . 17641 1 140 . 1 1 19 19 LEU N N 15 122.205 0.020 . 1 . . . . 19 LEU N . 17641 1 141 . 1 1 20 20 GLU H H 1 8.284 0.002 . 1 . . . . 20 GLU HN . 17641 1 142 . 1 1 20 20 GLU HA H 1 4.231 0.002 . 1 . . . . 20 GLU HA . 17641 1 143 . 1 1 20 20 GLU HB2 H 1 2.020 0.002 . 2 . . . . 20 GLU HB2 . 17641 1 144 . 1 1 20 20 GLU HB3 H 1 1.929 0.002 . 2 . . . . 20 GLU HB3 . 17641 1 145 . 1 1 20 20 GLU HG2 H 1 2.234 0.002 . 2 . . . . 20 GLU QG . 17641 1 146 . 1 1 20 20 GLU HG3 H 1 2.234 0.002 . 2 . . . . 20 GLU QG . 17641 1 147 . 1 1 20 20 GLU CA C 13 57.071 0.020 . 1 . . . . 20 GLU CA . 17641 1 148 . 1 1 20 20 GLU CB C 13 30.279 0.020 . 1 . . . . 20 GLU CB . 17641 1 149 . 1 1 20 20 GLU N N 15 121.007 0.020 . 1 . . . . 20 GLU N . 17641 1 150 . 1 1 21 21 LYS HA H 1 4.259 0.002 . 1 . . . . 21 LYS HA . 17641 1 151 . 1 1 21 21 LYS HB2 H 1 1.948 0.002 . 2 . . . . 21 LYS HB2 . 17641 1 152 . 1 1 21 21 LYS HB3 H 1 1.674 0.002 . 2 . . . . 21 LYS HB3 . 17641 1 153 . 1 1 21 21 LYS CA C 13 56.231 0.020 . 1 . . . . 21 LYS CA . 17641 1 154 . 1 1 21 21 LYS CB C 13 33.152 0.020 . 1 . . . . 21 LYS CB . 17641 1 155 . 1 1 22 22 TYR H H 1 8.035 0.002 . 1 . . . . 22 TYR HN . 17641 1 156 . 1 1 22 22 TYR HA H 1 4.524 0.002 . 1 . . . . 22 TYR HA . 17641 1 157 . 1 1 22 22 TYR HB2 H 1 2.947 0.002 . 2 . . . . 22 TYR QB . 17641 1 158 . 1 1 22 22 TYR HB3 H 1 2.947 0.002 . 2 . . . . 22 TYR QB . 17641 1 159 . 1 1 22 22 TYR CA C 13 58.028 0.020 . 1 . . . . 22 TYR CA . 17641 1 160 . 1 1 22 22 TYR CB C 13 38.891 0.020 . 1 . . . . 22 TYR CB . 17641 1 161 . 1 1 22 22 TYR N N 15 121.251 0.020 . 1 . . . . 22 TYR N . 17641 1 162 . 1 1 23 23 HIS H H 1 8.094 0.002 . 1 . . . . 23 HIS HN . 17641 1 163 . 1 1 23 23 HIS HA H 1 4.589 0.002 . 1 . . . . 23 HIS HA . 17641 1 164 . 1 1 23 23 HIS HB2 H 1 3.186 0.002 . 2 . . . . 23 HIS HB2 . 17641 1 165 . 1 1 23 23 HIS HB3 H 1 3.084 0.002 . 2 . . . . 23 HIS HB3 . 17641 1 166 . 1 1 23 23 HIS CA C 13 55.396 0.020 . 1 . . . . 23 HIS CA . 17641 1 167 . 1 1 23 23 HIS CB C 13 29.721 0.020 . 1 . . . . 23 HIS CB . 17641 1 168 . 1 1 23 23 HIS N N 15 120.599 0.020 . 1 . . . . 23 HIS N . 17641 1 169 . 1 1 24 24 GLU H H 1 8.307 0.002 . 1 . . . . 24 GLU HN . 17641 1 170 . 1 1 24 24 GLU HA H 1 4.220 0.002 . 1 . . . . 24 GLU HA . 17641 1 171 . 1 1 24 24 GLU HB2 H 1 2.051 0.002 . 2 . . . . 24 GLU HB2 . 17641 1 172 . 1 1 24 24 GLU HB3 H 1 1.898 0.002 . 2 . . . . 24 GLU HB3 . 17641 1 173 . 1 1 24 24 GLU HG2 H 1 2.230 0.002 . 2 . . . . 24 GLU QG . 17641 1 174 . 1 1 24 24 GLU HG3 H 1 2.230 0.002 . 2 . . . . 24 GLU QG . 17641 1 175 . 1 1 24 24 GLU CA C 13 56.672 0.020 . 1 . . . . 24 GLU CA . 17641 1 176 . 1 1 24 24 GLU CB C 13 30.199 0.020 . 1 . . . . 24 GLU CB . 17641 1 177 . 1 1 24 24 GLU N N 15 122.673 0.020 . 1 . . . . 24 GLU N . 17641 1 178 . 1 1 25 25 GLU H H 1 8.400 0.002 . 1 . . . . 25 GLU HN . 17641 1 179 . 1 1 25 25 GLU HA H 1 4.283 0.002 . 1 . . . . 25 GLU HA . 17641 1 180 . 1 1 25 25 GLU HB2 H 1 2.064 0.002 . 2 . . . . 25 GLU HB2 . 17641 1 181 . 1 1 25 25 GLU HB3 H 1 1.936 0.002 . 2 . . . . 25 GLU HB3 . 17641 1 182 . 1 1 25 25 GLU HG2 H 1 2.268 0.002 . 2 . . . . 25 GLU QG . 17641 1 183 . 1 1 25 25 GLU HG3 H 1 2.268 0.002 . 2 . . . . 25 GLU QG . 17641 1 184 . 1 1 25 25 GLU CA C 13 56.752 0.020 . 1 . . . . 25 GLU CA . 17641 1 185 . 1 1 25 25 GLU CB C 13 30.279 0.020 . 1 . . . . 25 GLU CB . 17641 1 186 . 1 1 25 25 GLU N N 15 121.722 0.020 . 1 . . . . 25 GLU N . 17641 1 187 . 1 1 26 26 ALA H H 1 8.196 0.002 . 1 . . . . 26 ALA HN . 17641 1 188 . 1 1 26 26 ALA HA H 1 4.322 0.002 . 1 . . . . 26 ALA HA . 17641 1 189 . 1 1 26 26 ALA HB1 H 1 1.388 0.002 . 1 . . . . 26 ALA QB . 17641 1 190 . 1 1 26 26 ALA HB2 H 1 1.388 0.002 . 1 . . . . 26 ALA QB . 17641 1 191 . 1 1 26 26 ALA HB3 H 1 1.388 0.002 . 1 . . . . 26 ALA QB . 17641 1 192 . 1 1 26 26 ALA CA C 13 52.804 0.020 . 1 . . . . 26 ALA CA . 17641 1 193 . 1 1 26 26 ALA CB C 13 19.568 0.020 . 1 . . . . 26 ALA CB . 17641 1 194 . 1 1 26 26 ALA N N 15 124.209 0.020 . 1 . . . . 26 ALA N . 17641 1 195 . 1 1 27 27 ASP H H 1 8.145 0.002 . 1 . . . . 27 ASP HN . 17641 1 196 . 1 1 27 27 ASP HA H 1 4.566 0.002 . 1 . . . . 27 ASP HA . 17641 1 197 . 1 1 27 27 ASP HB2 H 1 2.625 0.002 . 2 . . . . 27 ASP QB . 17641 1 198 . 1 1 27 27 ASP HB3 H 1 2.625 0.002 . 2 . . . . 27 ASP QB . 17641 1 199 . 1 1 27 27 ASP CA C 13 54.824 0.020 . 1 . . . . 27 ASP CA . 17641 1 200 . 1 1 27 27 ASP CB C 13 41.173 0.020 . 1 . . . . 27 ASP CB . 17641 1 201 . 1 1 27 27 ASP N N 15 119.408 0.020 . 1 . . . . 27 ASP N . 17641 1 202 . 1 1 28 28 ASP H H 1 8.128 0.002 . 1 . . . . 28 ASP HN . 17641 1 203 . 1 1 28 28 ASP HA H 1 4.570 0.002 . 1 . . . . 28 ASP HA . 17641 1 204 . 1 1 28 28 ASP HB2 H 1 2.615 0.002 . 2 . . . . 28 ASP QB . 17641 1 205 . 1 1 28 28 ASP HB3 H 1 2.615 0.002 . 2 . . . . 28 ASP QB . 17641 1 206 . 1 1 28 28 ASP CA C 13 54.819 0.020 . 1 . . . . 28 ASP CA . 17641 1 207 . 1 1 28 28 ASP CB C 13 41.054 0.020 . 1 . . . . 28 ASP CB . 17641 1 208 . 1 1 28 28 ASP N N 15 120.023 0.020 . 1 . . . . 28 ASP N . 17641 1 209 . 1 1 29 29 TYR H H 1 7.967 0.002 . 1 . . . . 29 TYR HN . 17641 1 210 . 1 1 29 29 TYR HA H 1 4.411 0.002 . 1 . . . . 29 TYR HA . 17641 1 211 . 1 1 29 29 TYR HB2 H 1 3.033 0.002 . 2 . . . . 29 TYR QB . 17641 1 212 . 1 1 29 29 TYR HB3 H 1 3.033 0.002 . 2 . . . . 29 TYR QB . 17641 1 213 . 1 1 29 29 TYR CA C 13 58.847 0.020 . 1 . . . . 29 TYR CA . 17641 1 214 . 1 1 29 29 TYR CB C 13 38.536 0.020 . 1 . . . . 29 TYR CB . 17641 1 215 . 1 1 29 29 TYR N N 15 119.971 0.020 . 1 . . . . 29 TYR N . 17641 1 216 . 1 1 30 30 LEU H H 1 7.869 0.002 . 1 . . . . 30 LEU HN . 17641 1 217 . 1 1 30 30 LEU HA H 1 4.117 0.002 . 1 . . . . 30 LEU HA . 17641 1 218 . 1 1 30 30 LEU HB2 H 1 1.566 0.002 . 2 . . . . 30 LEU HB2 . 17641 1 219 . 1 1 30 30 LEU HB3 H 1 1.464 0.002 . 2 . . . . 30 LEU HB3 . 17641 1 220 . 1 1 30 30 LEU CA C 13 56.161 0.020 . 1 . . . . 30 LEU CA . 17641 1 221 . 1 1 30 30 LEU CB C 13 42.229 0.020 . 1 . . . . 30 LEU CB . 17641 1 222 . 1 1 30 30 LEU N N 15 121.868 0.020 . 1 . . . . 30 LEU N . 17641 1 223 . 1 1 31 31 ASP H H 1 7.993 0.002 . 1 . . . . 31 ASP HN . 17641 1 224 . 1 1 31 31 ASP HA H 1 4.436 0.002 . 1 . . . . 31 ASP HA . 17641 1 225 . 1 1 31 31 ASP HB2 H 1 2.582 0.002 . 2 . . . . 31 ASP QB . 17641 1 226 . 1 1 31 31 ASP HB3 H 1 2.582 0.002 . 2 . . . . 31 ASP QB . 17641 1 227 . 1 1 31 31 ASP CA C 13 55.082 0.020 . 1 . . . . 31 ASP CA . 17641 1 228 . 1 1 31 31 ASP CB C 13 40.886 0.020 . 1 . . . . 31 ASP CB . 17641 1 229 . 1 1 31 31 ASP N N 15 119.237 0.020 . 1 . . . . 31 ASP N . 17641 1 230 . 1 1 32 32 HIS H H 1 7.984 0.002 . 1 . . . . 32 HIS HN . 17641 1 231 . 1 1 32 32 HIS HA H 1 4.647 0.002 . 1 . . . . 32 HIS HA . 17641 1 232 . 1 1 32 32 HIS HB2 H 1 3.301 0.002 . 2 . . . . 32 HIS HB2 . 