data_6356 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6356 _Entry.Title ; Yeast frataxin solution structure ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-10-14 _Entry.Accession_date 2004-10-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Y. He . . . 6356 2 S. Alam . A. . 6356 3 S. Proteasa . . . 6356 4 Y. Zhang . . . 6356 5 E. Lesuisse . . . 6356 6 A. Dancis . . . 6356 7 T. Stemmler . . . 6356 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6356 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 744 6356 '13C chemical shifts' 510 6356 '15N chemical shifts' 115 6356 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-07-22 2004-10-14 update BMRB 'update related entries' 6356 1 . . 2005-05-03 2004-10-14 original author 'original release' 6356 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2ga5 'Yfh1 298K solution structure' 6356 BMRB 17068 'Yfh1 272K chemical shift assignment' 6356 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6356 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15610019 _Citation.Full_citation . _Citation.Title 'Yeast frataxin solution structure, iron binding and ferrochelatase interaction' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 43 _Citation.Journal_issue 51 _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 16254 _Citation.Page_last 16262 _Citation.Year 2004 _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 Yanan He . . . 6356 1 2 Steve Alam . A. . 6356 1 3 Simona Proteasa . V. . 6356 1 4 Yan Zhang . . . 6356 1 5 Emmanual Lesuisse . . . 6356 1 6 Andy Dancis . . . 6356 1 7 Timothy Stemmler . L. . 6356 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Yfh1p 6356 1 NMR 6356 1 structure 6356 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Yfh1p _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Yfh1p _Assembly.Entry_ID 6356 _Assembly.ID 1 _Assembly.Name 'Yeast Frataxin homolog 1 protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6356 1 stop_ 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 'Yfh1 monomer' 1 $Yfh1_monomer . . . native . . . . . 6356 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 . PDB 1XAQ . . . . . . 6356 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Yeast Frataxin homolog 1 protein' system 6356 1 Yfh1p abbreviation 6356 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Yfh1_monomer _Entity.Sf_category entity _Entity.Sf_framecode Yfh1_monomer _Entity.Entry_ID 6356 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Saccharomyces cerevisiae' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MESSTDGQVVPQEVLNLPLE KYHEEADDYLDHLLDSLEEL SEAHPDCIPDVELSHGVMTL EIPAFGTYVINKQPPNKQIW LASPLSGPNRFDLLNGEWVS LRNGTKLTDILTEEVEKAIS KSQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13783 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17068 . Yeast_frataxin_(Yfh1) . . . . . 100.00 123 100.00 100.00 4.16e-83 . . . . 6356 1 2 no BMRB 17641 . Yfh1 . . . . . 100.00 123 100.00 100.00 4.16e-83 . . . . 6356 1 3 no PDB 2FQL . "Crystal Structure Of Trimeric Frataxin From The Yeast Saccharomyces Cerevisiae" . . . . . 100.00 123 98.37 99.19 3.32e-81 . . . . 6356 1 4 no PDB 2GA5 . "Yeast Frataxin" . . . . . 100.00 123 100.00 100.00 4.16e-83 . . . . 6356 1 5 no PDB 3OEQ . "Crystal Structure Of Trimeric Frataxin From The Yeast Saccharomyces Cerevisiae, With Full Length N-Terminus" . . . . . 100.00 123 98.37 99.19 3.32e-81 . . . . 6356 1 6 no PDB 3OER . "Crystal Structure Of Trimeric Frataxin From The Yeast Saccharomyces Cerevisiae, Complexed With Cobalt" . . . . . 100.00 123 98.37 99.19 3.32e-81 . . . . 6356 1 7 no PDB 4EC2 . "Crystal Structure Of Trimeric Frataxin From The Yeast Saccharomyces Cerevisiae, Complexed With Ferrous" . . . . . 100.00 123 98.37 99.19 3.32e-81 . . . . 6356 1 8 no DBJ GAA22128 . "K7_Yfh1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 174 99.19 100.00 2.90e-83 . . . . 6356 1 9 no EMBL CAA98688 . "YFH1 [Saccharomyces cerevisiae]" . . . . . 100.00 174 99.19 100.00 2.90e-83 . . . . 6356 1 10 no EMBL CAY78388 . "Yfh1p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 174 99.19 100.00 2.90e-83 . . . . 6356 1 11 no GB AAS56486 . "YDL120W [Saccharomyces cerevisiae]" . . . . . 100.00 174 99.19 100.00 2.90e-83 . . . . 6356 1 12 no GB AHY74893 . "Yfh1p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 174 99.19 100.00 2.90e-83 . . . . 6356 1 13 no GB EDN60240 . "conserved protein [Saccharomyces cerevisiae YJM789]" . . . . . 100.00 174 99.19 100.00 2.90e-83 . . . . 6356 1 14 no GB EDV08389 . "hypothetical protein SCRG_00614 [Saccharomyces cerevisiae RM11-1a]" . . . . . 100.00 174 99.19 100.00 2.90e-83 . . . . 6356 1 15 no GB EDZ73347 . "YDL120Wp-like protein [Saccharomyces cerevisiae AWRI1631]" . . . . . 100.00 174 99.19 100.00 2.90e-83 . . . . 6356 1 16 no REF NP_010163 . "Yfh1p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 174 99.19 100.00 2.90e-83 . . . . 6356 1 17 no SP Q07540 . "RecName: Full=Frataxin homolog, mitochondrial; Contains: RecName: Full=Frataxin homolog intermediate form; Flags: Precursor [Sa" . . . . . 100.00 174 99.19 100.00 2.90e-83 . . . . 6356 1 18 no TPG DAA11740 . "TPA: Yfh1p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 174 99.19 100.00 2.90e-83 . . . . 6356 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Saccharomyces cerevisiae' common 6356 1 'S. cerevisiae' abbreviation 6356 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 . 6356 1 2 . GLU . 6356 1 3 . SER . 6356 1 4 . SER . 6356 1 5 . THR . 6356 1 6 . ASP . 6356 1 7 . GLY . 6356 1 8 . GLN . 6356 1 9 . VAL . 6356 1 10 . VAL . 6356 1 11 . PRO . 6356 1 12 . GLN . 6356 1 13 . GLU . 6356 1 14 . VAL . 6356 1 15 . LEU . 6356 1 16 . ASN . 6356 1 17 . LEU . 6356 1 18 . PRO . 6356 1 19 . LEU . 6356 1 20 . GLU . 6356 1 21 . LYS . 6356 1 22 . TYR . 6356 1 23 . HIS . 6356 1 24 . GLU . 6356 1 25 . GLU . 6356 1 26 . ALA . 6356 1 27 . ASP . 6356 1 28 . ASP . 6356 1 29 . TYR . 6356 1 30 . LEU . 6356 1 31 . ASP . 6356 1 32 . HIS . 6356 1 33 . LEU . 6356 1 34 . LEU . 6356 1 35 . ASP . 6356 1 36 . SER . 6356 1 37 . LEU . 6356 1 38 . GLU . 6356 1 39 . GLU . 6356 1 40 . LEU . 6356 1 41 . SER . 6356 1 42 . GLU . 6356 1 43 . ALA . 6356 1 44 . HIS . 6356 1 45 . PRO . 6356 1 46 . ASP . 6356 1 47 . CYS . 6356 1 48 . ILE . 6356 1 49 . PRO . 6356 1 50 . ASP . 6356 1 51 . VAL . 6356 1 52 . GLU . 6356 1 53 . LEU . 6356 1 54 . SER . 6356 1 55 . HIS . 6356 1 56 . GLY . 6356 1 57 . VAL . 6356 1 58 . MET . 6356 1 59 . THR . 6356 1 60 . LEU . 6356 1 61 . GLU . 6356 1 62 . ILE . 6356 1 63 . PRO . 6356 1 64 . ALA . 6356 1 65 . PHE . 6356 1 66 . GLY . 6356 1 67 . THR . 6356 1 68 . TYR . 6356 1 69 . VAL . 6356 1 70 . ILE . 6356 1 71 . ASN . 6356 1 72 . LYS . 6356 1 73 . GLN . 6356 1 74 . PRO . 6356 1 75 . PRO . 6356 1 76 . ASN . 6356 1 77 . LYS . 6356 1 78 . GLN . 6356 1 79 . ILE . 6356 1 80 . TRP . 6356 1 81 . LEU . 6356 1 82 . ALA . 6356 1 83 . SER . 6356 1 84 . PRO . 6356 1 85 . LEU . 6356 1 86 . SER . 6356 1 87 . GLY . 6356 1 88 . PRO . 6356 1 89 . ASN . 6356 1 90 . ARG . 6356 1 91 . PHE . 6356 1 92 . ASP . 6356 1 93 . LEU . 6356 1 94 . LEU . 6356 1 95 . ASN . 6356 1 96 . GLY . 6356 1 97 . GLU . 6356 1 98 . TRP . 6356 1 99 . VAL . 6356 1 100 . SER . 6356 1 101 . LEU . 6356 1 102 . ARG . 6356 1 103 . ASN . 6356 1 104 . GLY . 6356 1 105 . THR . 6356 1 106 . LYS . 6356 1 107 . LEU . 6356 1 108 . THR . 6356 1 109 . ASP . 6356 1 110 . ILE . 6356 1 111 . LEU . 6356 1 112 . THR . 6356 1 113 . GLU . 6356 1 114 . GLU . 6356 1 115 . VAL . 6356 1 116 . GLU . 6356 1 117 . LYS . 6356 1 118 . ALA . 6356 1 119 . ILE . 6356 1 120 . SER . 6356 1 121 . LYS . 6356 1 122 . SER . 6356 1 123 . GLN . 6356 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 6356 1 . GLU 2 2 6356 1 . SER 3 3 6356 1 . SER 4 4 6356 1 . THR 5 5 6356 1 . ASP 6 6 6356 1 . GLY 7 7 6356 1 . GLN 8 8 6356 1 . VAL 9 9 6356 1 . VAL 10 10 6356 1 . PRO 11 11 6356 1 . GLN 12 12 6356 1 . GLU 13 13 6356 1 . VAL 14 14 6356 1 . LEU 15 15 6356 1 . ASN 16 16 6356 1 . LEU 17 17 6356 1 . PRO 18 18 6356 1 . LEU 19 19 6356 1 . GLU 20 20 6356 1 . LYS 21 21 6356 1 . TYR 22 22 6356 1 . HIS 23 23 6356 1 . GLU 24 24 6356 1 . GLU 25 25 6356 1 . ALA 26 26 6356 1 . ASP 27 27 6356 1 . ASP 28 28 6356 1 . TYR 29 29 6356 1 . LEU 30 30 6356 1 . ASP 31 31 6356 1 . HIS 32 32 6356 1 . LEU 33 33 6356 1 . LEU 34 34 6356 1 . ASP 35 35 6356 1 . SER 36 36 6356 1 . LEU 37 37 6356 1 . GLU 38 38 6356 1 . GLU 39 39 6356 1 . LEU 40 40 6356 1 . SER 41 41 6356 1 . GLU 42 42 6356 1 . ALA 43 43 6356 1 . HIS 44 44 6356 1 . PRO 45 45 6356 1 . ASP 46 46 6356 1 . CYS 47 47 6356 1 . ILE 48 48 6356 1 . PRO 49 49 6356 1 . ASP 50 50 6356 1 . VAL 51 51 6356 1 . GLU 52 52 6356 1 . LEU 53 53 6356 1 . SER 54 54 6356 1 . HIS 55 55 6356 1 . GLY 56 56 6356 1 . VAL 57 57 6356 1 . MET 58 58 6356 1 . THR 59 59 6356 1 . LEU 60 60 6356 1 . GLU 61 61 6356 1 . ILE 62 62 6356 1 . PRO 63 63 6356 1 . ALA 64 64 6356 1 . PHE 65 65 6356 1 . GLY 66 66 6356 1 . THR 67 67 6356 1 . TYR 68 68 6356 1 . VAL 69 69 6356 1 . ILE 70 70 6356 1 . ASN 71 71 6356 1 . LYS 72 72 6356 1 . GLN 73 73 6356 1 . PRO 74 74 6356 1 . PRO 75 75 6356 1 . ASN 76 76 6356 1 . LYS 77 77 6356 1 . GLN 78 78 6356 1 . ILE 79 79 6356 1 . TRP 80 80 6356 1 . LEU 81 81 6356 1 . ALA 82 82 6356 1 . SER 83 83 6356 1 . PRO 84 84 6356 1 . LEU 85 85 6356 1 . SER 86 86 6356 1 . GLY 87 87 6356 1 . PRO 88 88 6356 1 . ASN 89 89 6356 1 . ARG 90 90 6356 1 . PHE 91 91 6356 1 . ASP 92 92 6356 1 . LEU 93 93 6356 1 . LEU 94 94 6356 1 . ASN 95 95 6356 1 . GLY 96 96 6356 1 . GLU 97 97 6356 1 . TRP 98 98 6356 1 . VAL 99 99 6356 1 . SER 100 100 6356 1 . LEU 101 101 6356 1 . ARG 102 102 6356 1 . ASN 103 103 6356 1 . GLY 104 104 6356 1 . THR 105 105 6356 1 . LYS 106 106 6356 1 . LEU 107 107 6356 1 . THR 108 108 6356 1 . ASP 109 109 6356 1 . ILE 110 110 6356 1 . LEU 111 111 6356 1 . THR 112 112 6356 1 . GLU 113 113 6356 1 . GLU 114 114 6356 1 . VAL 115 115 6356 1 . GLU 116 116 6356 1 . LYS 117 117 6356 1 . ALA 118 118 6356 1 . ILE 119 119 6356 1 . SER 120 120 6356 1 . LYS 121 121 6356 1 . SER 122 122 6356 1 . GLN 123 123 6356 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 6356 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Yfh1_monomer . 4932 . . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 6356 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 6356 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Yfh1_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6356 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6356 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Saccharomyces cerevisiae' . . . 1 $Yfh1_monomer . . 1 . . mM . . . . 6356 1 2 'sodium phosphate buffer' . . . . . . . 5 . . mM . . . . 6356 1 3 DTT . . . . . . . 2 . . mM . . . . 6356 1 4 H2O . . . . . . . 90 . . % . . . . 6356 1 5 D2O . . . . . . . 10 . . % . . . . 6356 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6356 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 0.1 n/a 6356 1 temperature 298 0.05 K 6356 1 'ionic strength' 25 . mM 6356 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 6356 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1 _Software.Details 'Varian company' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6356 1 stop_ save_ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 6356 _Software.ID 2 _Software.Name FELIX _Software.Version 950 _Software.Details 'MSI company' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6356 2 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 6356 _Software.ID 3 _Software.Name DYANA _Software.Version 1.5 _Software.Details 'P. Guntert et al' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6356 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 6356 _Software.ID 4 _Software.Name CNS _Software.Version 1.1 _Software.Details 'A. T. Brunger et al' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6356 4 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 6356 _Software.ID 5 _Software.Name XEASY _Software.Version 1.3.13 _Software.Details 'C. H. Bartels et al' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6356 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6356 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6356 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 720 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6356 _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 NMR_spectrometer_1 Varian INOVA . 600 . . . 6356 1 2 NMR_spectrometer_2 Varian INOVA . 720 . . . 