data_17352 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17352 _Entry.Title ; The structure of a domain from yeast ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-12-08 _Entry.Accession_date 2010-12-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _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 Wen Zhang . . . 17352 2 Jiahai Zhang . . . 17352 3 Xiaoming Tu . . . 17352 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17352 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'cell growth' . 17352 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17352 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 392 17352 '15N chemical shifts' 107 17352 '1H chemical shifts' 689 17352 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 . . 2011-05-13 2010-12-08 update BMRB 'update entry citation' 17352 1 . . 2011-03-30 2010-12-08 original author 'original release' 17352 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L7E 'BMRB Entry Tracking System' 17352 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17352 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21355849 _Citation.Full_citation . _Citation.Title 'Solution structure of the Taf14 YEATS domain and its roles in cell growth of Saccharomyces cerevisiae.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full 'The Biochemical journal' _Citation.Journal_volume 436 _Citation.Journal_issue 1 _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 83 _Citation.Page_last 90 _Citation.Year 2011 _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 Wen Zhang . . . 17352 1 2 Jiahai Zhang . . . 17352 1 3 Xuecheng Zhang . . . 17352 1 4 Chao Xu . . . 17352 1 5 Xiaoming Tu . . . 17352 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17352 _Assembly.ID 1 _Assembly.Name 'Taf14 YEATS domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Taf14 YEATS domain' 1 $a_domain A . yes native no no . . . 17352 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_a_domain _Entity.Sf_category entity _Entity.Sf_framecode a_domain _Entity.Entry_ID 17352 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name a_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MVATVKRTIRIKTQQHILPE VPPVENFPVRQWSIEIVLLD DEGKEIPATIFDKVIYHLHP TFANPNRTFTDPPFRIEEQG WGGFPLDISVFLLEKAGERK IPHDLNFLQESYEVEHVIQI PLNLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L7E . "The Structure Of A Domain From Yeast" . . . . . 100.00 131 100.00 100.00 2.75e-88 . . . . 17352 1 2 no PDB 3QRL . "Crystal Structure Of The Taf14 Yeats Domain" . . . . . 93.89 140 100.00 100.00 2.04e-82 . . . . 17352 1 3 no PDB 5D7E . "Crystal Structure Of Taf14 Yeats Domain In Complex With H3k9ac" . . . . . 93.89 140 100.00 100.00 1.15e-82 . . . . 17352 1 4 no DBJ GAA26845 . "K7_Taf14p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 93.89 244 100.00 100.00 3.06e-83 . . . . 17352 1 5 no EMBL CAA49192 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 87.02 235 99.12 99.12 5.67e-76 . . . . 17352 1 6 no EMBL CAA81125 . "Anc1p [Saccharomyces cerevisiae]" . . . . . 93.89 244 100.00 100.00 2.65e-83 . . . . 17352 1 7 no EMBL CAY86832 . "Taf14p [Saccharomyces cerevisiae EC1118]" . . . . . 93.89 244 100.00 100.00 2.65e-83 . . . . 17352 1 8 no GB AAA61644 . "transcription initiation factor TFIIF small subunit [Saccharomyces cerevisiae]" . . . . . 93.89 244 100.00 100.00 2.65e-83 . . . . 17352 1 9 no GB AAB68235 . "Ypl129wp [Saccharomyces cerevisiae]" . . . . . 93.89 244 100.00 100.00 2.65e-83 . . . . 17352 1 10 no GB AHY78050 . "Taf14p [Saccharomyces cerevisiae YJM993]" . . . . . 93.89 244 100.00 100.00 2.65e-83 . . . . 17352 1 11 no GB AJP42018 . "Taf14p [Saccharomyces cerevisiae YJM1078]" . . . . . 93.89 244 100.00 100.00 2.65e-83 . . . . 17352 1 12 no GB AJU23462 . "Taf14p [Saccharomyces cerevisiae YJM1526]" . . . . . 93.89 244 100.00 100.00 2.65e-83 . . . . 17352 1 13 no REF NP_015196 . "TATA-binding protein-associated factor TAF14 [Saccharomyces cerevisiae S288c]" . . . . . 93.89 244 100.00 100.00 2.65e-83 . . . . 17352 1 14 no SP P35189 . "RecName: Full=Transcription initiation factor TFIID subunit 14; AltName: Full=Actin non-complementing mutant 1; AltName: Full=C" . . . . . 93.89 244 100.00 100.00 2.65e-83 . . . . 17352 1 15 no TPG DAA11304 . "TPA: TATA-binding protein-associated factor TAF14 [Saccharomyces cerevisiae S288c]" . . . . . 93.89 244 100.00 100.00 2.65e-83 . . . . 17352 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 . 17352 1 2 . VAL . 17352 1 3 . ALA . 17352 1 4 . THR . 17352 1 5 . VAL . 17352 1 6 . LYS . 17352 1 7 . ARG . 17352 1 8 . THR . 17352 1 9 . ILE . 17352 1 10 . ARG . 17352 1 11 . ILE . 17352 1 12 . LYS . 17352 1 13 . THR . 17352 1 14 . GLN . 17352 1 15 . GLN . 17352 1 16 . HIS . 17352 1 17 . ILE . 17352 1 18 . LEU . 17352 1 19 . PRO . 17352 1 20 . GLU . 17352 1 21 . VAL . 17352 1 22 . PRO . 17352 1 23 . PRO . 17352 1 24 . VAL . 17352 1 25 . GLU . 17352 1 26 . ASN . 17352 1 27 . PHE . 17352 1 28 . PRO . 17352 1 29 . VAL . 17352 1 30 . ARG . 17352 1 31 . GLN . 17352 1 32 . TRP . 17352 1 33 . SER . 17352 1 34 . ILE . 17352 1 35 . GLU . 17352 1 36 . ILE . 17352 1 37 . VAL . 17352 1 38 . LEU . 17352 1 39 . LEU . 17352 1 40 . ASP . 17352 1 41 . ASP . 17352 1 42 . GLU . 17352 1 43 . GLY . 17352 1 44 . LYS . 17352 1 45 . GLU . 17352 1 46 . ILE . 17352 1 47 . PRO . 17352 1 48 . ALA . 17352 1 49 . THR . 17352 1 50 . ILE . 17352 1 51 . PHE . 17352 1 52 . ASP . 17352 1 53 . LYS . 17352 1 54 . VAL . 17352 1 55 . ILE . 17352 1 56 . TYR . 17352 1 57 . HIS . 17352 1 58 . LEU . 17352 1 59 . HIS . 17352 1 60 . PRO . 17352 1 61 . THR . 17352 1 62 . PHE . 17352 1 63 . ALA . 17352 1 64 . ASN . 17352 1 65 . PRO . 17352 1 66 . ASN . 17352 1 67 . ARG . 17352 1 68 . THR . 17352 1 69 . PHE . 17352 1 70 . THR . 17352 1 71 . ASP . 17352 1 72 . PRO . 17352 1 73 . PRO . 17352 1 74 . PHE . 17352 1 75 . ARG . 17352 1 76 . ILE . 17352 1 77 . GLU . 17352 1 78 . GLU . 17352 1 79 . GLN . 17352 1 80 . GLY . 17352 1 81 . TRP . 17352 1 82 . GLY . 17352 1 83 . GLY . 17352 1 84 . PHE . 17352 1 85 . PRO . 17352 1 86 . LEU . 17352 1 87 . ASP . 17352 1 88 . ILE . 17352 1 89 . SER . 17352 1 90 . VAL . 17352 1 91 . PHE . 17352 1 92 . LEU . 17352 1 93 . LEU . 17352 1 94 . GLU . 17352 1 95 . LYS . 17352 1 96 . ALA . 17352 1 97 . GLY . 17352 1 98 . GLU . 17352 1 99 . ARG . 17352 1 100 . LYS . 17352 1 101 . ILE . 17352 1 102 . PRO . 17352 1 103 . HIS . 17352 1 104 . ASP . 17352 1 105 . LEU . 17352 1 106 . ASN . 17352 1 107 . PHE . 17352 1 108 . LEU . 17352 1 109 . GLN . 17352 1 110 . GLU . 17352 1 111 . SER . 17352 1 112 . TYR . 17352 1 113 . GLU . 17352 1 114 . VAL . 17352 1 115 . GLU . 