17641 1 233 . 1 1 32 32 HIS HB3 H 1 3.097 0.002 . 2 . . . . 32 HIS HB3 . 17641 1 234 . 1 1 32 32 HIS CA C 13 55.994 0.020 . 1 . . . . 32 HIS CA . 17641 1 235 . 1 1 32 32 HIS CB C 13 28.968 0.020 . 1 . . . . 32 HIS CB . 17641 1 236 . 1 1 32 32 HIS N N 15 117.121 0.020 . 1 . . . . 32 HIS N . 17641 1 237 . 1 1 33 33 LEU H H 1 7.994 0.002 . 1 . . . . 33 LEU HN . 17641 1 238 . 1 1 33 33 LEU HA H 1 4.220 0.002 . 1 . . . . 33 LEU HA . 17641 1 239 . 1 1 33 33 LEU HB2 H 1 1.651 0.002 . 2 . . . . 33 LEU HB2 . 17641 1 240 . 1 1 33 33 LEU HB3 H 1 1.592 0.002 . 2 . . . . 33 LEU HB3 . 17641 1 241 . 1 1 33 33 LEU CA C 13 56.161 0.020 . 1 . . . . 33 LEU CA . 17641 1 242 . 1 1 33 33 LEU CB C 13 42.397 0.020 . 1 . . . . 33 LEU CB . 17641 1 243 . 1 1 33 33 LEU N N 15 122.353 0.020 . 1 . . . . 33 LEU N . 17641 1 244 . 1 1 34 34 LEU H H 1 8.024 0.002 . 1 . . . . 34 LEU HN . 17641 1 245 . 1 1 34 34 LEU HA H 1 4.262 0.002 . 1 . . . . 34 LEU HA . 17641 1 246 . 1 1 34 34 LEU HB2 H 1 1.648 0.002 . 2 . . . . 34 LEU QB . 17641 1 247 . 1 1 34 34 LEU HB3 H 1 1.648 0.002 . 2 . . . . 34 LEU QB . 17641 1 248 . 1 1 34 34 LEU CA C 13 56.273 0.020 . 1 . . . . 34 LEU CA . 17641 1 249 . 1 1 34 34 LEU CB C 13 42.240 0.020 . 1 . . . . 34 LEU CB . 17641 1 250 . 1 1 34 34 LEU N N 15 121.451 0.020 . 1 . . . . 34 LEU N . 17641 1 251 . 1 1 35 35 ASP H H 1 8.001 0.002 . 1 . . . . 35 ASP HN . 17641 1 252 . 1 1 35 35 ASP HA H 1 4.563 0.002 . 1 . . . . 35 ASP HA . 17641 1 253 . 1 1 35 35 ASP HB2 H 1 2.676 0.002 . 2 . . . . 35 ASP QB . 17641 1 254 . 1 1 35 35 ASP HB3 H 1 2.676 0.002 . 2 . . . . 35 ASP QB . 17641 1 255 . 1 1 35 35 ASP CA C 13 55.157 0.020 . 1 . . . . 35 ASP CA . 17641 1 256 . 1 1 35 35 ASP CB C 13 41.123 0.020 . 1 . . . . 35 ASP CB . 17641 1 257 . 1 1 35 35 ASP N N 15 120.128 0.020 . 1 . . . . 35 ASP N . 17641 1 258 . 1 1 36 36 SER H H 1 8.005 0.002 . 1 . . . . 36 SER HN . 17641 1 259 . 1 1 36 36 SER HA H 1 4.444 0.002 . 1 . . . . 36 SER HA . 17641 1 260 . 1 1 36 36 SER HB2 H 1 3.875 0.002 . 2 . . . . 36 SER QB . 17641 1 261 . 1 1 36 36 SER HB3 H 1 3.875 0.002 . 2 . . . . 36 SER QB . 17641 1 262 . 1 1 36 36 SER CA C 13 58.679 0.020 . 1 . . . . 36 SER CA . 17641 1 263 . 1 1 36 36 SER CB C 13 63.972 0.020 . 1 . . . . 36 SER CB . 17641 1 264 . 1 1 36 36 SER N N 15 114.963 0.020 . 1 . . . . 36 SER N . 17641 1 265 . 1 1 37 37 LEU H H 1 8.069 0.002 . 1 . . . . 37 LEU HN . 17641 1 266 . 1 1 37 37 LEU HA H 1 4.296 0.002 . 1 . . . . 37 LEU HA . 17641 1 267 . 1 1 37 37 LEU HB2 H 1 1.678 0.002 . 2 . . . . 37 LEU HB2 . 17641 1 268 . 1 1 37 37 LEU HB3 H 1 1.592 0.002 . 2 . . . . 37 LEU HB3 . 17641 1 269 . 1 1 37 37 LEU HD11 H 1 0.878 0.002 . 9 . . . . 37 LEU QQD . 17641 1 270 . 1 1 37 37 LEU HD12 H 1 0.878 0.002 . 9 . . . . 37 LEU QQD . 17641 1 271 . 1 1 37 37 LEU HD13 H 1 0.878 0.002 . 9 . . . . 37 LEU QQD . 17641 1 272 . 1 1 37 37 LEU HD21 H 1 0.878 0.002 . 9 . . . . 37 LEU QQD . 17641 1 273 . 1 1 37 37 LEU HD22 H 1 0.878 0.002 . 9 . . . . 37 LEU QQD . 17641 1 274 . 1 1 37 37 LEU HD23 H 1 0.878 0.002 . 9 . . . . 37 LEU QQD . 17641 1 275 . 1 1 37 37 LEU CA C 13 55.980 0.020 . 1 . . . . 37 LEU CA . 17641 1 276 . 1 1 37 37 LEU CB C 13 42.229 0.020 . 1 . . . . 37 LEU CB . 17641 1 277 . 1 1 37 37 LEU N N 15 123.330 0.020 . 1 . . . . 37 LEU N . 17641 1 278 . 1 1 38 38 GLU H H 1 8.210 0.002 . 1 . . . . 38 GLU HN . 17641 1 279 . 1 1 38 38 GLU HA H 1 4.204 0.002 . 1 . . . . 38 GLU HA . 17641 1 280 . 1 1 38 38 GLU HB2 H 1 2.061 0.002 . 2 . . . . 38 GLU HB2 . 17641 1 281 . 1 1 38 38 GLU HB3 H 1 1.967 0.002 . 2 . . . . 38 GLU HB3 . 17641 1 282 . 1 1 38 38 GLU HG2 H 1 2.264 0.002 . 2 . . . . 38 GLU QG . 17641 1 283 . 1 1 38 38 GLU HG3 H 1 2.264 0.002 . 2 . . . . 38 GLU QG . 17641 1 284 . 1 1 38 38 GLU CA C 13 57.151 0.020 . 1 . . . . 38 GLU CA . 17641 1 285 . 1 1 38 38 GLU CB C 13 30.040 0.020 . 1 . . . . 38 GLU CB . 17641 1 286 . 1 1 38 38 GLU N N 15 120.791 0.020 . 1 . . . . 38 GLU N . 17641 1 287 . 1 1 39 39 GLU HA H 1 4.274 0.002 . 1 . . . . 39 GLU HA . 17641 1 288 . 1 1 39 39 GLU HB2 H 1 2.043 0.002 . 2 . . . . 39 GLU HB2 . 17641 1 289 . 1 1 39 39 GLU HB3 H 1 1.937 0.002 . 2 . . . . 39 GLU HB3 . 17641 1 290 . 1 1 39 39 GLU CA C 13 56.911 0.020 . 1 . . . . 39 GLU CA . 17641 1 291 . 1 1 39 39 GLU CB C 13 30.119 0.020 . 1 . . . . 39 GLU CB . 17641 1 292 . 1 1 40 40 LEU H H 1 8.056 0.002 . 1 . . . . 40 LEU HN . 17641 1 293 . 1 1 40 40 LEU HA H 1 4.347 0.002 . 1 . . . . 40 LEU HA . 17641 1 294 . 1 1 40 40 LEU HB2 H 1 1.643 0.002 . 2 . . . . 40 LEU QB . 17641 1 295 . 1 1 40 40 LEU HB3 H 1 1.643 0.002 . 2 . . . . 40 LEU QB . 17641 1 296 . 1 1 40 40 LEU CA C 13 55.585 0.020 . 1 . . . . 40 LEU CA . 17641 1 297 . 1 1 40 40 LEU CB C 13 42.481 0.020 . 1 . . . . 40 LEU CB . 17641 1 298 . 1 1 40 40 LEU N N 15 122.458 0.020 . 1 . . . . 40 LEU N . 17641 1 299 . 1 1 41 41 SER H H 1 8.103 0.002 . 1 . . . . 41 SER HN . 17641 1 300 . 1 1 41 41 SER HA H 1 4.395 0.002 . 1 . . . . 41 SER HA . 17641 1 301 . 1 1 41 41 SER HB2 H 1 3.874 0.002 . 2 . . . . 41 SER QB . 17641 1 302 . 1 1 41 41 SER HB3 H 1 3.874 0.002 . 2 . . . . 41 SER QB . 17641 1 303 . 1 1 41 41 SER CA C 13 58.847 0.020 . 1 . . . . 41 SER CA . 17641 1 304 . 1 1 41 41 SER CB C 13 64.051 0.020 . 1 . . . . 41 SER CB . 17641 1 305 . 1 1 41 41 SER N N 15 115.880 0.020 . 1 . . . . 41 SER N . 17641 1 306 . 1 1 42 42 GLU H H 1 8.125 0.002 . 1 . . . . 42 GLU HN . 17641 1 307 . 1 1 42 42 GLU HA H 1 4.283 0.002 . 1 . . . . 42 GLU HA . 17641 1 308 . 1 1 42 42 GLU HB2 H 1 2.038 0.002 . 2 . . . . 42 GLU HB2 . 17641 1 309 . 1 1 42 42 GLU HB3 H 1 1.911 0.002 . 2 . . . . 42 GLU HB3 . 17641 1 310 . 1 1 42 42 GLU HG2 H 1 2.243 0.002 . 2 . . . . 42 GLU QG . 17641 1 311 . 1 1 42 42 GLU HG3 H 1 2.243 0.002 . 2 . . . . 42 GLU QG . 17641 1 312 . 1 1 42 42 GLU CA C 13 56.581 0.020 . 1 . . . . 42 GLU CA . 17641 1 313 . 1 1 42 42 GLU CB C 13 30.395 0.020 . 1 . . . . 42 GLU CB . 17641 1 314 . 1 1 42 42 GLU N N 15 121.914 0.020 . 1 . . . . 42 GLU N . 17641 1 315 . 1 1 43 43 ALA H H 1 8.000 0.002 . 1 . . . . 43 ALA HN . 17641 1 316 . 1 1 43 43 ALA HA H 1 4.258 0.002 . 1 . . . . 43 ALA HA . 17641 1 317 . 1 1 43 43 ALA HB1 H 1 1.299 0.002 . 1 . . . . 43 ALA QB . 17641 1 318 . 1 1 43 43 ALA HB2 H 1 1.299 0.002 . 1 . . . . 43 ALA QB . 17641 1 319 . 1 1 43 43 ALA HB3 H 1 1.299 0.002 . 1 . . . . 43 ALA QB . 17641 1 320 . 1 1 43 43 ALA CA C 13 52.468 0.020 . 1 . . . . 43 ALA CA . 17641 1 321 . 1 1 43 43 ALA CB C 13 19.400 0.020 . 1 . . . . 43 ALA CB . 17641 1 322 . 1 1 43 43 ALA N N 15 123.963 0.020 . 1 . . . . 43 ALA N . 17641 1 323 . 1 1 44 44 HIS H H 1 8.271 0.002 . 1 . . . . 44 HIS HN . 17641 1 324 . 1 1 44 44 HIS HA H 1 4.956 0.002 . 1 . . . . 44 HIS HA . 17641 1 325 . 1 1 44 44 HIS HB2 H 1 3.232 0.002 . 2 . . . . 44 HIS HB2 . 