6356 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 6356 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6356 1 2 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6356 1 3 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6356 1 4 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6356 1 5 HCCONH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6356 1 6 CCONH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6356 1 7 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6356 1 8 '2D-1H/1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6356 1 9 '3D 15N-seperated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6356 1 10 '3D 13C-seperated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6356 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6356 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6356 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6356 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6356 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6356 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HCCONH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6356 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CCONH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6356 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6356 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '2D-1H/1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6356 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D 15N-seperated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6356 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D 13C-seperated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6356 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6356 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6356 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6356 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6356 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6356 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.233 0.009 . . . . . . . . . . 6356 1 2 . 1 1 1 1 MET CA C 13 56.011 0.385 . . . . . . . . . . 6356 1 3 . 1 1 1 1 MET HA H 1 4.311 0.036 . . . . . . . . . . 6356 1 4 . 1 1 1 1 MET CB C 13 29.990 0.363 . . . . . . . . . . 6356 1 5 . 1 1 1 1 MET HB2 H 1 2.060 0.028 . . . . . . . . . . 6356 1 6 . 1 1 1 1 MET CG C 13 36.149 0.209 . . . . . . . . . . 6356 1 7 . 1 1 1 1 MET HG2 H 1 2.321 0.098 . . . . . . . . . . 6356 1 8 . 1 1 1 1 MET C C 13 176.070 0.000 . . . . . . . . . . 6356 1 9 . 1 1 2 2 GLU N N 15 123.400 0.202 . . . . . . . . . . 6356 1 10 . 1 1 2 2 GLU H H 1 8.495 0.009 . . . . . . . . . . 6356 1 11 . 1 1 2 2 GLU CA C 13 56.476 0.177 . . . . . . . . . . 6356 1 12 . 1 1 2 2 GLU HA H 1 4.271 0.033 . . . . . . . . . . 6356 1 13 . 1 1 2 2 GLU CB C 13 30.570 0.159 . . . . . . . . . . 6356 1 14 . 1 1 2 2 GLU HB2 H 1 2.084 0.058 . . . . . . . . . . 6356 1 15 . 1 1 2 2 GLU HB3 H 1 1.957 0.045 . . . . . . . . . . 6356 1 16 . 1 1 2 2 GLU CG C 13 36.212 0.040 . . . . . . . . . . 6356 1 17 . 1 1 2 2 GLU HG2 H 1 2.329 0.031 . . . . . . . . . . 6356 1 18 . 1 1 2 2 GLU C C 13 176.301 0.000 . . . . . . . . . . 6356 1 19 . 1 1 3 3 SER N N 15 118.446 0.043 . . . . . . . . . . 6356 1 20 . 1 1 3 3 SER H H 1 8.485 0.036 . . . . . . . . . . 6356 1 21 . 1 1 3 3 SER CA C 13 58.040 0.321 . . . . . . . . . . 6356 1 22 . 1 1 3 3 SER HA H 1 4.314 0.084 . . . . . . . . . . 6356 1 23 . 1 1 3 3 SER CB C 13 63.953 0.225 . . . . . . . . . . 6356 1 24 . 1 1 3 3 SER HB2 H 1 3.975 0.040 . . . . . . . . . . 6356 1 25 . 1 1 3 3 SER C C 13 179.682 0.000 . . . . . . . . . . 6356 1 26 . 1 1 4 4 SER N N 15 118.956 0.164 . . . . . . . . . . 6356 1 27 . 1 1 4 4 SER H H 1 8.460 0.011 . . . . . . . . . . 6356 1 28 . 1 1 4 4 SER CA C 13 58.444 0.034 . . . . . . . . . . 6356 1 29 . 1 1 4 4 SER HA H 1 4.525 0.065 . . . . . . . . . . 6356 1 30 . 1 1 4 4 SER CB C 13 63.634 0.373 . . . . . . . . . . 6356 1 31 . 1 1 4 4 SER HB2 H 1 3.947 0.048 . . . . . . . . . . 6356 1 32 . 1 1 4 4 SER C C 13 177.560 0.000 . . . . . . . . . . 6356 1 33 . 1 1 5 5 THR N N 15 116.449 0.077 . . . . . . . . . . 6356 1 34 . 1 1 5 5 THR H H 1 8.280 0.015 . . . . . . . . . . 6356 1 35 . 1 1 5 5 THR CA C 13 61.662 0.178 . . . . . . . . . . 6356 1 36 . 1 1 5 5 THR HA H 1 4.402 0.047 . . . . . . . . . . 6356 1 37 . 1 1 5 5 THR CB C 13 69.733 0.190 . . . . . . . . . . 6356 1 38 . 1 1 5 5 THR HB H 1 4.104 0.069 . . . . . . . . . . 6356 1 39 . 1 1 5 5 THR HG21 H 1 1.280 0.026 . . . . . . . . . . 6356 1 40 . 1 1 5 5 THR HG22 H 1 1.280 0.026 . . . . . . . . . . 6356 1 41 . 1 1 5 5 THR HG23 H 1 1.280 0.026 . . . . . . . . . . 6356 1 42 . 1 1 5 5 THR CG2 C 13 22.020 0.372 . . . . . . . . . . 6356 1 43 . 1 1 5 5 THR C C 13 176.843 0.000 . . . . . . . . . . 6356 1 44 . 1 1 6 6 ASP N N 15 123.800 0.227 . . . . . . . . . . 6356 1 45 . 1 1 6 6 ASP H H 1 8.265 0.011 . . . . . . . . . . 6356 1 46 . 1 1 6 6 ASP CA C 13 54.668 0.112 . . . . . . . . . . 6356 1 47 . 1 1 6 6 ASP HA H 1 4.598 0.049 . . . . . . . . . . 6356 1 48 . 1 1 6 6 ASP CB C 13 41.291 0.254 . . . . . . . . . . 6356 1 49 . 1 1 6 6 ASP HB2 H 1 2.712 0.051 . . . . . . . . . . 6356 1 50 . 1 1 6 6 ASP C C 13 176.851 0.000 . . . . . . . . . . 6356 1 51 . 1 1 7 7 GLY N N 15 110.480 0.005 . . . . . . . . . . 6356 1 52 . 1 1 7 7 GLY H H 1 8.333 0.008 . . . . . . . . . . 6356 1 53 . 1 1 7 7 GLY CA C 13 45.538 0.019 . . . . . . . . . . 6356 1 54 . 1 1 7 7 GLY HA2 H 1 3.944 0.017 . . . . . . . . . . 6356 1 55 . 1 1 7 7 GLY HA3 H 1 3.213 0.007 . . . . . . . . . . 6356 1 56 . 1 1 7 7 GLY C C 13 176.412 0.000 . . . . . . . . . . 6356 1 57 . 1 1 8 8 GLN N N 15 120.974 0.031 . . . . . . . . . . 6356 1 58 . 1 1 8 8 GLN H H 1 8.133 0.010 . . . . . . . . . . 6356 1 59 . 1 1 8 8 GLN CA C 13 55.854 0.308 . . . . . . . . . . 6356 1 60 . 1 1 8 8 GLN HA H 1 4.350 0.016 . . . . . . . . . . 6356 1 61 . 1 1 8 8 GLN CB C 13 29.976 0.230 . . . . . . . . . . 6356 1 62 . 1 1 8 8 GLN HB2 H 1 2.107 0.045 . . . . . . . . . . 6356 1 63 . 1 1 8 8 GLN HB3 H 1 1.965 0.051 . . . . . . . . . . 6356 1 64 . 1 1 8 8 GLN CG C 13 33.902 0.015 . . . . . . . . . . 6356 1 65 . 1 1 8 8 GLN HG2 H 1 2.392 0.078 . . . . . . . . . . 6356 1 66 . 1 1 8 8 GLN HG3 H 1 2.352 0.038 . . . . . . . . . . 6356 1 67 . 1 1 8 8 GLN C C 13 175.874 0.000 . . . . . . . . . . 6356 1 68 . 1 1 9 9 VAL N N 15 123.554 0.052 . . . . . . . . . . 6356 1 69 . 1 1 9 9 VAL H H 1 8.224 0.007 . . . . . . . . . . 6356 1 70 . 1 1 9 9 VAL CA C 13 62.499 0.235 . . . . . . . . . . 6356 1 71 . 1 1 9 9 VAL HA H 1 4.139 0.036 . . . . . . . . . . 6356 1 72 . 1 1 9 9 VAL CB C 13 32.598 0.307 . . . . . . . . . . 6356 1 73 . 1 1 9 9 VAL HB H 1 2.103 0.054 . . . . . . . . . . 6356 1 74 . 1 1 9 9 VAL HG11 H 1 1.021 0.025 . . . . . . . . . . 6356 1 75 . 1 1 9 9 VAL HG12 H 1 1.021 0.025 . . . . . . . . . . 6356 1 76 . 1 1 9 9 VAL HG13 H 1 1.021 0.025 . . . . . . . . . . 6356 1 77 . 1 1 9 9 VAL HG21 H 1 0.944 0.022 . . . . . . . . . . 6356 1 78 . 1 1 9 9 VAL HG22 H 1 0.944 0.022 . . . . . . . . . . 6356 1 79 . 1 1 9 9 VAL HG23 H 1 0.944 0.022 . . . . . . . . . . 6356 1 80 . 1 1 9 9 VAL CG1 C 13 21.424 0.278 . . . . . . . . . . 6356 1 81 . 1 1 9 9 VAL CG2 C 13 20.552 0.240 . . . . . . . . . . 6356 1 82 . 1 1 9 9 VAL C C 13 174.902 0.000 . . . . . . . . . . 6356 1 83 . 1 1 10 10 VAL N N 15 124.132 0.134 . . . . . . . . . . 6356 1 84 . 1 1 10 10 VAL H H 1 7.954 0.012 . . . . . . . . . . 6356 1 85 . 1 1 10 10 VAL CA C 13 58.836 0.136 . . . . . . . . . . 6356 1 86 . 1 1 10 10 VAL HA H 1 4.193 0.250 . . . . . . . . . . 6356 1 87 . 1 1 10 10 VAL CB C 13 33.604 0.538 . . . . . . . . . . 6356 1 88 . 1 1 10 10 VAL HB H 1 2.071 0.051 . . . . . . . . . . 6356 1 89 . 1 1 10 10 VAL HG11 H 1 0.990 0.045 . . . . . . . . . . 6356 1 90 . 1 1 10 10 VAL HG12 H 1 0.990 0.045 . . . . . . . . . . 6356 1 91 . 1 1 10 10 VAL HG13 H 1 0.990 0.045 . . . . . . . . . . 6356 1 92 . 1 1 10 10 VAL HG21 H 1 0.901 0.069 . . . . . . . . . . 6356 1 93 . 1 1 10 10 VAL HG22 H 1 0.901 0.069 . . . . . . . . . . 6356 1 94 . 1 1 10 10 VAL HG23 H 1 0.901 0.069 . . . . . . . . . . 6356 1 95 . 1 1 10 10 VAL CG1 C 13 21.559 0.208 . . . . . . . . . . 6356 1 96 . 1 1 10 10 VAL CG2 C 13 20.831 0.000 . . . . . . . . . . 6356 1 97 . 1 1 11 11 PRO CD C 13 50.800 0.172 . . . . . . . . . . 6356 1 98 . 1 1 11 11 PRO CA C 13 63.091 0.036 . . . . . . . . . . 6356 1 99 . 1 1 11 11 PRO HA H 1 4.483 0.016 . . . . . . . . . . 6356 1 100 . 1 1 11 11 PRO CB C 13 32.431 0.087 . . . . . . . . . . 6356 1 101 . 1 1 11 11 PRO HB2 H 1 2.432 0.050 . . . . . . . . . . 6356 1 102 . 1 1 11 11 PRO CG C 13 26.922 0.409 . . . . . . . . . . 6356 1 103 . 1 1 11 11 PRO HG2 H 1 2.096 0.028 . . . . . . . . . . 6356 1 104 . 1 1 11 11 PRO HG3 H 1 1.976 0.039 . . . . . . . . . . 6356 1 105 . 1 1 11 11 PRO HD2 H 1 3.922 0.044 . . . . . . . . . . 6356 1 106 . 1 1 11 11 PRO HD3 H 1 3.707 0.035 . . . . . . . . . . 6356 1 107 . 1 1 11 11 PRO C C 13 177.560 0.000 . . . . . . . . . . 6356 1 108 . 1 1 12 12 GLN N N 15 124.478 0.078 . . . . . . . . . . 6356 1 109 . 1 1 12 12 GLN H H 1 8.812 0.007 . . . . . . . . . . 6356 1 110 . 1 1 12 12 GLN CA C 13 58.113 0.084 . . . . . . . . . . 6356 1 111 . 1 1 12 12 GLN HA H 1 4.016 0.034 . . . . . . . . . . 6356 1 112 . 1 1 12 12 GLN CB C 13 28.940 0.177 . . . . . . . . . . 6356 1 113 . 1 1 12 12 GLN HB2 H 1 2.091 0.019 . . . . . . . . . . 6356 1 114 . 1 1 12 12 GLN CG C 13 33.761 0.000 . . . . . . . . . . 6356 1 115 . 1 1 12 12 GLN HG2 H 1 2.449 0.026 . . . . . . . . . . 6356 1 116 . 1 1 12 12 GLN C C 13 176.895 0.000 . . . . . . . . . . 6356 1 117 . 1 1 13 13 GLU N N 15 119.645 0.028 . . . . . . . . . . 6356 1 118 . 1 1 13 13 GLU H H 1 9.114 0.015 . . . . . . . . . . 6356 1 119 . 1 1 13 13 GLU CA C 13 58.629 0.078 . . . . . . . . . . 6356 1 120 . 1 1 13 13 GLU HA H 1 4.145 0.016 . . . . . . . . . . 6356 1 121 . 1 1 13 13 GLU CB C 13 29.631 0.078 . . . . . . . . . . 6356 1 122 . 1 1 13 13 GLU HB2 H 1 2.049 0.052 . . . . . . . . . . 6356 1 123 . 1 1 13 13 GLU CG C 13 36.700 0.266 . . . . . . . . . . 6356 1 124 . 1 1 13 13 GLU HG2 H 1 2.330 0.013 . . . . . . . . . . 6356 1 125 . 1 1 13 13 GLU C C 13 177.927 0.000 . . . . . . . . . . 6356 1 126 . 1 1 14 14 VAL N N 15 121.211 0.024 . . . . . . . . . . 6356 1 127 . 1 1 14 14 VAL H H 1 7.615 0.015 . . . . . . . . . . 6356 1 128 . 1 1 14 14 VAL CA C 13 64.225 0.183 . . . . . . . . . . 6356 1 129 . 1 1 14 14 VAL HA H 1 4.033 0.027 . . . . . . . . . . 6356 1 130 . 1 1 14 14 VAL CB C 13 32.627 0.431 . . . . . . . . . . 6356 1 131 . 1 1 14 14 VAL HB H 1 2.134 0.022 . . . . . . . . . . 6356 1 132 . 1 1 14 14 VAL HG11 H 1 1.029 0.024 . . . . . . . . . . 6356 1 133 . 1 1 14 14 VAL HG12 H 1 1.029 0.024 . . . . . . . . . . 6356 1 134 . 1 1 14 14 VAL HG13 H 1 1.029 0.024 . . . . . . . . . . 6356 1 135 . 1 1 14 14 VAL HG21 H 1 0.987 0.019 . . . . . . . . . . 6356 1 136 . 1 1 14 14 VAL HG22 H 1 0.987 0.019 . . . . . . . . . . 6356 1 137 . 1 1 14 14 VAL HG23 H 1 0.987 0.019 . . . . . . . . . . 6356 1 138 . 1 1 14 14 VAL CG1 C 13 21.513 0.159 . . . . . . . . . . 6356 1 139 . 1 1 14 14 VAL CG2 C 13 21.171 0.077 . . . . . . . . . . 6356 1 140 . 1 1 14 14 VAL C C 13 177.507 0.000 . . . . . . . . . . 6356 1 141 . 1 1 15 15 LEU N N 15 123.862 0.026 . . . . . . . . . . 6356 1 142 . 1 1 15 15 LEU H H 1 7.845 0.012 . . . . . . . . . . 6356 1 143 . 1 1 15 15 LEU CA C 13 56.829 0.096 . . . . . . . . . . 6356 1 144 . 1 1 15 15 LEU HA H 1 4.239 0.112 . . . . . . . . . . 6356 1 145 . 1 1 15 15 LEU CB C 13 42.051 0.196 . . . . . . . . . . 6356 1 146 . 1 1 15 15 LEU HB2 H 1 1.712 0.031 . . . . . . . . . . 6356 1 147 . 1 1 15 15 LEU HB3 H 1 1.561 0.024 . . . . . . . . . . 6356 1 148 . 1 1 15 15 LEU CG C 13 26.738 0.002 . . . . . . . . . . 6356 1 149 . 1 1 15 15 LEU HG H 1 1.640 0.030 . . . . . . . . . . 6356 1 150 . 1 1 15 15 LEU HD11 H 1 1.001 0.019 . . . . . . . . . . 6356 1 151 . 1 1 15 15 LEU HD12 H 1 1.001 0.019 . . . . . . . . . . 6356 1 152 . 1 1 15 15 LEU HD13 H 1 1.001 0.019 . . . . . . . . . . 6356 1 153 . 1 1 15 15 LEU HD21 H 1 0.888 0.028 . . . . . . . . . . 6356 1 154 . 1 1 15 15 LEU HD22 H 1 0.888 0.028 . . . . . . . . . . 6356 1 155 . 1 1 15 15 LEU HD23 H 1 0.888 0.028 . . . . . . . . . . 6356 1 156 . 1 1 15 15 LEU CD1 C 13 25.324 0.194 . . . . . . . . . . 6356 1 157 . 1 1 15 15 LEU CD2 C 13 23.392 0.076 . . . . . . . . . . 6356 1 158 . 1 1 15 15 LEU C C 13 177.552 0.000 . . . . . . . . . . 6356 1 159 . 1 1 16 16 ASN N N 15 116.827 0.000 . . . . . . . . . . 6356 1 160 . 1 1 16 16 ASN H H 1 8.176 0.010 . . . . . . . . . . 6356 1 161 . 1 1 16 16 ASN CA C 13 53.145 0.219 . . . . . . . . . . 6356 1 162 . 1 1 16 16 ASN HA H 1 4.541 0.128 . . . . . . . . . . 6356 1 163 . 1 1 16 16 ASN CB C 13 38.788 0.080 . . . . . . . . . . 6356 1 164 . 1 1 16 16 ASN HB2 H 1 2.923 0.008 . . . . . . . . . . 6356 1 165 . 1 1 16 16 ASN HB3 H 1 2.723 0.018 . . . . . . . . . . 6356 1 166 . 1 1 16 16 ASN C C 13 174.797 0.000 . . . . . . . . . . 6356 1 167 . 1 1 17 17 LEU N N 15 126.579 0.019 . . . . . . . . . . 6356 1 168 . 1 1 17 17 LEU H H 1 7.510 0.013 . . . . . . . . . . 6356 1 169 . 1 1 17 17 LEU CA C 13 53.200 0.331 . . . . . . . . . . 6356 1 170 . 1 1 17 17 LEU HA H 1 4.551 0.111 . . . . . . . . . . 6356 1 171 . 1 1 17 17 LEU CB C 13 42.906 0.018 . . . . . . . . . . 6356 1 172 . 1 1 17 17 LEU HB2 H 1 1.842 0.130 . . . . . . . . . . 6356 1 173 . 1 1 17 17 LEU CG C 13 26.957 0.101 . . . . . . . . . . 6356 1 174 . 1 1 17 17 LEU HG H 1 1.632 0.020 . . . . . . . . . . 6356 1 175 . 1 1 17 17 LEU HD11 H 1 0.998 0.033 . . . . . . . . . . 6356 1 176 . 1 1 17 17 LEU HD12 H 1 0.998 0.033 . . . . . . . . . . 6356 1 177 . 1 1 17 17 LEU HD13 H 1 0.998 0.033 . . . . . . . . . . 6356 1 178 . 1 1 17 17 LEU HD21 H 1 0.913 0.045 . . . . . . . . . . 6356 1 179 . 1 1 17 17 LEU HD22 H 1 0.913 0.045 . . . . . . . . . . 6356 1 180 . 1 1 17 17 LEU HD23 H 1 0.913 0.045 . . . . . . . . . . 6356 1 181 . 1 1 17 17 LEU CD1 C 13 25.461 0.311 . . . . . . . . . . 6356 1 182 . 1 1 17 17 LEU CD2 C 13 24.737 0.174 . . . . . . . . . . 6356 1 183 . 1 1 18 18 PRO CD C 13 50.709 0.328 . . . . . . . . . . 6356 1 184 . 1 1 18 18 PRO CA C 13 62.972 0.121 . . . . . . . . . . 6356 1 185 . 1 1 18 18 PRO HA H 1 4.556 0.074 . . . . . . . . . . 6356 1 186 . 1 1 18 18 PRO CB C 13 32.442 0.391 . . . . . . . . . . 6356 1 187 . 1 1 18 18 PRO HB2 H 1 2.518 0.116 . . . . . . . . . . 6356 1 188 . 1 1 18 18 PRO CG C 13 27.824 0.093 . . . . . . . . . . 6356 1 189 . 