17352 1 116 . HIS . 17352 1 117 . VAL . 17352 1 118 . ILE . 17352 1 119 . GLN . 17352 1 120 . ILE . 17352 1 121 . PRO . 17352 1 122 . LEU . 17352 1 123 . ASN . 17352 1 124 . LEU . 17352 1 125 . GLU . 17352 1 126 . HIS . 17352 1 127 . HIS . 17352 1 128 . HIS . 17352 1 129 . HIS . 17352 1 130 . HIS . 17352 1 131 . HIS . 17352 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 17352 1 . VAL 2 2 17352 1 . ALA 3 3 17352 1 . THR 4 4 17352 1 . VAL 5 5 17352 1 . LYS 6 6 17352 1 . ARG 7 7 17352 1 . THR 8 8 17352 1 . ILE 9 9 17352 1 . ARG 10 10 17352 1 . ILE 11 11 17352 1 . LYS 12 12 17352 1 . THR 13 13 17352 1 . GLN 14 14 17352 1 . GLN 15 15 17352 1 . HIS 16 16 17352 1 . ILE 17 17 17352 1 . LEU 18 18 17352 1 . PRO 19 19 17352 1 . GLU 20 20 17352 1 . VAL 21 21 17352 1 . PRO 22 22 17352 1 . PRO 23 23 17352 1 . VAL 24 24 17352 1 . GLU 25 25 17352 1 . ASN 26 26 17352 1 . PHE 27 27 17352 1 . PRO 28 28 17352 1 . VAL 29 29 17352 1 . ARG 30 30 17352 1 . GLN 31 31 17352 1 . TRP 32 32 17352 1 . SER 33 33 17352 1 . ILE 34 34 17352 1 . GLU 35 35 17352 1 . ILE 36 36 17352 1 . VAL 37 37 17352 1 . LEU 38 38 17352 1 . LEU 39 39 17352 1 . ASP 40 40 17352 1 . ASP 41 41 17352 1 . GLU 42 42 17352 1 . GLY 43 43 17352 1 . LYS 44 44 17352 1 . GLU 45 45 17352 1 . ILE 46 46 17352 1 . PRO 47 47 17352 1 . ALA 48 48 17352 1 . THR 49 49 17352 1 . ILE 50 50 17352 1 . PHE 51 51 17352 1 . ASP 52 52 17352 1 . LYS 53 53 17352 1 . VAL 54 54 17352 1 . ILE 55 55 17352 1 . TYR 56 56 17352 1 . HIS 57 57 17352 1 . LEU 58 58 17352 1 . HIS 59 59 17352 1 . PRO 60 60 17352 1 . THR 61 61 17352 1 . PHE 62 62 17352 1 . ALA 63 63 17352 1 . ASN 64 64 17352 1 . PRO 65 65 17352 1 . ASN 66 66 17352 1 . ARG 67 67 17352 1 . THR 68 68 17352 1 . PHE 69 69 17352 1 . THR 70 70 17352 1 . ASP 71 71 17352 1 . PRO 72 72 17352 1 . PRO 73 73 17352 1 . PHE 74 74 17352 1 . ARG 75 75 17352 1 . ILE 76 76 17352 1 . GLU 77 77 17352 1 . GLU 78 78 17352 1 . GLN 79 79 17352 1 . GLY 80 80 17352 1 . TRP 81 81 17352 1 . GLY 82 82 17352 1 . GLY 83 83 17352 1 . PHE 84 84 17352 1 . PRO 85 85 17352 1 . LEU 86 86 17352 1 . ASP 87 87 17352 1 . ILE 88 88 17352 1 . SER 89 89 17352 1 . VAL 90 90 17352 1 . PHE 91 91 17352 1 . LEU 92 92 17352 1 . LEU 93 93 17352 1 . GLU 94 94 17352 1 . LYS 95 95 17352 1 . ALA 96 96 17352 1 . GLY 97 97 17352 1 . GLU 98 98 17352 1 . ARG 99 99 17352 1 . LYS 100 100 17352 1 . ILE 101 101 17352 1 . PRO 102 102 17352 1 . HIS 103 103 17352 1 . ASP 104 104 17352 1 . LEU 105 105 17352 1 . ASN 106 106 17352 1 . PHE 107 107 17352 1 . LEU 108 108 17352 1 . GLN 109 109 17352 1 . GLU 110 110 17352 1 . SER 111 111 17352 1 . TYR 112 112 17352 1 . GLU 113 113 17352 1 . VAL 114 114 17352 1 . GLU 115 115 17352 1 . HIS 116 116 17352 1 . VAL 117 117 17352 1 . ILE 118 118 17352 1 . GLN 119 119 17352 1 . ILE 120 120 17352 1 . PRO 121 121 17352 1 . LEU 122 122 17352 1 . ASN 123 123 17352 1 . LEU 124 124 17352 1 . GLU 125 125 17352 1 . HIS 126 126 17352 1 . HIS 127 127 17352 1 . HIS 128 128 17352 1 . HIS 129 129 17352 1 . HIS 130 130 17352 1 . HIS 131 131 17352 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 17352 _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 $a_domain . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 17352 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 17352 _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 $a_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet22b . . . . . . 17352 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17352 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 a_domain 'natural abundance' . . 1 $a_domain . . 0.7 . . mM . . . . 17352 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17352 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17352 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17352 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17352 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17352 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 a_domain 'natural abundance' . . 1 $a_domain . . 0.7 . . mM . . . . 17352 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17352 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17352 2 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17352 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17352 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.12 . M 17352 1 pH 6.7 . pH 17352 1 pressure 1 . atm 17352 1 temperature 298 . K 17352 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17352 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17352 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17352 1 'chemical shift calculation' 17352 1 'data analysis' 17352 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17352 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17352 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 500 . . . 17352 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 17352 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17352 1 2 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17352 1 3 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17352 1 4 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17352 1 5 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17352 1 6 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17352 1 7 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17352 1 8 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17352 1 9 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17352 1 10 '3D HCCH-COSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17352 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 17352 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $CNS _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17352 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 17352 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 17352 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 17352 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.404808636 . . . 1 $entry_citation . . 1 $entry_citation 17352 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17352 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17352 1 2 '3D CBCA(CO)NH' . . . 17352 1 3 '3D C(CO)NH' . . . 17352 1 4 '3D HNCO' . . . 17352 1 5 '3D HNCACB' . . . 17352 1 6 '3D HBHA(CO)NH' . . . 17352 1 7 '3D H(CCO)NH' . . . 17352 1 8 '3D HN(CO)CA' . . . 17352 1 9 '3D HCCH-TOCSY' . . . 17352 1 10 '3D HCCH-COSY' . . . 17352 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 VAL CA C 13 58.985 0.1 . . . . . . 2 VAL CA . 17352 1 2 . 1 1 2 2 VAL CB C 13 31.658 0.1 . . . . . . 2 VAL CB . 17352 1 3 . 1 1 3 3 ALA H H 1 8.468 0.01 . . . . . . 3 ALA NH . 17352 1 4 . 