17641 1 326 . 1 1 44 44 HIS HB3 H 1 3.108 0.002 . 2 . . . . 44 HIS HB3 . 17641 1 327 . 1 1 44 44 HIS CA C 13 53.476 0.020 . 1 . . . . 44 HIS CA . 17641 1 328 . 1 1 44 44 HIS CB C 13 29.136 0.020 . 1 . . . . 44 HIS CB . 17641 1 329 . 1 1 44 44 HIS N N 15 118.006 0.020 . 1 . . . . 44 HIS N . 17641 1 330 . 1 1 45 45 PRO HA H 1 4.451 0.002 . 1 . . . . 45 PRO HA . 17641 1 331 . 1 1 45 45 PRO HB2 H 1 2.281 0.002 . 2 . . . . 45 PRO HB2 . 17641 1 332 . 1 1 45 45 PRO HB3 H 1 1.968 0.002 . 2 . . . . 45 PRO HB3 . 17641 1 333 . 1 1 45 45 PRO CA C 13 63.715 0.020 . 1 . . . . 45 PRO CA . 17641 1 334 . 1 1 45 45 PRO CB C 13 32.157 0.020 . 1 . . . . 45 PRO CB . 17641 1 335 . 1 1 46 46 ASP H H 1 8.502 0.002 . 1 . . . . 46 ASP HN . 17641 1 336 . 1 1 46 46 ASP HA H 1 4.599 0.002 . 1 . . . . 46 ASP HA . 17641 1 337 . 1 1 46 46 ASP HB2 H 1 2.676 0.002 . 2 . . . . 46 ASP QB . 17641 1 338 . 1 1 46 46 ASP HB3 H 1 2.676 0.002 . 2 . . . . 46 ASP QB . 17641 1 339 . 1 1 46 46 ASP CA C 13 54.651 0.020 . 1 . . . . 46 ASP CA . 17641 1 340 . 1 1 46 46 ASP CB C 13 41.054 0.020 . 1 . . . . 46 ASP CB . 17641 1 341 . 1 1 46 46 ASP N N 15 119.343 0.020 . 1 . . . . 46 ASP N . 17641 1 342 . 1 1 47 47 CYS H H 1 8.036 0.002 . 1 . . . . 47 CYS HN . 17641 1 343 . 1 1 47 47 CYS HA H 1 4.533 0.002 . 1 . . . . 47 CYS HA . 17641 1 344 . 1 1 47 47 CYS HB2 H 1 2.893 0.002 . 2 . . . . 47 CYS QB . 17641 1 345 . 1 1 47 47 CYS HB3 H 1 2.893 0.002 . 2 . . . . 47 CYS QB . 17641 1 346 . 1 1 47 47 CYS CA C 13 58.176 0.020 . 1 . . . . 47 CYS CA . 17641 1 347 . 1 1 47 47 CYS CB C 13 28.297 0.020 . 1 . . . . 47 CYS CB . 17641 1 348 . 1 1 47 47 CYS N N 15 118.067 0.020 . 1 . . . . 47 CYS N . 17641 1 349 . 1 1 48 48 ILE H H 1 8.067 0.002 . 1 . . . . 48 ILE HN . 17641 1 350 . 1 1 48 48 ILE HA H 1 4.449 0.002 . 1 . . . . 48 ILE HA . 17641 1 351 . 1 1 48 48 ILE HB H 1 1.873 0.002 . 1 . . . . 48 ILE HB . 17641 1 352 . 1 1 48 48 ILE HG12 H 1 1.592 0.002 . 2 . . . . 48 ILE HG12 . 17641 1 353 . 1 1 48 48 ILE HG13 H 1 1.158 0.002 . 2 . . . . 48 ILE HG13 . 17641 1 354 . 1 1 48 48 ILE HG21 H 1 0.954 0.002 . 9 . . . . 48 ILE QG2 . 17641 1 355 . 1 1 48 48 ILE HG22 H 1 0.954 0.002 . 9 . . . . 48 ILE QG2 . 17641 1 356 . 1 1 48 48 ILE HG23 H 1 0.954 0.002 . 9 . . . . 48 ILE QG2 . 17641 1 357 . 1 1 48 48 ILE HD11 H 1 0.830 0.002 . 9 . . . . 48 ILE QD1 . 17641 1 358 . 1 1 48 48 ILE HD12 H 1 0.830 0.002 . 9 . . . . 48 ILE QD1 . 17641 1 359 . 1 1 48 48 ILE HD13 H 1 0.830 0.002 . 9 . . . . 48 ILE QD1 . 17641 1 360 . 1 1 48 48 ILE CA C 13 58.809 0.020 . 1 . . . . 48 ILE CA . 17641 1 361 . 1 1 48 48 ILE CB C 13 38.633 0.020 . 1 . . . . 48 ILE CB . 17641 1 362 . 1 1 48 48 ILE N N 15 124.234 0.020 . 1 . . . . 48 ILE N . 17641 1 363 . 1 1 49 49 PRO HA H 1 4.405 0.002 . 1 . . . . 49 PRO HA . 17641 1 364 . 1 1 49 49 PRO HB2 H 1 2.253 0.002 . 2 . . . . 49 PRO HB2 . 17641 1 365 . 1 1 49 49 PRO HB3 H 1 1.892 0.002 . 2 . . . . 49 PRO HB3 . 17641 1 366 . 1 1 49 49 PRO CA C 13 63.379 0.020 . 1 . . . . 49 PRO CA . 17641 1 367 . 1 1 49 49 PRO CB C 13 32.157 0.020 . 1 . . . . 49 PRO CB . 17641 1 368 . 1 1 50 50 ASP H H 1 8.183 0.002 . 1 . . . . 50 ASP HN . 17641 1 369 . 1 1 50 50 ASP HA H 1 4.559 0.002 . 1 . . . . 50 ASP HA . 17641 1 370 . 1 1 50 50 ASP HB2 H 1 2.702 0.002 . 2 . . . . 50 ASP HB2 . 17641 1 371 . 1 1 50 50 ASP HB3 H 1 2.600 0.002 . 2 . . . . 50 ASP HB3 . 17641 1 372 . 1 1 50 50 ASP CA C 13 54.819 0.020 . 1 . . . . 50 ASP CA . 17641 1 373 . 1 1 50 50 ASP CB C 13 41.222 0.020 . 1 . . . . 50 ASP CB . 17641 1 374 . 1 1 50 50 ASP N N 15 119.901 0.020 . 1 . . . . 50 ASP N . 17641 1 375 . 1 1 51 51 VAL H H 1 7.885 0.002 . 1 . . . . 51 VAL HN . 17641 1 376 . 1 1 51 51 VAL HA H 1 4.092 0.002 . 1 . . . . 51 VAL HA . 17641 1 377 . 1 1 51 51 VAL HB H 1 2.102 0.002 . 1 . . . . 51 VAL HB . 17641 1 378 . 1 1 51 51 VAL HG11 H 1 0.903 0.002 . 9 . . . . 51 VAL QQG . 17641 1 379 . 1 1 51 51 VAL HG12 H 1 0.903 0.002 . 9 . . . . 51 VAL QQG . 17641 1 380 . 1 1 51 51 VAL HG13 H 1 0.903 0.002 . 9 . . . . 51 VAL QQG . 17641 1 381 . 1 1 51 51 VAL HG21 H 1 0.903 0.002 . 9 . . . . 51 VAL QQG . 17641 1 382 . 1 1 51 51 VAL HG22 H 1 0.903 0.002 . 9 . . . . 51 VAL QQG . 17641 1 383 . 1 1 51 51 VAL HG23 H 1 0.903 0.002 . 9 . . . . 51 VAL QQG . 17641 1 384 . 1 1 51 51 VAL CA C 13 62.708 0.020 . 1 . . . . 51 VAL CA . 17641 1 385 . 1 1 51 51 VAL CB C 13 32.829 0.020 . 1 . . . . 51 VAL CB . 17641 1 386 . 1 1 51 51 VAL N N 15 119.062 0.020 . 1 . . . . 51 VAL N . 17641 1 387 . 1 1 52 52 GLU H H 1 8.275 0.002 . 1 . . . . 52 GLU HN . 17641 1 388 . 1 1 52 52 GLU HA H 1 4.245 0.002 . 1 . . . . 52 GLU HA . 17641 1 389 . 1 1 52 52 GLU HB2 H 1 2.051 0.002 . 2 . . . . 52 GLU HB2 . 17641 1 390 . 1 1 52 52 GLU HB3 H 1 1.924 0.002 . 2 . . . . 52 GLU HB3 . 17641 1 391 . 1 1 52 52 GLU HG2 H 1 2.230 0.002 . 2 . . . . 52 GLU QG . 17641 1 392 . 1 1 52 52 GLU HG3 H 1 2.230 0.002 . 2 . . . . 52 GLU QG . 17641 1 393 . 1 1 52 52 GLU CA C 13 57.001 0.020 . 1 . . . . 52 GLU CA . 17641 1 394 . 1 1 52 52 GLU CB C 13 30.143 0.020 . 1 . . . . 52 GLU CB . 17641 1 395 . 1 1 52 52 GLU N N 15 122.958 0.020 . 1 . . . . 52 GLU N . 17641 1 396 . 1 1 53 53 LEU H H 1 8.030 0.002 . 1 . . . . 53 LEU HN . 17641 1 397 . 1 1 53 53 LEU HA H 1 4.347 0.002 . 1 . . . . 53 LEU HA . 17641 1 398 . 1 1 53 53 LEU HB2 H 1 1.618 0.002 . 2 . . . . 53 LEU QB . 17641 1 399 . 1 1 53 53 LEU HB3 H 1 1.618 0.002 . 2 . . . . 53 LEU QB . 17641 1 400 . 1 1 53 53 LEU CA C 13 55.636 0.020 . 1 . . . . 53 LEU CA . 17641 1 401 . 1 1 53 53 LEU CB C 13 42.399 0.020 . 1 . . . . 53 LEU CB . 17641 1 402 . 1 1 53 53 LEU N N 15 122.321 0.020 . 1 . . . . 53 LEU N . 17641 1 403 . 1 1 54 54 SER H H 1 8.050 0.002 . 1 . . . . 54 SER HN . 17641 1 404 . 1 1 54 54 SER HA H 1 4.367 0.002 . 1 . . . . 54 SER HA . 17641 1 405 . 1 1 54 54 SER HB2 H 1 3.822 0.002 . 2 . . . . 54 SER QB . 17641 1 406 . 1 1 54 54 SER HB3 H 1 3.822 0.002 . 2 . . . . 54 SER QB . 17641 1 407 . 1 1 54 54 SER CA C 13 58.847 0.020 . 1 . . . . 54 SER CA . 17641 1 408 . 1 1 54 54 SER CB C 13 63.900 0.020 . 1 . . . . 54 SER CB . 17641 1 409 . 1 1 54 54 SER N N 15 115.017 0.020 . 1 . . . . 54 SER N . 17641 1 410 . 1 1 55 55 HIS HA H 1 4.688 0.002 . 1 . . . . 55 HIS HA . 17641 1 411 . 1 1 55 55 HIS HB2 H 1 3.268 0.002 . 2 . . . . 55 HIS HB2 . 17641 1 412 . 1 1 55 55 HIS HB3 H 1 3.145 0.002 . 2 . . . . 55 HIS HB3 . 17641 1 413 . 1 1 55 55 HIS CA C 13 56.114 0.020 . 1 . . . . 55 HIS CA . 17641 1 414 . 1 1 55 55 HIS CB C 13 29.641 0.020 . 1 . . . . 55 HIS CB . 17641 1 415 . 1 1 56 56 GLY H H 1 8.224 0.002 . 1 . . . . 56 GLY HN . 17641 1 416 . 1 1 56 56 GLY HA2 H 1 3.935 0.002 . 2 . . . . 56 GLY QA . 17641 1 417 . 1 1 56 56 GLY HA3 H 1 3.935 0.002 . 2 . . . . 56 GLY QA . 17641 1 418 . 1 1 56 56 GLY CA C 13 45.670 0.020 . 