1 1 18 18 PRO HG2 H 1 2.180 0.023 . . . . . . . . . . 6356 1 190 . 1 1 18 18 PRO HG3 H 1 2.035 0.031 . . . . . . . . . . 6356 1 191 . 1 1 18 18 PRO HD2 H 1 3.863 0.057 . . . . . . . . . . 6356 1 192 . 1 1 18 18 PRO HD3 H 1 3.629 0.055 . . . . . . . . . . 6356 1 193 . 1 1 18 18 PRO C C 13 178.189 0.000 . . . . . . . . . . 6356 1 194 . 1 1 19 19 LEU N N 15 127.694 0.067 . . . . . . . . . . 6356 1 195 . 1 1 19 19 LEU H H 1 9.041 0.007 . . . . . . . . . . 6356 1 196 . 1 1 19 19 LEU CA C 13 58.153 0.349 . . . . . . . . . . 6356 1 197 . 1 1 19 19 LEU HA H 1 4.571 0.067 . . . . . . . . . . 6356 1 198 . 1 1 19 19 LEU CB C 13 42.206 0.079 . . . . . . . . . . 6356 1 199 . 1 1 19 19 LEU HB2 H 1 1.855 0.081 . . . . . . . . . . 6356 1 200 . 1 1 19 19 LEU HB3 H 1 1.689 0.093 . . . . . . . . . . 6356 1 201 . 1 1 19 19 LEU CG C 13 27.268 0.133 . . . . . . . . . . 6356 1 202 . 1 1 19 19 LEU HG H 1 1.644 0.077 . . . . . . . . . . 6356 1 203 . 1 1 19 19 LEU HD11 H 1 0.947 0.038 . . . . . . . . . . 6356 1 204 . 1 1 19 19 LEU HD12 H 1 0.947 0.038 . . . . . . . . . . 6356 1 205 . 1 1 19 19 LEU HD13 H 1 0.947 0.038 . . . . . . . . . . 6356 1 206 . 1 1 19 19 LEU HD21 H 1 0.868 0.045 . . . . . . . . . . 6356 1 207 . 1 1 19 19 LEU HD22 H 1 0.868 0.045 . . . . . . . . . . 6356 1 208 . 1 1 19 19 LEU HD23 H 1 0.868 0.045 . . . . . . . . . . 6356 1 209 . 1 1 19 19 LEU CD1 C 13 25.195 0.041 . . . . . . . . . . 6356 1 210 . 1 1 19 19 LEU CD2 C 13 23.638 0.035 . . . . . . . . . . 6356 1 211 . 1 1 19 19 LEU C C 13 178.171 0.000 . . . . . . . . . . 6356 1 212 . 1 1 20 20 GLU N N 15 117.338 0.048 . . . . . . . . . . 6356 1 213 . 1 1 20 20 GLU H H 1 9.578 0.018 . . . . . . . . . . 6356 1 214 . 1 1 20 20 GLU CA C 13 60.334 0.107 . . . . . . . . . . 6356 1 215 . 1 1 20 20 GLU HA H 1 4.312 0.041 . . . . . . . . . . 6356 1 216 . 1 1 20 20 GLU CB C 13 28.825 0.245 . . . . . . . . . . 6356 1 217 . 1 1 20 20 GLU HB2 H 1 2.102 0.040 . . . . . . . . . . 6356 1 218 . 1 1 20 20 GLU CG C 13 36.600 0.000 . . . . . . . . . . 6356 1 219 . 1 1 20 20 GLU HG2 H 1 2.422 0.046 . . . . . . . . . . 6356 1 220 . 1 1 20 20 GLU C C 13 179.081 0.000 . . . . . . . . . . 6356 1 221 . 1 1 21 21 LYS N N 15 121.330 0.024 . . . . . . . . . . 6356 1 222 . 1 1 21 21 LYS H H 1 6.988 0.026 . . . . . . . . . . 6356 1 223 . 1 1 21 21 LYS CA C 13 57.191 0.332 . . . . . . . . . . 6356 1 224 . 1 1 21 21 LYS HA H 1 4.381 0.021 . . . . . . . . . . 6356 1 225 . 1 1 21 21 LYS CB C 13 32.202 0.274 . . . . . . . . . . 6356 1 226 . 1 1 21 21 LYS HB2 H 1 2.023 0.029 . . . . . . . . . . 6356 1 227 . 1 1 21 21 LYS CG C 13 24.655 0.165 . . . . . . . . . . 6356 1 228 . 1 1 21 21 LYS HG2 H 1 1.469 0.052 . . . . . . . . . . 6356 1 229 . 1 1 21 21 LYS CD C 13 28.714 0.192 . . . . . . . . . . 6356 1 230 . 1 1 21 21 LYS HD2 H 1 1.696 0.019 . . . . . . . . . . 6356 1 231 . 1 1 21 21 LYS CE C 13 42.056 0.000 . . . . . . . . . . 6356 1 232 . 1 1 21 21 LYS HE2 H 1 2.928 0.125 . . . . . . . . . . 6356 1 233 . 1 1 21 21 LYS C C 13 177.734 0.000 . . . . . . . . . . 6356 1 234 . 1 1 22 22 TYR N N 15 120.464 0.010 . . . . . . . . . . 6356 1 235 . 1 1 22 22 TYR H H 1 8.244 0.012 . . . . . . . . . . 6356 1 236 . 1 1 22 22 TYR CA C 13 61.982 0.161 . . . . . . . . . . 6356 1 237 . 1 1 22 22 TYR HA H 1 4.043 0.011 . . . . . . . . . . 6356 1 238 . 1 1 22 22 TYR CB C 13 36.209 0.165 . . . . . . . . . . 6356 1 239 . 1 1 22 22 TYR HB2 H 1 3.387 0.046 . . . . . . . . . . 6356 1 240 . 1 1 22 22 TYR HB3 H 1 3.021 0.031 . . . . . . . . . . 6356 1 241 . 1 1 22 22 TYR CD1 C 13 133.045 0.000 . . . . . . . . . . 6356 1 242 . 1 1 22 22 TYR HD1 H 1 7.060 0.011 . . . . . . . . . . 6356 1 243 . 1 1 22 22 TYR CE1 C 13 120.461 0.000 . . . . . . . . . . 6356 1 244 . 1 1 22 22 TYR HE1 H 1 7.276 0.009 . . . . . . . . . . 6356 1 245 . 1 1 22 22 TYR CE2 C 13 117.897 0.000 . . . . . . . . . . 6356 1 246 . 1 1 22 22 TYR HE2 H 1 7.135 0.019 . . . . . . . . . . 6356 1 247 . 1 1 22 22 TYR CD2 C 13 128.151 0.000 . . . . . . . . . . 6356 1 248 . 1 1 22 22 TYR HD2 H 1 6.953 0.005 . . . . . . . . . . 6356 1 249 . 1 1 22 22 TYR C C 13 175.794 0.000 . . . . . . . . . . 6356 1 250 . 1 1 23 23 HIS N N 15 119.164 0.027 . . . . . . . . . . 6356 1 251 . 1 1 23 23 HIS H H 1 8.325 0.040 . . . . . . . . . . 6356 1 252 . 1 1 23 23 HIS CA C 13 61.382 0.136 . . . . . . . . . . 6356 1 253 . 1 1 23 23 HIS HA H 1 3.912 0.056 . . . . . . . . . . 6356 1 254 . 1 1 23 23 HIS CB C 13 30.875 0.179 . . . . . . . . . . 6356 1 255 . 1 1 23 23 HIS HB2 H 1 3.125 0.105 . . . . . . . . . . 6356 1 256 . 1 1 23 23 HIS HB3 H 1 2.720 0.077 . . . . . . . . . . 6356 1 257 . 1 1 23 23 HIS HD1 H 1 7.973 0.000 . . . . . . . . . . 6356 1 258 . 1 1 23 23 HIS HD2 H 1 7.808 0.000 . . . . . . . . . . 6356 1 259 . 1 1 23 23 HIS C C 13 177.052 0.000 . . . . . . . . . . 6356 1 260 . 1 1 24 24 GLU N N 15 118.675 0.006 . . . . . . . . . . 6356 1 261 . 1 1 24 24 GLU H H 1 7.550 0.013 . . . . . . . . . . 6356 1 262 . 1 1 24 24 GLU CA C 13 59.627 0.158 . . . . . . . . . . 6356 1 263 . 1 1 24 24 GLU HA H 1 4.161 0.111 . . . . . . . . . . 6356 1 264 . 1 1 24 24 GLU CB C 13 30.103 0.158 . . . . . . . . . . 6356 1 265 . 1 1 24 24 GLU HB2 H 1 2.190 0.051 . . . . . . . . . . 6356 1 266 . 1 1 24 24 GLU HB3 H 1 2.074 0.060 . . . . . . . . . . 6356 1 267 . 1 1 24 24 GLU CG C 13 36.245 0.000 . . . . . . . . . . 6356 1 268 . 1 1 24 24 GLU HG2 H 1 2.444 0.072 . . . . . . . . . . 6356 1 269 . 1 1 24 24 GLU C C 13 179.693 0.000 . . . . . . . . . . 6356 1 270 . 1 1 25 25 GLU N N 15 118.800 0.022 . . . . . . . . . . 6356 1 271 . 1 1 25 25 GLU H H 1 8.463 0.011 . . . . . . . . . . 6356 1 272 . 1 1 25 25 GLU CA C 13 59.054 0.199 . . . . . . . . . . 6356 1 273 . 1 1 25 25 GLU HA H 1 4.305 0.017 . . . . . . . . . . 6356 1 274 . 1 1 25 25 GLU CB C 13 30.169 0.302 . . . . . . . . . . 6356 1 275 . 1 1 25 25 GLU HB2 H 1 2.058 0.029 . . . . . . . . . . 6356 1 276 . 1 1 25 25 GLU CG C 13 36.049 0.001 . . . . . . . . . . 6356 1 277 . 1 1 25 25 GLU HG2 H 1 2.460 0.028 . . . . . . . . . . 6356 1 278 . 1 1 25 25 GLU HG3 H 1 2.279 0.043 . . . . . . . . . . 6356 1 279 . 1 1 25 25 GLU C C 13 180.112 0.000 . . . . . . . . . . 6356 1 280 . 1 1 26 26 ALA N N 15 125.057 0.012 . . . . . . . . . . 6356 1 281 . 1 1 26 26 ALA H H 1 9.202 0.012 . . . . . . . . . . 6356 1 282 . 1 1 26 26 ALA CA C 13 55.580 0.150 . . . . . . . . . . 6356 1 283 . 1 1 26 26 ALA HA H 1 3.877 0.016 . . . . . . . . . . 6356 1 284 . 1 1 26 26 ALA HB1 H 1 0.827 0.022 . . . . . . . . . . 6356 1 285 . 1 1 26 26 ALA HB2 H 1 0.827 0.022 . . . . . . . . . . 6356 1 286 . 1 1 26 26 ALA HB3 H 1 0.827 0.022 . . . . . . . . . . 6356 1 287 . 1 1 26 26 ALA CB C 13 17.806 0.063 . . . . . . . . . . 6356 1 288 . 1 1 26 26 ALA C C 13 178.539 0.000 . . . . . . . . . . 6356 1 289 . 1 1 27 27 ASP N N 15 119.521 0.012 . . . . . . . . . . 6356 1 290 . 1 1 27 27 ASP H H 1 8.693 0.021 . . . . . . . . . . 6356 1 291 . 1 1 27 27 ASP CA C 13 57.941 0.345 . . . . . . . . . . 6356 1 292 . 1 1 27 27 ASP HA H 1 4.336 0.060 . . . . . . . . . . 6356 1 293 . 1 1 27 27 ASP CB C 13 39.001 0.008 . . . . . . . . . . 6356 1 294 . 1 1 27 27 ASP HB2 H 1 2.877 0.034 . . . . . . . . . . 6356 1 295 . 1 1 27 27 ASP HB3 H 1 2.654 0.022 . . . . . . . . . . 6356 1 296 . 1 1 27 27 ASP C C 13 179.255 0.000 . . . . . . . . . . 6356 1 297 . 1 1 28 28 ASP N N 15 121.565 0.000 . . . . . . . . . . 6356 1 298 . 1 1 28 28 ASP H H 1 7.937 0.013 . . . . . . . . . . 6356 1 299 . 1 1 28 28 ASP CA C 13 57.833 0.158 . . . . . . . . . . 6356 1 300 . 1 1 28 28 ASP HA H 1 4.396 0.006 . . . . . . . . . . 6356 1 301 . 1 1 28 28 ASP CB C 13 41.939 0.104 . . . . . . . . . . 6356 1 302 . 1 1 28 28 ASP HB2 H 1 2.762 0.018 . . . . . . . . . . 6356 1 303 . 1 1 28 28 ASP C C 13 178.661 0.000 . . . . . . . . . . 6356 1 304 . 1 1 29 29 TYR N N 15 122.389 0.001 . . . . . . . . . . 6356 1 305 . 1 1 29 29 TYR H H 1 8.280 0.012 . . . . . . . . . . 6356 1 306 . 1 1 29 29 TYR CA C 13 62.027 0.269 . . . . . . . . . . 6356 1 307 . 1 1 29 29 TYR HA H 1 3.541 0.048 . . . . . . . . . . 6356 1 308 . 1 1 29 29 TYR CB C 13 38.543 0.083 . . . . . . . . . . 6356 1 309 . 1 1 29 29 TYR HB2 H 1 3.052 0.036 . . . . . . . . . . 6356 1 310 . 1 1 29 29 TYR HB3 H 1 2.904 0.017 . . . . . . . . . . 6356 1 311 . 1 1 29 29 TYR CD1 C 13 132.346 0.000 . . . . . . . . . . 6356 1 312 . 1 1 29 29 TYR HD1 H 1 7.099 0.019 . . . . . . . . . . 6356 1 313 . 1 1 29 29 TYR CE1 C 13 113.935 0.000 . . . . . . . . . . 6356 1 314 . 1 1 29 29 TYR HE1 H 1 7.346 0.030 . . . . . . . . . . 6356 1 315 . 1 1 29 29 TYR CE2 C 13 114.634 0.000 . . . . . . . . . . 6356 1 316 . 1 1 29 29 TYR HE2 H 1 7.086 0.005 . . . . . . . . . . 6356 1 317 . 1 1 29 29 TYR CD2 C 13 113.003 0.000 . . . . . . . . . . 6356 1 318 . 1 1 29 29 TYR HD2 H 1 6.804 0.003 . . . . . . . . . . 6356 1 319 . 1 1 29 29 TYR C C 13 178.539 0.000 . . . . . . . . . . 6356 1 320 . 1 1 30 30 LEU N N 15 120.642 0.075 . . . . . . . . . . 6356 1 321 . 1 1 30 30 LEU H H 1 8.608 0.014 . . . . . . . . . . 6356 1 322 . 1 1 30 30 LEU CA C 13 58.514 0.288 . . . . . . . . . . 6356 1 323 . 1 1 30 30 LEU HA H 1 4.075 0.136 . . . . . . . . . . 6356 1 324 . 1 1 30 30 LEU CB C 13 41.897 0.330 . . . . . . . . . . 6356 1 325 . 1 1 30 30 LEU HB2 H 1 1.649 0.035 . . . . . . . . . . 6356 1 326 . 1 1 30 30 LEU HB3 H 1 1.486 0.035 . . . . . . . . . . 6356 1 327 . 1 1 30 30 LEU CG C 13 26.742 0.019 . . . . . . . . . . 6356 1 328 . 1 1 30 30 LEU HG H 1 1.608 0.033 . . . . . . . . . . 6356 1 329 . 1 1 30 30 LEU HD11 H 1 0.985 0.030 . . . . . . . . . . 6356 1 330 . 1 1 30 30 LEU HD12 H 1 0.985 0.030 . . . . . . . . . . 6356 1 331 . 1 1 30 30 LEU HD13 H 1 0.985 0.030 . . . . . . . . . . 6356 1 332 . 1 1 30 30 LEU HD21 H 1 0.872 0.033 . . . . . . . . . . 6356 1 333 . 1 1 30 30 LEU HD22 H 1 0.872 0.033 . . . . . . . . . . 6356 1 334 . 1 1 30 30 LEU HD23 H 1 0.872 0.033 . . . . . . . . . . 6356 1 335 . 1 1 30 30 LEU CD1 C 13 24.879 0.020 . . . . . . . . . . 6356 1 336 . 1 1 30 30 LEU CD2 C 13 23.627 0.008 . . . . . . . . . . 6356 1 337 . 1 1 30 30 LEU C C 13 177.245 0.000 . . . . . . . . . . 6356 1 338 . 1 1 31 31 ASP N N 15 121.192 0.061 . . . . . . . . . . 6356 1 339 . 1 1 31 31 ASP H H 1 8.075 0.014 . . . . . . . . . . 6356 1 340 . 1 1 31 31 ASP CA C 13 57.641 0.041 . . . . . . . . . . 6356 1 341 . 1 1 31 31 ASP HA H 1 4.390 0.043 . . . . . . . . . . 6356 1 342 . 1 1 31 31 ASP CB C 13 40.675 0.072 . . . . . . . . . . 6356 1 343 . 1 1 31 31 ASP HB2 H 1 2.728 0.013 . . . . . . . . . . 6356 1 344 . 1 1 31 31 ASP HB3 H 1 2.541 0.025 . . . . . . . . . . 6356 1 345 . 1 1 31 31 ASP C C 13 179.116 0.000 . . . . . . . . . . 6356 1 346 . 1 1 32 32 HIS N N 15 118.544 0.028 . . . . . . . . . . 6356 1 347 . 1 1 32 32 HIS H H 1 7.748 0.029 . . . . . . . . . . 6356 1 348 . 1 1 32 32 HIS CA C 13 59.008 0.026 . . . . . . . . . . 6356 1 349 . 1 1 32 32 HIS HA H 1 4.364 0.015 . . . . . . . . . . 6356 1 350 . 1 1 32 32 HIS CB C 13 27.875 0.010 . . . . . . . . . . 6356 1 351 . 1 1 32 32 HIS HB2 H 1 3.222 0.021 . . . . . . . . . . 6356 1 352 . 1 1 32 32 HIS HD2 H 1 7.297 0.002 . . . . . . . . . . 6356 1 353 . 1 1 32 32 HIS C C 13 176.211 0.000 . . . . . . . . . . 6356 1 354 . 1 1 33 33 LEU N N 15 125.068 0.029 . . . . . . . . . . 6356 1 355 . 1 1 33 33 LEU H H 1 8.448 0.033 . . . . . . . . . . 6356 1 356 . 1 1 33 33 LEU CA C 13 57.555 0.180 . . . . . . . . . . 6356 1 357 . 1 1 33 33 LEU HA H 1 4.253 0.046 . . . . . . . . . . 6356 1 358 . 1 1 33 33 LEU CB C 13 41.949 0.195 . . . . . . . . . . 6356 1 359 . 1 1 33 33 LEU HB2 H 1 1.604 0.051 . . . . . . . . . . 6356 1 360 . 1 1 33 33 LEU CG C 13 26.737 0.000 . . . . . . . . . . 6356 1 361 . 1 1 33 33 LEU HG H 1 1.594 0.126 . . . . . . . . . . 6356 1 362 . 1 1 33 33 LEU HD11 H 1 0.930 0.053 . . . . . . . . . . 6356 1 363 . 1 1 33 33 LEU HD12 H 1 0.930 0.053 . . . . . . . . . . 6356 1 364 . 1 1 33 33 LEU HD13 H 1 0.930 0.053 . . . . . . . . . . 6356 1 365 . 1 1 33 33 LEU HD21 H 1 0.856 0.039 . . . . . . . . . . 6356 1 366 . 1 1 33 33 LEU HD22 H 1 0.856 0.039 . . . . . . . . . . 6356 1 367 . 1 1 33 33 LEU HD23 H 1 0.856 0.039 . . . . . . . . . . 6356 1 368 . 1 1 33 33 LEU CD1 C 13 24.949 0.199 . . . . . . . . . . 6356 1 369 . 1 1 33 33 LEU CD2 C 13 22.866 0.281 . . . . . . . . . . 6356 1 370 . 1 1 33 33 LEU C C 13 178.434 0.000 . . . . . . . . . . 6356 1 371 . 1 1 34 34 LEU N N 15 121.809 0.014 . . . . . . . . . . 6356 1 372 . 1 1 34 34 LEU H H 1 8.493 0.016 . . . . . . . . . . 6356 1 373 . 1 1 34 34 LEU CA C 13 58.716 0.069 . . . . . . . . . . 6356 1 374 . 1 1 34 34 LEU HA H 1 3.861 0.012 . . . . . . . . . . 6356 1 375 . 1 1 34 34 LEU CB C 13 41.091 0.144 . . . . . . . . . . 6356 1 376 . 1 1 34 34 LEU HB2 H 1 2.036 0.122 . . . . . . . . . . 6356 1 377 . 1 1 34 34 LEU CG C 13 27.047 0.000 . . . . . . . . . . 6356 1 378 . 1 1 34 34 LEU HG H 1 1.587 0.074 . . . . . . . . . . 6356 1 379 . 1 1 34 34 LEU HD11 H 1 0.947 0.057 . . . . . . . . . . 6356 1 380 . 1 1 34 34 LEU HD12 H 1 0.947 0.057 . . . . . . . . . . 6356 1 381 . 1 1 34 34 LEU HD13 H 1 0.947 0.057 . . . . . . . . . . 6356 1 382 . 1 1 34 34 LEU HD21 H 1 0.858 0.051 . . . . . . . . . . 6356 1 383 . 1 1 34 34 LEU HD22 H 1 0.858 0.051 . . . . . . . . . . 6356 1 384 . 1 1 34 34 LEU HD23 H 1 0.858 0.051 . . . . . . . . . . 6356 1 385 . 1 1 34 34 LEU CD1 C 13 25.611 0.305 . . . . . . . . . . 6356 1 386 . 1 1 34 34 LEU CD2 C 13 23.633 0.017 . . . . . . . . . . 6356 1 387 . 1 1 34 34 LEU C C 13 178.032 0.000 . . . . . . . . . . 6356 1 388 . 