1 1 3 3 ALA HA H 1 4.489 0.01 . . . . . . 3 ALA HA . 17352 1 5 . 1 1 3 3 ALA HB1 H 1 1.401 0.01 . . . . . . 3 ALA HB . 17352 1 6 . 1 1 3 3 ALA HB2 H 1 1.401 0.01 . . . . . . 3 ALA HB . 17352 1 7 . 1 1 3 3 ALA HB3 H 1 1.401 0.01 . . . . . . 3 ALA HB . 17352 1 8 . 1 1 3 3 ALA C C 13 176.979 0.1 . . . . . . 3 ALA CO . 17352 1 9 . 1 1 3 3 ALA CA C 13 52.570 0.1 . . . . . . 3 ALA CA . 17352 1 10 . 1 1 3 3 ALA CB C 13 19.660 0.1 . . . . . . 3 ALA CB . 17352 1 11 . 1 1 3 3 ALA N N 15 124.482 0.01 . . . . . . 3 ALA N . 17352 1 12 . 1 1 4 4 THR H H 1 8.107 0.01 . . . . . . 4 THR NH . 17352 1 13 . 1 1 4 4 THR HA H 1 4.972 0.01 . . . . . . 4 THR HA . 17352 1 14 . 1 1 4 4 THR HB H 1 3.917 0.01 . . . . . . 4 THR HB . 17352 1 15 . 1 1 4 4 THR HG21 H 1 0.933 0.01 . . . . . . 4 THR HG2 . 17352 1 16 . 1 1 4 4 THR HG22 H 1 0.933 0.01 . . . . . . 4 THR HG2 . 17352 1 17 . 1 1 4 4 THR HG23 H 1 0.933 0.01 . . . . . . 4 THR HG2 . 17352 1 18 . 1 1 4 4 THR C C 13 173.719 0.1 . . . . . . 4 THR CO . 17352 1 19 . 1 1 4 4 THR CA C 13 59.915 0.1 . . . . . . 4 THR CA . 17352 1 20 . 1 1 4 4 THR CB C 13 72.329 0.1 . . . . . . 4 THR CB . 17352 1 21 . 1 1 4 4 THR CG2 C 13 21.255 0.1 . . . . . . 4 THR CG2 . 17352 1 22 . 1 1 4 4 THR N N 15 111.561 0.01 . . . . . . 4 THR N . 17352 1 23 . 1 1 5 5 VAL H H 1 8.984 0.01 . . . . . . 5 VAL NH . 17352 1 24 . 1 1 5 5 VAL HA H 1 4.472 0.01 . . . . . . 5 VAL HA . 17352 1 25 . 1 1 5 5 VAL HB H 1 1.971 0.01 . . . . . . 5 VAL HB . 17352 1 26 . 1 1 5 5 VAL HG11 H 1 0.796 0.01 . . . . . . 5 VAL HG1 . 17352 1 27 . 1 1 5 5 VAL HG12 H 1 0.796 0.01 . . . . . . 5 VAL HG1 . 17352 1 28 . 1 1 5 5 VAL HG13 H 1 0.796 0.01 . . . . . . 5 VAL HG1 . 17352 1 29 . 1 1 5 5 VAL HG21 H 1 0.796 0.01 . . . . . . 5 VAL HG2 . 17352 1 30 . 1 1 5 5 VAL HG22 H 1 0.796 0.01 . . . . . . 5 VAL HG2 . 17352 1 31 . 1 1 5 5 VAL HG23 H 1 0.796 0.01 . . . . . . 5 VAL HG2 . 17352 1 32 . 1 1 5 5 VAL C C 13 173.892 0.1 . . . . . . 5 VAL CO . 17352 1 33 . 1 1 5 5 VAL CA C 13 59.957 0.1 . . . . . . 5 VAL CA . 17352 1 34 . 1 1 5 5 VAL CB C 13 34.993 0.1 . . . . . . 5 VAL CB . 17352 1 35 . 1 1 5 5 VAL CG1 C 13 20.272 0.1 . . . . . . 5 VAL CG1 . 17352 1 36 . 1 1 5 5 VAL CG2 C 13 20.272 0.1 . . . . . . 5 VAL CG2 . 17352 1 37 . 1 1 5 5 VAL N N 15 118.053 0.01 . . . . . . 5 VAL N . 17352 1 38 . 1 1 6 6 LYS H H 1 8.262 0.01 . . . . . . 6 LYS NH . 17352 1 39 . 1 1 6 6 LYS HA H 1 4.781 0.01 . . . . . . 6 LYS HA . 17352 1 40 . 1 1 6 6 LYS HB2 H 1 2.289 0.01 . . . . . . 6 LYS HB2 . 17352 1 41 . 1 1 6 6 LYS HB3 H 1 1.596 0.01 . . . . . . 6 LYS HB3 . 17352 1 42 . 1 1 6 6 LYS HG2 H 1 1.103 0.01 . . . . . . 6 LYS HG2 . 17352 1 43 . 1 1 6 6 LYS HG3 H 1 1.103 0.01 . . . . . . 6 LYS HG3 . 17352 1 44 . 1 1 6 6 LYS HD2 H 1 1.413 0.01 . . . . . . 6 LYS HD2 . 17352 1 45 . 1 1 6 6 LYS HD3 H 1 1.413 0.01 . . . . . . 6 LYS HD3 . 17352 1 46 . 1 1 6 6 LYS HE2 H 1 2.844 0.01 . . . . . . 6 LYS HE2 . 17352 1 47 . 1 1 6 6 LYS HE3 H 1 2.844 0.01 . . . . . . 6 LYS HE3 . 17352 1 48 . 1 1 6 6 LYS C C 13 174.182 0.1 . . . . . . 6 LYS CO . 17352 1 49 . 1 1 6 6 LYS CA C 13 55.884 0.1 . . . . . . 6 LYS CA . 17352 1 50 . 1 1 6 6 LYS CB C 13 33.411 0.1 . . . . . . 6 LYS CB . 17352 1 51 . 1 1 6 6 LYS CG C 13 25.460 0.1 . . . . . . 6 LYS CG . 17352 1 52 . 1 1 6 6 LYS CD C 13 29.731 0.1 . . . . . . 6 LYS CD . 17352 1 53 . 1 1 6 6 LYS CE C 13 41.929 0.1 . . . . . . 6 LYS CE . 17352 1 54 . 1 1 6 6 LYS N N 15 123.485 0.01 . . . . . . 6 LYS N . 17352 1 55 . 1 1 7 7 ARG H H 1 8.956 0.01 . . . . . . 7 ARG NH . 17352 1 56 . 1 1 7 7 ARG HA H 1 4.698 0.01 . . . . . . 7 ARG HA . 17352 1 57 . 1 1 7 7 ARG HB2 H 1 1.656 0.01 . . . . . . 7 ARG HB2 . 17352 1 58 . 1 1 7 7 ARG HB3 H 1 1.397 0.01 . . . . . . 7 ARG HB3 . 17352 1 59 . 1 1 7 7 ARG C C 13 174.057 0.1 . . . . . . 7 ARG CO . 17352 1 60 . 1 1 7 7 ARG CA C 13 52.670 0.1 . . . . . . 7 ARG CA . 17352 1 61 . 1 1 7 7 ARG CB C 13 33.090 0.1 . . . . . . 7 ARG CB . 17352 1 62 . 1 1 7 7 ARG CG C 13 26.747 0.1 . . . . . . 7 ARG CG . 17352 1 63 . 1 1 7 7 ARG CD C 13 41.885 0.1 . . . . . . 7 ARG CD . 17352 1 64 . 1 1 7 7 ARG N N 15 122.872 0.01 . . . . . . 7 ARG N . 17352 1 65 . 1 1 8 8 THR H H 1 9.349 0.01 . . . . . . 8 THR NH . 17352 1 66 . 1 1 8 8 THR HA H 1 5.037 0.01 . . . . . . 8 THR HA . 17352 1 67 . 1 1 8 8 THR HB H 1 3.418 0.01 . . . . . . 8 THR HB . 17352 1 68 . 1 1 8 8 THR HG21 H 1 1.057 0.01 . . . . . . 8 THR HG2 . 17352 1 69 . 1 1 8 8 THR HG22 H 1 1.057 0.01 . . . . . . 8 THR HG2 . 17352 1 70 . 1 1 8 8 THR HG23 H 1 1.057 0.01 . . . . . . 8 THR HG2 . 17352 1 71 . 1 1 8 8 THR CA C 13 62.344 0.1 . . . . . . 8 THR CA . 17352 1 72 . 1 1 8 8 THR CB C 13 67.508 0.1 . . . . . . 8 THR CB . 17352 1 73 . 1 1 8 8 THR CG2 C 13 22.384 0.1 . . . . . . 8 THR CG2 . 17352 1 74 . 1 1 8 8 THR N N 15 119.296 0.01 . . . . . . 8 THR N . 17352 1 75 . 1 1 9 9 ILE H H 1 9.019 0.1 . . . . . . 9 ILE NH . 17352 1 76 . 1 1 9 9 ILE HA H 1 5.046 0.01 . . . . . . 9 ILE HA . 17352 1 77 . 1 1 9 9 ILE HB H 1 1.954 0.01 . . . . . . 9 ILE HB . 17352 1 78 . 1 1 9 9 ILE HG12 H 1 1.598 0.01 . . . . . . 9 ILE HG12 . 17352 1 79 . 1 1 9 9 ILE HG13 H 1 1.598 0.01 . . . . . . 9 ILE HG13 . 17352 1 80 . 1 1 9 9 ILE HG21 H 1 0.872 0.01 . . . . . . 9 ILE HG2 . 17352 1 81 . 1 1 9 9 ILE HG22 H 1 0.872 0.01 . . . . . . 9 ILE HG2 . 17352 1 82 . 1 1 9 9 ILE HG23 H 1 0.872 0.01 . . . . . . 9 ILE HG2 . 17352 1 83 . 1 1 9 9 ILE HD11 H 1 0.752 0.01 . . . . . . 9 ILE HD1 . 17352 1 84 . 1 1 9 9 ILE HD12 H 1 0.752 0.01 . . . . . . 9 ILE HD1 . 17352 1 85 . 1 1 9 9 ILE HD13 H 1 0.752 0.01 . . . . . . 9 ILE HD1 . 17352 1 86 . 1 1 9 9 ILE C C 13 173.787 0.1 . . . . . . 9 ILE CO . 17352 1 87 . 1 1 9 9 ILE CA C 13 58.417 0.1 . . . . . . 9 ILE CA . 17352 1 88 . 1 1 9 9 ILE CB C 13 40.693 0.1 . . . . . . 9 ILE CB . 17352 1 89 . 1 1 9 9 ILE CG2 C 13 18.140 0.1 . . . . . . 9 ILE CG2 . 17352 1 90 . 1 1 9 9 ILE CD1 C 13 13.705 0.1 . . . . . . 9 ILE CD1 . 17352 1 91 . 1 1 9 9 ILE N N 15 118.513 0.1 . . . . . . 9 ILE N . 17352 1 92 . 1 1 10 10 ARG H H 1 9.025 0.01 . . . . . . 10 ARG NH . 17352 1 93 . 1 1 10 10 ARG HA H 1 5.094 0.01 . . . . . . 10 ARG HA . 17352 1 94 . 1 1 10 10 ARG HB2 H 1 1.516 0.01 . . . . . . 10 ARG HB2 . 17352 1 95 . 1 1 10 10 ARG HB3 H 1 1.516 0.01 . . . . . . 10 ARG HB3 . 17352 1 96 . 1 1 10 10 ARG HG2 H 1 1.310 0.01 . . . . . . 10 ARG HG2 . 17352 1 97 . 1 1 10 10 ARG HG3 H 1 1.310 0.01 . . . . . . 10 ARG HG3 . 17352 1 98 . 1 1 10 10 ARG C C 13 173.585 0.1 . . . . . . 10 ARG CO . 17352 1 99 . 1 1 10 10 ARG CA C 13 54.440 0.1 . . . . . . 10 ARG CA . 17352 1 100 . 1 1 10 10 ARG CB C 13 34.941 0.1 . . . . . . 10 ARG CB . 17352 1 101 . 1 1 10 10 ARG CG C 13 27.281 0.1 . . . . . . 10 ARG CG . 