1 . . . . 56 GLY CA . 17641 1 419 . 1 1 56 56 GLY N N 15 108.897 0.020 . 1 . . . . 56 GLY N . 17641 1 420 . 1 1 57 57 VAL H H 1 7.867 0.002 . 1 . . . . 57 VAL HN . 17641 1 421 . 1 1 57 57 VAL HA H 1 4.186 0.002 . 1 . . . . 57 VAL HA . 17641 1 422 . 1 1 57 57 VAL HB H 1 2.065 0.002 . 1 . . . . 57 VAL HB . 17641 1 423 . 1 1 57 57 VAL HG11 H 1 0.903 0.002 . 9 . . . . 57 VAL QQG . 17641 1 424 . 1 1 57 57 VAL HG12 H 1 0.903 0.002 . 9 . . . . 57 VAL QQG . 17641 1 425 . 1 1 57 57 VAL HG13 H 1 0.903 0.002 . 9 . . . . 57 VAL QQG . 17641 1 426 . 1 1 57 57 VAL HG21 H 1 0.903 0.002 . 9 . . . . 57 VAL QQG . 17641 1 427 . 1 1 57 57 VAL HG22 H 1 0.903 0.002 . 9 . . . . 57 VAL QQG . 17641 1 428 . 1 1 57 57 VAL HG23 H 1 0.903 0.002 . 9 . . . . 57 VAL QQG . 17641 1 429 . 1 1 57 57 VAL CA C 13 62.601 0.020 . 1 . . . . 57 VAL CA . 17641 1 430 . 1 1 57 57 VAL CB C 13 32.809 0.020 . 1 . . . . 57 VAL CB . 17641 1 431 . 1 1 57 57 VAL N N 15 118.698 0.020 . 1 . . . . 57 VAL N . 17641 1 432 . 1 1 58 58 MET H H 1 8.358 0.002 . 1 . . . . 58 MET HN . 17641 1 433 . 1 1 58 58 MET HA H 1 4.581 0.002 . 1 . . . . 58 MET HA . 17641 1 434 . 1 1 58 58 MET HB2 H 1 2.102 0.002 . 2 . . . . 58 MET HB2 . 17641 1 435 . 1 1 58 58 MET HB3 H 1 2.000 0.002 . 2 . . . . 58 MET HB3 . 17641 1 436 . 1 1 58 58 MET CA C 13 55.658 0.020 . 1 . . . . 58 MET CA . 17641 1 437 . 1 1 58 58 MET CB C 13 33.332 0.020 . 1 . . . . 58 MET CB . 17641 1 438 . 1 1 58 58 MET N N 15 123.319 0.020 . 1 . . . . 58 MET N . 17641 1 439 . 1 1 59 59 THR H H 1 8.053 0.002 . 1 . . . . 59 THR HN . 17641 1 440 . 1 1 59 59 THR HA H 1 4.497 0.002 . 1 . . . . 59 THR HA . 17641 1 441 . 1 1 59 59 THR HB H 1 4.138 0.002 . 1 . . . . 59 THR HB . 17641 1 442 . 1 1 59 59 THR CA C 13 61.701 0.020 . 1 . . . . 59 THR CA . 17641 1 443 . 1 1 59 59 THR CB C 13 69.926 0.020 . 1 . . . . 59 THR CB . 17641 1 444 . 1 1 59 59 THR N N 15 115.409 0.020 . 1 . . . . 59 THR N . 17641 1 445 . 1 1 60 60 LEU H H 1 8.183 0.002 . 1 . . . . 60 LEU HN . 17641 1 446 . 1 1 60 60 LEU HA H 1 4.429 0.002 . 1 . . . . 60 LEU HA . 17641 1 447 . 1 1 60 60 LEU HB2 H 1 1.579 0.002 . 2 . . . . 60 LEU QB . 17641 1 448 . 1 1 60 60 LEU HB3 H 1 1.579 0.002 . 2 . . . . 60 LEU QB . 17641 1 449 . 1 1 60 60 LEU CA C 13 55.322 0.020 . 1 . . . . 60 LEU CA . 17641 1 450 . 1 1 60 60 LEU CB C 13 43.068 0.020 . 1 . . . . 60 LEU CB . 17641 1 451 . 1 1 60 60 LEU N N 15 124.034 0.020 . 1 . . . . 60 LEU N . 17641 1 452 . 1 1 61 61 GLU H H 1 8.246 0.002 . 1 . . . . 61 GLU HN . 17641 1 453 . 1 1 61 61 GLU HA H 1 4.363 0.002 . 1 . . . . 61 GLU HA . 17641 1 454 . 1 1 61 61 GLU HB2 H 1 2.013 0.002 . 2 . . . . 61 GLU QB . 17641 1 455 . 1 1 61 61 GLU HB3 H 1 2.013 0.002 . 2 . . . . 61 GLU QB . 17641 1 456 . 1 1 61 61 GLU HG2 H 1 2.217 0.002 . 2 . . . . 61 GLU QG . 17641 1 457 . 1 1 61 61 GLU HG3 H 1 2.217 0.002 . 2 . . . . 61 GLU QG . 17641 1 458 . 1 1 61 61 GLU CA C 13 56.273 0.020 . 1 . . . . 61 GLU CA . 17641 1 459 . 1 1 61 61 GLU CB C 13 29.322 0.020 . 1 . . . . 61 GLU CB . 17641 1 460 . 1 1 61 61 GLU N N 15 121.861 0.020 . 1 . . . . 61 GLU N . 17641 1 461 . 1 1 62 62 ILE H H 1 7.843 0.002 . 1 . . . . 62 ILE HN . 17641 1 462 . 1 1 62 62 ILE HA H 1 4.130 0.002 . 1 . . . . 62 ILE HA . 17641 1 463 . 1 1 62 62 ILE CA C 13 61.377 0.020 . 1 . . . . 62 ILE CA . 17641 1 464 . 1 1 62 62 ILE CB C 13 39.050 0.020 . 1 . . . . 62 ILE CB . 17641 1 465 . 1 1 62 62 ILE N N 15 120.134 0.020 . 1 . . . . 62 ILE N . 17641 1 466 . 1 1 63 63 PRO HA H 1 4.441 0.002 . 1 . . . . 63 PRO HA . 17641 1 467 . 1 1 63 63 PRO HB2 H 1 2.166 0.002 . 2 . . . . 63 PRO HB2 . 17641 1 468 . 1 1 63 63 PRO HB3 H 1 1.906 0.002 . 2 . . . . 63 PRO HB3 . 17641 1 469 . 1 1 63 63 PRO CA C 13 63.547 0.020 . 1 . . . . 63 PRO CA . 17641 1 470 . 1 1 63 63 PRO CB C 13 31.822 0.020 . 1 . . . . 63 PRO CB . 17641 1 471 . 1 1 64 64 ALA H H 1 8.110 0.002 . 1 . . . . 64 ALA HN . 17641 1 472 . 1 1 64 64 ALA HA H 1 4.194 0.002 . 1 . . . . 64 ALA HA . 17641 1 473 . 1 1 64 64 ALA HB1 H 1 1.286 0.002 . 1 . . . . 64 ALA QB . 17641 1 474 . 1 1 64 64 ALA HB2 H 1 1.286 0.002 . 1 . . . . 64 ALA QB . 17641 1 475 . 1 1 64 64 ALA HB3 H 1 1.286 0.002 . 1 . . . . 64 ALA QB . 17641 1 476 . 1 1 64 64 ALA CA C 13 52.972 0.020 . 1 . . . . 64 ALA CA . 17641 1 477 . 1 1 64 64 ALA CB C 13 19.064 0.020 . 1 . . . . 64 ALA CB . 17641 1 478 . 1 1 64 64 ALA N N 15 122.557 0.020 . 1 . . . . 64 ALA N . 17641 1 479 . 1 1 65 65 PHE H H 1 7.969 0.002 . 1 . . . . 65 PHE HN . 17641 1 480 . 1 1 65 65 PHE HA H 1 4.584 0.002 . 1 . . . . 65 PHE HA . 17641 1 481 . 1 1 65 65 PHE HB2 H 1 3.174 0.002 . 2 . . . . 65 PHE HB2 . 17641 1 482 . 1 1 65 65 PHE HB3 H 1 3.016 0.002 . 2 . . . . 65 PHE HB3 . 17641 1 483 . 1 1 65 65 PHE CA C 13 58.092 0.020 . 1 . . . . 65 PHE CA . 17641 1 484 . 1 1 65 65 PHE CB C 13 39.795 0.020 . 1 . . . . 65 PHE CB . 17641 1 485 . 1 1 65 65 PHE N N 15 118.002 0.020 . 1 . . . . 65 PHE N . 17641 1 486 . 1 1 66 66 GLY H H 1 8.200 0.002 . 1 . . . . 66 GLY HN . 17641 1 487 . 1 1 66 66 GLY HA2 H 1 3.995 0.002 . 2 . . . . 66 GLY HA1 . 17641 1 488 . 1 1 66 66 GLY HA3 H 1 3.838 0.002 . 2 . . . . 66 GLY HA2 . 17641 1 489 . 1 1 66 66 GLY CA C 13 45.586 0.020 . 1 . . . . 66 GLY CA . 17641 1 490 . 1 1 66 66 GLY N N 15 109.312 0.020 . 1 . . . . 66 GLY N . 17641 1 491 . 1 1 67 67 THR H H 1 7.856 0.002 . 1 . . . . 67 THR HN . 17641 1 492 . 1 1 67 67 THR HA H 1 4.349 0.002 . 1 . . . . 67 THR HA . 17641 1 493 . 1 1 67 67 THR HB H 1 4.207 0.002 . 1 . . . . 67 THR HB . 17641 1 494 . 1 1 67 67 THR CA C 13 62.372 0.020 . 1 . . . . 67 THR CA . 17641 1 495 . 1 1 67 67 THR CB C 13 69.866 0.020 . 1 . . . . 67 THR CB . 17641 1 496 . 1 1 67 67 THR N N 15 113.774 0.020 . 1 . . . . 67 THR N . 17641 1 497 . 1 1 68 68 TYR H H 1 8.037 0.002 . 1 . . . . 68 TYR HN . 17641 1 498 . 1 1 68 68 TYR HA H 1 4.449 0.002 . 1 . . . . 68 TYR HA . 17641 1 499 . 1 1 68 68 TYR HB2 H 1 3.327 0.002 . 2 . . . . 68 TYR QB . 17641 1 500 . 1 1 68 68 TYR HB3 H 1 3.327 0.002 . 2 . . . . 68 TYR QB . 17641 1 501 . 1 1 68 68 TYR CA C 13 58.107 0.020 . 1 . . . . 68 TYR CA . 17641 1 502 . 1 1 68 68 TYR CB C 13 39.130 0.020 . 1 . . . . 68 TYR CB . 17641 1 503 . 1 1 68 68 TYR N N 15 124.404 0.020 . 1 . . . . 68 TYR N . 17641 1 504 . 1 1 69 69 VAL H H 1 7.946 0.002 . 1 . . . . 69 VAL HN . 17641 1 505 . 1 1 69 69 VAL HA H 1 4.143 0.002 . 1 . . . . 69 VAL HA . 17641 1 506 . 1 1 69 69 VAL HB H 1 1.962 0.002 . 1 . . . . 69 VAL HB . 17641 1 507 . 1 1 69 69 VAL HG11 H 1 0.852 0.002 . 9 . . . . 69 VAL QQG . 17641 1 508 . 1 1 69 69 VAL HG12 H 1 0.852 0.002 . 9 . . . . 69 VAL QQG . 17641 1 509 . 1 1 69 69 VAL HG13 H 1 0.852 0.002 . 9 . . . . 69 VAL QQG . 17641 1 510 . 1 1 69 69 VAL HG21 H 1 0.852 0.002 . 9 . . . . 69 VAL QQG . 17641 1 511 . 1 1 69 69 VAL HG22 H 1 0.852 0.002 . 