1 1 35 35 ASP N N 15 118.801 0.031 . . . . . . . . . . 6356 1 389 . 1 1 35 35 ASP H H 1 7.477 0.021 . . . . . . . . . . 6356 1 390 . 1 1 35 35 ASP CA C 13 57.868 0.093 . . . . . . . . . . 6356 1 391 . 1 1 35 35 ASP HA H 1 4.324 0.005 . . . . . . . . . . 6356 1 392 . 1 1 35 35 ASP CB C 13 40.702 0.029 . . . . . . . . . . 6356 1 393 . 1 1 35 35 ASP HB2 H 1 2.784 0.013 . . . . . . . . . . 6356 1 394 . 1 1 35 35 ASP HB3 H 1 2.708 0.009 . . . . . . . . . . 6356 1 395 . 1 1 35 35 ASP C C 13 179.290 0.000 . . . . . . . . . . 6356 1 396 . 1 1 36 36 SER N N 15 116.039 0.062 . . . . . . . . . . 6356 1 397 . 1 1 36 36 SER H H 1 7.865 0.011 . . . . . . . . . . 6356 1 398 . 1 1 36 36 SER CA C 13 61.691 0.093 . . . . . . . . . . 6356 1 399 . 1 1 36 36 SER HA H 1 4.282 0.038 . . . . . . . . . . 6356 1 400 . 1 1 36 36 SER CB C 13 62.573 0.472 . . . . . . . . . . 6356 1 401 . 1 1 36 36 SER HB2 H 1 3.967 0.017 . . . . . . . . . . 6356 1 402 . 1 1 36 36 SER HB3 H 1 3.887 0.019 . . . . . . . . . . 6356 1 403 . 1 1 36 36 SER C C 13 177.297 0.000 . . . . . . . . . . 6356 1 404 . 1 1 37 37 LEU N N 15 124.339 0.015 . . . . . . . . . . 6356 1 405 . 1 1 37 37 LEU H H 1 8.676 0.010 . . . . . . . . . . 6356 1 406 . 1 1 37 37 LEU CA C 13 57.650 0.071 . . . . . . . . . . 6356 1 407 . 1 1 37 37 LEU HA H 1 4.236 0.043 . . . . . . . . . . 6356 1 408 . 1 1 37 37 LEU CB C 13 42.341 0.084 . . . . . . . . . . 6356 1 409 . 1 1 37 37 LEU HB2 H 1 1.982 0.012 . . . . . . . . . . 6356 1 410 . 1 1 37 37 LEU HB3 H 1 1.821 0.067 . . . . . . . . . . 6356 1 411 . 1 1 37 37 LEU CG C 13 26.834 0.433 . . . . . . . . . . 6356 1 412 . 1 1 37 37 LEU HG H 1 1.197 0.028 . . . . . . . . . . 6356 1 413 . 1 1 37 37 LEU HD11 H 1 0.977 0.024 . . . . . . . . . . 6356 1 414 . 1 1 37 37 LEU HD12 H 1 0.977 0.024 . . . . . . . . . . 6356 1 415 . 1 1 37 37 LEU HD13 H 1 0.977 0.024 . . . . . . . . . . 6356 1 416 . 1 1 37 37 LEU HD21 H 1 0.841 0.051 . . . . . . . . . . 6356 1 417 . 1 1 37 37 LEU HD22 H 1 0.841 0.051 . . . . . . . . . . 6356 1 418 . 1 1 37 37 LEU HD23 H 1 0.841 0.051 . . . . . . . . . . 6356 1 419 . 1 1 37 37 LEU CD1 C 13 22.402 0.220 . . . . . . . . . . 6356 1 420 . 1 1 37 37 LEU CD2 C 13 21.916 0.088 . . . . . . . . . . 6356 1 421 . 1 1 37 37 LEU C C 13 179.203 0.000 . . . . . . . . . . 6356 1 422 . 1 1 38 38 GLU N N 15 122.558 0.064 . . . . . . . . . . 6356 1 423 . 1 1 38 38 GLU H H 1 9.252 0.014 . . . . . . . . . . 6356 1 424 . 1 1 38 38 GLU CA C 13 59.955 0.145 . . . . . . . . . . 6356 1 425 . 1 1 38 38 GLU HA H 1 4.093 0.045 . . . . . . . . . . 6356 1 426 . 1 1 38 38 GLU CB C 13 29.015 0.143 . . . . . . . . . . 6356 1 427 . 1 1 38 38 GLU HB2 H 1 2.216 0.040 . . . . . . . . . . 6356 1 428 . 1 1 38 38 GLU CG C 13 36.442 0.104 . . . . . . . . . . 6356 1 429 . 1 1 38 38 GLU HG2 H 1 2.502 0.049 . . . . . . . . . . 6356 1 430 . 1 1 38 38 GLU C C 13 179.832 0.000 . . . . . . . . . . 6356 1 431 . 1 1 39 39 GLU N N 15 120.848 0.021 . . . . . . . . . . 6356 1 432 . 1 1 39 39 GLU H H 1 7.585 0.013 . . . . . . . . . . 6356 1 433 . 1 1 39 39 GLU CA C 13 59.701 0.115 . . . . . . . . . . 6356 1 434 . 1 1 39 39 GLU HA H 1 4.092 0.017 . . . . . . . . . . 6356 1 435 . 1 1 39 39 GLU CB C 13 29.492 0.144 . . . . . . . . . . 6356 1 436 . 1 1 39 39 GLU HB2 H 1 2.196 0.014 . . . . . . . . . . 6356 1 437 . 1 1 39 39 GLU CG C 13 36.222 0.094 . . . . . . . . . . 6356 1 438 . 1 1 39 39 GLU HG2 H 1 2.448 0.021 . . . . . . . . . . 6356 1 439 . 1 1 39 39 GLU C C 13 179.920 0.000 . . . . . . . . . . 6356 1 440 . 1 1 40 40 LEU N N 15 121.687 0.004 . . . . . . . . . . 6356 1 441 . 1 1 40 40 LEU H H 1 7.541 0.019 . . . . . . . . . . 6356 1 442 . 1 1 40 40 LEU CA C 13 58.041 0.119 . . . . . . . . . . 6356 1 443 . 1 1 40 40 LEU HA H 1 4.261 0.066 . . . . . . . . . . 6356 1 444 . 1 1 40 40 LEU CB C 13 42.704 0.013 . . . . . . . . . . 6356 1 445 . 1 1 40 40 LEU HB2 H 1 1.891 0.099 . . . . . . . . . . 6356 1 446 . 1 1 40 40 LEU HB3 H 1 1.713 0.113 . . . . . . . . . . 6356 1 447 . 1 1 40 40 LEU CG C 13 26.937 0.093 . . . . . . . . . . 6356 1 448 . 1 1 40 40 LEU HG H 1 1.522 0.104 . . . . . . . . . . 6356 1 449 . 1 1 40 40 LEU HD11 H 1 0.990 0.017 . . . . . . . . . . 6356 1 450 . 1 1 40 40 LEU HD12 H 1 0.990 0.017 . . . . . . . . . . 6356 1 451 . 1 1 40 40 LEU HD13 H 1 0.990 0.017 . . . . . . . . . . 6356 1 452 . 1 1 40 40 LEU HD21 H 1 0.877 0.038 . . . . . . . . . . 6356 1 453 . 1 1 40 40 LEU HD22 H 1 0.877 0.038 . . . . . . . . . . 6356 1 454 . 1 1 40 40 LEU HD23 H 1 0.877 0.038 . . . . . . . . . . 6356 1 455 . 1 1 40 40 LEU CD1 C 13 25.240 0.059 . . . . . . . . . . 6356 1 456 . 1 1 40 40 LEU CD2 C 13 23.672 0.055 . . . . . . . . . . 6356 1 457 . 1 1 40 40 LEU C C 13 178.609 0.000 . . . . . . . . . . 6356 1 458 . 1 1 41 41 SER N N 15 115.544 0.016 . . . . . . . . . . 6356 1 459 . 1 1 41 41 SER H H 1 8.586 0.013 . . . . . . . . . . 6356 1 460 . 1 1 41 41 SER CA C 13 60.708 0.133 . . . . . . . . . . 6356 1 461 . 1 1 41 41 SER HA H 1 4.255 0.012 . . . . . . . . . . 6356 1 462 . 1 1 41 41 SER CB C 13 63.739 0.084 . . . . . . . . . . 6356 1 463 . 1 1 41 41 SER HB2 H 1 3.976 0.017 . . . . . . . . . . 6356 1 464 . 1 1 41 41 SER C C 13 176.381 0.000 . . . . . . . . . . 6356 1 465 . 1 1 42 42 GLU N N 15 118.556 0.011 . . . . . . . . . . 6356 1 466 . 1 1 42 42 GLU H H 1 7.908 0.022 . . . . . . . . . . 6356 1 467 . 1 1 42 42 GLU CA C 13 58.705 0.026 . . . . . . . . . . 6356 1 468 . 1 1 42 42 GLU HA H 1 4.003 0.017 . . . . . . . . . . 6356 1 469 . 1 1 42 42 GLU CB C 13 29.297 0.167 . . . . . . . . . . 6356 1 470 . 1 1 42 42 GLU HB2 H 1 2.082 0.028 . . . . . . . . . . 6356 1 471 . 1 1 42 42 GLU CG C 13 36.359 0.005 . . . . . . . . . . 6356 1 472 . 1 1 42 42 GLU HG2 H 1 2.443 0.025 . . . . . . . . . . 6356 1 473 . 1 1 42 42 GLU HG3 H 1 2.265 0.048 . . . . . . . . . . 6356 1 474 . 1 1 42 42 GLU C C 13 178.626 0.000 . . . . . . . . . . 6356 1 475 . 1 1 43 43 ALA N N 15 119.868 0.036 . . . . . . . . . . 6356 1 476 . 1 1 43 43 ALA H H 1 7.305 0.015 . . . . . . . . . . 6356 1 477 . 1 1 43 43 ALA CA C 13 53.458 0.036 . . . . . . . . . . 6356 1 478 . 1 1 43 43 ALA HA H 1 4.149 0.023 . . . . . . . . . . 6356 1 479 . 1 1 43 43 ALA HB1 H 1 1.277 0.038 . . . . . . . . . . 6356 1 480 . 1 1 43 43 ALA HB2 H 1 1.277 0.038 . . . . . . . . . . 6356 1 481 . 1 1 43 43 ALA HB3 H 1 1.277 0.038 . . . . . . . . . . 6356 1 482 . 1 1 43 43 ALA CB C 13 19.579 0.017 . . . . . . . . . . 6356 1 483 . 1 1 43 43 ALA C C 13 177.874 0.000 . . . . . . . . . . 6356 1 484 . 1 1 44 44 HIS N N 15 115.786 0.016 . . . . . . . . . . 6356 1 485 . 1 1 44 44 HIS H H 1 7.995 0.012 . . . . . . . . . . 6356 1 486 . 1 1 44 44 HIS CA C 13 52.931 0.089 . . . . . . . . . . 6356 1 487 . 1 1 44 44 HIS HA H 1 4.262 0.021 . . . . . . . . . . 6356 1 488 . 1 1 44 44 HIS CB C 13 29.395 0.088 . . . . . . . . . . 6356 1 489 . 1 1 44 44 HIS HB2 H 1 3.098 0.009 . . . . . . . . . . 6356 1 490 . 1 1 44 44 HIS HD1 H 1 7.632 0.000 . . . . . . . . . . 6356 1 491 . 1 1 44 44 HIS HD2 H 1 7.174 0.014 . . . . . . . . . . 6356 1 492 . 1 1 45 45 PRO CD C 13 51.315 0.378 . . . . . . . . . . 6356 1 493 . 1 1 45 45 PRO CA C 13 65.547 0.085 . . . . . . . . . . 6356 1 494 . 1 1 45 45 PRO HA H 1 4.528 0.030 . . . . . . . . . . 6356 1 495 . 1 1 45 45 PRO CB C 13 31.738 0.238 . . . . . . . . . . 6356 1 496 . 1 1 45 45 PRO HB2 H 1 2.399 0.017 . . . . . . . . . . 6356 1 497 . 1 1 45 45 PRO CG C 13 27.072 0.034 . . . . . . . . . . 6356 1 498 . 1 1 45 45 PRO HG2 H 1 2.100 0.022 . . . . . . . . . . 6356 1 499 . 1 1 45 45 PRO HG3 H 1 1.985 0.022 . . . . . . . . . . 6356 1 500 . 1 1 45 45 PRO HD2 H 1 3.911 0.025 . . . . . . . . . . 6356 1 501 . 1 1 45 45 PRO HD3 H 1 3.679 0.061 . . . . . . . . . . 6356 1 502 . 1 1 45 45 PRO C C 13 177.752 0.000 . . . . . . . . . . 6356 1 503 . 1 1 46 46 ASP N N 15 115.507 0.113 . . . . . . . . . . 6356 1 504 . 1 1 46 46 ASP H H 1 8.745 0.021 . . . . . . . . . . 6356 1 505 . 1 1 46 46 ASP CA C 13 54.966 0.069 . . . . . . . . . . 6356 1 506 . 1 1 46 46 ASP HA H 1 4.392 0.014 . . . . . . . . . . 6356 1 507 . 1 1 46 46 ASP CB C 13 39.599 0.086 . . . . . . . . . . 6356 1 508 . 1 1 46 46 ASP HB2 H 1 2.758 0.011 . . . . . . . . . . 6356 1 509 . 1 1 46 46 ASP HB3 H 1 2.657 0.032 . . . . . . . . . . 6356 1 510 . 1 1 46 46 ASP C C 13 177.070 0.000 . . . . . . . . . . 6356 1 511 . 1 1 47 47 CYS N N 15 118.915 0.005 . . . . . . . . . . 6356 1 512 . 1 1 47 47 CYS H H 1 7.662 0.017 . . . . . . . . . . 6356 1 513 . 1 1 47 47 CYS CA C 13 60.170 0.096 . . . . . . . . . . 6356 1 514 . 1 1 47 47 CYS HA H 1 4.453 0.046 . . . . . . . . . . 6356 1 515 . 1 1 47 47 CYS CB C 13 29.213 0.017 . . . . . . . . . . 6356 1 516 . 1 1 47 47 CYS HB2 H 1 2.888 0.016 . . . . . . . . . . 6356 1 517 . 1 1 47 47 CYS HB3 H 1 2.639 0.022 . . . . . . . . . . 6356 1 518 . 1 1 47 47 CYS C C 13 174.290 0.000 . . . . . . . . . . 6356 1 519 . 1 1 48 48 ILE N N 15 115.902 0.000 . . . . . . . . . . 6356 1 520 . 1 1 48 48 ILE H H 1 7.655 0.014 . . . . . . . . . . 6356 1 521 . 1 1 48 48 ILE CA C 13 58.084 0.087 . . . . . . . . . . 6356 1 522 . 1 1 48 48 ILE HA H 1 5.020 0.011 . . . . . . . . . . 6356 1 523 . 1 1 48 48 ILE CB C 13 39.578 0.000 . . . . . . . . . . 6356 1 524 . 1 1 48 48 ILE HB H 1 1.763 0.010 . . . . . . . . . . 6356 1 525 . 1 1 48 48 ILE HG21 H 1 0.931 0.049 . . . . . . . . . . 6356 1 526 . 1 1 48 48 ILE HG22 H 1 0.931 0.049 . . . . . . . . . . 6356 1 527 . 1 1 48 48 ILE HG23 H 1 0.931 0.049 . . . . . . . . . . 6356 1 528 . 1 1 48 48 ILE CG2 C 13 17.413 0.000 . . . . . . . . . . 6356 1 529 . 1 1 48 48 ILE CG1 C 13 26.737 0.000 . . . . . . . . . . 6356 1 530 . 1 1 48 48 ILE HG12 H 1 1.267 0.051 . . . . . . . . . . 6356 1 531 . 1 1 48 48 ILE HD11 H 1 0.805 0.065 . . . . . . . . . . 6356 1 532 . 1 1 48 48 ILE HD12 H 1 0.805 0.065 . . . . . . . . . . 6356 1 533 . 1 1 48 48 ILE HD13 H 1 0.805 0.065 . . . . . . . . . . 6356 1 534 . 1 1 48 48 ILE CD1 C 13 12.750 0.000 . . . . . . . . . . 6356 1 535 . 1 1 49 49 PRO CD C 13 50.748 0.417 . . . . . . . . . . 6356 1 536 . 1 1 49 49 PRO CA C 13 64.412 0.076 . . . . . . . . . . 6356 1 537 . 1 1 49 49 PRO HA H 1 4.314 0.141 . . . . . . . . . . 6356 1 538 . 1 1 49 49 PRO CB C 13 32.654 0.144 . . . . . . . . . . 6356 1 539 . 1 1 49 49 PRO HB2 H 1 2.400 0.012 . . . . . . . . . . 6356 1 540 . 1 1 49 49 PRO CG C 13 27.317 0.091 . . . . . . . . . . 6356 1 541 . 1 1 49 49 PRO HG2 H 1 2.043 0.047 . . . . . . . . . . 6356 1 542 . 1 1 49 49 PRO HD2 H 1 3.904 0.018 . . . . . . . . . . 6356 1 543 . 1 1 49 49 PRO HD3 H 1 3.691 0.023 . . . . . . . . . . 6356 1 544 . 1 1 49 49 PRO C C 13 176.860 0.000 . . . . . . . . . . 6356 1 545 . 1 1 50 50 ASP N N 15 113.989 0.215 . . . . . . . . . . 6356 1 546 . 1 1 50 50 ASP H H 1 6.857 0.014 . . . . . . . . . . 6356 1 547 . 1 1 50 50 ASP CA C 13 54.431 0.169 . . . . . . . . . . 6356 1 548 . 1 1 50 50 ASP HA H 1 4.596 0.058 . . . . . . . . . . 6356 1 549 . 1 1 50 50 ASP CB C 13 44.918 0.185 . . . . . . . . . . 6356 1 550 . 1 1 50 50 ASP HB2 H 1 2.616 0.089 . . . . . . . . . . 6356 1 551 . 1 1 50 50 ASP C C 13 177.249 0.000 . . . . . . . . . . 6356 1 552 . 1 1 51 51 VAL N N 15 122.770 0.000 . . . . . . . . . . 6356 1 553 . 1 1 51 51 VAL H H 1 8.053 0.017 . . . . . . . . . . 6356 1 554 . 1 1 51 51 VAL CA C 13 60.544 0.126 . . . . . . . . . . 6356 1 555 . 1 1 51 51 VAL HA H 1 4.880 0.013 . . . . . . . . . . 6356 1 556 . 1 1 51 51 VAL CB C 13 33.825 0.354 . . . . . . . . . . 6356 1 557 . 1 1 51 51 VAL HB H 1 2.047 0.051 . . . . . . . . . . 6356 1 558 . 1 1 51 51 VAL HG11 H 1 1.018 0.051 . . . . . . . . . . 6356 1 559 . 1 1 51 51 VAL HG12 H 1 1.018 0.051 . . . . . . . . . . 6356 1 560 . 1 1 51 51 VAL HG13 H 1 1.018 0.051 . . . . . . . . . . 6356 1 561 . 1 1 51 51 VAL HG21 H 1 0.890 0.047 . . . . . . . . . . 6356 1 562 . 1 1 51 51 VAL HG22 H 1 0.890 0.047 . . . . . . . . . . 6356 1 563 . 1 1 51 51 VAL HG23 H 1 0.890 0.047 . . . . . . . . . . 6356 1 564 . 1 1 51 51 VAL CG1 C 13 21.580 0.362 . . . . . . . . . . 6356 1 565 . 1 1 51 51 VAL CG2 C 13 19.958 0.188 . . . . . . . . . . 6356 1 566 . 1 1 51 51 VAL C C 13 172.909 0.000 . . . . . . . . . . 6356 1 567 . 1 1 52 52 GLU N N 15 126.821 0.111 . . . . . . . . . . 6356 1 568 . 1 1 52 52 GLU H H 1 8.520 0.018 . . . . . . . . . . 6356 1 569 . 1 1 52 52 GLU CA C 13 55.517 0.226 . . . . . . . . . . 6356 1 570 . 1 1 52 52 GLU HA H 1 4.619 0.045 . . . . . . . . . . 6356 1 571 . 1 1 52 52 GLU CB C 13 33.678 0.038 . . . . . . . . . . 6356 1 572 . 1 1 52 52 GLU HB2 H 1 2.030 0.017 . . . . . . . . . . 6356 1 573 . 1 1 52 52 GLU HB3 H 1 1.912 0.015 . . . . . . . . . . 6356 1 574 . 1 1 52 52 GLU CG C 13 35.856 0.000 . . . . . . . . . . 6356 1 575 . 1 1 52 52 GLU HG2 H 1 2.229 0.020 . . . . . . . . . . 6356 1 576 . 1 1 52 52 GLU C C 13 173.328 0.000 . . . . . . . . . . 6356 1 577 . 1 1 53 53 LEU N N 15 126.965 0.103 . . . . . . . . . . 6356 1 578 . 1 1 53 53 LEU H H 1 8.811 0.013 . . . . . . . . . . 6356 1 579 . 1 1 53 53 LEU CA C 13 54.033 0.105 . . . . . . . . . . 6356 1 580 . 1 1 53 53 LEU HA H 1 5.179 0.014 . . . . . . . . . . 6356 1 581 . 1 1 53 53 LEU CB C 13 46.256 0.014 . . . . . . . . . . 6356 1 582 . 1 1 53 53 LEU HB2 H 1 1.958 0.016 . . . . . . . . . . 6356 1 583 . 1 1 53 53 LEU CG C 13 26.618 0.069 . . . . . . . . . . 6356 1 584 . 1 1 53 53 LEU HG H 1 1.593 0.099 . . . . . . . . . . 6356 1 585 . 1 1 53 53 LEU HD11 H 1 0.968 0.026 . . . . . . . . . . 6356 1 586 . 1 1 53 53 LEU HD12 H 1 0.968 0.026 . . . . . . . . . . 6356 1 587 . 