17352 1 102 . 1 1 10 10 ARG CD C 13 43.802 0.1 . . . . . . 10 ARG CD . 17352 1 103 . 1 1 10 10 ARG N N 15 123.079 0.01 . . . . . . 10 ARG N . 17352 1 104 . 1 1 11 11 ILE H H 1 9.379 0.01 . . . . . . 11 ILE NH . 17352 1 105 . 1 1 11 11 ILE HA H 1 4.585 0.01 . . . . . . 11 ILE HA . 17352 1 106 . 1 1 11 11 ILE HB H 1 1.799 0.01 . . . . . . 11 ILE HB . 17352 1 107 . 1 1 11 11 ILE HG12 H 1 0.981 0.01 . . . . . . 11 ILE HG12 . 17352 1 108 . 1 1 11 11 ILE HG13 H 1 0.615 0.01 . . . . . . 11 ILE HG13 . 17352 1 109 . 1 1 11 11 ILE HG21 H 1 0.132 0.01 . . . . . . 11 ILE HG2 . 17352 1 110 . 1 1 11 11 ILE HG22 H 1 0.132 0.01 . . . . . . 11 ILE HG2 . 17352 1 111 . 1 1 11 11 ILE HG23 H 1 0.132 0.01 . . . . . . 11 ILE HG2 . 17352 1 112 . 1 1 11 11 ILE HD11 H 1 0.132 0.01 . . . . . . 11 ILE HD1 . 17352 1 113 . 1 1 11 11 ILE HD12 H 1 0.132 0.01 . . . . . . 11 ILE HD1 . 17352 1 114 . 1 1 11 11 ILE HD13 H 1 0.132 0.01 . . . . . . 11 ILE HD1 . 17352 1 115 . 1 1 11 11 ILE C C 13 177.522 0.1 . . . . . . 11 ILE CO . 17352 1 116 . 1 1 11 11 ILE CA C 13 60.279 0.1 . . . . . . 11 ILE CA . 17352 1 117 . 1 1 11 11 ILE CB C 13 37.895 0.1 . . . . . . 11 ILE CB . 17352 1 118 . 1 1 11 11 ILE CG2 C 13 17.290 0.1 . . . . . . 11 ILE CG2 . 17352 1 119 . 1 1 11 11 ILE CD1 C 13 13.288 0.1 . . . . . . 11 ILE CD1 . 17352 1 120 . 1 1 11 11 ILE N N 15 126.729 0.01 . . . . . . 11 ILE N . 17352 1 121 . 1 1 12 12 LYS H H 1 9.528 0.01 . . . . . . 12 LYS NH . 17352 1 122 . 1 1 12 12 LYS HA H 1 4.761 0.01 . . . . . . 12 LYS HA . 17352 1 123 . 1 1 12 12 LYS HB2 H 1 1.492 0.01 . . . . . . 12 LYS HB2 . 17352 1 124 . 1 1 12 12 LYS HB3 H 1 1.290 0.01 . . . . . . 12 LYS HB3 . 17352 1 125 . 1 1 12 12 LYS HD2 H 1 1.075 0.01 . . . . . . 12 LYS HD2 . 17352 1 126 . 1 1 12 12 LYS HD3 H 1 1.075 0.01 . . . . . . 12 LYS HD3 . 17352 1 127 . 1 1 12 12 LYS HE2 H 1 2.785 0.01 . . . . . . 12 LYS HE2 . 17352 1 128 . 1 1 12 12 LYS HE3 H 1 2.785 0.01 . . . . . . 12 LYS HE3 . 17352 1 129 . 1 1 12 12 LYS C C 13 176.218 0.1 . . . . . . 12 LYS CO . 17352 1 130 . 1 1 12 12 LYS CA C 13 56.535 0.1 . . . . . . 12 LYS CA . 17352 1 131 . 1 1 12 12 LYS CB C 13 32.186 0.1 . . . . . . 12 LYS CB . 17352 1 132 . 1 1 12 12 LYS N N 15 132.162 0.01 . . . . . . 12 LYS N . 17352 1 133 . 1 1 13 13 THR H H 1 8.468 0.01 . . . . . . 13 THR NH . 17352 1 134 . 1 1 13 13 THR HA H 1 5.423 0.01 . . . . . . 13 THR HA . 17352 1 135 . 1 1 13 13 THR HB H 1 3.413 0.01 . . . . . . 13 THR HB . 17352 1 136 . 1 1 13 13 THR HG21 H 1 1.176 0.01 . . . . . . 13 THR HG2 . 17352 1 137 . 1 1 13 13 THR HG22 H 1 1.176 0.01 . . . . . . 13 THR HG2 . 17352 1 138 . 1 1 13 13 THR HG23 H 1 1.176 0.01 . . . . . . 13 THR HG2 . 17352 1 139 . 1 1 13 13 THR C C 13 173.656 0.1 . . . . . . 13 THR CO . 17352 1 140 . 1 1 13 13 THR CA C 13 62.055 0.1 . . . . . . 13 THR CA . 17352 1 141 . 1 1 13 13 THR CB C 13 70.129 0.1 . . . . . . 13 THR CB . 17352 1 142 . 1 1 13 13 THR N N 15 122.931 0.01 . . . . . . 13 THR N . 17352 1 143 . 1 1 14 14 GLN H H 1 8.841 0.01 . . . . . . 14 GLN NH . 17352 1 144 . 1 1 14 14 GLN HA H 1 5.359 0.01 . . . . . . 14 GLN HA . 17352 1 145 . 1 1 14 14 GLN HB2 H 1 2.059 0.01 . . . . . . 14 GLN HB2 . 17352 1 146 . 1 1 14 14 GLN HB3 H 1 2.059 0.01 . . . . . . 14 GLN HB3 . 17352 1 147 . 1 1 14 14 GLN CA C 13 55.061 0.1 . . . . . . 14 GLN CA . 17352 1 148 . 1 1 14 14 GLN CB C 13 32.614 0.1 . . . . . . 14 GLN CB . 17352 1 149 . 1 1 14 14 GLN N N 15 125.439 0.01 . . . . . . 14 GLN N . 17352 1 150 . 1 1 15 15 GLN H H 1 8.903 0.01 . . . . . . 15 GLN NH . 17352 1 151 . 1 1 15 15 GLN HA H 1 5.058 0.01 . . . . . . 15 GLN HA . 17352 1 152 . 1 1 15 15 GLN HB2 H 1 2.233 0.01 . . . . . . 15 GLN HB2 . 17352 1 153 . 1 1 15 15 GLN HB3 H 1 2.096 0.01 . . . . . . 15 GLN HB3 . 17352 1 154 . 1 1 15 15 GLN HG2 H 1 2.913 0.01 . . . . . . 15 GLN HG2 . 17352 1 155 . 1 1 15 15 GLN HG3 H 1 2.543 0.01 . . . . . . 15 GLN HG3 . 17352 1 156 . 1 1 15 15 GLN C C 13 174.466 0.1 . . . . . . 15 GLN CO . 17352 1 157 . 1 1 15 15 GLN CA C 13 55.027 0.1 . . . . . . 15 GLN CA . 17352 1 158 . 1 1 15 15 GLN CB C 13 29.695 0.1 . . . . . . 15 GLN CB . 17352 1 159 . 1 1 15 15 GLN N N 15 117.160 0.01 . . . . . . 15 GLN N . 17352 1 160 . 1 1 16 16 HIS H H 1 8.417 0.01 . . . . . . 16 HIS NH . 17352 1 161 . 1 1 16 16 HIS HA H 1 4.697 0.01 . . . . . . 16 HIS HA . 17352 1 162 . 1 1 16 16 HIS HB2 H 1 3.286 0.01 . . . . . . 16 HIS HB2 . 17352 1 163 . 1 1 16 16 HIS HB3 H 1 3.092 0.01 . . . . . . 16 HIS HB3 . 17352 1 164 . 1 1 16 16 HIS CA C 13 55.320 0.1 . . . . . . 16 HIS CA . 17352 1 165 . 1 1 16 16 HIS CB C 13 32.160 0.1 . . . . . . 16 HIS CB . 17352 1 166 . 1 1 16 16 HIS N N 15 113.880 0.01 . . . . . . 16 HIS N . 17352 1 167 . 1 1 17 17 ILE H H 1 8.832 0.01 . . . . . . 17 ILE NH . 17352 1 168 . 1 1 17 17 ILE HA H 1 3.764 0.01 . . . . . . 17 ILE HA . 17352 1 169 . 1 1 17 17 ILE HB H 1 1.645 0.01 . . . . . . 17 ILE HB . 17352 1 170 . 1 1 17 17 ILE HG12 H 1 1.831 0.01 . . . . . . 17 ILE HG12 . 17352 1 171 . 1 1 17 17 ILE HG13 H 1 1.831 0.01 . . . . . . 17 ILE HG13 . 17352 1 172 . 1 1 17 17 ILE HG21 H 1 0.746 0.01 . . . . . . 17 ILE HG2 . 17352 1 173 . 1 1 17 17 ILE HG22 H 1 0.746 0.01 . . . . . . 17 ILE HG2 . 17352 1 174 . 1 1 17 17 ILE HG23 H 1 0.746 0.01 . . . . . . 17 ILE HG2 . 17352 1 175 . 1 1 17 17 ILE HD11 H 1 0.746 0.01 . . . . . . 17 ILE HD1 . 17352 1 176 . 1 1 17 17 ILE HD12 H 1 0.746 0.01 . . . . . . 17 ILE HD1 . 17352 1 177 . 1 1 17 17 ILE HD13 H 1 0.746 0.01 . . . . . . 17 ILE HD1 . 17352 1 178 . 1 1 17 17 ILE C C 13 175.747 0.1 . . . . . . 17 ILE CO . 17352 1 179 . 1 1 17 17 ILE CA C 13 63.340 0.1 . . . . . . 17 ILE CA . 17352 1 180 . 1 1 17 17 ILE CB C 13 39.757 0.1 . . . . . . 17 ILE CB . 17352 1 181 . 1 1 17 17 ILE N N 15 122.118 0.01 . . . . . . 17 ILE N . 17352 1 182 . 1 1 18 18 LEU H H 1 8.804 0.01 . . . . . . 18 LEU NH . 17352 1 183 . 1 1 18 18 LEU HA H 1 4.890 0.01 . . . . . . 18 LEU HA . 17352 1 184 . 1 1 18 18 LEU HB2 H 1 1.371 0.01 . . . . . . 18 LEU HB2 . 17352 1 185 . 1 1 18 18 LEU HB3 H 1 1.371 0.01 . . . . . . 18 LEU HB3 . 17352 1 186 . 1 1 18 18 LEU HG H 1 1.800 0.01 . . . . . . 18 LEU HG . 17352 1 187 . 1 1 18 18 LEU CA C 13 51.191 0.1 . . . . . . 18 LEU CA . 17352 1 188 . 1 1 18 18 LEU CB C 13 41.270 0.1 . . . . . . 18 LEU CB . 17352 1 189 . 1 1 18 18 LEU N N 15 129.221 0.01 . . . . . . 18 LEU N . 17352 1 190 . 1 1 19 19 PRO HA H 1 4.233 0.01 . . . . . . 19 PRO HA . 17352 1 191 . 1 1 19 19 PRO HB2 H 1 2.268 0.01 . . . . . . 19 PRO HB2 . 17352 1 192 . 1 1 19 19 PRO HB3 H 1 1.950 0.01 . . . . . . 19 PRO HB3 . 17352 1 193 . 1 1 19 19 PRO HG2 H 1 1.781 0.01 . . . . . . 19 PRO HG2 . 17352 1 194 . 1 1 19 19 PRO C C 13 177.756 0.1 . . . . . . 