9 . . . . 69 VAL QQG . 17641 1 512 . 1 1 69 69 VAL HG23 H 1 0.852 0.002 . 9 . . . . 69 VAL QQG . 17641 1 513 . 1 1 69 69 VAL CA C 13 62.382 0.020 . 1 . . . . 69 VAL CA . 17641 1 514 . 1 1 69 69 VAL CB C 13 32.990 0.020 . 1 . . . . 69 VAL CB . 17641 1 515 . 1 1 69 69 VAL N N 15 121.367 0.020 . 1 . . . . 69 VAL N . 17641 1 516 . 1 1 70 70 ILE HA H 1 4.272 0.002 . 1 . . . . 70 ILE HA . 17641 1 517 . 1 1 70 70 ILE HB H 1 1.800 0.002 . 1 . . . . 70 ILE HB . 17641 1 518 . 1 1 70 70 ILE CA C 13 61.217 0.020 . 1 . . . . 70 ILE CA . 17641 1 519 . 1 1 70 70 ILE CB C 13 38.868 0.020 . 1 . . . . 70 ILE CB . 17641 1 520 . 1 1 71 71 ASN H H 1 8.263 0.002 . 1 . . . . 71 ASN HN . 17641 1 521 . 1 1 71 71 ASN HA H 1 4.713 0.002 . 1 . . . . 71 ASN HA . 17641 1 522 . 1 1 71 71 ASN HB2 H 1 2.804 0.002 . 2 . . . . 71 ASN HB2 . 17641 1 523 . 1 1 71 71 ASN HB3 H 1 2.713 0.002 . 2 . . . . 71 ASN HB3 . 17641 1 524 . 1 1 71 71 ASN CA C 13 53.403 0.020 . 1 . . . . 71 ASN CA . 17641 1 525 . 1 1 71 71 ASN CB C 13 39.050 0.020 . 1 . . . . 71 ASN CB . 17641 1 526 . 1 1 71 71 ASN N N 15 122.107 0.020 . 1 . . . . 71 ASN N . 17641 1 527 . 1 1 72 72 LYS HA H 1 4.269 0.002 . 1 . . . . 72 LYS HA . 17641 1 528 . 1 1 72 72 LYS HB2 H 1 1.825 0.002 . 2 . . . . 72 LYS HB2 . 17641 1 529 . 1 1 72 72 LYS HB3 H 1 1.708 0.002 . 2 . . . . 72 LYS HB3 . 17641 1 530 . 1 1 72 72 LYS CA C 13 56.433 0.020 . 1 . . . . 72 LYS CA . 17641 1 531 . 1 1 72 72 LYS CB C 13 33.149 0.020 . 1 . . . . 72 LYS CB . 17641 1 532 . 1 1 73 73 GLN H H 1 8.144 0.002 . 1 . . . . 73 GLN HN . 17641 1 533 . 1 1 73 73 GLN HA H 1 4.564 0.002 . 1 . . . . 73 GLN HA . 17641 1 534 . 1 1 73 73 GLN HB2 H 1 1.911 0.002 . 2 . . . . 73 GLN QB . 17641 1 535 . 1 1 73 73 GLN HB3 H 1 1.911 0.002 . 2 . . . . 73 GLN QB . 17641 1 536 . 1 1 73 73 GLN HG2 H 1 2.345 0.002 . 2 . . . . 73 GLN QG . 17641 1 537 . 1 1 73 73 GLN HG3 H 1 2.345 0.002 . 2 . . . . 73 GLN QG . 17641 1 538 . 1 1 73 73 GLN CA C 13 53.722 0.020 . 1 . . . . 73 GLN CA . 17641 1 539 . 1 1 73 73 GLN CB C 13 29.162 0.020 . 1 . . . . 73 GLN CB . 17641 1 540 . 1 1 73 73 GLN N N 15 121.641 0.020 . 1 . . . . 73 GLN N . 17641 1 541 . 1 1 75 75 PRO HA H 1 4.405 0.002 . 1 . . . . 75 PRO HA . 17641 1 542 . 1 1 75 75 PRO HB2 H 1 2.203 0.002 . 2 . . . . 75 PRO HB2 . 17641 1 543 . 1 1 75 75 PRO HB3 H 1 1.882 0.002 . 2 . . . . 75 PRO HB3 . 17641 1 544 . 1 1 75 75 PRO CA C 13 63.530 0.020 . 1 . . . . 75 PRO CA . 17641 1 545 . 1 1 75 75 PRO CB C 13 31.953 0.020 . 1 . . . . 75 PRO CB . 17641 1 546 . 1 1 76 76 ASN H H 1 8.331 0.002 . 1 . . . . 76 ASN HN . 17641 1 547 . 1 1 76 76 ASN HA H 1 4.691 0.002 . 1 . . . . 76 ASN HA . 17641 1 548 . 1 1 76 76 ASN HB2 H 1 2.753 0.002 . 2 . . . . 76 ASN QB . 17641 1 549 . 1 1 76 76 ASN HB3 H 1 2.753 0.002 . 2 . . . . 76 ASN QB . 17641 1 550 . 1 1 76 76 ASN CA C 13 53.323 0.020 . 1 . . . . 76 ASN CA . 17641 1 551 . 1 1 76 76 ASN CB C 13 39.130 0.020 . 1 . . . . 76 ASN CB . 17641 1 552 . 1 1 76 76 ASN N N 15 118.058 0.020 . 1 . . . . 76 ASN N . 17641 1 553 . 1 1 77 77 LYS HA H 1 4.373 0.002 . 1 . . . . 77 LYS HA . 17641 1 554 . 1 1 77 77 LYS HB2 H 1 1.884 0.002 . 2 . . . . 77 LYS HB2 . 17641 1 555 . 1 1 77 77 LYS HB3 H 1 1.704 0.002 . 2 . . . . 77 LYS HB3 . 17641 1 556 . 1 1 77 77 LYS CA C 13 56.382 0.020 . 1 . . . . 77 LYS CA . 17641 1 557 . 1 1 77 77 LYS CB C 13 33.149 0.020 . 1 . . . . 77 LYS CB . 17641 1 558 . 1 1 78 78 GLN H H 1 8.145 0.002 . 1 . . . . 78 GLN HN . 17641 1 559 . 1 1 78 78 GLN HA H 1 4.258 0.002 . 1 . . . . 78 GLN HA . 17641 1 560 . 1 1 78 78 GLN HB2 H 1 2.013 0.002 . 2 . . . . 78 GLN HB2 . 17641 1 561 . 1 1 78 78 GLN CA C 13 56.592 0.020 . 1 . . . . 78 GLN CA . 17641 1 562 . 1 1 78 78 GLN CB C 13 30.438 0.020 . 1 . . . . 78 GLN CB . 17641 1 563 . 1 1 78 78 GLN N N 15 120.314 0.020 . 1 . . . . 78 GLN N . 17641 1 564 . 1 1 79 79 ILE H H 1 8.038 0.002 . 1 . . . . 79 ILE HN . 17641 1 565 . 1 1 79 79 ILE HA H 1 4.283 0.002 . 1 . . . . 79 ILE HA . 17641 1 566 . 1 1 79 79 ILE HB H 1 1.860 0.002 . 1 . . . . 79 ILE HB . 17641 1 567 . 1 1 79 79 ILE CA C 13 61.212 0.020 . 1 . . . . 79 ILE CA . 17641 1 568 . 1 1 79 79 ILE CB C 13 38.891 0.020 . 1 . . . . 79 ILE CB . 17641 1 569 . 1 1 79 79 ILE N N 15 123.173 0.020 . 1 . . . . 79 ILE N . 17641 1 570 . 1 1 80 80 TRP H H 1 7.938 0.002 . 1 . . . . 80 TRP HN . 17641 1 571 . 1 1 80 80 TRP HA H 1 4.731 0.002 . 1 . . . . 80 TRP HA . 17641 1 572 . 1 1 80 80 TRP HB2 H 1 3.250 0.002 . 2 . . . . 80 TRP HB2 . 17641 1 573 . 1 1 80 80 TRP HB3 H 1 3.148 0.002 . 2 . . . . 80 TRP HB3 . 17641 1 574 . 1 1 80 80 TRP CA C 13 57.151 0.020 . 1 . . . . 80 TRP CA . 17641 1 575 . 1 1 80 80 TRP CB C 13 29.880 0.020 . 1 . . . . 80 TRP CB . 17641 1 576 . 1 1 80 80 TRP N N 15 123.488 0.020 . 1 . . . . 80 TRP N . 17641 1 577 . 1 1 81 81 LEU H H 1 7.843 0.002 . 1 . . . . 81 LEU HN . 17641 1 578 . 1 1 81 81 LEU HA H 1 4.311 0.002 . 1 . . . . 81 LEU HA . 17641 1 579 . 1 1 81 81 LEU HB2 H 1 1.464 0.002 . 2 . . . . 81 LEU QB . 17641 1 580 . 1 1 81 81 LEU HB3 H 1 1.464 0.002 . 2 . . . . 81 LEU QB . 17641 1 581 . 1 1 81 81 LEU CA C 13 55.154 0.020 . 1 . . . . 81 LEU CA . 17641 1 582 . 1 1 81 81 LEU CB C 13 42.900 0.020 . 1 . . . . 81 LEU CB . 17641 1 583 . 1 1 81 81 LEU N N 15 123.034 0.020 . 1 . . . . 81 LEU N . 17641 1 584 . 1 1 82 82 ALA H H 1 7.876 0.002 . 1 . . . . 82 ALA HN . 17641 1 585 . 1 1 82 82 ALA HA H 1 4.271 0.002 . 1 . . . . 82 ALA HA . 17641 1 586 . 1 1 82 82 ALA HB1 H 1 1.337 0.002 . 1 . . . . 82 ALA QB . 17641 1 587 . 1 1 82 82 ALA HB2 H 1 1.337 0.002 . 1 . . . . 82 ALA QB . 17641 1 588 . 1 1 82 82 ALA HB3 H 1 1.337 0.002 . 1 . . . . 82 ALA QB . 17641 1 589 . 1 1 82 82 ALA CA C 13 52.301 0.020 . 1 . . . . 82 ALA CA . 17641 1 590 . 1 1 82 82 ALA CB C 13 19.400 0.020 . 1 . . . . 82 ALA CB . 17641 1 591 . 1 1 82 82 ALA N N 15 123.680 0.020 . 1 . . . . 82 ALA N . 17641 1 592 . 1 1 83 83 SER H H 1 7.948 0.002 . 1 . . . . 83 SER HN . 17641 1 593 . 1 1 83 83 SER HA H 1 4.728 0.002 . 1 . . . . 83 SER HA . 17641 1 594 . 1 1 83 83 SER HB2 H 1 3.833 0.002 . 2 . . . . 83 SER QB . 17641 1 595 . 1 1 83 83 SER HB3 H 1 3.833 0.002 . 2 . . . . 83 SER QB . 17641 1 596 . 1 1 83 83 SER CA C 13 57.144 0.020 . 1 . . . . 83 SER CA . 17641 1 597 . 1 1 83 83 SER CB C 13 64.051 0.020 . 1 . . . . 83 SER CB . 17641 1 598 . 1 1 83 83 SER N N 15 115.228 0.020 . 1 . . . . 83 SER N . 17641 1 599 . 1 1 84 84 PRO HA H 1 4.426 0.002 . 1 . . . . 84 PRO HA . 17641 1 600 . 1 1 84 84 PRO HB2 H 1 2.234 0.002 . 2 . . . . 84 PRO HB2 . 17641 1 601 . 1 1 84 84 PRO HB3 H 1 2.040 0.002 . 2 . . . . 84 PRO HB3 . 17641 1 602 . 1 1 84 84 PRO CA C 13 63.609 0.020 . 1 . . . . 84 PRO CA . 17641 1 603 . 1 1 84 84 PRO CB C 13 31.874 0.020 . 1 . . . . 84 PRO CB . 17641 1 604 . 