1 1 53 53 LEU HD13 H 1 0.968 0.026 . . . . . . . . . . 6356 1 588 . 1 1 53 53 LEU HD21 H 1 0.869 0.033 . . . . . . . . . . 6356 1 589 . 1 1 53 53 LEU HD22 H 1 0.869 0.033 . . . . . . . . . . 6356 1 590 . 1 1 53 53 LEU HD23 H 1 0.869 0.033 . . . . . . . . . . 6356 1 591 . 1 1 53 53 LEU CD1 C 13 23.522 0.087 . . . . . . . . . . 6356 1 592 . 1 1 53 53 LEU CD2 C 13 23.300 0.047 . . . . . . . . . . 6356 1 593 . 1 1 53 53 LEU C C 13 175.147 0.000 . . . . . . . . . . 6356 1 594 . 1 1 54 54 SER N N 15 121.428 0.001 . . . . . . . . . . 6356 1 595 . 1 1 54 54 SER H H 1 8.712 0.017 . . . . . . . . . . 6356 1 596 . 1 1 54 54 SER CA C 13 57.816 0.410 . . . . . . . . . . 6356 1 597 . 1 1 54 54 SER HA H 1 4.530 0.037 . . . . . . . . . . 6356 1 598 . 1 1 54 54 SER CB C 13 64.491 0.285 . . . . . . . . . . 6356 1 599 . 1 1 54 54 SER HB2 H 1 3.760 0.040 . . . . . . . . . . 6356 1 600 . 1 1 54 54 SER HB3 H 1 3.675 0.011 . . . . . . . . . . 6356 1 601 . 1 1 54 54 SER C C 13 174.517 0.000 . . . . . . . . . . 6356 1 602 . 1 1 55 55 HIS N N 15 123.964 0.032 . . . . . . . . . . 6356 1 603 . 1 1 55 55 HIS H H 1 8.354 0.029 . . . . . . . . . . 6356 1 604 . 1 1 55 55 HIS CA C 13 57.238 0.132 . . . . . . . . . . 6356 1 605 . 1 1 55 55 HIS HA H 1 4.301 0.008 . . . . . . . . . . 6356 1 606 . 1 1 55 55 HIS CB C 13 28.008 0.040 . . . . . . . . . . 6356 1 607 . 1 1 55 55 HIS HB2 H 1 2.981 0.020 . . . . . . . . . . 6356 1 608 . 1 1 55 55 HIS HD2 H 1 7.772 0.005 . . . . . . . . . . 6356 1 609 . 1 1 55 55 HIS C C 13 175.444 0.000 . . . . . . . . . . 6356 1 610 . 1 1 56 56 GLY N N 15 105.675 0.042 . . . . . . . . . . 6356 1 611 . 1 1 56 56 GLY H H 1 8.816 0.010 . . . . . . . . . . 6356 1 612 . 1 1 56 56 GLY CA C 13 46.404 0.020 . . . . . . . . . . 6356 1 613 . 1 1 56 56 GLY HA2 H 1 3.945 0.087 . . . . . . . . . . 6356 1 614 . 1 1 56 56 GLY HA3 H 1 3.659 0.092 . . . . . . . . . . 6356 1 615 . 1 1 56 56 GLY C C 13 172.052 0.000 . . . . . . . . . . 6356 1 616 . 1 1 57 57 VAL N N 15 120.009 0.032 . . . . . . . . . . 6356 1 617 . 1 1 57 57 VAL H H 1 7.785 0.016 . . . . . . . . . . 6356 1 618 . 1 1 57 57 VAL CA C 13 61.862 0.126 . . . . . . . . . . 6356 1 619 . 1 1 57 57 VAL HA H 1 4.344 0.121 . . . . . . . . . . 6356 1 620 . 1 1 57 57 VAL CB C 13 33.501 0.175 . . . . . . . . . . 6356 1 621 . 1 1 57 57 VAL HB H 1 2.160 0.072 . . . . . . . . . . 6356 1 622 . 1 1 57 57 VAL HG11 H 1 1.019 0.025 . . . . . . . . . . 6356 1 623 . 1 1 57 57 VAL HG12 H 1 1.019 0.025 . . . . . . . . . . 6356 1 624 . 1 1 57 57 VAL HG13 H 1 1.019 0.025 . . . . . . . . . . 6356 1 625 . 1 1 57 57 VAL HG21 H 1 0.931 0.049 . . . . . . . . . . 6356 1 626 . 1 1 57 57 VAL HG22 H 1 0.931 0.049 . . . . . . . . . . 6356 1 627 . 1 1 57 57 VAL HG23 H 1 0.931 0.049 . . . . . . . . . . 6356 1 628 . 1 1 57 57 VAL CG1 C 13 21.479 0.488 . . . . . . . . . . 6356 1 629 . 1 1 57 57 VAL CG2 C 13 21.382 0.284 . . . . . . . . . . 6356 1 630 . 1 1 57 57 VAL C C 13 174.919 0.000 . . . . . . . . . . 6356 1 631 . 1 1 58 58 MET N N 15 134.356 0.050 . . . . . . . . . . 6356 1 632 . 1 1 58 58 MET H H 1 10.154 0.009 . . . . . . . . . . 6356 1 633 . 1 1 58 58 MET CA C 13 53.072 0.167 . . . . . . . . . . 6356 1 634 . 1 1 58 58 MET HA H 1 3.893 0.038 . . . . . . . . . . 6356 1 635 . 1 1 58 58 MET CB C 13 36.034 0.041 . . . . . . . . . . 6356 1 636 . 1 1 58 58 MET HB2 H 1 2.271 0.024 . . . . . . . . . . 6356 1 637 . 1 1 58 58 MET CG C 13 31.111 0.176 . . . . . . . . . . 6356 1 638 . 1 1 58 58 MET HG2 H 1 2.310 0.024 . . . . . . . . . . 6356 1 639 . 1 1 58 58 MET C C 13 174.587 0.000 . . . . . . . . . . 6356 1 640 . 1 1 59 59 THR N N 15 123.135 0.009 . . . . . . . . . . 6356 1 641 . 1 1 59 59 THR H H 1 8.964 0.009 . . . . . . . . . . 6356 1 642 . 1 1 59 59 THR CA C 13 58.577 0.218 . . . . . . . . . . 6356 1 643 . 1 1 59 59 THR HA H 1 4.488 0.038 . . . . . . . . . . 6356 1 644 . 1 1 59 59 THR CB C 13 64.015 0.177 . . . . . . . . . . 6356 1 645 . 1 1 59 59 THR HB H 1 3.916 0.040 . . . . . . . . . . 6356 1 646 . 1 1 59 59 THR HG21 H 1 0.964 0.043 . . . . . . . . . . 6356 1 647 . 1 1 59 59 THR HG22 H 1 0.964 0.043 . . . . . . . . . . 6356 1 648 . 1 1 59 59 THR HG23 H 1 0.964 0.043 . . . . . . . . . . 6356 1 649 . 1 1 59 59 THR CG2 C 13 21.041 0.233 . . . . . . . . . . 6356 1 650 . 1 1 59 59 THR C C 13 175.864 0.000 . . . . . . . . . . 6356 1 651 . 1 1 60 60 LEU N N 15 125.173 0.098 . . . . . . . . . . 6356 1 652 . 1 1 60 60 LEU H H 1 8.204 0.029 . . . . . . . . . . 6356 1 653 . 1 1 60 60 LEU CA C 13 55.792 0.374 . . . . . . . . . . 6356 1 654 . 1 1 60 60 LEU HA H 1 4.272 0.067 . . . . . . . . . . 6356 1 655 . 1 1 60 60 LEU CB C 13 42.153 0.040 . . . . . . . . . . 6356 1 656 . 1 1 60 60 LEU HB2 H 1 1.680 0.020 . . . . . . . . . . 6356 1 657 . 1 1 60 60 LEU CG C 13 26.924 0.091 . . . . . . . . . . 6356 1 658 . 1 1 60 60 LEU HG H 1 1.589 0.026 . . . . . . . . . . 6356 1 659 . 1 1 60 60 LEU HD11 H 1 0.982 0.025 . . . . . . . . . . 6356 1 660 . 1 1 60 60 LEU HD12 H 1 0.982 0.025 . . . . . . . . . . 6356 1 661 . 1 1 60 60 LEU HD13 H 1 0.982 0.025 . . . . . . . . . . 6356 1 662 . 1 1 60 60 LEU HD21 H 1 0.875 0.023 . . . . . . . . . . 6356 1 663 . 1 1 60 60 LEU HD22 H 1 0.875 0.023 . . . . . . . . . . 6356 1 664 . 1 1 60 60 LEU HD23 H 1 0.875 0.023 . . . . . . . . . . 6356 1 665 . 1 1 60 60 LEU CD1 C 13 24.945 0.075 . . . . . . . . . . 6356 1 666 . 1 1 60 60 LEU CD2 C 13 23.546 0.085 . . . . . . . . . . 6356 1 667 . 1 1 60 60 LEU C C 13 177.664 0.000 . . . . . . . . . . 6356 1 668 . 1 1 61 61 GLU N N 15 122.650 0.000 . . . . . . . . . . 6356 1 669 . 1 1 61 61 GLU H H 1 8.288 0.024 . . . . . . . . . . 6356 1 670 . 1 1 61 61 GLU CA C 13 56.576 0.205 . . . . . . . . . . 6356 1 671 . 1 1 61 61 GLU HA H 1 4.292 0.051 . . . . . . . . . . 6356 1 672 . 1 1 61 61 GLU CB C 13 30.426 0.092 . . . . . . . . . . 6356 1 673 . 1 1 61 61 GLU HB2 H 1 2.050 0.013 . . . . . . . . . . 6356 1 674 . 1 1 61 61 GLU HB3 H 1 1.948 0.041 . . . . . . . . . . 6356 1 675 . 1 1 61 61 GLU CG C 13 36.067 0.075 . . . . . . . . . . 6356 1 676 . 1 1 61 61 GLU HG2 H 1 2.255 0.039 . . . . . . . . . . 6356 1 677 . 1 1 61 61 GLU C C 13 176.720 0.000 . . . . . . . . . . 6356 1 678 . 1 1 62 62 ILE N N 15 124.333 0.016 . . . . . . . . . . 6356 1 679 . 1 1 62 62 ILE H H 1 8.174 0.010 . . . . . . . . . . 6356 1 680 . 1 1 62 62 ILE CA C 13 55.258 0.212 . . . . . . . . . . 6356 1 681 . 1 1 62 62 ILE HA H 1 4.340 0.024 . . . . . . . . . . 6356 1 682 . 1 1 62 62 ILE CB C 13 42.262 0.000 . . . . . . . . . . 6356 1 683 . 1 1 62 62 ILE HB H 1 1.640 0.038 . . . . . . . . . . 6356 1 684 . 1 1 62 62 ILE HG21 H 1 0.976 0.036 . . . . . . . . . . 6356 1 685 . 1 1 62 62 ILE HG22 H 1 0.976 0.036 . . . . . . . . . . 6356 1 686 . 1 1 62 62 ILE HG23 H 1 0.976 0.036 . . . . . . . . . . 6356 1 687 . 1 1 62 62 ILE CG2 C 13 16.586 0.292 . . . . . . . . . . 6356 1 688 . 1 1 62 62 ILE CG1 C 13 27.047 0.000 . . . . . . . . . . 6356 1 689 . 1 1 62 62 ILE HG12 H 1 1.539 0.077 . . . . . . . . . . 6356 1 690 . 1 1 62 62 ILE HD11 H 1 0.904 0.050 . . . . . . . . . . 6356 1 691 . 1 1 62 62 ILE HD12 H 1 0.904 0.050 . . . . . . . . . . 6356 1 692 . 1 1 62 62 ILE HD13 H 1 0.904 0.050 . . . . . . . . . . 6356 1 693 . 1 1 62 62 ILE CD1 C 13 17.102 0.000 . . . . . . . . . . 6356 1 694 . 1 1 63 63 PRO CD C 13 51.604 0.255 . . . . . . . . . . 6356 1 695 . 1 1 63 63 PRO CA C 13 56.808 0.133 . . . . . . . . . . 6356 1 696 . 1 1 63 63 PRO HA H 1 4.297 0.040 . . . . . . . . . . 6356 1 697 . 1 1 63 63 PRO CB C 13 30.545 0.296 . . . . . . . . . . 6356 1 698 . 1 1 63 63 PRO HB2 H 1 2.329 0.057 . . . . . . . . . . 6356 1 699 . 1 1 63 63 PRO CG C 13 26.917 0.180 . . . . . . . . . . 6356 1 700 . 1 1 63 63 PRO HG2 H 1 2.133 0.019 . . . . . . . . . . 6356 1 701 . 1 1 63 63 PRO HG3 H 1 1.963 0.022 . . . . . . . . . . 6356 1 702 . 1 1 63 63 PRO HD2 H 1 3.912 0.033 . . . . . . . . . . 6356 1 703 . 1 1 63 63 PRO HD3 H 1 3.696 0.037 . . . . . . . . . . 6356 1 704 . 1 1 63 63 PRO C C 13 176.213 0.000 . . . . . . . . . . 6356 1 705 . 1 1 64 64 ALA N N 15 125.905 0.007 . . . . . . . . . . 6356 1 706 . 1 1 64 64 ALA H H 1 8.319 0.014 . . . . . . . . . . 6356 1 707 . 1 1 64 64 ALA CA C 13 52.680 0.089 . . . . . . . . . . 6356 1 708 . 1 1 64 64 ALA HA H 1 4.316 0.037 . . . . . . . . . . 6356 1 709 . 1 1 64 64 ALA HB1 H 1 1.403 0.016 . . . . . . . . . . 6356 1 710 . 1 1 64 64 ALA HB2 H 1 1.403 0.016 . . . . . . . . . . 6356 1 711 . 1 1 64 64 ALA HB3 H 1 1.403 0.016 . . . . . . . . . . 6356 1 712 . 1 1 64 64 ALA CB C 13 19.586 0.014 . . . . . . . . . . 6356 1 713 . 1 1 64 64 ALA C C 13 176.802 0.000 . . . . . . . . . . 6356 1 714 . 1 1 65 65 PHE N N 15 121.087 0.008 . . . . . . . . . . 6356 1 715 . 1 1 65 65 PHE H H 1 8.266 0.010 . . . . . . . . . . 6356 1 716 . 1 1 65 65 PHE CA C 13 54.909 0.176 . . . . . . . . . . 6356 1 717 . 1 1 65 65 PHE HA H 1 4.590 0.045 . . . . . . . . . . 6356 1 718 . 1 1 65 65 PHE CB C 13 41.209 0.046 . . . . . . . . . . 6356 1 719 . 1 1 65 65 PHE HB2 H 1 2.698 0.018 . . . . . . . . . . 6356 1 720 . 1 1 65 65 PHE HB3 H 1 2.608 0.014 . . . . . . . . . . 6356 1 721 . 1 1 65 65 PHE HD1 H 1 7.470 0.002 . . . . . . . . . . 6356 1 722 . 1 1 65 65 PHE HE1 H 1 7.865 0.002 . . . . . . . . . . 6356 1 723 . 1 1 65 65 PHE HZ H 1 7.526 0.002 . . . . . . . . . . 6356 1 724 . 1 1 65 65 PHE HE2 H 1 7.379 0.003 . . . . . . . . . . 6356 1 725 . 1 1 65 65 PHE HD2 H 1 7.050 0.001 . . . . . . . . . . 6356 1 726 . 1 1 65 65 PHE C C 13 176.423 0.000 . . . . . . . . . . 6356 1 727 . 1 1 66 66 GLY N N 15 115.058 0.000 . . . . . . . . . . 6356 1 728 . 1 1 66 66 GLY H H 1 8.266 0.019 . . . . . . . . . . 6356 1 729 . 1 1 66 66 GLY CA C 13 45.372 0.063 . . . . . . . . . . 6356 1 730 . 1 1 66 66 GLY HA2 H 1 4.587 0.032 . . . . . . . . . . 6356 1 731 . 1 1 66 66 GLY HA3 H 1 4.006 0.034 . . . . . . . . . . 6356 1 732 . 1 1 66 66 GLY C C 13 176.668 0.000 . . . . . . . . . . 6356 1 733 . 1 1 67 67 THR N N 15 120.481 0.000 . . . . . . . . . . 6356 1 734 . 1 1 67 67 THR H H 1 7.987 0.016 . . . . . . . . . . 6356 1 735 . 1 1 67 67 THR CA C 13 61.585 0.355 . . . . . . . . . . 6356 1 736 . 1 1 67 67 THR HA H 1 4.330 0.067 . . . . . . . . . . 6356 1 737 . 1 1 67 67 THR CB C 13 62.736 0.182 . . . . . . . . . . 6356 1 738 . 1 1 67 67 THR HB H 1 4.115 0.043 . . . . . . . . . . 6356 1 739 . 1 1 67 67 THR HG21 H 1 0.990 0.081 . . . . . . . . . . 6356 1 740 . 1 1 67 67 THR HG22 H 1 0.990 0.081 . . . . . . . . . . 6356 1 741 . 1 1 67 67 THR HG23 H 1 0.990 0.081 . . . . . . . . . . 6356 1 742 . 1 1 67 67 THR CG2 C 13 21.177 0.078 . . . . . . . . . . 6356 1 743 . 1 1 67 67 THR C C 13 173.591 0.000 . . . . . . . . . . 6356 1 744 . 1 1 68 68 TYR N N 15 127.488 0.055 . . . . . . . . . . 6356 1 745 . 1 1 68 68 TYR H H 1 8.068 0.010 . . . . . . . . . . 6356 1 746 . 1 1 68 68 TYR CA C 13 55.176 0.186 . . . . . . . . . . 6356 1 747 . 1 1 68 68 TYR HA H 1 4.577 0.040 . . . . . . . . . . 6356 1 748 . 1 1 68 68 TYR CB C 13 41.412 0.281 . . . . . . . . . . 6356 1 749 . 1 1 68 68 TYR HB2 H 1 2.742 0.059 . . . . . . . . . . 6356 1 750 . 1 1 68 68 TYR HB3 H 1 2.663 0.061 . . . . . . . . . . 6356 1 751 . 1 1 68 68 TYR HD1 H 1 7.417 0.020 . . . . . . . . . . 6356 1 752 . 1 1 68 68 TYR HE1 H 1 7.521 0.002 . . . . . . . . . . 6356 1 753 . 1 1 68 68 TYR C C 13 176.406 0.000 . . . . . . . . . . 6356 1 754 . 1 1 69 69 VAL N N 15 121.938 0.036 . . . . . . . . . . 6356 1 755 . 1 1 69 69 VAL H H 1 8.121 0.018 . . . . . . . . . . 6356 1 756 . 1 1 69 69 VAL CA C 13 55.393 0.304 . . . . . . . . . . 6356 1 757 . 1 1 69 69 VAL HA H 1 4.334 0.040 . . . . . . . . . . 6356 1 758 . 1 1 69 69 VAL CB C 13 41.512 0.484 . . . . . . . . . . 6356 1 759 . 1 1 69 69 VAL HB H 1 1.966 0.151 . . . . . . . . . . 6356 1 760 . 1 1 69 69 VAL HG11 H 1 0.971 0.023 . . . . . . . . . . 6356 1 761 . 1 1 69 69 VAL HG12 H 1 0.971 0.023 . . . . . . . . . . 6356 1 762 . 1 1 69 69 VAL HG13 H 1 0.971 0.023 . . . . . . . . . . 6356 1 763 . 1 1 69 69 VAL HG21 H 1 0.840 0.041 . . . . . . . . . . 6356 1 764 . 1 1 69 69 VAL HG22 H 1 0.840 0.041 . . . . . . . . . . 6356 1 765 . 1 1 69 69 VAL HG23 H 1 0.840 0.041 . . . . . . . . . . 6356 1 766 . 1 1 69 69 VAL CG1 C 13 23.561 0.216 . . . . . . . . . . 6356 1 767 . 1 1 69 69 VAL CG2 C 13 23.806 0.560 . . . . . . . . . . 6356 1 768 . 1 1 69 69 VAL C C 13 177.280 0.000 . . . . . . . . . . 6356 1 769 . 1 1 70 70 ILE N N 15 121.037 0.094 . . . . . . . . . . 6356 1 770 . 1 1 70 70 ILE H H 1 8.094 0.008 . . . . . . . . . . 6356 1 771 . 1 1 70 70 ILE CA C 13 55.361 0.372 . . . . . . . . . . 6356 1 772 . 1 1 70 70 ILE HA H 1 4.352 0.039 . . . . . . . . . . 6356 1 773 . 1 1 70 70 ILE CB C 13 40.917 0.241 . . . . . . . . . . 6356 1 774 . 1 1 70 70 ILE HB H 1 1.996 0.032 . . . . . . . . . . 6356 1 775 . 1 1 70 70 ILE HG21 H 1 0.942 0.045 . . . . . . . . . . 6356 1 776 . 1 1 70 70 ILE HG22 H 1 0.942 0.045 . . . . . . . . . . 6356 1 777 . 1 1 70 70 ILE HG23 H 1 0.942 0.045 . . . . . . . . . . 6356 1 778 . 1 1 70 70 ILE CG2 C 13 17.413 0.000 . . . . . . . . . . 6356 1 779 . 1 1 70 70 ILE CG1 C 13 27.135 0.084 . . . . . . . . . . 6356 1 780 . 1 1 70 70 ILE HG12 H 1 1.210 0.038 . . . . . . . . . . 6356 1 781 . 1 1 70 70 ILE HD11 H 1 0.874 0.038 . . . . . . . . . . 6356 1 782 . 1 1 70 70 ILE HD12 H 1 0.874 0.038 . . . . . . . . . . 6356 1 783 . 1 1 70 70 ILE HD13 H 1 0.874 0.038 . . . . . . . . . . 6356 1 784 . 1 1 70 70 ILE CD1 C 13 12.620 0.053 . . . . . . . . . . 6356 1 785 . 1 1 70 70 ILE C C 13 176.213 0.000 . . . . . . . . . . 6356 1 786 . 