19 PRO CO . 17352 1 195 . 1 1 19 19 PRO CA C 13 64.409 0.1 . . . . . . 19 PRO CA . 17352 1 196 . 1 1 19 19 PRO CB C 13 32.285 0.1 . . . . . . 19 PRO CB . 17352 1 197 . 1 1 19 19 PRO CG C 13 27.327 0.1 . . . . . . 19 PRO CG . 17352 1 198 . 1 1 20 20 GLU H H 1 9.258 0.01 . . . . . . 20 GLU H . 17352 1 199 . 1 1 20 20 GLU HA H 1 4.233 0.01 . . . . . . 20 GLU HA . 17352 1 200 . 1 1 20 20 GLU HB2 H 1 2.110 0.01 . . . . . . 20 GLU HB2 . 17352 1 201 . 1 1 20 20 GLU HB3 H 1 1.940 0.01 . . . . . . 20 GLU HB3 . 17352 1 202 . 1 1 20 20 GLU HG2 H 1 2.238 0.01 . . . . . . 20 GLU HG2 . 17352 1 203 . 1 1 20 20 GLU HG3 H 1 2.238 0.01 . . . . . . 20 GLU HG3 . 17352 1 204 . 1 1 20 20 GLU C C 13 176.262 0.1 . . . . . . 20 GLU CO . 17352 1 205 . 1 1 20 20 GLU CA C 13 56.859 0.1 . . . . . . 20 GLU CA . 17352 1 206 . 1 1 20 20 GLU CB C 13 28.803 0.1 . . . . . . 20 GLU CB . 17352 1 207 . 1 1 20 20 GLU CG C 13 36.253 0.1 . . . . . . 20 GLU CG . 17352 1 208 . 1 1 20 20 GLU N N 15 116.546 0.01 . . . . . . 20 GLU N . 17352 1 209 . 1 1 21 21 VAL H H 1 7.211 0.01 . . . . . . 21 VAL NH . 17352 1 210 . 1 1 21 21 VAL HA H 1 3.965 0.01 . . . . . . 21 VAL HA . 17352 1 211 . 1 1 21 21 VAL HB H 1 1.358 0.01 . . . . . . 21 VAL HB . 17352 1 212 . 1 1 21 21 VAL HG11 H 1 0.991 0.01 . . . . . . 21 VAL HG1 . 17352 1 213 . 1 1 21 21 VAL HG12 H 1 0.991 0.01 . . . . . . 21 VAL HG1 . 17352 1 214 . 1 1 21 21 VAL HG13 H 1 0.991 0.01 . . . . . . 21 VAL HG1 . 17352 1 215 . 1 1 21 21 VAL HG21 H 1 0.860 0.01 . . . . . . 21 VAL HG2 . 17352 1 216 . 1 1 21 21 VAL HG22 H 1 0.860 0.01 . . . . . . 21 VAL HG2 . 17352 1 217 . 1 1 21 21 VAL HG23 H 1 0.860 0.01 . . . . . . 21 VAL HG2 . 17352 1 218 . 1 1 21 21 VAL N N 15 123.632 0.01 . . . . . . 21 VAL N . 17352 1 219 . 1 1 23 23 PRO HA H 1 4.404 0.01 . . . . . . 23 PRO HA . 17352 1 220 . 1 1 23 23 PRO HB2 H 1 1.768 0.01 . . . . . . 23 PRO HB2 . 17352 1 221 . 1 1 23 23 PRO HB3 H 1 1.442 0.01 . . . . . . 23 PRO HB3 . 17352 1 222 . 1 1 24 24 VAL H H 1 8.345 0.01 . . . . . . 24 VAL NH . 17352 1 223 . 1 1 24 24 VAL HA H 1 3.713 0.01 . . . . . . 24 VAL HA . 17352 1 224 . 1 1 24 24 VAL HB H 1 1.086 0.01 . . . . . . 24 VAL HB . 17352 1 225 . 1 1 24 24 VAL HG11 H 1 0.520 0.01 . . . . . . 24 VAL HG1 . 17352 1 226 . 1 1 24 24 VAL HG12 H 1 0.520 0.01 . . . . . . 24 VAL HG1 . 17352 1 227 . 1 1 24 24 VAL HG13 H 1 0.520 0.01 . . . . . . 24 VAL HG1 . 17352 1 228 . 1 1 24 24 VAL HG21 H 1 0.098 0.01 . . . . . . 24 VAL HG2 . 17352 1 229 . 1 1 24 24 VAL HG22 H 1 0.098 0.01 . . . . . . 24 VAL HG2 . 17352 1 230 . 1 1 24 24 VAL HG23 H 1 0.098 0.01 . . . . . . 24 VAL HG2 . 17352 1 231 . 1 1 24 24 VAL CA C 13 62.052 0.1 . . . . . . 24 VAL CA . 17352 1 232 . 1 1 24 24 VAL CB C 13 32.751 0.1 . . . . . . 24 VAL CB . 17352 1 233 . 1 1 24 24 VAL CG1 C 13 20.453 0.1 . . . . . . 24 VAL CG1 . 17352 1 234 . 1 1 24 24 VAL CG2 C 13 20.453 0.1 . . . . . . 24 VAL CG2 . 17352 1 235 . 1 1 24 24 VAL N N 15 122.629 0.01 . . . . . . 24 VAL N . 17352 1 236 . 1 1 25 25 GLU H H 1 8.806 0.01 . . . . . . 25 GLU H . 17352 1 237 . 1 1 25 25 GLU HA H 1 3.493 0.01 . . . . . . 25 GLU HA . 17352 1 238 . 1 1 25 25 GLU HB2 H 1 1.967 0.01 . . . . . . 25 GLU HB2 . 17352 1 239 . 1 1 25 25 GLU HB3 H 1 1.740 0.01 . . . . . . 25 GLU HB3 . 17352 1 240 . 1 1 25 25 GLU HG2 H 1 1.893 0.01 . . . . . . 25 GLU HG2 . 17352 1 241 . 1 1 25 25 GLU C C 13 175.097 0.1 . . . . . . 25 GLU CO . 17352 1 242 . 1 1 25 25 GLU CA C 13 57.557 0.1 . . . . . . 25 GLU CA . 17352 1 243 . 1 1 25 25 GLU CB C 13 26.767 0.1 . . . . . . 25 GLU CB . 17352 1 244 . 1 1 25 25 GLU CG C 13 36.113 0.1 . . . . . . 25 GLU CG . 17352 1 245 . 1 1 25 25 GLU N N 15 124.547 0.01 . . . . . . 25 GLU N . 17352 1 246 . 1 1 26 26 ASN H H 1 8.183 0.01 . . . . . . 26 ASN NH . 17352 1 247 . 1 1 26 26 ASN HA H 1 4.009 0.01 . . . . . . 26 ASN HA . 17352 1 248 . 1 1 26 26 ASN HB2 H 1 2.675 0.01 . . . . . . 26 ASN HB2 . 17352 1 249 . 1 1 26 26 ASN HB3 H 1 2.675 0.01 . . . . . . 26 ASN HB3 . 17352 1 250 . 1 1 26 26 ASN HD21 H 1 7.459 0.01 . . . . . . 26 ASN HD21 . 17352 1 251 . 1 1 26 26 ASN HD22 H 1 7.459 0.01 . . . . . . 26 ASN HD22 . 17352 1 252 . 1 1 26 26 ASN C C 13 174.402 0.1 . . . . . . 26 ASN CO . 17352 1 253 . 1 1 26 26 ASN CB C 13 37.914 0.1 . . . . . . 26 ASN CB . 17352 1 254 . 1 1 26 26 ASN N N 15 108.361 0.01 . . . . . . 26 ASN N . 17352 1 255 . 1 1 27 27 PHE H H 1 8.409 0.01 . . . . . . 27 PHE NH . 17352 1 256 . 1 1 27 27 PHE N N 15 121.965 0.01 . . . . . . 27 PHE N . 17352 1 257 . 1 1 29 29 VAL HA H 1 3.843 0.01 . . . . . . 29 VAL HA . 17352 1 258 . 1 1 29 29 VAL HG11 H 1 1.076 0.01 . . . . . . 29 VAL HG1 . 17352 1 259 . 1 1 29 29 VAL HG12 H 1 1.076 0.01 . . . . . . 29 VAL HG1 . 17352 1 260 . 1 1 29 29 VAL HG13 H 1 1.076 0.01 . . . . . . 29 VAL HG1 . 17352 1 261 . 1 1 29 29 VAL HG21 H 1 0.953 0.01 . . . . . . 29 VAL HG2 . 17352 1 262 . 1 1 29 29 VAL HG22 H 1 0.953 0.01 . . . . . . 29 VAL HG2 . 17352 1 263 . 1 1 29 29 VAL HG23 H 1 0.953 0.01 . . . . . . 29 VAL HG2 . 17352 1 264 . 1 1 29 29 VAL C C 13 174.493 0.1 . . . . . . 29 VAL CO . 17352 1 265 . 1 1 29 29 VAL CA C 13 64.036 0.1 . . . . . . 29 VAL CA . 17352 1 266 . 1 1 29 29 VAL CB C 13 31.797 0.1 . . . . . . 29 VAL CB . 17352 1 267 . 1 1 29 29 VAL CG1 C 13 22.543 0.1 . . . . . . 29 VAL CG1 . 17352 1 268 . 1 1 29 29 VAL CG2 C 13 22.543 0.1 . . . . . . 29 VAL CG2 . 17352 1 269 . 1 1 30 30 ARG H H 1 8.617 0.01 . . . . . . 30 ARG NH . 17352 1 270 . 1 1 30 30 ARG HA H 1 4.863 0.01 . . . . . . 30 ARG HA . 17352 1 271 . 1 1 30 30 ARG HB2 H 1 1.348 0.01 . . . . . . 30 ARG HB2 . 17352 1 272 . 1 1 30 30 ARG HB3 H 1 1.005 0.01 . . . . . . 30 ARG HB3 . 17352 1 273 . 1 1 30 30 ARG C C 13 175.157 0.1 . . . . . . 30 ARG CO . 17352 1 274 . 1 1 30 30 ARG CA C 13 53.975 0.1 . . . . . . 30 ARG CA . 17352 1 275 . 1 1 30 30 ARG CB C 13 32.779 0.1 . . . . . . 30 ARG CB . 17352 1 276 . 1 1 30 30 ARG CD C 13 42.215 0.1 . . . . . . 30 ARG CD . 17352 1 277 . 1 1 30 30 ARG N N 15 125.224 0.01 . . . . . . 30 ARG N . 17352 1 278 . 1 1 31 31 GLN H H 1 8.649 0.01 . . . . . . 31 GLN NH . 17352 1 279 . 1 1 31 31 GLN HA H 1 4.895 0.01 . . . . . . 31 GLN HA . 17352 1 280 . 1 1 31 31 GLN HB2 H 1 1.812 0.01 . . . . . . 31 GLN HB2 . 17352 1 281 . 1 1 31 31 GLN HB3 H 1 1.412 0.01 . . . . . . 31 GLN HB3 . 17352 1 282 . 1 1 31 31 GLN HG2 H 1 2.121 0.01 . . . . . . 31 GLN HG2 . 17352 1 283 . 1 1 31 31 GLN HG3 H 1 2.121 0.01 . . . . . . 31 GLN HG3 . 17352 1 284 . 1 1 31 31 GLN C C 13 174.353 0.1 . . . . . . 31 GLN CO . 17352 1 285 . 1 1 31 31 GLN CA C 13 54.193 0.1 . . . . . . 31 GLN CA . 17352 1 286 . 1 1 31 31 GLN CB C 13 31.182 0.1 . . . . . . 31 GLN CB . 17352 1 287 . 1 1 31 31 GLN CG C 13 34.235 0.1 . . . . . . 