1 1 85 85 LEU H H 1 8.013 0.002 . 1 . . . . 85 LEU HN . 17641 1 605 . 1 1 85 85 LEU HA H 1 4.334 0.002 . 1 . . . . 85 LEU HA . 17641 1 606 . 1 1 85 85 LEU HB2 H 1 1.605 0.002 . 2 . . . . 85 LEU QB . 17641 1 607 . 1 1 85 85 LEU HB3 H 1 1.605 0.002 . 2 . . . . 85 LEU QB . 17641 1 608 . 1 1 85 85 LEU CA C 13 55.476 0.020 . 1 . . . . 85 LEU CA . 17641 1 609 . 1 1 85 85 LEU CB C 13 42.240 0.020 . 1 . . . . 85 LEU CB . 17641 1 610 . 1 1 85 85 LEU N N 15 120.138 0.020 . 1 . . . . 85 LEU N . 17641 1 611 . 1 1 86 86 SER H H 1 7.935 0.002 . 1 . . . . 86 SER HN . 17641 1 612 . 1 1 86 86 SER HA H 1 4.481 0.002 . 1 . . . . 86 SER HA . 17641 1 613 . 1 1 86 86 SER HB2 H 1 3.850 0.002 . 2 . . . . 86 SER QB . 17641 1 614 . 1 1 86 86 SER HB3 H 1 3.850 0.002 . 2 . . . . 86 SER QB . 17641 1 615 . 1 1 86 86 SER CA C 13 58.344 0.020 . 1 . . . . 86 SER CA . 17641 1 616 . 1 1 86 86 SER CB C 13 64.372 0.020 . 1 . . . . 86 SER CB . 17641 1 617 . 1 1 86 86 SER N N 15 114.758 0.020 . 1 . . . . 86 SER N . 17641 1 618 . 1 1 87 87 GLY H H 1 8.030 0.002 . 1 . . . . 87 GLY HN . 17641 1 619 . 1 1 87 87 GLY HA2 H 1 4.086 0.002 . 2 . . . . 87 GLY QA . 17641 1 620 . 1 1 87 87 GLY HA3 H 1 4.086 0.002 . 2 . . . . 87 GLY QA . 17641 1 621 . 1 1 87 87 GLY CA C 13 44.846 0.020 . 1 . . . . 87 GLY CA . 17641 1 622 . 1 1 87 87 GLY N N 15 110.130 0.020 . 1 . . . . 87 GLY N . 17641 1 623 . 1 1 88 88 PRO HA H 1 4.406 0.002 . 1 . . . . 88 PRO HA . 17641 1 624 . 1 1 88 88 PRO HB2 H 1 2.243 0.002 . 2 . . . . 88 PRO HB2 . 17641 1 625 . 1 1 88 88 PRO HB3 H 1 1.885 0.002 . 2 . . . . 88 PRO HB3 . 17641 1 626 . 1 1 88 88 PRO CA C 13 63.370 0.020 . 1 . . . . 88 PRO CA . 17641 1 627 . 1 1 88 88 PRO CB C 13 31.794 0.020 . 1 . . . . 88 PRO CB . 17641 1 628 . 1 1 89 89 ASN H H 1 8.192 0.002 . 1 . . . . 89 ASN HN . 17641 1 629 . 1 1 89 89 ASN HA H 1 4.626 0.002 . 1 . . . . 89 ASN HA . 17641 1 630 . 1 1 89 89 ASN HB2 H 1 2.804 0.002 . 2 . . . . 89 ASN QB . 17641 1 631 . 1 1 89 89 ASN HB3 H 1 2.804 0.002 . 2 . . . . 89 ASN QB . 17641 1 632 . 1 1 89 89 ASN CA C 13 53.483 0.020 . 1 . . . . 89 ASN CA . 17641 1 633 . 1 1 89 89 ASN CB C 13 38.651 0.020 . 1 . . . . 89 ASN CB . 17641 1 634 . 1 1 89 89 ASN N N 15 117.267 0.020 . 1 . . . . 89 ASN N . 17641 1 635 . 1 1 90 90 ARG HA H 1 4.329 0.002 . 1 . . . . 90 ARG HA . 17641 1 636 . 1 1 90 90 ARG HB2 H 1 1.878 0.002 . 2 . . . . 90 ARG HB2 . 17641 1 637 . 1 1 90 90 ARG HB3 H 1 1.764 0.002 . 2 . . . . 90 ARG HB3 . 17641 1 638 . 1 1 90 90 ARG CA C 13 56.356 0.020 . 1 . . . . 90 ARG CA . 17641 1 639 . 1 1 90 90 ARG CB C 13 30.598 0.020 . 1 . . . . 90 ARG CB . 17641 1 640 . 1 1 91 91 PHE H H 1 8.073 0.002 . 1 . . . . 91 PHE HN . 17641 1 641 . 1 1 91 91 PHE HA H 1 4.558 0.002 . 1 . . . . 91 PHE HA . 17641 1 642 . 1 1 91 91 PHE HB2 H 1 3.128 0.002 . 2 . . . . 91 PHE HB2 . 17641 1 643 . 1 1 91 91 PHE HB3 H 1 2.890 0.002 . 2 . . . . 91 PHE HB3 . 17641 1 644 . 1 1 91 91 PHE CA C 13 58.028 0.020 . 1 . . . . 91 PHE CA . 17641 1 645 . 1 1 91 91 PHE CB C 13 39.528 0.020 . 1 . . . . 91 PHE CB . 17641 1 646 . 1 1 91 91 PHE N N 15 119.936 0.020 . 1 . . . . 91 PHE N . 17641 1 647 . 1 1 92 92 ASP H H 1 7.977 0.002 . 1 . . . . 92 ASP HN . 17641 1 648 . 1 1 92 92 ASP HA H 1 4.428 0.002 . 1 . . . . 92 ASP HA . 17641 1 649 . 1 1 92 92 ASP HB2 H 1 2.587 0.002 . 2 . . . . 92 ASP QB . 17641 1 650 . 1 1 92 92 ASP HB3 H 1 2.587 0.002 . 2 . . . . 92 ASP QB . 17641 1 651 . 1 1 92 92 ASP CA C 13 55.319 0.020 . 1 . . . . 92 ASP CA . 17641 1 652 . 1 1 92 92 ASP CB C 13 40.886 0.020 . 1 . . . . 92 ASP CB . 17641 1 653 . 1 1 92 92 ASP N N 15 118.948 0.020 . 1 . . . . 92 ASP N . 17641 1 654 . 1 1 93 93 LEU H H 1 7.855 0.002 . 1 . . . . 93 LEU HN . 17641 1 655 . 1 1 93 93 LEU HA H 1 4.245 0.002 . 1 . . . . 93 LEU HA . 17641 1 656 . 1 1 93 93 LEU HB2 H 1 1.515 0.002 . 2 . . . . 93 LEU QB . 17641 1 657 . 1 1 93 93 LEU HB3 H 1 1.515 0.002 . 2 . . . . 93 LEU QB . 17641 1 658 . 1 1 93 93 LEU CA C 13 55.636 0.020 . 1 . . . . 93 LEU CA . 17641 1 659 . 1 1 93 93 LEU CB C 13 42.399 0.020 . 1 . . . . 93 LEU CB . 17641 1 660 . 1 1 93 93 LEU N N 15 121.484 0.020 . 1 . . . . 93 LEU N . 17641 1 661 . 1 1 94 94 LEU H H 1 8.050 0.002 . 1 . . . . 94 LEU HN . 17641 1 662 . 1 1 94 94 LEU HA H 1 4.271 0.002 . 1 . . . . 94 LEU HA . 17641 1 663 . 1 1 94 94 LEU HB2 H 1 1.626 0.002 . 2 . . . . 94 LEU QB . 17641 1 664 . 1 1 94 94 LEU HB3 H 1 1.626 0.002 . 2 . . . . 94 LEU QB . 17641 1 665 . 1 1 94 94 LEU CA C 13 55.556 0.020 . 1 . . . . 94 LEU CA . 17641 1 666 . 1 1 94 94 LEU CB C 13 42.160 0.020 . 1 . . . . 94 LEU CB . 17641 1 667 . 1 1 94 94 LEU N N 15 120.559 0.020 . 1 . . . . 94 LEU N . 17641 1 668 . 1 1 95 95 ASN H H 1 8.186 0.002 . 1 . . . . 95 ASN HN . 17641 1 669 . 1 1 95 95 ASN HA H 1 4.634 0.002 . 1 . . . . 95 ASN HA . 17641 1 670 . 1 1 95 95 ASN HB2 H 1 2.824 0.002 . 2 . . . . 95 ASN HB2 . 17641 1 671 . 1 1 95 95 ASN HB3 H 1 2.702 0.002 . 2 . . . . 95 ASN HB3 . 17641 1 672 . 1 1 95 95 ASN CA C 13 53.644 0.020 . 1 . . . . 95 ASN CA . 17641 1 673 . 1 1 95 95 ASN CB C 13 39.208 0.020 . 1 . . . . 95 ASN CB . 17641 1 674 . 1 1 95 95 ASN N N 15 118.678 0.020 . 1 . . . . 95 ASN N . 17641 1 675 . 1 1 96 96 GLY H H 1 8.071 0.002 . 1 . . . . 96 GLY HN . 17641 1 676 . 1 1 96 96 GLY HA2 H 1 3.867 0.002 . 2 . . . . 96 GLY HA1 . 17641 1 677 . 1 1 96 96 GLY HA3 H 1 3.785 0.002 . 2 . . . . 96 GLY HA2 . 17641 1 678 . 1 1 96 96 GLY CA C 13 45.922 0.020 . 1 . . . . 96 GLY CA . 17641 1 679 . 1 1 96 96 GLY N N 15 107.625 0.020 . 1 . . . . 96 GLY N . 17641 1 680 . 1 1 97 97 GLU H H 1 8.071 0.002 . 1 . . . . 97 GLU HN . 17641 1 681 . 1 1 97 97 GLU HA H 1 4.286 0.002 . 1 . . . . 97 GLU HA . 17641 1 682 . 1 1 97 97 GLU HB2 H 1 1.962 0.002 . 2 . . . . 97 GLU QB . 17641 1 683 . 1 1 97 97 GLU HB3 H 1 1.962 0.002 . 2 . . . . 97 GLU QB . 17641 1 684 . 1 1 97 97 GLU CA C 13 56.630 0.020 . 1 . . . . 97 GLU CA . 17641 1 685 . 1 1 97 97 GLU CB C 13 30.651 0.020 . 1 . . . . 97 GLU CB . 17641 1 686 . 1 1 97 97 GLU N N 15 120.134 0.020 . 1 . . . . 97 GLU N . 17641 1 687 . 1 1 98 98 TRP H H 1 8.057 0.002 . 1 . . . . 98 TRP HN . 17641 1 688 . 1 1 98 98 TRP HA H 1 4.690 0.002 . 1 . . . . 98 TRP HA . 17641 1 689 . 1 1 98 98 TRP HB2 H 1 3.216 0.002 . 2 . . . . 98 TRP QB . 17641 1 690 . 1 1 98 98 TRP HB3 H 1 3.216 0.002 . 2 . . . . 98 TRP QB . 17641 1 691 . 1 1 98 98 TRP CA C 13 58.107 0.020 . 1 . . . . 98 TRP CA . 17641 1 692 . 1 1 98 98 TRP CB C 13 29.641 0.020 . 1 . . . . 98 TRP CB . 17641 1 693 . 1 1 98 98 TRP N N 15 121.042 0.020 . 1 . . . . 98 TRP N . 17641 1 694 . 1 1 99 99 VAL H H 1 7.975 0.002 . 1 . . . . 99 VAL HN . 17641 1 695 . 1 1 99 99 VAL HB H 1 2.089 0.002 . 1 . . . . 99 VAL HB . 17641 1 696 . 1 1 99 99 VAL HA H 1 4.105 0.002 . 1 . . . . 99 VAL HA . 17641 1 697 . 1 1 99 99 VAL CA C 13 62.334 0.020 . 