1 1 71 71 ASN N N 15 121.514 0.018 . . . . . . . . . . 6356 1 787 . 1 1 71 71 ASN H H 1 8.186 0.039 . . . . . . . . . . 6356 1 788 . 1 1 71 71 ASN CA C 13 54.663 0.406 . . . . . . . . . . 6356 1 789 . 1 1 71 71 ASN HA H 1 4.568 0.040 . . . . . . . . . . 6356 1 790 . 1 1 71 71 ASN CB C 13 41.250 0.169 . . . . . . . . . . 6356 1 791 . 1 1 71 71 ASN HB2 H 1 2.695 0.024 . . . . . . . . . . 6356 1 792 . 1 1 71 71 ASN C C 13 176.161 0.000 . . . . . . . . . . 6356 1 793 . 1 1 72 72 LYS N N 15 119.830 0.236 . . . . . . . . . . 6356 1 794 . 1 1 72 72 LYS H H 1 8.159 0.024 . . . . . . . . . . 6356 1 795 . 1 1 72 72 LYS CA C 13 58.369 0.132 . . . . . . . . . . 6356 1 796 . 1 1 72 72 LYS HA H 1 4.450 0.072 . . . . . . . . . . 6356 1 797 . 1 1 72 72 LYS CB C 13 28.398 0.154 . . . . . . . . . . 6356 1 798 . 1 1 72 72 LYS HB2 H 1 1.870 0.070 . . . . . . . . . . 6356 1 799 . 1 1 72 72 LYS CG C 13 24.872 0.000 . . . . . . . . . . 6356 1 800 . 1 1 72 72 LYS HG2 H 1 1.542 0.033 . . . . . . . . . . 6356 1 801 . 1 1 72 72 LYS CD C 13 33.083 0.167 . . . . . . . . . . 6356 1 802 . 1 1 72 72 LYS HD2 H 1 1.811 0.039 . . . . . . . . . . 6356 1 803 . 1 1 72 72 LYS CE C 13 43.176 0.023 . . . . . . . . . . 6356 1 804 . 1 1 72 72 LYS HE2 H 1 3.026 0.083 . . . . . . . . . . 6356 1 805 . 1 1 72 72 LYS C C 13 174.080 0.000 . . . . . . . . . . 6356 1 806 . 1 1 73 73 GLN N N 15 126.385 0.000 . . . . . . . . . . 6356 1 807 . 1 1 73 73 GLN H H 1 8.226 0.033 . . . . . . . . . . 6356 1 808 . 1 1 73 73 GLN CA C 13 57.778 0.244 . . . . . . . . . . 6356 1 809 . 1 1 73 73 GLN HA H 1 4.307 0.060 . . . . . . . . . . 6356 1 810 . 1 1 73 73 GLN CB C 13 38.711 0.150 . . . . . . . . . . 6356 1 811 . 1 1 73 73 GLN HB2 H 1 2.082 0.140 . . . . . . . . . . 6356 1 812 . 1 1 73 73 GLN CG C 13 33.659 0.277 . . . . . . . . . . 6356 1 813 . 1 1 73 73 GLN HG2 H 1 2.418 0.034 . . . . . . . . . . 6356 1 814 . 1 1 75 75 PRO CD C 13 50.492 0.118 . . . . . . . . . . 6356 1 815 . 1 1 75 75 PRO CA C 13 66.201 0.131 . . . . . . . . . . 6356 1 816 . 1 1 75 75 PRO HA H 1 4.335 0.032 . . . . . . . . . . 6356 1 817 . 1 1 75 75 PRO CB C 13 30.933 0.093 . . . . . . . . . . 6356 1 818 . 1 1 75 75 PRO HB2 H 1 2.291 0.079 . . . . . . . . . . 6356 1 819 . 1 1 75 75 PRO CG C 13 27.563 0.158 . . . . . . . . . . 6356 1 820 . 1 1 75 75 PRO HG2 H 1 2.011 0.021 . . . . . . . . . . 6356 1 821 . 1 1 75 75 PRO HD2 H 1 3.832 0.030 . . . . . . . . . . 6356 1 822 . 1 1 75 75 PRO HD3 H 1 3.630 0.026 . . . . . . . . . . 6356 1 823 . 1 1 75 75 PRO C C 13 176.790 0.000 . . . . . . . . . . 6356 1 824 . 1 1 76 76 ASN N N 15 112.207 0.080 . . . . . . . . . . 6356 1 825 . 1 1 76 76 ASN H H 1 6.934 0.011 . . . . . . . . . . 6356 1 826 . 1 1 76 76 ASN CA C 13 52.710 0.057 . . . . . . . . . . 6356 1 827 . 1 1 76 76 ASN HA H 1 4.820 0.016 . . . . . . . . . . 6356 1 828 . 1 1 76 76 ASN CB C 13 40.911 0.082 . . . . . . . . . . 6356 1 829 . 1 1 76 76 ASN HB2 H 1 3.094 0.017 . . . . . . . . . . 6356 1 830 . 1 1 76 76 ASN C C 13 177.874 0.000 . . . . . . . . . . 6356 1 831 . 1 1 77 77 LYS N N 15 117.592 0.078 . . . . . . . . . . 6356 1 832 . 1 1 77 77 LYS H H 1 7.963 0.010 . . . . . . . . . . 6356 1 833 . 1 1 77 77 LYS CA C 13 57.489 0.131 . . . . . . . . . . 6356 1 834 . 1 1 77 77 LYS HA H 1 4.273 0.022 . . . . . . . . . . 6356 1 835 . 1 1 77 77 LYS CB C 13 28.938 0.117 . . . . . . . . . . 6356 1 836 . 1 1 77 77 LYS HB2 H 1 2.046 0.045 . . . . . . . . . . 6356 1 837 . 1 1 77 77 LYS HB3 H 1 1.897 0.090 . . . . . . . . . . 6356 1 838 . 1 1 77 77 LYS CG C 13 26.080 0.022 . . . . . . . . . . 6356 1 839 . 1 1 77 77 LYS HG2 H 1 1.124 0.064 . . . . . . . . . . 6356 1 840 . 1 1 77 77 LYS CD C 13 29.465 0.458 . . . . . . . . . . 6356 1 841 . 1 1 77 77 LYS HD2 H 1 1.626 0.031 . . . . . . . . . . 6356 1 842 . 1 1 77 77 LYS CE C 13 42.557 0.142 . . . . . . . . . . 6356 1 843 . 1 1 77 77 LYS HE2 H 1 3.004 0.042 . . . . . . . . . . 6356 1 844 . 1 1 77 77 LYS C C 13 174.080 0.000 . . . . . . . . . . 6356 1 845 . 1 1 78 78 GLN N N 15 111.250 0.101 . . . . . . . . . . 6356 1 846 . 1 1 78 78 GLN H H 1 6.655 0.019 . . . . . . . . . . 6356 1 847 . 1 1 78 78 GLN CA C 13 54.040 0.064 . . . . . . . . . . 6356 1 848 . 1 1 78 78 GLN HA H 1 5.863 0.012 . . . . . . . . . . 6356 1 849 . 1 1 78 78 GLN CB C 13 37.234 0.178 . . . . . . . . . . 6356 1 850 . 1 1 78 78 GLN HB2 H 1 2.164 0.028 . . . . . . . . . . 6356 1 851 . 1 1 78 78 GLN CG C 13 33.069 0.440 . . . . . . . . . . 6356 1 852 . 1 1 78 78 GLN HG2 H 1 2.707 0.066 . . . . . . . . . . 6356 1 853 . 1 1 78 78 GLN HG3 H 1 2.543 0.030 . . . . . . . . . . 6356 1 854 . 1 1 78 78 GLN C C 13 179.098 0.000 . . . . . . . . . . 6356 1 855 . 1 1 79 79 ILE N N 15 126.042 0.056 . . . . . . . . . . 6356 1 856 . 1 1 79 79 ILE H H 1 9.118 0.011 . . . . . . . . . . 6356 1 857 . 1 1 79 79 ILE CA C 13 62.745 0.363 . . . . . . . . . . 6356 1 858 . 1 1 79 79 ILE HA H 1 4.521 0.038 . . . . . . . . . . 6356 1 859 . 1 1 79 79 ILE CB C 13 40.653 0.189 . . . . . . . . . . 6356 1 860 . 1 1 79 79 ILE HB H 1 1.837 0.086 . . . . . . . . . . 6356 1 861 . 1 1 79 79 ILE HG21 H 1 0.938 0.042 . . . . . . . . . . 6356 1 862 . 1 1 79 79 ILE HG22 H 1 0.938 0.042 . . . . . . . . . . 6356 1 863 . 1 1 79 79 ILE HG23 H 1 0.938 0.042 . . . . . . . . . . 6356 1 864 . 1 1 79 79 ILE CG2 C 13 17.504 0.034 . . . . . . . . . . 6356 1 865 . 1 1 79 79 ILE CG1 C 13 27.089 0.019 . . . . . . . . . . 6356 1 866 . 1 1 79 79 ILE HG12 H 1 1.222 0.044 . . . . . . . . . . 6356 1 867 . 1 1 79 79 ILE HD11 H 1 0.628 0.026 . . . . . . . . . . 6356 1 868 . 1 1 79 79 ILE HD12 H 1 0.628 0.026 . . . . . . . . . . 6356 1 869 . 1 1 79 79 ILE HD13 H 1 0.628 0.026 . . . . . . . . . . 6356 1 870 . 1 1 79 79 ILE CD1 C 13 12.675 0.232 . . . . . . . . . . 6356 1 871 . 1 1 79 79 ILE C C 13 174.517 0.000 . . . . . . . . . . 6356 1 872 . 1 1 80 80 TRP N N 15 131.933 0.013 . . . . . . . . . . 6356 1 873 . 1 1 80 80 TRP H H 1 9.856 0.013 . . . . . . . . . . 6356 1 874 . 1 1 80 80 TRP CA C 13 54.972 0.026 . . . . . . . . . . 6356 1 875 . 1 1 80 80 TRP HA H 1 5.751 0.018 . . . . . . . . . . 6356 1 876 . 1 1 80 80 TRP CB C 13 31.075 0.008 . . . . . . . . . . 6356 1 877 . 1 1 80 80 TRP HB2 H 1 3.574 0.018 . . . . . . . . . . 6356 1 878 . 1 1 80 80 TRP HB3 H 1 3.417 0.030 . . . . . . . . . . 6356 1 879 . 1 1 80 80 TRP CD1 C 13 132.346 0.000 . . . . . . . . . . 6356 1 880 . 1 1 80 80 TRP NE1 N 15 128.161 0.020 . . . . . . . . . . 6356 1 881 . 1 1 80 80 TRP HD1 H 1 6.789 0.021 . . . . . . . . . . 6356 1 882 . 1 1 80 80 TRP HE1 H 1 9.254 0.014 . . . . . . . . . . 6356 1 883 . 1 1 80 80 TRP C C 13 173.363 0.000 . . . . . . . . . . 6356 1 884 . 1 1 81 81 LEU N N 15 122.411 0.008 . . . . . . . . . . 6356 1 885 . 1 1 81 81 LEU H H 1 8.802 0.016 . . . . . . . . . . 6356 1 886 . 1 1 81 81 LEU CA C 13 53.828 0.299 . . . . . . . . . . 6356 1 887 . 1 1 81 81 LEU HA H 1 5.197 0.062 . . . . . . . . . . 6356 1 888 . 1 1 81 81 LEU CB C 13 48.658 0.219 . . . . . . . . . . 6356 1 889 . 1 1 81 81 LEU HB2 H 1 1.976 0.056 . . . . . . . . . . 6356 1 890 . 1 1 81 81 LEU CG C 13 27.361 0.002 . . . . . . . . . . 6356 1 891 . 1 1 81 81 LEU HG H 1 1.570 0.039 . . . . . . . . . . 6356 1 892 . 1 1 81 81 LEU HD11 H 1 1.008 0.036 . . . . . . . . . . 6356 1 893 . 1 1 81 81 LEU HD12 H 1 1.008 0.036 . . . . . . . . . . 6356 1 894 . 1 1 81 81 LEU HD13 H 1 1.008 0.036 . . . . . . . . . . 6356 1 895 . 1 1 81 81 LEU HD21 H 1 0.847 0.026 . . . . . . . . . . 6356 1 896 . 1 1 81 81 LEU HD22 H 1 0.847 0.026 . . . . . . . . . . 6356 1 897 . 1 1 81 81 LEU HD23 H 1 0.847 0.026 . . . . . . . . . . 6356 1 898 . 1 1 81 81 LEU CD1 C 13 24.872 0.000 . . . . . . . . . . 6356 1 899 . 1 1 81 81 LEU CD2 C 13 23.629 0.000 . . . . . . . . . . 6356 1 900 . 1 1 81 81 LEU C C 13 174.710 0.000 . . . . . . . . . . 6356 1 901 . 1 1 82 82 ALA N N 15 130.662 0.089 . . . . . . . . . . 6356 1 902 . 1 1 82 82 ALA H H 1 9.219 0.021 . . . . . . . . . . 6356 1 903 . 1 1 82 82 ALA CA C 13 51.950 0.133 . . . . . . . . . . 6356 1 904 . 1 1 82 82 ALA HA H 1 4.508 0.078 . . . . . . . . . . 6356 1 905 . 1 1 82 82 ALA HB1 H 1 1.408 0.029 . . . . . . . . . . 6356 1 906 . 1 1 82 82 ALA HB2 H 1 1.408 0.029 . . . . . . . . . . 6356 1 907 . 1 1 82 82 ALA HB3 H 1 1.408 0.029 . . . . . . . . . . 6356 1 908 . 1 1 82 82 ALA CB C 13 19.275 0.020 . . . . . . . . . . 6356 1 909 . 1 1 82 82 ALA C C 13 175.444 0.000 . . . . . . . . . . 6356 1 910 . 1 1 83 83 SER N N 15 117.699 0.181 . . . . . . . . . . 6356 1 911 . 1 1 83 83 SER H H 1 7.213 0.011 . . . . . . . . . . 6356 1 912 . 1 1 83 83 SER CA C 13 51.434 0.100 . . . . . . . . . . 6356 1 913 . 1 1 83 83 SER HA H 1 4.790 0.054 . . . . . . . . . . 6356 1 914 . 1 1 83 83 SER CB C 13 63.406 0.128 . . . . . . . . . . 6356 1 915 . 1 1 83 83 SER HB2 H 1 3.983 0.045 . . . . . . . . . . 6356 1 916 . 1 1 84 84 PRO CD C 13 50.950 0.260 . . . . . . . . . . 6356 1 917 . 1 1 84 84 PRO CA C 13 63.392 0.271 . . . . . . . . . . 6356 1 918 . 1 1 84 84 PRO HA H 1 4.474 0.031 . . . . . . . . . . 6356 1 919 . 1 1 84 84 PRO CB C 13 32.282 0.280 . . . . . . . . . . 6356 1 920 . 1 1 84 84 PRO HB2 H 1 2.443 0.051 . . . . . . . . . . 6356 1 921 . 1 1 84 84 PRO HB3 H 1 2.193 0.105 . . . . . . . . . . 6356 1 922 . 1 1 84 84 PRO CG C 13 28.100 0.130 . . . . . . . . . . 6356 1 923 . 1 1 84 84 PRO HG2 H 1 2.004 0.021 . . . . . . . . . . 6356 1 924 . 1 1 84 84 PRO HD2 H 1 4.005 0.034 . . . . . . . . . . 6356 1 925 . 1 1 84 84 PRO HD3 H 1 3.843 0.056 . . . . . . . . . . 6356 1 926 . 1 1 84 84 PRO C C 13 179.990 0.000 . . . . . . . . . . 6356 1 927 . 1 1 85 85 LEU N N 15 120.828 0.127 . . . . . . . . . . 6356 1 928 . 1 1 85 85 LEU H H 1 7.831 0.015 . . . . . . . . . . 6356 1 929 . 1 1 85 85 LEU CA C 13 56.424 0.279 . . . . . . . . . . 6356 1 930 . 1 1 85 85 LEU HA H 1 4.339 0.018 . . . . . . . . . . 6356 1 931 . 1 1 85 85 LEU CB C 13 43.026 0.201 . . . . . . . . . . 6356 1 932 . 1 1 85 85 LEU HB2 H 1 2.023 0.062 . . . . . . . . . . 6356 1 933 . 1 1 85 85 LEU CG C 13 24.143 0.526 . . . . . . . . . . 6356 1 934 . 1 1 85 85 LEU HG H 1 1.625 0.139 . . . . . . . . . . 6356 1 935 . 1 1 85 85 LEU HD11 H 1 1.054 0.086 . . . . . . . . . . 6356 1 936 . 1 1 85 85 LEU HD12 H 1 1.054 0.086 . . . . . . . . . . 6356 1 937 . 1 1 85 85 LEU HD13 H 1 1.054 0.086 . . . . . . . . . . 6356 1 938 . 1 1 85 85 LEU HD21 H 1 0.955 0.039 . . . . . . . . . . 6356 1 939 . 1 1 85 85 LEU HD22 H 1 0.955 0.039 . . . . . . . . . . 6356 1 940 . 1 1 85 85 LEU HD23 H 1 0.955 0.039 . . . . . . . . . . 6356 1 941 . 1 1 85 85 LEU CD1 C 13 23.687 0.490 . . . . . . . . . . 6356 1 942 . 1 1 85 85 LEU CD2 C 13 21.220 0.130 . . . . . . . . . . 6356 1 943 . 1 1 85 85 LEU C C 13 177.822 0.000 . . . . . . . . . . 6356 1 944 . 1 1 86 86 SER N N 15 111.617 0.090 . . . . . . . . . . 6356 1 945 . 1 1 86 86 SER H H 1 8.210 0.012 . . . . . . . . . . 6356 1 946 . 1 1 86 86 SER CA C 13 57.363 0.014 . . . . . . . . . . 6356 1 947 . 1 1 86 86 SER HA H 1 4.445 0.003 . . . . . . . . . . 6356 1 948 . 1 1 86 86 SER CB C 13 63.837 0.278 . . . . . . . . . . 6356 1 949 . 1 1 86 86 SER HB2 H 1 4.072 0.017 . . . . . . . . . . 6356 1 950 . 1 1 86 86 SER C C 13 175.829 0.000 . . . . . . . . . . 6356 1 951 . 1 1 87 87 GLY N N 15 114.215 0.000 . . . . . . . . . . 6356 1 952 . 1 1 87 87 GLY H H 1 8.064 0.012 . . . . . . . . . . 6356 1 953 . 1 1 87 87 GLY CA C 13 45.201 0.109 . . . . . . . . . . 6356 1 954 . 1 1 87 87 GLY HA2 H 1 4.399 0.013 . . . . . . . . . . 6356 1 955 . 1 1 87 87 GLY HA3 H 1 3.932 0.059 . . . . . . . . . . 6356 1 956 . 1 1 88 88 PRO CD C 13 50.855 0.147 . . . . . . . . . . 6356 1 957 . 1 1 88 88 PRO CA C 13 62.927 0.076 . . . . . . . . . . 6356 1 958 . 1 1 88 88 PRO HA H 1 4.352 0.034 . . . . . . . . . . 6356 1 959 . 1 1 88 88 PRO CB C 13 31.985 0.071 . . . . . . . . . . 6356 1 960 . 1 1 88 88 PRO HB2 H 1 2.273 0.025 . . . . . . . . . . 6356 1 961 . 1 1 88 88 PRO HB3 H 1 2.001 0.015 . . . . . . . . . . 6356 1 962 . 1 1 88 88 PRO CG C 13 27.363 0.013 . . . . . . . . . . 6356 1 963 . 1 1 88 88 PRO HG2 H 1 2.058 0.048 . . . . . . . . . . 6356 1 964 . 1 1 88 88 PRO HD2 H 1 3.901 0.014 . . . . . . . . . . 6356 1 965 . 1 1 88 88 PRO HD3 H 1 3.684 0.033 . . . . . . . . . . 6356 1 966 . 1 1 88 88 PRO C C 13 176.969 0.000 . . . . . . . . . . 6356 1 967 . 1 1 89 89 ASN N N 15 123.167 0.287 . . . . . . . . . . 6356 1 968 . 1 1 89 89 ASN H H 1 8.196 0.025 . . . . . . . . . . 6356 1 969 . 1 1 89 89 ASN CA C 13 57.430 0.374 . . . . . . . . . . 6356 1 970 . 1 1 89 89 ASN HA H 1 4.263 0.010 . . . . . . . . . . 6356 1 971 . 1 1 89 89 ASN CB C 13 38.670 0.151 . . . . . . . . . . 6356 1 972 . 1 1 89 89 ASN HB2 H 1 3.013 0.041 . . . . . . . . . . 6356 1 973 . 1 1 89 89 ASN C C 13 176.441 0.000 . . . . . . . . . . 6356 1 974 . 1 1 90 90 ARG N N 15 122.714 0.021 . . . . . . . . . . 6356 1 975 . 1 1 90 90 ARG H H 1 8.131 0.037 . . . . . . . . . . 6356 1 976 . 1 1 90 90 ARG CA C 13 55.475 0.170 . . . . . . . . . . 6356 1 977 . 1 1 90 90 ARG HA H 1 4.316 0.069 . . . . . . . . . . 6356 1 978 . 1 1 90 90 ARG CB C 13 33.202 0.153 . . . . . . . . . . 6356 1 979 . 1 1 90 90 ARG HB2 H 1 1.731 0.096 . . . . . . . . . . 6356 1 980 . 1 1 90 90 ARG CG C 13 24.755 0.244 . . . . . . . . . . 6356 1 981 . 1 1 90 90 ARG HG2 H 1 1.527 0.030 . . . . . . . . . . 6356 1 982 . 1 1 90 90 ARG CD C 13 43.548 0.068 . . . . . . . . . . 6356 1 983 . 1 1 90 90 ARG HD2 H 1 3.129 0.086 . . . . . . . . . . 6356 1 984 . 1 1 90 90 ARG C C 13 175.024 0.000 . . . . . . . . . . 6356 1 985 . 1 1 91 91 PHE N N 15 122.067 0.053 . . . . . . . . . . 