31 GLN CG . 17352 1 288 . 1 1 31 31 GLN N N 15 120.487 0.01 . . . . . . 31 GLN N . 17352 1 289 . 1 1 32 32 TRP H H 1 9.095 0.01 . . . . . . 32 TRP NH . 17352 1 290 . 1 1 32 32 TRP HA H 1 5.824 0.01 . . . . . . 32 TRP HA . 17352 1 291 . 1 1 32 32 TRP HB2 H 1 3.387 0.01 . . . . . . 32 TRP HB2 . 17352 1 292 . 1 1 32 32 TRP HB3 H 1 3.004 0.01 . . . . . . 32 TRP HB3 . 17352 1 293 . 1 1 32 32 TRP C C 13 174.004 0.1 . . . . . . 32 TRP CO . 17352 1 294 . 1 1 32 32 TRP CA C 13 53.877 0.1 . . . . . . 32 TRP CA . 17352 1 295 . 1 1 32 32 TRP CB C 13 33.951 0.1 . . . . . . 32 TRP CB . 17352 1 296 . 1 1 32 32 TRP N N 15 125.271 0.01 . . . . . . 32 TRP N . 17352 1 297 . 1 1 33 33 SER H H 1 9.435 0.01 . . . . . . 33 SER NH . 17352 1 298 . 1 1 33 33 SER HA H 1 5.745 0.01 . . . . . . 33 SER HA . 17352 1 299 . 1 1 33 33 SER HB2 H 1 3.675 0.01 . . . . . . 33 SER HB2 . 17352 1 300 . 1 1 33 33 SER HB3 H 1 3.675 0.01 . . . . . . 33 SER HB3 . 17352 1 301 . 1 1 33 33 SER C C 13 173.170 0.1 . . . . . . 33 SER CO . 17352 1 302 . 1 1 33 33 SER CA C 13 55.994 0.1 . . . . . . 33 SER CA . 17352 1 303 . 1 1 33 33 SER CB C 13 67.420 0.1 . . . . . . 33 SER CB . 17352 1 304 . 1 1 33 33 SER N N 15 112.528 0.01 . . . . . . 33 SER N . 17352 1 305 . 1 1 34 34 ILE H H 1 8.227 0.01 . . . . . . 34 ILE NH . 17352 1 306 . 1 1 34 34 ILE HA H 1 5.039 0.01 . . . . . . 34 ILE HA . 17352 1 307 . 1 1 34 34 ILE HB H 1 1.315 0.01 . . . . . . 34 ILE HB . 17352 1 308 . 1 1 34 34 ILE HG12 H 1 1.661 0.01 . . . . . . 34 ILE HG12 . 17352 1 309 . 1 1 34 34 ILE HG13 H 1 1.661 0.01 . . . . . . 34 ILE HG13 . 17352 1 310 . 1 1 34 34 ILE HG21 H 1 0.708 0.01 . . . . . . 34 ILE HG2 . 17352 1 311 . 1 1 34 34 ILE HG22 H 1 0.708 0.01 . . . . . . 34 ILE HG2 . 17352 1 312 . 1 1 34 34 ILE HG23 H 1 0.708 0.01 . . . . . . 34 ILE HG2 . 17352 1 313 . 1 1 34 34 ILE HD11 H 1 0.708 0.01 . . . . . . 34 ILE HD1 . 17352 1 314 . 1 1 34 34 ILE HD12 H 1 0.708 0.01 . . . . . . 34 ILE HD1 . 17352 1 315 . 1 1 34 34 ILE HD13 H 1 0.708 0.01 . . . . . . 34 ILE HD1 . 17352 1 316 . 1 1 34 34 ILE C C 13 173.334 0.1 . . . . . . 34 ILE CO . 17352 1 317 . 1 1 34 34 ILE CA C 13 60.383 0.1 . . . . . . 34 ILE CA . 17352 1 318 . 1 1 34 34 ILE CB C 13 41.079 0.1 . . . . . . 34 ILE CB . 17352 1 319 . 1 1 34 34 ILE N N 15 119.397 0.01 . . . . . . 34 ILE N . 17352 1 320 . 1 1 35 35 GLU H H 1 8.470 0.01 . . . . . . 35 GLU NH . 17352 1 321 . 1 1 35 35 GLU HA H 1 4.753 0.01 . . . . . . 35 GLU HA . 17352 1 322 . 1 1 35 35 GLU HB2 H 1 2.039 0.01 . . . . . . 35 GLU HB2 . 17352 1 323 . 1 1 35 35 GLU HB3 H 1 1.871 0.01 . . . . . . 35 GLU HB3 . 17352 1 324 . 1 1 35 35 GLU C C 13 173.915 0.1 . . . . . . 35 GLU CO . 17352 1 325 . 1 1 35 35 GLU CA C 13 54.903 0.1 . . . . . . 35 GLU CA . 17352 1 326 . 1 1 35 35 GLU CB C 13 33.977 0.1 . . . . . . 35 GLU CB . 17352 1 327 . 1 1 35 35 GLU CG C 13 35.822 0.1 . . . . . . 35 GLU CG . 17352 1 328 . 1 1 35 35 GLU N N 15 120.736 0.01 . . . . . . 35 GLU N . 17352 1 329 . 1 1 36 36 ILE H H 1 8.985 0.01 . . . . . . 36 ILE NH . 17352 1 330 . 1 1 36 36 ILE HA H 1 4.982 0.01 . . . . . . 36 ILE HA . 17352 1 331 . 1 1 36 36 ILE HB H 1 1.639 0.01 . . . . . . 36 ILE HB . 17352 1 332 . 1 1 36 36 ILE HG21 H 1 0.815 0.01 . . . . . . 36 ILE HG2 . 17352 1 333 . 1 1 36 36 ILE HG22 H 1 0.815 0.01 . . . . . . 36 ILE HG2 . 17352 1 334 . 1 1 36 36 ILE HG23 H 1 0.815 0.01 . . . . . . 36 ILE HG2 . 17352 1 335 . 1 1 36 36 ILE HD11 H 1 0.527 0.01 . . . . . . 36 ILE HD1 . 17352 1 336 . 1 1 36 36 ILE HD12 H 1 0.527 0.01 . . . . . . 36 ILE HD1 . 17352 1 337 . 1 1 36 36 ILE HD13 H 1 0.527 0.01 . . . . . . 36 ILE HD1 . 17352 1 338 . 1 1 36 36 ILE C C 13 174.786 0.1 . . . . . . 36 ILE CO . 17352 1 339 . 1 1 36 36 ILE CA C 13 61.386 0.1 . . . . . . 36 ILE CA . 17352 1 340 . 1 1 36 36 ILE CB C 13 42.410 0.1 . . . . . . 36 ILE CB . 17352 1 341 . 1 1 36 36 ILE CG1 C 13 27.386 0.1 . . . . . . 36 ILE CG1 . 17352 1 342 . 1 1 36 36 ILE CG2 C 13 17.447 0.1 . . . . . . 36 ILE CG2 . 17352 1 343 . 1 1 36 36 ILE CD1 C 13 14.362 0.1 . . . . . . 36 ILE CD1 . 17352 1 344 . 1 1 36 36 ILE N N 15 119.883 0.01 . . . . . . 36 ILE N . 17352 1 345 . 1 1 37 37 VAL H H 1 8.667 0.01 . . . . . . 37 VAL NH . 17352 1 346 . 1 1 37 37 VAL HA H 1 4.899 0.01 . . . . . . 37 VAL HA . 17352 1 347 . 1 1 37 37 VAL HG11 H 1 0.560 0.01 . . . . . . 37 VAL HG1 . 17352 1 348 . 1 1 37 37 VAL HG12 H 1 0.560 0.01 . . . . . . 37 VAL HG1 . 17352 1 349 . 1 1 37 37 VAL HG13 H 1 0.560 0.01 . . . . . . 37 VAL HG1 . 17352 1 350 . 1 1 37 37 VAL HG21 H 1 0.139 0.01 . . . . . . 37 VAL HG2 . 17352 1 351 . 1 1 37 37 VAL HG22 H 1 0.139 0.01 . . . . . . 37 VAL HG2 . 17352 1 352 . 1 1 37 37 VAL HG23 H 1 0.139 0.01 . . . . . . 37 VAL HG2 . 17352 1 353 . 1 1 37 37 VAL CA C 13 59.337 0.1 . . . . . . 37 VAL CA . 17352 1 354 . 1 1 37 37 VAL CB C 13 31.229 0.1 . . . . . . 37 VAL CB . 17352 1 355 . 1 1 37 37 VAL N N 15 116.890 0.01 . . . . . . 37 VAL N . 17352 1 356 . 1 1 38 38 LEU H H 1 8.495 0.01 . . . . . . 38 LEU NH . 17352 1 357 . 1 1 38 38 LEU HA H 1 4.874 0.01 . . . . . . 38 LEU HA . 17352 1 358 . 1 1 38 38 LEU HB2 H 1 1.626 0.01 . . . . . . 38 LEU HB2 . 17352 1 359 . 1 1 38 38 LEU HB3 H 1 1.002 0.01 . . . . . . 38 LEU HB3 . 17352 1 360 . 1 1 38 38 LEU HG H 1 1.432 0.01 . . . . . . 38 LEU HG . 17352 1 361 . 1 1 38 38 LEU HD11 H 1 0.761 0.01 . . . . . . 38 LEU HD1 . 17352 1 362 . 1 1 38 38 LEU HD12 H 1 0.761 0.01 . . . . . . 38 LEU HD1 . 17352 1 363 . 1 1 38 38 LEU HD13 H 1 0.761 0.01 . . . . . . 38 LEU HD1 . 17352 1 364 . 1 1 38 38 LEU HD21 H 1 0.761 0.01 . . . . . . 38 LEU HD2 . 17352 1 365 . 1 1 38 38 LEU HD22 H 1 0.761 0.01 . . . . . . 38 LEU HD2 . 17352 1 366 . 1 1 38 38 LEU HD23 H 1 0.761 0.01 . . . . . . 38 LEU HD2 . 17352 1 367 . 1 1 38 38 LEU C C 13 173.870 0.1 . . . . . . 38 LEU CO . 17352 1 368 . 1 1 38 38 LEU CA C 13 53.057 0.1 . . . . . . 38 LEU CA . 17352 1 369 . 1 1 38 38 LEU CB C 13 46.951 0.1 . . . . . . 38 LEU CB . 17352 1 370 . 1 1 38 38 LEU CG C 13 26.583 0.1 . . . . . . 38 LEU CG . 17352 1 371 . 1 1 38 38 LEU CD1 C 13 24.351 0.1 . . . . . . 38 LEU CD . 17352 1 372 . 1 1 38 38 LEU CD2 C 13 24.351 0.1 . . . . . . 38 LEU CD . 17352 1 373 . 1 1 38 38 LEU N N 15 123.379 0.01 . . . . . . 38 LEU N . 17352 1 374 . 1 1 39 39 LEU H H 1 7.945 0.01 . . . . . . 39 LEU NH . 17352 1 375 . 1 1 39 39 LEU HA H 1 5.386 0.01 . . . . . . 39 LEU HA . 17352 1 376 . 1 1 39 39 LEU HB2 H 1 1.154 0.01 . . . . . . 39 LEU HB2 . 17352 1 377 . 1 1 39 39 LEU HB3 H 1 1.154 0.01 . . . . . . 39 LEU HB3 . 17352 1 378 . 1 1 39 39 LEU HD11 H 1 0.675 0.01 . . . . . . 39 LEU HD1 . 17352 1 379 . 1 1 39 39 LEU HD12 H 1 0.675 0.01 . . . . . . 39 LEU HD1 . 17352 1 380 . 