1 . . . . 99 VAL CA . 17641 1 698 . 1 1 99 99 VAL CB C 13 32.990 0.020 . 1 . . . . 99 VAL CB . 17641 1 699 . 1 1 99 99 VAL N N 15 119.400 0.020 . 1 . . . . 99 VAL N . 17641 1 700 . 1 1 100 100 SER H H 1 8.089 0.002 . 1 . . . . 100 SER HN . 17641 1 701 . 1 1 100 100 SER HA H 1 4.418 0.002 . 1 . . . . 100 SER HA . 17641 1 702 . 1 1 100 100 SER HB2 H 1 3.818 0.002 . 2 . . . . 100 SER QB . 17641 1 703 . 1 1 100 100 SER HB3 H 1 3.818 0.002 . 2 . . . . 100 SER QB . 17641 1 704 . 1 1 100 100 SER CA C 13 58.511 0.020 . 1 . . . . 100 SER CA . 17641 1 705 . 1 1 100 100 SER CB C 13 63.883 0.020 . 1 . . . . 100 SER CB . 17641 1 706 . 1 1 100 100 SER N N 15 117.318 0.020 . 1 . . . . 100 SER N . 17641 1 707 . 1 1 101 101 LEU H H 1 7.973 0.002 . 1 . . . . 101 LEU HN . 17641 1 708 . 1 1 101 101 LEU HA H 1 4.301 0.002 . 1 . . . . 101 LEU HA . 17641 1 709 . 1 1 101 101 LEU HB2 H 1 1.413 0.002 . 2 . . . . 101 LEU QB . 17641 1 710 . 1 1 101 101 LEU HB3 H 1 1.413 0.002 . 2 . . . . 101 LEU QB . 17641 1 711 . 1 1 101 101 LEU CA C 13 55.317 0.020 . 1 . . . . 101 LEU CA . 17641 1 712 . 1 1 101 101 LEU CB C 13 42.558 0.020 . 1 . . . . 101 LEU CB . 17641 1 713 . 1 1 101 101 LEU N N 15 123.754 0.020 . 1 . . . . 101 LEU N . 17641 1 714 . 1 1 102 102 ARG HA H 1 4.233 0.002 . 1 . . . . 102 ARG HA . 17641 1 715 . 1 1 102 102 ARG HB2 H 1 1.771 0.002 . 2 . . . . 102 ARG HB2 . 17641 1 716 . 1 1 102 102 ARG HB3 H 1 1.847 0.002 . 2 . . . . 102 ARG HB3 . 17641 1 717 . 1 1 102 102 ARG CA C 13 56.248 0.020 . 1 . . . . 102 ARG CA . 17641 1 718 . 1 1 102 102 ARG CB C 13 30.224 0.020 . 1 . . . . 102 ARG CB . 17641 1 719 . 1 1 103 103 ASN H H 1 8.267 0.002 . 1 . . . . 103 ASN HN . 17641 1 720 . 1 1 103 103 ASN HA H 1 4.585 0.002 . 1 . . . . 103 ASN HA . 17641 1 721 . 1 1 103 103 ASN HB2 H 1 2.855 0.002 . 2 . . . . 103 ASN QB . 17641 1 722 . 1 1 103 103 ASN HB3 H 1 2.855 0.002 . 2 . . . . 103 ASN QB . 17641 1 723 . 1 1 103 103 ASN CA C 13 53.403 0.020 . 1 . . . . 103 ASN CA . 17641 1 724 . 1 1 103 103 ASN CB C 13 39.050 0.020 . 1 . . . . 103 ASN CB . 17641 1 725 . 1 1 103 103 ASN N N 15 122.189 0.020 . 1 . . . . 103 ASN N . 17641 1 726 . 1 1 104 104 GLY H H 1 8.072 0.002 . 1 . . . . 104 GLY HN . 17641 1 727 . 1 1 104 104 GLY HA2 H 1 3.888 0.002 . 2 . . . . 104 GLY HA1 . 17641 1 728 . 1 1 104 104 GLY HA3 H 1 3.786 0.002 . 2 . . . . 104 GLY HA2 . 17641 1 729 . 1 1 104 104 GLY CA C 13 45.907 0.020 . 1 . . . . 104 GLY CA . 17641 1 730 . 1 1 104 104 GLY N N 15 107.243 0.020 . 1 . . . . 104 GLY N . 17641 1 731 . 1 1 105 105 THR H H 1 7.883 0.002 . 1 . . . . 105 THR HN . 17641 1 732 . 1 1 105 105 THR HA H 1 4.321 0.002 . 1 . . . . 105 THR HA . 17641 1 733 . 1 1 105 105 THR HB H 1 4.170 0.002 . 1 . . . . 105 THR HB . 17641 1 734 . 1 1 105 105 THR CA C 13 62.204 0.020 . 1 . . . . 105 THR CA . 17641 1 735 . 1 1 105 105 THR CB C 13 70.094 0.020 . 1 . . . . 105 THR CB . 17641 1 736 . 1 1 105 105 THR N N 15 113.919 0.020 . 1 . . . . 105 THR N . 17641 1 737 . 1 1 106 106 LYS H H 1 8.285 0.002 . 1 . . . . 106 LYS HN . 17641 1 738 . 1 1 106 106 LYS HA H 1 4.322 0.002 . 1 . . . . 106 LYS HA . 17641 1 739 . 1 1 106 106 LYS HB2 H 1 1.911 0.002 . 2 . . . . 106 LYS HB2 . 17641 1 740 . 1 1 106 106 LYS HB3 H 1 1.758 0.002 . 2 . . . . 106 LYS HB3 . 17641 1 741 . 1 1 106 106 LYS CA C 13 56.065 0.020 . 1 . . . . 106 LYS CA . 17641 1 742 . 1 1 106 106 LYS CB C 13 33.211 0.020 . 1 . . . . 106 LYS CB . 17641 1 743 . 1 1 106 106 LYS N N 15 123.732 0.020 . 1 . . . . 106 LYS N . 17641 1 744 . 1 1 107 107 LEU H H 1 8.030 0.002 . 1 . . . . 107 LEU HN . 17641 1 745 . 1 1 107 107 LEU HB2 H 1 1.656 0.002 . 2 . . . . 107 LEU QB . 17641 1 746 . 1 1 107 107 LEU HB3 H 1 1.656 0.002 . 2 . . . . 107 LEU QB . 17641 1 747 . 1 1 107 107 LEU CA C 13 56.273 0.020 . 1 . . . . 107 LEU CA . 17641 1 748 . 1 1 107 107 LEU CB C 13 42.240 0.020 . 1 . . . . 107 LEU CB . 17641 1 749 . 1 1 107 107 LEU N N 15 121.123 0.020 . 1 . . . . 107 LEU N . 17641 1 750 . 1 1 108 108 THR H H 1 7.853 0.002 . 1 . . . . 108 THR HN . 17641 1 751 . 1 1 108 108 THR HA H 1 4.286 0.002 . 1 . . . . 108 THR HA . 17641 1 752 . 1 1 108 108 THR HB H 1 4.251 0.002 . 1 . . . . 108 THR HB . 17641 1 753 . 1 1 108 108 THR CA C 13 62.372 0.020 . 1 . . . . 108 THR CA . 17641 1 754 . 1 1 108 108 THR CB C 13 69.590 0.020 . 1 . . . . 108 THR CB . 17641 1 755 . 1 1 108 108 THR N N 15 111.955 0.020 . 1 . . . . 108 THR N . 17641 1 756 . 1 1 109 109 ASP H H 1 8.162 0.002 . 1 . . . . 109 ASP HN . 17641 1 757 . 1 1 109 109 ASP HA H 1 4.538 0.002 . 1 . . . . 109 ASP HA . 17641 1 758 . 1 1 109 109 ASP HB2 H 1 2.676 0.002 . 2 . . . . 109 ASP QB . 17641 1 759 . 1 1 109 109 ASP HB3 H 1 2.676 0.002 . 2 . . . . 109 ASP QB . 17641 1 760 . 1 1 109 109 ASP CA C 13 54.978 0.020 . 1 . . . . 109 ASP CA . 17641 1 761 . 1 1 109 109 ASP CB C 13 41.203 0.020 . 1 . . . . 109 ASP CB . 17641 1 762 . 1 1 109 109 ASP N N 15 122.025 0.020 . 1 . . . . 109 ASP N . 17641 1 763 . 1 1 110 110 ILE H H 1 7.800 0.002 . 1 . . . . 110 ILE HN . 17641 1 764 . 1 1 110 110 ILE HA H 1 4.156 0.002 . 1 . . . . 110 ILE HA . 17641 1 765 . 1 1 110 110 ILE HB H 1 1.860 0.002 . 1 . . . . 110 ILE HB . 17641 1 766 . 1 1 110 110 ILE CA C 13 61.533 0.020 . 1 . . . . 110 ILE CA . 17641 1 767 . 1 1 110 110 ILE CB C 13 38.872 0.020 . 1 . . . . 110 ILE CB . 17641 1 768 . 1 1 110 110 ILE N N 15 119.331 0.020 . 1 . . . . 110 ILE N . 17641 1 769 . 1 1 111 111 LEU H H 1 8.065 0.002 . 1 . . . . 111 LEU HN . 17641 1 770 . 1 1 111 111 LEU HA H 1 4.373 0.002 . 1 . . . . 111 LEU HA . 17641 1 771 . 1 1 111 111 LEU HB2 H 1 1.618 0.002 . 2 . . . . 111 LEU HB2 . 17641 1 772 . 1 1 111 111 LEU HB3 H 1 1.515 0.002 . 2 . . . . 111 LEU HB3 . 17641 1 773 . 1 1 111 111 LEU CA C 13 55.322 0.020 . 1 . . . . 111 LEU CA . 17641 1 774 . 1 1 111 111 LEU CB C 13 42.565 0.020 . 1 . . . . 111 LEU CB . 17641 1 775 . 1 1 111 111 LEU N N 15 125.210 0.020 . 1 . . . . 111 LEU N . 17641 1 776 . 1 1 112 112 THR H H 1 7.901 0.002 . 1 . . . . 112 THR HN . 17641 1 777 . 1 1 112 112 THR HA H 1 4.302 0.002 . 1 . . . . 112 THR HA . 17641 1 778 . 1 1 112 112 THR HB H 1 4.237 0.002 . 1 . . . . 112 THR HB . 17641 1 779 . 1 1 112 112 THR CA C 13 62.540 0.020 . 1 . . . . 112 THR CA . 17641 1 780 . 1 1 112 112 THR CB C 13 69.926 0.020 . 1 . . . . 112 THR CB . 17641 1 781 . 1 1 112 112 THR N N 15 114.444 0.020 . 1 . . . . 112 THR N . 17641 1 782 . 1 1 113 113 GLU H H 1 8.285 0.002 . 1 . . . . 113 GLU HN . 17641 1 783 . 1 1 113 113 GLU HA H 1 4.258 0.002 . 1 . . . . 113 GLU HA . 17641 1 784 . 1 1 113 113 GLU HB2 H 1 1.993 0.002 . 2 . . . . 113 GLU QB . 17641 1 785 . 1 1 113 113 GLU HB3 H 1 1.993 0.002 . 2 . . . . 113 GLU QB . 17641 1 786 . 1 1 113 113 GLU HG2 H 1 2.250 0.002 . 2 . . . . 113 GLU QG . 17641 1 787 . 