6356 1 986 . 1 1 91 91 PHE H H 1 9.349 0.012 . . . . . . . . . . 6356 1 987 . 1 1 91 91 PHE CA C 13 58.670 0.044 . . . . . . . . . . 6356 1 988 . 1 1 91 91 PHE HA H 1 4.739 0.026 . . . . . . . . . . 6356 1 989 . 1 1 91 91 PHE CB C 13 41.597 0.045 . . . . . . . . . . 6356 1 990 . 1 1 91 91 PHE HB2 H 1 3.322 0.017 . . . . . . . . . . 6356 1 991 . 1 1 91 91 PHE HB3 H 1 3.111 0.030 . . . . . . . . . . 6356 1 992 . 1 1 91 91 PHE HD1 H 1 7.290 0.012 . . . . . . . . . . 6356 1 993 . 1 1 91 91 PHE HE1 H 1 7.643 0.018 . . . . . . . . . . 6356 1 994 . 1 1 91 91 PHE HZ H 1 6.782 0.014 . . . . . . . . . . 6356 1 995 . 1 1 91 91 PHE HE2 H 1 7.071 0.037 . . . . . . . . . . 6356 1 996 . 1 1 91 91 PHE HD2 H 1 6.830 0.023 . . . . . . . . . . 6356 1 997 . 1 1 91 91 PHE C C 13 173.888 0.000 . . . . . . . . . . 6356 1 998 . 1 1 92 92 ASP N N 15 126.542 0.104 . . . . . . . . . . 6356 1 999 . 1 1 92 92 ASP H H 1 9.376 0.011 . . . . . . . . . . 6356 1 1000 . 1 1 92 92 ASP CA C 13 53.536 0.018 . . . . . . . . . . 6356 1 1001 . 1 1 92 92 ASP HA H 1 5.380 0.010 . . . . . . . . . . 6356 1 1002 . 1 1 92 92 ASP CB C 13 46.372 0.007 . . . . . . . . . . 6356 1 1003 . 1 1 92 92 ASP HB2 H 1 2.595 0.027 . . . . . . . . . . 6356 1 1004 . 1 1 92 92 ASP HB3 H 1 2.438 0.023 . . . . . . . . . . 6356 1 1005 . 1 1 92 92 ASP C C 13 173.696 0.000 . . . . . . . . . . 6356 1 1006 . 1 1 93 93 LEU N N 15 124.100 0.014 . . . . . . . . . . 6356 1 1007 . 1 1 93 93 LEU H H 1 8.578 0.015 . . . . . . . . . . 6356 1 1008 . 1 1 93 93 LEU CA C 13 53.782 0.055 . . . . . . . . . . 6356 1 1009 . 1 1 93 93 LEU HA H 1 3.783 0.020 . . . . . . . . . . 6356 1 1010 . 1 1 93 93 LEU CB C 13 40.571 0.264 . . . . . . . . . . 6356 1 1011 . 1 1 93 93 LEU HB2 H 1 1.702 0.036 . . . . . . . . . . 6356 1 1012 . 1 1 93 93 LEU CG C 13 26.227 0.217 . . . . . . . . . . 6356 1 1013 . 1 1 93 93 LEU HG H 1 1.486 0.057 . . . . . . . . . . 6356 1 1014 . 1 1 93 93 LEU HD11 H 1 0.900 0.078 . . . . . . . . . . 6356 1 1015 . 1 1 93 93 LEU HD12 H 1 0.900 0.078 . . . . . . . . . . 6356 1 1016 . 1 1 93 93 LEU HD13 H 1 0.900 0.078 . . . . . . . . . . 6356 1 1017 . 1 1 93 93 LEU HD21 H 1 0.794 0.061 . . . . . . . . . . 6356 1 1018 . 1 1 93 93 LEU HD22 H 1 0.794 0.061 . . . . . . . . . . 6356 1 1019 . 1 1 93 93 LEU HD23 H 1 0.794 0.061 . . . . . . . . . . 6356 1 1020 . 1 1 93 93 LEU CD1 C 13 25.183 0.000 . . . . . . . . . . 6356 1 1021 . 1 1 93 93 LEU CD2 C 13 23.629 0.000 . . . . . . . . . . 6356 1 1022 . 1 1 93 93 LEU C C 13 174.832 0.000 . . . . . . . . . . 6356 1 1023 . 1 1 94 94 LEU N N 15 129.767 0.016 . . . . . . . . . . 6356 1 1024 . 1 1 94 94 LEU H H 1 8.884 0.015 . . . . . . . . . . 6356 1 1025 . 1 1 94 94 LEU CA C 13 53.464 0.060 . . . . . . . . . . 6356 1 1026 . 1 1 94 94 LEU HA H 1 4.499 0.037 . . . . . . . . . . 6356 1 1027 . 1 1 94 94 LEU CB C 13 44.702 0.142 . . . . . . . . . . 6356 1 1028 . 1 1 94 94 LEU HB2 H 1 1.591 0.053 . . . . . . . . . . 6356 1 1029 . 1 1 94 94 LEU CG C 13 27.211 0.160 . . . . . . . . . . 6356 1 1030 . 1 1 94 94 LEU HG H 1 1.369 0.166 . . . . . . . . . . 6356 1 1031 . 1 1 94 94 LEU HD11 H 1 1.003 0.045 . . . . . . . . . . 6356 1 1032 . 1 1 94 94 LEU HD12 H 1 1.003 0.045 . . . . . . . . . . 6356 1 1033 . 1 1 94 94 LEU HD13 H 1 1.003 0.045 . . . . . . . . . . 6356 1 1034 . 1 1 94 94 LEU HD21 H 1 0.912 0.037 . . . . . . . . . . 6356 1 1035 . 1 1 94 94 LEU HD22 H 1 0.912 0.037 . . . . . . . . . . 6356 1 1036 . 1 1 94 94 LEU HD23 H 1 0.912 0.037 . . . . . . . . . . 6356 1 1037 . 1 1 94 94 LEU CD1 C 13 25.198 0.046 . . . . . . . . . . 6356 1 1038 . 1 1 94 94 LEU CD2 C 13 24.567 0.305 . . . . . . . . . . 6356 1 1039 . 1 1 94 94 LEU C C 13 176.598 0.000 . . . . . . . . . . 6356 1 1040 . 1 1 95 95 ASN N N 15 127.500 0.029 . . . . . . . . . . 6356 1 1041 . 1 1 95 95 ASN H H 1 9.556 0.006 . . . . . . . . . . 6356 1 1042 . 1 1 95 95 ASN CA C 13 54.039 0.046 . . . . . . . . . . 6356 1 1043 . 1 1 95 95 ASN HA H 1 4.282 0.016 . . . . . . . . . . 6356 1 1044 . 1 1 95 95 ASN CB C 13 37.459 0.101 . . . . . . . . . . 6356 1 1045 . 1 1 95 95 ASN HB2 H 1 3.025 0.017 . . . . . . . . . . 6356 1 1046 . 1 1 95 95 ASN HB3 H 1 2.717 0.019 . . . . . . . . . . 6356 1 1047 . 1 1 95 95 ASN C C 13 175.619 0.000 . . . . . . . . . . 6356 1 1048 . 1 1 96 96 GLY N N 15 103.272 0.071 . . . . . . . . . . 6356 1 1049 . 1 1 96 96 GLY H H 1 8.242 0.007 . . . . . . . . . . 6356 1 1050 . 1 1 96 96 GLY CA C 13 45.862 0.197 . . . . . . . . . . 6356 1 1051 . 1 1 96 96 GLY HA2 H 1 3.964 0.074 . . . . . . . . . . 6356 1 1052 . 1 1 96 96 GLY HA3 H 1 3.606 0.138 . . . . . . . . . . 6356 1 1053 . 1 1 96 96 GLY C C 13 173.259 0.000 . . . . . . . . . . 6356 1 1054 . 1 1 97 97 GLU N N 15 120.366 0.024 . . . . . . . . . . 6356 1 1055 . 1 1 97 97 GLU H H 1 7.511 0.014 . . . . . . . . . . 6356 1 1056 . 1 1 97 97 GLU CA C 13 54.166 0.337 . . . . . . . . . . 6356 1 1057 . 1 1 97 97 GLU HA H 1 4.734 0.014 . . . . . . . . . . 6356 1 1058 . 1 1 97 97 GLU CB C 13 33.853 0.116 . . . . . . . . . . 6356 1 1059 . 1 1 97 97 GLU HB2 H 1 1.853 0.004 . . . . . . . . . . 6356 1 1060 . 1 1 97 97 GLU CG C 13 36.206 0.072 . . . . . . . . . . 6356 1 1061 . 1 1 97 97 GLU HG2 H 1 2.228 0.027 . . . . . . . . . . 6356 1 1062 . 1 1 97 97 GLU C C 13 173.521 0.000 . . . . . . . . . . 6356 1 1063 . 1 1 98 98 TRP N N 15 123.252 0.000 . . . . . . . . . . 6356 1 1064 . 1 1 98 98 TRP H H 1 7.986 0.010 . . . . . . . . . . 6356 1 1065 . 1 1 98 98 TRP CA C 13 56.380 0.065 . . . . . . . . . . 6356 1 1066 . 1 1 98 98 TRP HA H 1 5.168 0.017 . . . . . . . . . . 6356 1 1067 . 1 1 98 98 TRP CB C 13 28.092 0.341 . . . . . . . . . . 6356 1 1068 . 1 1 98 98 TRP HB2 H 1 3.802 0.059 . . . . . . . . . . 6356 1 1069 . 1 1 98 98 TRP NE1 N 15 129.194 0.098 . . . . . . . . . . 6356 1 1070 . 1 1 98 98 TRP HD1 H 1 7.116 0.008 . . . . . . . . . . 6356 1 1071 . 1 1 98 98 TRP HE1 H 1 9.724 0.004 . . . . . . . . . . 6356 1 1072 . 1 1 98 98 TRP C C 13 177.210 0.000 . . . . . . . . . . 6356 1 1073 . 1 1 99 99 VAL N N 15 128.016 0.046 . . . . . . . . . . 6356 1 1074 . 1 1 99 99 VAL H H 1 10.033 0.010 . . . . . . . . . . 6356 1 1075 . 1 1 99 99 VAL CA C 13 60.914 0.218 . . . . . . . . . . 6356 1 1076 . 1 1 99 99 VAL HA H 1 5.292 0.028 . . . . . . . . . . 6356 1 1077 . 1 1 99 99 VAL CB C 13 37.136 0.102 . . . . . . . . . . 6356 1 1078 . 1 1 99 99 VAL HB H 1 1.925 0.032 . . . . . . . . . . 6356 1 1079 . 1 1 99 99 VAL HG11 H 1 0.971 0.043 . . . . . . . . . . 6356 1 1080 . 1 1 99 99 VAL HG12 H 1 0.971 0.043 . . . . . . . . . . 6356 1 1081 . 1 1 99 99 VAL HG13 H 1 0.971 0.043 . . . . . . . . . . 6356 1 1082 . 1 1 99 99 VAL HG21 H 1 0.868 0.050 . . . . . . . . . . 6356 1 1083 . 1 1 99 99 VAL HG22 H 1 0.868 0.050 . . . . . . . . . . 6356 1 1084 . 1 1 99 99 VAL HG23 H 1 0.868 0.050 . . . . . . . . . . 6356 1 1085 . 1 1 99 99 VAL CG1 C 13 21.453 0.000 . . . . . . . . . . 6356 1 1086 . 1 1 99 99 VAL CG2 C 13 20.779 0.241 . . . . . . . . . . 6356 1 1087 . 1 1 99 99 VAL C C 13 174.535 0.000 . . . . . . . . . . 6356 1 1088 . 1 1 100 100 SER N N 15 122.531 0.009 . . . . . . . . . . 6356 1 1089 . 1 1 100 100 SER H H 1 9.292 0.015 . . . . . . . . . . 6356 1 1090 . 1 1 100 100 SER CA C 13 56.001 0.234 . . . . . . . . . . 6356 1 1091 . 1 1 100 100 SER HA H 1 4.998 0.012 . . . . . . . . . . 6356 1 1092 . 1 1 100 100 SER CB C 13 63.122 0.124 . . . . . . . . . . 6356 1 1093 . 1 1 100 100 SER HB2 H 1 4.020 0.012 . . . . . . . . . . 6356 1 1094 . 1 1 100 100 SER HB3 H 1 3.265 0.018 . . . . . . . . . . 6356 1 1095 . 1 1 100 100 SER C C 13 177.297 0.000 . . . . . . . . . . 6356 1 1096 . 1 1 101 101 LEU N N 15 132.779 0.021 . . . . . . . . . . 6356 1 1097 . 1 1 101 101 LEU H H 1 9.758 0.005 . . . . . . . . . . 6356 1 1098 . 1 1 101 101 LEU CA C 13 56.464 0.429 . . . . . . . . . . 6356 1 1099 . 1 1 101 101 LEU HA H 1 4.259 0.065 . . . . . . . . . . 6356 1 1100 . 1 1 101 101 LEU CB C 13 41.364 0.565 . . . . . . . . . . 6356 1 1101 . 1 1 101 101 LEU HB2 H 1 1.770 0.027 . . . . . . . . . . 6356 1 1102 . 1 1 101 101 LEU HB3 H 1 1.599 0.036 . . . . . . . . . . 6356 1 1103 . 1 1 101 101 LEU CG C 13 26.689 0.165 . . . . . . . . . . 6356 1 1104 . 1 1 101 101 LEU HG H 1 1.655 0.031 . . . . . . . . . . 6356 1 1105 . 1 1 101 101 LEU HD11 H 1 0.982 0.013 . . . . . . . . . . 6356 1 1106 . 1 1 101 101 LEU HD12 H 1 0.982 0.013 . . . . . . . . . . 6356 1 1107 . 1 1 101 101 LEU HD13 H 1 0.982 0.013 . . . . . . . . . . 6356 1 1108 . 1 1 101 101 LEU HD21 H 1 0.886 0.026 . . . . . . . . . . 6356 1 1109 . 1 1 101 101 LEU HD22 H 1 0.886 0.026 . . . . . . . . . . 6356 1 1110 . 1 1 101 101 LEU HD23 H 1 0.886 0.026 . . . . . . . . . . 6356 1 1111 . 1 1 101 101 LEU CD1 C 13 23.364 0.373 . . . . . . . . . . 6356 1 1112 . 1 1 101 101 LEU CD2 C 13 22.701 0.015 . . . . . . . . . . 6356 1 1113 . 1 1 101 101 LEU C C 13 178.119 0.000 . . . . . . . . . . 6356 1 1114 . 1 1 102 102 ARG N N 15 118.794 0.000 . . . . . . . . . . 6356 1 1115 . 1 1 102 102 ARG H H 1 8.045 0.010 . . . . . . . . . . 6356 1 1116 . 1 1 102 102 ARG CA C 13 58.132 0.020 . . . . . . . . . . 6356 1 1117 . 1 1 102 102 ARG HA H 1 4.191 0.014 . . . . . . . . . . 6356 1 1118 . 1 1 102 102 ARG CB C 13 30.095 0.425 . . . . . . . . . . 6356 1 1119 . 1 1 102 102 ARG HB2 H 1 1.778 0.026 . . . . . . . . . . 6356 1 1120 . 1 1 102 102 ARG HB3 H 1 1.654 0.034 . . . . . . . . . . 6356 1 1121 . 1 1 102 102 ARG CG C 13 26.900 0.015 . . . . . . . . . . 6356 1 1122 . 1 1 102 102 ARG HG2 H 1 1.536 0.023 . . . . . . . . . . 6356 1 1123 . 1 1 102 102 ARG CD C 13 42.894 0.250 . . . . . . . . . . 6356 1 1124 . 1 1 102 102 ARG HD2 H 1 3.140 0.048 . . . . . . . . . . 6356 1 1125 . 1 1 102 102 ARG C C 13 177.402 0.000 . . . . . . . . . . 6356 1 1126 . 1 1 103 103 ASN N N 15 113.012 0.012 . . . . . . . . . . 6356 1 1127 . 1 1 103 103 ASN H H 1 7.417 0.012 . . . . . . . . . . 6356 1 1128 . 1 1 103 103 ASN CA C 13 52.338 0.191 . . . . . . . . . . 6356 1 1129 . 1 1 103 103 ASN HA H 1 4.960 0.026 . . . . . . . . . . 6356 1 1130 . 1 1 103 103 ASN CB C 13 39.429 0.284 . . . . . . . . . . 6356 1 1131 . 1 1 103 103 ASN HB2 H 1 3.181 0.016 . . . . . . . . . . 6356 1 1132 . 1 1 103 103 ASN HB3 H 1 2.644 0.304 . . . . . . . . . . 6356 1 1133 . 1 1 103 103 ASN C C 13 176.266 0.000 . . . . . . . . . . 6356 1 1134 . 1 1 104 104 GLY N N 15 110.730 0.031 . . . . . . . . . . 6356 1 1135 . 1 1 104 104 GLY H H 1 8.481 0.013 . . . . . . . . . . 6356 1 1136 . 1 1 104 104 GLY CA C 13 46.391 0.037 . . . . . . . . . . 6356 1 1137 . 1 1 104 104 GLY HA2 H 1 4.176 0.015 . . . . . . . . . . 6356 1 1138 . 1 1 104 104 GLY HA3 H 1 3.825 0.015 . . . . . . . . . . 6356 1 1139 . 1 1 104 104 GLY C C 13 174.308 0.000 . . . . . . . . . . 6356 1 1140 . 1 1 105 105 THR N N 15 114.344 0.040 . . . . . . . . . . 6356 1 1141 . 1 1 105 105 THR H H 1 7.605 0.011 . . . . . . . . . . 6356 1 1142 . 1 1 105 105 THR CA C 13 62.737 0.061 . . . . . . . . . . 6356 1 1143 . 1 1 105 105 THR HA H 1 4.312 0.013 . . . . . . . . . . 6356 1 1144 . 1 1 105 105 THR CB C 13 70.427 0.236 . . . . . . . . . . 6356 1 1145 . 1 1 105 105 THR HB H 1 4.165 0.041 . . . . . . . . . . 6356 1 1146 . 1 1 105 105 THR HG21 H 1 1.274 0.061 . . . . . . . . . . 6356 1 1147 . 1 1 105 105 THR HG22 H 1 1.274 0.061 . . . . . . . . . . 6356 1 1148 . 1 1 105 105 THR HG23 H 1 1.274 0.061 . . . . . . . . . . 6356 1 1149 . 1 1 105 105 THR CG2 C 13 21.420 0.023 . . . . . . . . . . 6356 1 1150 . 1 1 105 105 THR C C 13 173.993 0.000 . . . . . . . . . . 6356 1 1151 . 1 1 106 106 LYS N N 15 124.940 0.004 . . . . . . . . . . 6356 1 1152 . 1 1 106 106 LYS H H 1 9.151 0.007 . . . . . . . . . . 6356 1 1153 . 1 1 106 106 LYS CA C 13 55.813 0.047 . . . . . . . . . . 6356 1 1154 . 1 1 106 106 LYS HA H 1 5.172 0.016 . . . . . . . . . . 6356 1 1155 . 1 1 106 106 LYS CB C 13 33.126 0.094 . . . . . . . . . . 6356 1 1156 . 1 1 106 106 LYS HB2 H 1 1.836 0.021 . . . . . . . . . . 6356 1 1157 . 1 1 106 106 LYS CG C 13 26.356 0.057 . . . . . . . . . . 6356 1 1158 . 1 1 106 106 LYS HG2 H 1 1.452 0.008 . . . . . . . . . . 6356 1 1159 . 1 1 106 106 LYS CD C 13 29.224 0.004 . . . . . . . . . . 6356 1 1160 . 1 1 106 106 LYS HD2 H 1 1.747 0.031 . . . . . . . . . . 6356 1 1161 . 1 1 106 106 LYS CE C 13 42.307 0.076 . . . . . . . . . . 6356 1 1162 . 1 1 106 106 LYS HE2 H 1 2.222 0.030 . . . . . . . . . . 6356 1 1163 . 1 1 106 106 LYS C C 13 176.913 0.000 . . . . . . . . . . 6356 1 1164 . 1 1 107 107 LEU N N 15 129.631 0.051 . . . . . . . . . . 6356 1 1165 . 1 1 107 107 LEU H H 1 7.328 0.027 . . . . . . . . . . 6356 1 1166 . 1 1 107 107 LEU CA C 13 58.784 0.218 . . . . . . . . . . 6356 1 1167 . 1 1 107 107 LEU HA H 1 4.366 0.073 . . . . . . . . . . 6356 1 1168 . 1 1 107 107 LEU CB C 13 40.321 0.281 . . . . . . . . . . 6356 1 1169 . 1 1 107 107 LEU HB2 H 1 1.758 0.045 . . . . . . . . . . 6356 1 1170 . 1 1 107 107 LEU CG C 13 27.092 0.022 . . . . . . . . . . 6356 1 1171 . 1 1 107 107 LEU HG H 1 1.625 0.048 . . . . . . . . . . 6356 1 1172 . 1 1 107 107 LEU HD11 H 1 1.013 0.019 . . . . . . . . . . 6356 1 1173 . 1 1 107 107 LEU HD12 H 1 1.013 0.019 . . . . . . . . . . 6356 1 1174 . 1 1 107 107 LEU HD13 H 1 1.013 0.019 . . . . . . . . . . 6356 1 1175 . 1 1 107 107 LEU HD21 H 1 0.880 0.027 . . . . . . . . . . 6356 1 1176 . 1 1 107 107 LEU HD22 H 1 0.880 0.027 . . . . . . . . . . 6356 1 1177 . 1 1 107 107 LEU HD23 H 1 0.880 0.027 . . . . . . . . . . 6356 1 1178 . 1 1 107 107 LEU CD1 C 13 25.268 0.282 . . . . . . . . . . 6356 1 1179 . 1 1 107 107 LEU CD2 C 13 23.622 0.022 . . . . . . . . . . 