1 1 39 39 LEU HD13 H 1 0.675 0.01 . . . . . . 39 LEU HD1 . 17352 1 381 . 1 1 39 39 LEU HD21 H 1 0.526 0.01 . . . . . . 39 LEU HD2 . 17352 1 382 . 1 1 39 39 LEU HD22 H 1 0.526 0.01 . . . . . . 39 LEU HD2 . 17352 1 383 . 1 1 39 39 LEU HD23 H 1 0.526 0.01 . . . . . . 39 LEU HD2 . 17352 1 384 . 1 1 39 39 LEU C C 13 178.486 0.1 . . . . . . 39 LEU CO . 17352 1 385 . 1 1 39 39 LEU CB C 13 43.159 0.1 . . . . . . 39 LEU CB . 17352 1 386 . 1 1 39 39 LEU N N 15 119.227 0.01 . . . . . . 39 LEU N . 17352 1 387 . 1 1 40 40 ASP H H 1 8.982 0.01 . . . . . . 40 ASP NH . 17352 1 388 . 1 1 40 40 ASP HA H 1 4.599 0.01 . . . . . . 40 ASP HA . 17352 1 389 . 1 1 40 40 ASP HB2 H 1 3.352 0.01 . . . . . . 40 ASP HB2 . 17352 1 390 . 1 1 40 40 ASP HB3 H 1 2.534 0.01 . . . . . . 40 ASP HB3 . 17352 1 391 . 1 1 40 40 ASP C C 13 178.112 0.1 . . . . . . 40 ASP CO . 17352 1 392 . 1 1 40 40 ASP CA C 13 52.099 0.1 . . . . . . 40 ASP CA . 17352 1 393 . 1 1 40 40 ASP CB C 13 40.770 0.1 . . . . . . 40 ASP CB . 17352 1 394 . 1 1 40 40 ASP N N 15 123.710 0.01 . . . . . . 40 ASP N . 17352 1 395 . 1 1 41 41 ASP H H 1 8.329 0.01 . . . . . . 41 ASP NH . 17352 1 396 . 1 1 41 41 ASP HA H 1 4.357 0.01 . . . . . . 41 ASP HA . 17352 1 397 . 1 1 41 41 ASP HB2 H 1 2.668 0.01 . . . . . . 41 ASP HB2 . 17352 1 398 . 1 1 41 41 ASP HB3 H 1 2.668 0.01 . . . . . . 41 ASP HB3 . 17352 1 399 . 1 1 41 41 ASP CA C 13 57.198 0.1 . . . . . . 41 ASP CA . 17352 1 400 . 1 1 41 41 ASP CB C 13 40.329 0.1 . . . . . . 41 ASP CB . 17352 1 401 . 1 1 41 41 ASP N N 15 116.655 0.01 . . . . . . 41 ASP N . 17352 1 402 . 1 1 42 42 GLU H H 1 8.182 0.01 . . . . . . 42 GLU NH . 17352 1 403 . 1 1 42 42 GLU HA H 1 4.392 0.01 . . . . . . 42 GLU HA . 17352 1 404 . 1 1 42 42 GLU HB2 H 1 2.205 0.01 . . . . . . 42 GLU HB2 . 17352 1 405 . 1 1 42 42 GLU HB3 H 1 1.957 0.01 . . . . . . 42 GLU HB3 . 17352 1 406 . 1 1 42 42 GLU HG2 H 1 2.174 0.01 . . . . . . 42 GLU HG2 . 17352 1 407 . 1 1 42 42 GLU HG3 H 1 2.174 0.01 . . . . . . 42 GLU HG3 . 17352 1 408 . 1 1 42 42 GLU C C 13 176.548 0.1 . . . . . . 42 GLU CO . 17352 1 409 . 1 1 42 42 GLU CA C 13 55.752 0.1 . . . . . . 42 GLU CA . 17352 1 410 . 1 1 42 42 GLU CB C 13 30.428 0.1 . . . . . . 42 GLU CB . 17352 1 411 . 1 1 42 42 GLU CG C 13 36.825 0.1 . . . . . . 42 GLU CG . 17352 1 412 . 1 1 42 42 GLU N N 15 118.129 0.01 . . . . . . 42 GLU N . 17352 1 413 . 1 1 43 43 GLY H H 1 8.109 0.01 . . . . . . 43 GLY NH . 17352 1 414 . 1 1 43 43 GLY HA2 H 1 4.139 0.01 . . . . . . 43 GLY HA2 . 17352 1 415 . 1 1 43 43 GLY HA3 H 1 3.494 0.01 . . . . . . 43 GLY HA3 . 17352 1 416 . 1 1 43 43 GLY CA C 13 45.947 0.1 . . . . . . 43 GLY CA . 17352 1 417 . 1 1 43 43 GLY N N 15 108.964 0.01 . . . . . . 43 GLY N . 17352 1 418 . 1 1 44 44 LYS H H 1 8.597 0.01 . . . . . . 44 LYS NH . 17352 1 419 . 1 1 44 44 LYS HA H 1 4.223 0.01 . . . . . . 44 LYS HA . 17352 1 420 . 1 1 44 44 LYS HB2 H 1 1.887 0.01 . . . . . . 44 LYS HB2 . 17352 1 421 . 1 1 44 44 LYS HB3 H 1 1.681 0.01 . . . . . . 44 LYS HB3 . 17352 1 422 . 1 1 44 44 LYS HG2 H 1 1.314 0.01 . . . . . . 44 LYS HG2 . 17352 1 423 . 1 1 44 44 LYS HG3 H 1 1.314 0.01 . . . . . . 44 LYS HG3 . 17352 1 424 . 1 1 44 44 LYS HD2 H 1 1.716 0.01 . . . . . . 44 LYS HD2 . 17352 1 425 . 1 1 44 44 LYS HD3 H 1 1.716 0.01 . . . . . . 44 LYS HD3 . 17352 1 426 . 1 1 44 44 LYS C C 13 175.910 0.1 . . . . . . 44 LYS CO . 17352 1 427 . 1 1 44 44 LYS CA C 13 55.994 0.1 . . . . . . 44 LYS CA . 17352 1 428 . 1 1 44 44 LYS CB C 13 32.510 0.1 . . . . . . 44 LYS CB . 17352 1 429 . 1 1 44 44 LYS N N 15 122.610 0.01 . . . . . . 44 LYS N . 17352 1 430 . 1 1 45 45 GLU H H 1 8.233 0.01 . . . . . . 45 GLU NH . 17352 1 431 . 1 1 45 45 GLU HA H 1 4.593 0.01 . . . . . . 45 GLU HA . 17352 1 432 . 1 1 45 45 GLU HB2 H 1 1.857 0.01 . . . . . . 45 GLU HB2 . 17352 1 433 . 1 1 45 45 GLU HB3 H 1 1.574 0.01 . . . . . . 45 GLU HB3 . 17352 1 434 . 1 1 45 45 GLU HG2 H 1 2.472 0.01 . . . . . . 45 GLU HG2 . 17352 1 435 . 1 1 45 45 GLU HG3 H 1 2.472 0.01 . . . . . . 45 GLU HG3 . 17352 1 436 . 1 1 45 45 GLU C C 13 176.644 0.1 . . . . . . 45 GLU CO . 17352 1 437 . 1 1 45 45 GLU CA C 13 56.533 0.1 . . . . . . 45 GLU CA . 17352 1 438 . 1 1 45 45 GLU CB C 13 29.909 0.1 . . . . . . 45 GLU CB . 17352 1 439 . 1 1 45 45 GLU N N 15 119.532 0.01 . . . . . . 45 GLU N . 17352 1 440 . 1 1 46 46 ILE H H 1 9.517 0.01 . . . . . . 46 ILE NH . 17352 1 441 . 1 1 46 46 ILE HA H 1 5.397 0.01 . . . . . . 46 ILE HA . 17352 1 442 . 1 1 46 46 ILE HG12 H 1 1.399 0.01 . . . . . . 46 ILE HG12 . 17352 1 443 . 1 1 46 46 ILE HG13 H 1 1.279 0.01 . . . . . . 46 ILE HG13 . 17352 1 444 . 1 1 46 46 ILE HG21 H 1 0.512 0.01 . . . . . . 46 ILE HG2 . 17352 1 445 . 1 1 46 46 ILE HG22 H 1 0.512 0.01 . . . . . . 46 ILE HG2 . 17352 1 446 . 1 1 46 46 ILE HG23 H 1 0.512 0.01 . . . . . . 46 ILE HG2 . 17352 1 447 . 1 1 46 46 ILE HD11 H 1 0.512 0.01 . . . . . . 46 ILE HD1 . 17352 1 448 . 1 1 46 46 ILE HD12 H 1 0.512 0.01 . . . . . . 46 ILE HD1 . 17352 1 449 . 1 1 46 46 ILE HD13 H 1 0.512 0.01 . . . . . . 46 ILE HD1 . 17352 1 450 . 1 1 46 46 ILE CA C 13 58.667 0.1 . . . . . . 46 ILE CA . 17352 1 451 . 1 1 46 46 ILE CB C 13 39.888 0.1 . . . . . . 46 ILE CB . 17352 1 452 . 1 1 46 46 ILE N N 15 121.135 0.01 . . . . . . 46 ILE N . 17352 1 453 . 1 1 47 47 PRO HA H 1 4.541 0.01 . . . . . . 47 PRO HA . 17352 1 454 . 1 1 47 47 PRO HB2 H 1 2.058 0.01 . . . . . . 47 PRO HB2 . 17352 1 455 . 1 1 47 47 PRO HB3 H 1 2.058 0.01 . . . . . . 47 PRO HB3 . 17352 1 456 . 1 1 47 47 PRO C C 13 178.663 0.1 . . . . . . 47 PRO CO . 17352 1 457 . 1 1 47 47 PRO CA C 13 62.549 0.1 . . . . . . 47 PRO CA . 17352 1 458 . 1 1 47 47 PRO CB C 13 32.316 0.1 . . . . . . 47 PRO CB . 17352 1 459 . 1 1 47 47 PRO CG C 13 28.138 0.1 . . . . . . 47 PRO CG . 17352 1 460 . 1 1 48 48 ALA H H 1 10.132 0.01 . . . . . . 48 ALA NH . 17352 1 461 . 1 1 48 48 ALA C C 13 176.272 0.1 . . . . . . 48 ALA CO . 17352 1 462 . 1 1 48 48 ALA CA C 13 51.025 0.1 . . . . . . 48 ALA CA . 17352 1 463 . 1 1 48 48 ALA CB C 13 16.051 0.1 . . . . . . 48 ALA CB . 17352 1 464 . 1 1 48 48 ALA N N 15 128.140 0.01 . . . . . . 48 ALA N . 17352 1 465 . 1 1 49 49 THR H H 1 8.068 0.01 . . . . . . 49 THR NH . 17352 1 466 . 1 1 49 49 THR HA H 1 4.452 0.01 . . . . . . 49 THR HA . 17352 1 467 . 1 1 49 49 THR HB H 1 4.154 0.01 . . . . . . 49 THR HB . 17352 1 468 . 1 1 49 49 THR HG21 H 1 1.192 0.01 . . . . . . 49 THR HG2 . 17352 1 469 . 1 1 49 49 THR HG22 H 1 1.192 0.01 . . . . . . 49 THR HG2 . 17352 1 470 . 1 1 49 49 THR HG23 H 1 1.192 0.01 . . . . . . 49 THR HG2 . 17352 1 471 . 1 1 49 49 THR CA C 13 63.309 0.1 . . . . . . 49 THR CA . 17352 1 472 . 1 1 49 49 THR CB C 13 67.967 0.1 . . . . . . 49 THR CB . 17352 1 473 . 