1 1 113 113 GLU HG3 H 1 2.250 0.002 . 2 . . . . 113 GLU QG . 17641 1 788 . 1 1 113 113 GLU CA C 13 57.336 0.020 . 1 . . . . 113 GLU CA . 17641 1 789 . 1 1 113 113 GLU CB C 13 30.386 0.020 . 1 . . . . 113 GLU CB . 17641 1 790 . 1 1 113 113 GLU N N 15 122.240 0.020 . 1 . . . . 113 GLU N . 17641 1 791 . 1 1 114 114 GLU H H 1 8.180 0.002 . 1 . . . . 114 GLU HN . 17641 1 792 . 1 1 114 114 GLU HA H 1 4.251 0.002 . 1 . . . . 114 GLU HA . 17641 1 793 . 1 1 114 114 GLU HB2 H 1 2.045 0.002 . 2 . . . . 114 GLU HB2 . 17641 1 794 . 1 1 114 114 GLU HB3 H 1 1.951 0.002 . 2 . . . . 114 GLU HB3 . 17641 1 795 . 1 1 114 114 GLU HG2 H 1 2.264 0.002 . 2 . . . . 114 GLU QG . 17641 1 796 . 1 1 114 114 GLU HG3 H 1 2.264 0.002 . 2 . . . . 114 GLU QG . 17641 1 797 . 1 1 114 114 GLU CA C 13 57.151 0.020 . 1 . . . . 114 GLU CA . 17641 1 798 . 1 1 114 114 GLU CB C 13 30.040 0.020 . 1 . . . . 114 GLU CB . 17641 1 799 . 1 1 114 114 GLU N N 15 120.803 0.020 . 1 . . . . 114 GLU N . 17641 1 800 . 1 1 115 115 VAL H H 1 7.888 0.002 . 1 . . . . 115 VAL HN . 17641 1 801 . 1 1 115 115 VAL HA H 1 3.977 0.002 . 1 . . . . 115 VAL HA . 17641 1 802 . 1 1 115 115 VAL HB H 1 2.115 0.002 . 1 . . . . 115 VAL HB . 17641 1 803 . 1 1 115 115 VAL HG11 H 1 0.942 0.002 . 9 . . . . 115 VAL QQG . 17641 1 804 . 1 1 115 115 VAL HG12 H 1 0.942 0.002 . 9 . . . . 115 VAL QQG . 17641 1 805 . 1 1 115 115 VAL HG13 H 1 0.942 0.002 . 9 . . . . 115 VAL QQG . 17641 1 806 . 1 1 115 115 VAL HG21 H 1 0.942 0.002 . 9 . . . . 115 VAL QQG . 17641 1 807 . 1 1 115 115 VAL HG22 H 1 0.942 0.002 . 9 . . . . 115 VAL QQG . 17641 1 808 . 1 1 115 115 VAL HG23 H 1 0.942 0.002 . 9 . . . . 115 VAL QQG . 17641 1 809 . 1 1 115 115 VAL CA C 13 63.530 0.020 . 1 . . . . 115 VAL CA . 17641 1 810 . 1 1 115 115 VAL CB C 13 32.591 0.020 . 1 . . . . 115 VAL CB . 17641 1 811 . 1 1 115 115 VAL N N 15 120.268 0.020 . 1 . . . . 115 VAL N . 17641 1 812 . 1 1 116 116 GLU H H 1 8.261 0.002 . 1 . . . . 116 GLU HN . 17641 1 813 . 1 1 116 116 GLU HA H 1 4.172 0.002 . 1 . . . . 116 GLU HA . 17641 1 814 . 1 1 116 116 GLU HB2 H 1 2.004 0.002 . 2 . . . . 116 GLU QB . 17641 1 815 . 1 1 116 116 GLU HB3 H 1 2.004 0.002 . 2 . . . . 116 GLU QB . 17641 1 816 . 1 1 116 116 GLU HG2 H 1 2.207 0.002 . 2 . . . . 116 GLU QG . 17641 1 817 . 1 1 116 116 GLU HG3 H 1 2.207 0.002 . 2 . . . . 116 GLU QG . 17641 1 818 . 1 1 116 116 GLU CA C 13 57.868 0.020 . 1 . . . . 116 GLU CA . 17641 1 819 . 1 1 116 116 GLU CB C 13 29.960 0.020 . 1 . . . . 116 GLU CB . 17641 1 820 . 1 1 116 116 GLU N N 15 121.949 0.020 . 1 . . . . 116 GLU N . 17641 1 821 . 1 1 117 117 LYS H H 1 8.000 0.002 . 1 . . . . 117 LYS HN . 17641 1 822 . 1 1 117 117 LYS HA H 1 4.232 0.002 . 1 . . . . 117 LYS HA . 17641 1 823 . 1 1 117 117 LYS HB2 H 1 1.809 0.002 . 2 . . . . 117 LYS QB . 17641 1 824 . 1 1 117 117 LYS HB3 H 1 1.809 0.002 . 2 . . . . 117 LYS QB . 17641 1 825 . 1 1 117 117 LYS CA C 13 56.752 0.020 . 1 . . . . 117 LYS CA . 17641 1 826 . 1 1 117 117 LYS CB C 13 32.990 0.020 . 1 . . . . 117 LYS CB . 17641 1 827 . 1 1 117 117 LYS N N 15 120.722 0.020 . 1 . . . . 117 LYS N . 17641 1 828 . 1 1 118 118 ALA H H 1 7.983 0.002 . 1 . . . . 118 ALA HN . 17641 1 829 . 1 1 118 118 ALA HA H 1 4.296 0.002 . 1 . . . . 118 ALA HA . 17641 1 830 . 1 1 118 118 ALA HB1 H 1 1.292 0.002 . 1 . . . . 118 ALA QB . 17641 1 831 . 1 1 118 118 ALA HB2 H 1 1.292 0.002 . 1 . . . . 118 ALA QB . 17641 1 832 . 1 1 118 118 ALA HB3 H 1 1.292 0.002 . 1 . . . . 118 ALA QB . 17641 1 833 . 1 1 118 118 ALA CA C 13 52.622 0.020 . 1 . . . . 118 ALA CA . 17641 1 834 . 1 1 118 118 ALA CB C 13 19.261 0.020 . 1 . . . . 118 ALA CB . 17641 1 835 . 1 1 118 118 ALA N N 15 123.767 0.020 . 1 . . . . 118 ALA N . 17641 1 836 . 1 1 119 119 ILE H H 1 7.883 0.002 . 1 . . . . 119 ILE HN . 17641 1 837 . 1 1 119 119 ILE HA H 1 4.163 0.002 . 1 . . . . 119 ILE HA . 17641 1 838 . 1 1 119 119 ILE HB H 1 1.882 0.002 . 1 . . . . 119 ILE HB . 17641 1 839 . 1 1 119 119 ILE HG12 H 1 1.197 0.002 . 2 . . . . 119 ILE HG12 . 17641 1 840 . 1 1 119 119 ILE HG21 H 1 0.905 0.002 . 1 . . . . 119 ILE QG2 . 17641 1 841 . 1 1 119 119 ILE HG22 H 1 0.905 0.002 . 1 . . . . 119 ILE QG2 . 17641 1 842 . 1 1 119 119 ILE HG23 H 1 0.905 0.002 . 1 . . . . 119 ILE QG2 . 17641 1 843 . 1 1 119 119 ILE CA C 13 61.533 0.020 . 1 . . . . 119 ILE CA . 17641 1 844 . 1 1 119 119 ILE CB C 13 39.040 0.020 . 1 . . . . 119 ILE CB . 17641 1 845 . 1 1 119 119 ILE N N 15 118.471 0.020 . 1 . . . . 119 ILE N . 17641 1 846 . 1 1 120 120 SER H H 1 8.095 0.002 . 1 . . . . 120 SER HN . 17641 1 847 . 1 1 120 120 SER HA H 1 4.432 0.002 . 1 . . . . 120 SER HA . 17641 1 848 . 1 1 120 120 SER HB2 H 1 3.866 0.002 . 2 . . . . 120 SER QB . 17641 1 849 . 1 1 120 120 SER HB3 H 1 3.866 0.002 . 2 . . . . 120 SER QB . 17641 1 850 . 1 1 120 120 SER CA C 13 58.511 0.020 . 1 . . . . 120 SER CA . 17641 1 851 . 1 1 120 120 SER CB C 13 63.883 0.020 . 1 . . . . 120 SER CB . 17641 1 852 . 1 1 120 120 SER N N 15 118.545 0.020 . 1 . . . . 120 SER N . 17641 1 853 . 1 1 121 121 LYS H H 1 8.122 0.002 . 1 . . . . 121 LYS HN . 17641 1 854 . 1 1 121 121 LYS HA H 1 4.414 0.002 . 1 . . . . 121 LYS HA . 17641 1 855 . 1 1 121 121 LYS HB2 H 1 1.895 0.002 . 2 . . . . 121 LYS HB2 . 17641 1 856 . 1 1 121 121 LYS HB3 H 1 1.773 0.002 . 2 . . . . 121 LYS HB3 . 17641 1 857 . 1 1 121 121 LYS CA C 13 56.513 0.020 . 1 . . . . 121 LYS CA . 17641 1 858 . 1 1 121 121 LYS CB C 13 33.229 0.020 . 1 . . . . 121 LYS CB . 17641 1 859 . 1 1 121 121 LYS N N 15 122.987 0.020 . 1 . . . . 121 LYS N . 17641 1 860 . 1 1 122 122 SER H H 1 8.190 0.002 . 1 . . . . 122 SER HN . 17641 1 861 . 1 1 122 122 SER HA H 1 4.476 0.002 . 1 . . . . 122 SER HA . 17641 1 862 . 1 1 122 122 SER HB2 H 1 3.875 0.002 . 2 . . . . 122 SER QB . 17641 1 863 . 1 1 122 122 SER HB3 H 1 3.875 0.002 . 2 . . . . 122 SER QB . 17641 1 864 . 1 1 122 122 SER CA C 13 58.511 0.020 . 1 . . . . 122 SER CA . 17641 1 865 . 1 1 122 122 SER CB C 13 64.219 0.020 . 1 . . . . 122 SER CB . 17641 1 866 . 1 1 122 122 SER N N 15 117.166 0.020 . 1 . . . . 122 SER N . 17641 1 867 . 1 1 123 123 GLN H H 1 7.846 0.002 . 1 . . . . 123 GLN HN . 17641 1 868 . 1 1 123 123 GLN HA H 1 4.207 0.002 . 1 . . . . 123 GLN HA . 17641 1 869 . 1 1 123 123 GLN HB2 H 1 2.114 0.002 . 2 . . . . 123 GLN HB2 . 17641 1 870 . 1 1 123 123 GLN HB3 H 1 1.946 0.002 . 2 . . . . 123 GLN HB3 . 17641 1 871 . 1 1 123 123 GLN HG2 H 1 2.300 0.002 . 2 . . . . 123 GLN QG . 17641 1 872 . 1 1 123 123 GLN HG3 H 1 2.300 0.002 . 2 . . . . 123 GLN QG . 17641 1 873 . 1 1 123 123 GLN CA C 13 57.756 0.020 . 1 . . . . 123 GLN CA . 17641 1 874 . 1 1 123 123 GLN CB C 13 30.563 0.020 . 1 . . . . 123 GLN CB . 17641 1 875 . 1 1 123 123 GLN N N 15 126.667 0.020 . 1 . . . . 123 GLN N . 17641 1 stop_ save_