6356 1 1180 . 1 1 107 107 LEU C C 13 177.507 0.000 . . . . . . . . . . 6356 1 1181 . 1 1 108 108 THR N N 15 114.330 0.047 . . . . . . . . . . 6356 1 1182 . 1 1 108 108 THR H H 1 9.386 0.005 . . . . . . . . . . 6356 1 1183 . 1 1 108 108 THR CA C 13 66.413 0.288 . . . . . . . . . . 6356 1 1184 . 1 1 108 108 THR HA H 1 4.170 0.037 . . . . . . . . . . 6356 1 1185 . 1 1 108 108 THR CB C 13 70.076 0.433 . . . . . . . . . . 6356 1 1186 . 1 1 108 108 THR HB H 1 3.836 0.124 . . . . . . . . . . 6356 1 1187 . 1 1 108 108 THR HG21 H 1 1.244 0.060 . . . . . . . . . . 6356 1 1188 . 1 1 108 108 THR HG22 H 1 1.244 0.060 . . . . . . . . . . 6356 1 1189 . 1 1 108 108 THR HG23 H 1 1.244 0.060 . . . . . . . . . . 6356 1 1190 . 1 1 108 108 THR CG2 C 13 22.639 0.115 . . . . . . . . . . 6356 1 1191 . 1 1 108 108 THR C C 13 176.388 0.000 . . . . . . . . . . 6356 1 1192 . 1 1 109 109 ASP N N 15 122.293 0.016 . . . . . . . . . . 6356 1 1193 . 1 1 109 109 ASP H H 1 6.863 0.018 . . . . . . . . . . 6356 1 1194 . 1 1 109 109 ASP CA C 13 57.436 0.025 . . . . . . . . . . 6356 1 1195 . 1 1 109 109 ASP HA H 1 4.411 0.013 . . . . . . . . . . 6356 1 1196 . 1 1 109 109 ASP CB C 13 40.050 0.032 . . . . . . . . . . 6356 1 1197 . 1 1 109 109 ASP HB2 H 1 2.991 0.014 . . . . . . . . . . 6356 1 1198 . 1 1 109 109 ASP HB3 H 1 2.824 0.019 . . . . . . . . . . 6356 1 1199 . 1 1 109 109 ASP C C 13 178.206 0.000 . . . . . . . . . . 6356 1 1200 . 1 1 110 110 ILE N N 15 122.777 0.026 . . . . . . . . . . 6356 1 1201 . 1 1 110 110 ILE H H 1 7.964 0.016 . . . . . . . . . . 6356 1 1202 . 1 1 110 110 ILE CA C 13 64.318 0.188 . . . . . . . . . . 6356 1 1203 . 1 1 110 110 ILE HA H 1 4.121 0.072 . . . . . . . . . . 6356 1 1204 . 1 1 110 110 ILE CB C 13 38.363 0.152 . . . . . . . . . . 6356 1 1205 . 1 1 110 110 ILE HB H 1 1.818 0.027 . . . . . . . . . . 6356 1 1206 . 1 1 110 110 ILE HG21 H 1 0.958 0.034 . . . . . . . . . . 6356 1 1207 . 1 1 110 110 ILE HG22 H 1 0.958 0.034 . . . . . . . . . . 6356 1 1208 . 1 1 110 110 ILE HG23 H 1 0.958 0.034 . . . . . . . . . . 6356 1 1209 . 1 1 110 110 ILE CG2 C 13 17.060 0.144 . . . . . . . . . . 6356 1 1210 . 1 1 110 110 ILE CG1 C 13 27.154 0.102 . . . . . . . . . . 6356 1 1211 . 1 1 110 110 ILE HG12 H 1 1.284 0.029 . . . . . . . . . . 6356 1 1212 . 1 1 110 110 ILE HD11 H 1 0.641 0.017 . . . . . . . . . . 6356 1 1213 . 1 1 110 110 ILE HD12 H 1 0.641 0.017 . . . . . . . . . . 6356 1 1214 . 1 1 110 110 ILE HD13 H 1 0.641 0.017 . . . . . . . . . . 6356 1 1215 . 1 1 110 110 ILE CD1 C 13 13.049 0.396 . . . . . . . . . . 6356 1 1216 . 1 1 110 110 ILE C C 13 177.332 0.000 . . . . . . . . . . 6356 1 1217 . 1 1 111 111 LEU N N 15 120.263 0.067 . . . . . . . . . . 6356 1 1218 . 1 1 111 111 LEU H H 1 7.945 0.017 . . . . . . . . . . 6356 1 1219 . 1 1 111 111 LEU CA C 13 58.277 0.263 . . . . . . . . . . 6356 1 1220 . 1 1 111 111 LEU HA H 1 4.011 0.043 . . . . . . . . . . 6356 1 1221 . 1 1 111 111 LEU CB C 13 42.242 0.018 . . . . . . . . . . 6356 1 1222 . 1 1 111 111 LEU HB2 H 1 1.683 0.018 . . . . . . . . . . 6356 1 1223 . 1 1 111 111 LEU HB3 H 1 1.417 0.016 . . . . . . . . . . 6356 1 1224 . 1 1 111 111 LEU CG C 13 26.286 0.309 . . . . . . . . . . 6356 1 1225 . 1 1 111 111 LEU HG H 1 1.488 0.037 . . . . . . . . . . 6356 1 1226 . 1 1 111 111 LEU HD11 H 1 1.024 0.067 . . . . . . . . . . 6356 1 1227 . 1 1 111 111 LEU HD12 H 1 1.024 0.067 . . . . . . . . . . 6356 1 1228 . 1 1 111 111 LEU HD13 H 1 1.024 0.067 . . . . . . . . . . 6356 1 1229 . 1 1 111 111 LEU HD21 H 1 0.859 0.039 . . . . . . . . . . 6356 1 1230 . 1 1 111 111 LEU HD22 H 1 0.859 0.039 . . . . . . . . . . 6356 1 1231 . 1 1 111 111 LEU HD23 H 1 0.859 0.039 . . . . . . . . . . 6356 1 1232 . 1 1 111 111 LEU CD1 C 13 25.509 0.124 . . . . . . . . . . 6356 1 1233 . 1 1 111 111 LEU CD2 C 13 24.403 0.201 . . . . . . . . . . 6356 1 1234 . 1 1 111 111 LEU C C 13 178.661 0.000 . . . . . . . . . . 6356 1 1235 . 1 1 112 112 THR N N 15 114.335 0.000 . . . . . . . . . . 6356 1 1236 . 1 1 112 112 THR H H 1 8.125 0.013 . . . . . . . . . . 6356 1 1237 . 1 1 112 112 THR CA C 13 67.251 0.102 . . . . . . . . . . 6356 1 1238 . 1 1 112 112 THR HA H 1 4.267 0.045 . . . . . . . . . . 6356 1 1239 . 1 1 112 112 THR CB C 13 68.339 0.394 . . . . . . . . . . 6356 1 1240 . 1 1 112 112 THR HB H 1 3.756 0.021 . . . . . . . . . . 6356 1 1241 . 1 1 112 112 THR HG21 H 1 1.223 0.027 . . . . . . . . . . 6356 1 1242 . 1 1 112 112 THR HG22 H 1 1.223 0.027 . . . . . . . . . . 6356 1 1243 . 1 1 112 112 THR HG23 H 1 1.223 0.027 . . . . . . . . . . 6356 1 1244 . 1 1 112 112 THR CG2 C 13 21.188 0.108 . . . . . . . . . . 6356 1 1245 . 1 1 112 112 THR C C 13 179.151 0.000 . . . . . . . . . . 6356 1 1246 . 1 1 113 113 GLU N N 15 122.114 0.239 . . . . . . . . . . 6356 1 1247 . 1 1 113 113 GLU H H 1 8.030 0.013 . . . . . . . . . . 6356 1 1248 . 1 1 113 113 GLU CA C 13 59.242 0.132 . . . . . . . . . . 6356 1 1249 . 1 1 113 113 GLU HA H 1 4.021 0.034 . . . . . . . . . . 6356 1 1250 . 1 1 113 113 GLU CB C 13 29.676 0.002 . . . . . . . . . . 6356 1 1251 . 1 1 113 113 GLU HB2 H 1 2.063 0.009 . . . . . . . . . . 6356 1 1252 . 1 1 113 113 GLU CG C 13 36.379 0.018 . . . . . . . . . . 6356 1 1253 . 1 1 113 113 GLU HG2 H 1 2.405 0.008 . . . . . . . . . . 6356 1 1254 . 1 1 113 113 GLU HG3 H 1 2.218 0.015 . . . . . . . . . . 6356 1 1255 . 1 1 113 113 GLU C C 13 179.553 0.000 . . . . . . . . . . 6356 1 1256 . 1 1 114 114 GLU N N 15 120.209 0.028 . . . . . . . . . . 6356 1 1257 . 1 1 114 114 GLU H H 1 8.241 0.007 . . . . . . . . . . 6356 1 1258 . 1 1 114 114 GLU CA C 13 61.318 0.062 . . . . . . . . . . 6356 1 1259 . 1 1 114 114 GLU HA H 1 3.912 0.012 . . . . . . . . . . 6356 1 1260 . 1 1 114 114 GLU CB C 13 28.530 0.207 . . . . . . . . . . 6356 1 1261 . 1 1 114 114 GLU HB2 H 1 2.037 0.018 . . . . . . . . . . 6356 1 1262 . 1 1 114 114 GLU CG C 13 37.328 0.197 . . . . . . . . . . 6356 1 1263 . 1 1 114 114 GLU HG2 H 1 2.216 0.030 . . . . . . . . . . 6356 1 1264 . 1 1 114 114 GLU C C 13 178.574 0.000 . . . . . . . . . . 6356 1 1265 . 1 1 115 115 VAL N N 15 120.254 0.054 . . . . . . . . . . 6356 1 1266 . 1 1 115 115 VAL H H 1 8.626 0.012 . . . . . . . . . . 6356 1 1267 . 1 1 115 115 VAL CA C 13 67.263 0.060 . . . . . . . . . . 6356 1 1268 . 1 1 115 115 VAL HA H 1 3.546 0.023 . . . . . . . . . . 6356 1 1269 . 1 1 115 115 VAL CB C 13 30.858 0.170 . . . . . . . . . . 6356 1 1270 . 1 1 115 115 VAL HB H 1 2.105 0.037 . . . . . . . . . . 6356 1 1271 . 1 1 115 115 VAL HG11 H 1 1.003 0.040 . . . . . . . . . . 6356 1 1272 . 1 1 115 115 VAL HG12 H 1 1.003 0.040 . . . . . . . . . . 6356 1 1273 . 1 1 115 115 VAL HG13 H 1 1.003 0.040 . . . . . . . . . . 6356 1 1274 . 1 1 115 115 VAL HG21 H 1 0.846 0.064 . . . . . . . . . . 6356 1 1275 . 1 1 115 115 VAL HG22 H 1 0.846 0.064 . . . . . . . . . . 6356 1 1276 . 1 1 115 115 VAL HG23 H 1 0.846 0.064 . . . . . . . . . . 6356 1 1277 . 1 1 115 115 VAL CG1 C 13 22.277 0.215 . . . . . . . . . . 6356 1 1278 . 1 1 115 115 VAL CG2 C 13 21.730 0.164 . . . . . . . . . . 6356 1 1279 . 1 1 115 115 VAL C C 13 178.434 0.000 . . . . . . . . . . 6356 1 1280 . 1 1 116 116 GLU N N 15 119.663 0.060 . . . . . . . . . . 6356 1 1281 . 1 1 116 116 GLU H H 1 8.245 0.013 . . . . . . . . . . 6356 1 1282 . 1 1 116 116 GLU CA C 13 60.066 0.030 . . . . . . . . . . 6356 1 1283 . 1 1 116 116 GLU HA H 1 3.900 0.018 . . . . . . . . . . 6356 1 1284 . 1 1 116 116 GLU CB C 13 28.704 0.081 . . . . . . . . . . 6356 1 1285 . 1 1 116 116 GLU HB2 H 1 2.190 0.029 . . . . . . . . . . 6356 1 1286 . 1 1 116 116 GLU HB3 H 1 2.037 0.012 . . . . . . . . . . 6356 1 1287 . 1 1 116 116 GLU CG C 13 36.946 0.000 . . . . . . . . . . 6356 1 1288 . 1 1 116 116 GLU HG2 H 1 2.477 0.021 . . . . . . . . . . 6356 1 1289 . 1 1 116 116 GLU C C 13 175.811 0.000 . . . . . . . . . . 6356 1 1290 . 1 1 117 117 LYS N N 15 120.998 0.036 . . . . . . . . . . 6356 1 1291 . 1 1 117 117 LYS H H 1 7.829 0.009 . . . . . . . . . . 6356 1 1292 . 1 1 117 117 LYS CA C 13 59.910 0.232 . . . . . . . . . . 6356 1 1293 . 1 1 117 117 LYS HA H 1 4.117 0.032 . . . . . . . . . . 6356 1 1294 . 1 1 117 117 LYS CB C 13 32.665 0.198 . . . . . . . . . . 6356 1 1295 . 1 1 117 117 LYS HB2 H 1 1.831 0.033 . . . . . . . . . . 6356 1 1296 . 1 1 117 117 LYS HB3 H 1 1.688 0.009 . . . . . . . . . . 6356 1 1297 . 1 1 117 117 LYS CG C 13 24.973 0.268 . . . . . . . . . . 6356 1 1298 . 1 1 117 117 LYS HG2 H 1 1.515 0.022 . . . . . . . . . . 6356 1 1299 . 1 1 117 117 LYS CD C 13 29.495 0.000 . . . . . . . . . . 6356 1 1300 . 1 1 117 117 LYS HD2 H 1 1.598 0.010 . . . . . . . . . . 6356 1 1301 . 1 1 117 117 LYS CE C 13 42.058 0.000 . . . . . . . . . . 6356 1 1302 . 1 1 117 117 LYS HE2 H 1 2.982 0.012 . . . . . . . . . . 6356 1 1303 . 1 1 117 117 LYS C C 13 175.304 0.000 . . . . . . . . . . 6356 1 1304 . 1 1 118 118 ALA N N 15 123.343 0.044 . . . . . . . . . . 6356 1 1305 . 1 1 118 118 ALA H H 1 7.995 0.018 . . . . . . . . . . 6356 1 1306 . 1 1 118 118 ALA CA C 13 55.344 0.358 . . . . . . . . . . 6356 1 1307 . 1 1 118 118 ALA HA H 1 4.121 0.021 . . . . . . . . . . 6356 1 1308 . 1 1 118 118 ALA HB1 H 1 1.327 0.029 . . . . . . . . . . 6356 1 1309 . 1 1 118 118 ALA HB2 H 1 1.327 0.029 . . . . . . . . . . 6356 1 1310 . 1 1 118 118 ALA HB3 H 1 1.327 0.029 . . . . . . . . . . 6356 1 1311 . 1 1 118 118 ALA CB C 13 18.737 0.080 . . . . . . . . . . 6356 1 1312 . 1 1 118 118 ALA C C 13 173.136 0.000 . . . . . . . . . . 6356 1 1313 . 1 1 119 119 ILE N N 15 117.603 0.052 . . . . . . . . . . 6356 1 1314 . 1 1 119 119 ILE H H 1 7.966 0.013 . . . . . . . . . . 6356 1 1315 . 1 1 119 119 ILE CA C 13 63.454 0.032 . . . . . . . . . . 6356 1 1316 . 1 1 119 119 ILE HA H 1 4.045 0.019 . . . . . . . . . . 6356 1 1317 . 1 1 119 119 ILE CB C 13 38.067 0.045 . . . . . . . . . . 6356 1 1318 . 1 1 119 119 ILE HB H 1 1.641 0.027 . . . . . . . . . . 6356 1 1319 . 1 1 119 119 ILE HG21 H 1 0.888 0.054 . . . . . . . . . . 6356 1 1320 . 1 1 119 119 ILE HG22 H 1 0.888 0.054 . . . . . . . . . . 6356 1 1321 . 1 1 119 119 ILE HG23 H 1 0.888 0.054 . . . . . . . . . . 6356 1 1322 . 1 1 119 119 ILE CG2 C 13 17.042 0.124 . . . . . . . . . . 6356 1 1323 . 1 1 119 119 ILE CG1 C 13 27.358 0.000 . . . . . . . . . . 6356 1 1324 . 1 1 119 119 ILE HG12 H 1 1.183 0.050 . . . . . . . . . . 6356 1 1325 . 1 1 119 119 ILE HD11 H 1 0.524 0.023 . . . . . . . . . . 6356 1 1326 . 1 1 119 119 ILE HD12 H 1 0.524 0.023 . . . . . . . . . . 6356 1 1327 . 1 1 119 119 ILE HD13 H 1 0.524 0.023 . . . . . . . . . . 6356 1 1328 . 1 1 119 119 ILE CD1 C 13 17.531 0.427 . . . . . . . . . . 6356 1 1329 . 1 1 119 119 ILE C C 13 177.874 0.000 . . . . . . . . . . 6356 1 1330 . 1 1 120 120 SER N N 15 117.233 0.021 . . . . . . . . . . 6356 1 1331 . 1 1 120 120 SER H H 1 7.969 0.007 . . . . . . . . . . 6356 1 1332 . 1 1 120 120 SER CA C 13 59.910 0.122 . . . . . . . . . . 6356 1 1333 . 1 1 120 120 SER HA H 1 4.291 0.035 . . . . . . . . . . 6356 1 1334 . 1 1 120 120 SER CB C 13 63.698 0.076 . . . . . . . . . . 6356 1 1335 . 1 1 120 120 SER HB2 H 1 3.983 0.018 . . . . . . . . . . 6356 1 1336 . 1 1 120 120 SER C C 13 175.077 0.000 . . . . . . . . . . 6356 1 1337 . 1 1 121 121 LYS N N 15 122.406 0.025 . . . . . . . . . . 6356 1 1338 . 1 1 121 121 LYS H H 1 7.805 0.016 . . . . . . . . . . 6356 1 1339 . 1 1 121 121 LYS CA C 13 56.485 0.358 . . . . . . . . . . 6356 1 1340 . 1 1 121 121 LYS HA H 1 4.317 0.020 . . . . . . . . . . 6356 1 1341 . 1 1 121 121 LYS CB C 13 32.650 0.362 . . . . . . . . . . 6356 1 1342 . 1 1 121 121 LYS HB2 H 1 1.914 0.091 . . . . . . . . . . 6356 1 1343 . 1 1 121 121 LYS HB3 H 1 1.727 0.014 . . . . . . . . . . 6356 1 1344 . 1 1 121 121 LYS CG C 13 24.672 0.167 . . . . . . . . . . 6356 1 1345 . 1 1 121 121 LYS HG2 H 1 1.491 0.030 . . . . . . . . . . 6356 1 1346 . 1 1 121 121 LYS CD C 13 28.918 0.020 . . . . . . . . . . 6356 1 1347 . 1 1 121 121 LYS HD2 H 1 1.691 0.030 . . . . . . . . . . 6356 1 1348 . 1 1 121 121 LYS CE C 13 42.292 0.070 . . . . . . . . . . 6356 1 1349 . 1 1 121 121 LYS HE2 H 1 3.047 0.042 . . . . . . . . . . 6356 1 1350 . 1 1 121 121 LYS C C 13 176.703 0.000 . . . . . . . . . . 6356 1 1351 . 1 1 122 122 SER N N 15 117.355 0.027 . . . . . . . . . . 6356 1 1352 . 1 1 122 122 SER H H 1 8.042 0.017 . . . . . . . . . . 6356 1 1353 . 1 1 122 122 SER CA C 13 58.742 0.232 . . . . . . . . . . 6356 1 1354 . 1 1 122 122 SER HA H 1 4.484 0.020 . . . . . . . . . . 6356 1 1355 . 1 1 122 122 SER CB C 13 64.161 0.060 . . . . . . . . . . 6356 1 1356 . 1 1 122 122 SER HB2 H 1 3.909 0.024 . . . . . . . . . . 6356 1 1357 . 1 1 122 122 SER HB3 H 1 3.684 0.013 . . . . . . . . . . 6356 1 1358 . 1 1 122 122 SER C C 13 173.643 0.000 . . . . . . . . . . 6356 1 1359 . 1 1 123 123 GLN N N 15 127.963 0.040 . . . . . . . . . . 6356 1 1360 . 1 1 123 123 GLN H H 1 7.866 0.008 . . . . . . . . . . 6356 1 1361 . 1 1 123 123 GLN CA C 13 57.448 0.223 . . . . . . . . . . 6356 1 1362 . 1 1 123 123 GLN HA H 1 4.303 0.037 . . . . . . . . . . 6356 1 1363 . 1 1 123 123 GLN CB C 13 30.219 0.257 . . . . . . . . . . 6356 1 1364 . 1 1 123 123 GLN HB2 H 1 2.153 0.024 . . . . . . . . . . 6356 1 1365 . 1 1 123 123 GLN HB3 H 1 2.005 0.022 . . . . . . . . . . 6356 1 1366 . 1 1 123 123 GLN CG C 13 34.331 0.203 . . . . . . . . . . 6356 1 1367 . 1 1 123 123 GLN HG2 H 1 2.400 0.021 . . . . . . . . . . 6356 1 1368 . 1 1 123 123 GLN HE21 H 1 7.385 0.000 . . . . . . . . . . 6356 1 1369 . 1 1 123 123 GLN HE22 H 1 6.559 0.000 . . . . . . . . . . 6356 1 stop_ save_