1 1 49 49 THR N N 15 111.317 0.1 . . . . . . 49 THR N . 17352 1 474 . 1 1 50 50 ILE H H 1 6.080 0.01 . . . . . . 50 ILE NH . 17352 1 475 . 1 1 50 50 ILE HA H 1 3.913 0.01 . . . . . . 50 ILE HA . 17352 1 476 . 1 1 50 50 ILE HB H 1 1.657 0.01 . . . . . . 50 ILE HB . 17352 1 477 . 1 1 50 50 ILE HG21 H 1 0.608 0.01 . . . . . . 50 ILE HG2 . 17352 1 478 . 1 1 50 50 ILE HG22 H 1 0.608 0.01 . . . . . . 50 ILE HG2 . 17352 1 479 . 1 1 50 50 ILE HG23 H 1 0.608 0.01 . . . . . . 50 ILE HG2 . 17352 1 480 . 1 1 50 50 ILE HD11 H 1 0.267 0.01 . . . . . . 50 ILE HD1 . 17352 1 481 . 1 1 50 50 ILE HD12 H 1 0.267 0.01 . . . . . . 50 ILE HD1 . 17352 1 482 . 1 1 50 50 ILE HD13 H 1 0.267 0.01 . . . . . . 50 ILE HD1 . 17352 1 483 . 1 1 50 50 ILE C C 13 175.268 0.1 . . . . . . 50 ILE CO . 17352 1 484 . 1 1 50 50 ILE CA C 13 60.156 0.1 . . . . . . 50 ILE CA . 17352 1 485 . 1 1 50 50 ILE CB C 13 39.120 0.1 . . . . . . 50 ILE CB . 17352 1 486 . 1 1 50 50 ILE N N 15 107.290 0.01 . . . . . . 50 ILE N . 17352 1 487 . 1 1 51 51 PHE H H 1 7.026 0.01 . . . . . . 51 PHE NH . 17352 1 488 . 1 1 51 51 PHE HA H 1 5.768 0.01 . . . . . . 51 PHE HA . 17352 1 489 . 1 1 51 51 PHE HB2 H 1 2.902 0.01 . . . . . . 51 PHE HB2 . 17352 1 490 . 1 1 51 51 PHE HB3 H 1 2.724 0.01 . . . . . . 51 PHE HB3 . 17352 1 491 . 1 1 51 51 PHE C C 13 174.451 0.1 . . . . . . 51 PHE CO . 17352 1 492 . 1 1 51 51 PHE CA C 13 53.363 0.1 . . . . . . 51 PHE CA . 17352 1 493 . 1 1 51 51 PHE CB C 13 39.495 0.1 . . . . . . 51 PHE CB . 17352 1 494 . 1 1 51 51 PHE N N 15 118.103 0.01 . . . . . . 51 PHE N . 17352 1 495 . 1 1 52 52 ASP H H 1 8.703 0.01 . . . . . . 52 ASP NH . 17352 1 496 . 1 1 52 52 ASP HB2 H 1 3.079 0.01 . . . . . . 52 ASP HB2 . 17352 1 497 . 1 1 52 52 ASP HB3 H 1 2.656 0.01 . . . . . . 52 ASP HB3 . 17352 1 498 . 1 1 52 52 ASP CA C 13 58.006 0.1 . . . . . . 52 ASP CA . 17352 1 499 . 1 1 52 52 ASP CB C 13 42.982 0.1 . . . . . . 52 ASP CB . 17352 1 500 . 1 1 52 52 ASP N N 15 121.629 0.01 . . . . . . 52 ASP N . 17352 1 501 . 1 1 53 53 LYS H H 1 7.307 0.01 . . . . . . 53 LYS NH . 17352 1 502 . 1 1 53 53 LYS HA H 1 4.821 0.01 . . . . . . 53 LYS HA . 17352 1 503 . 1 1 53 53 LYS HB2 H 1 1.679 0.01 . . . . . . 53 LYS HB2 . 17352 1 504 . 1 1 53 53 LYS HB3 H 1 1.538 0.01 . . . . . . 53 LYS HB3 . 17352 1 505 . 1 1 53 53 LYS HG2 H 1 0.938 0.01 . . . . . . 53 LYS HG2 . 17352 1 506 . 1 1 53 53 LYS HG3 H 1 0.841 0.01 . . . . . . 53 LYS HG3 . 17352 1 507 . 1 1 53 53 LYS HD2 H 1 1.901 0.01 . . . . . . 53 LYS HD2 . 17352 1 508 . 1 1 53 53 LYS HE2 H 1 2.897 0.01 . . . . . . 53 LYS HE2 . 17352 1 509 . 1 1 53 53 LYS HE3 H 1 2.733 0.01 . . . . . . 53 LYS HE3 . 17352 1 510 . 1 1 53 53 LYS C C 13 172.611 0.1 . . . . . . 53 LYS CO . 17352 1 511 . 1 1 53 53 LYS CA C 13 55.537 0.1 . . . . . . 53 LYS CA . 17352 1 512 . 1 1 53 53 LYS CB C 13 34.684 0.1 . . . . . . 53 LYS CB . 17352 1 513 . 1 1 53 53 LYS CG C 13 24.064 0.1 . . . . . . 53 LYS CG . 17352 1 514 . 1 1 53 53 LYS CD C 13 29.557 0.1 . . . . . . 53 LYS CD . 17352 1 515 . 1 1 53 53 LYS CE C 13 40.876 0.1 . . . . . . 53 LYS CE . 17352 1 516 . 1 1 53 53 LYS N N 15 111.272 0.01 . . . . . . 53 LYS N . 17352 1 517 . 1 1 54 54 VAL H H 1 8.704 0.01 . . . . . . 54 VAL NH . 17352 1 518 . 1 1 54 54 VAL HA H 1 5.387 0.01 . . . . . . 54 VAL HA . 17352 1 519 . 1 1 54 54 VAL HB H 1 1.329 0.01 . . . . . . 54 VAL HB . 17352 1 520 . 1 1 54 54 VAL HG11 H 1 -0.012 0.01 . . . . . . 54 VAL HG1 . 17352 1 521 . 1 1 54 54 VAL HG12 H 1 -0.012 0.01 . . . . . . 54 VAL HG1 . 17352 1 522 . 1 1 54 54 VAL HG13 H 1 -0.012 0.01 . . . . . . 54 VAL HG1 . 17352 1 523 . 1 1 54 54 VAL HG21 H 1 -0.223 0.01 . . . . . . 54 VAL HG2 . 17352 1 524 . 1 1 54 54 VAL HG22 H 1 -0.223 0.01 . . . . . . 54 VAL HG2 . 17352 1 525 . 1 1 54 54 VAL HG23 H 1 -0.223 0.01 . . . . . . 54 VAL HG2 . 17352 1 526 . 1 1 54 54 VAL C C 13 174.150 0.1 . . . . . . 54 VAL CO . 17352 1 527 . 1 1 54 54 VAL CA C 13 60.565 0.1 . . . . . . 54 VAL CA . 17352 1 528 . 1 1 54 54 VAL CB C 13 36.587 0.1 . . . . . . 54 VAL CB . 17352 1 529 . 1 1 54 54 VAL N N 15 121.986 0.01 . . . . . . 54 VAL N . 17352 1 530 . 1 1 55 55 ILE H H 1 9.001 0.01 . . . . . . 55 ILE NH . 17352 1 531 . 1 1 55 55 ILE HA H 1 5.151 0.01 . . . . . . 55 ILE HA . 17352 1 532 . 1 1 55 55 ILE HB H 1 1.303 0.01 . . . . . . 55 ILE HB . 17352 1 533 . 1 1 55 55 ILE HG21 H 1 0.681 0.01 . . . . . . 55 ILE HG2 . 17352 1 534 . 1 1 55 55 ILE HG22 H 1 0.681 0.01 . . . . . . 55 ILE HG2 . 17352 1 535 . 1 1 55 55 ILE HG23 H 1 0.681 0.01 . . . . . . 55 ILE HG2 . 17352 1 536 . 1 1 55 55 ILE HD11 H 1 0.307 0.01 . . . . . . 55 ILE HD1 . 17352 1 537 . 1 1 55 55 ILE HD12 H 1 0.307 0.01 . . . . . . 55 ILE HD1 . 17352 1 538 . 1 1 55 55 ILE HD13 H 1 0.307 0.01 . . . . . . 55 ILE HD1 . 17352 1 539 . 1 1 55 55 ILE C C 13 173.579 0.1 . . . . . . 55 ILE CO . 17352 1 540 . 1 1 55 55 ILE CA C 13 61.446 0.1 . . . . . . 55 ILE CA . 17352 1 541 . 1 1 55 55 ILE CB C 13 41.770 0.1 . . . . . . 55 ILE CB . 17352 1 542 . 1 1 55 55 ILE N N 15 123.441 0.01 . . . . . . 55 ILE N . 17352 1 543 . 1 1 56 56 TYR H H 1 8.987 0.01 . . . . . . 56 TYR NH . 17352 1 544 . 1 1 56 56 TYR HA H 1 4.217 0.01 . . . . . . 56 TYR HA . 17352 1 545 . 1 1 56 56 TYR HB2 H 1 2.142 0.01 . . . . . . 56 TYR HB2 . 17352 1 546 . 1 1 56 56 TYR HB3 H 1 2.142 0.01 . . . . . . 56 TYR HB3 . 17352 1 547 . 1 1 56 56 TYR C C 13 173.415 0.1 . . . . . . 56 TYR CO . 17352 1 548 . 1 1 56 56 TYR CA C 13 58.006 0.1 . . . . . . 56 TYR CA . 17352 1 549 . 1 1 56 56 TYR CB C 13 40.166 0.1 . . . . . . 56 TYR CB . 17352 1 550 . 1 1 56 56 TYR N N 15 123.424 0.01 . . . . . . 56 TYR N . 17352 1 551 . 1 1 57 57 HIS H H 1 8.847 0.01 . . . . . . 57 HIS NH . 17352 1 552 . 1 1 57 57 HIS CA C 13 56.826 0.1 . . . . . . 57 HIS CA . 17352 1 553 . 1 1 57 57 HIS CB C 13 27.228 0.1 . . . . . . 57 HIS CB . 17352 1 554 . 1 1 57 57 HIS N N 15 123.322 0.01 . . . . . . 57 HIS N . 17352 1 555 . 1 1 58 58 LEU H H 1 8.322 0.01 . . . . . . 58 LEU NH . 17352 1 556 . 1 1 58 58 LEU C C 13 177.232 0.1 . . . . . . 58 LEU CO . 17352 1 557 . 1 1 58 58 LEU CA C 13 55.847 0.1 . . . . . . 58 LEU CA . 17352 1 558 . 1 1 58 58 LEU CB C 13 42.303 0.1 . . . . . . 58 LEU CB . 17352 1 559 . 1 1 58 58 LEU N N 15 123.071 0.01 . . . . . . 58 LEU N . 17352 1 560 . 1 1 59 59 HIS HA H 1 4.544 0.01 . . . . . . 59 HIS HA . 17352 1 561 . 1 1 59 59 HIS CA C 13 57.610 0.1 . . . . . . 59 HIS CA . 17352 1 562 . 1 1 59 59 HIS CB C 13 31.540 0.1 . . . . . . 59 HIS CB . 17352 1 563 . 1 1 60 60 PRO HA H 1 4.217 0.01 . . . . . . 60 PRO HA . 17352 1 564 . 1 1 60 60 PRO HB2 H 1 2.202 0.01 . . . . . . 60 PRO HB2 . 17352 1 565 . 1 1 60 60 PRO HB3 H 1 1.851 0.01 . . . . . . 60 PRO HB3 . 17352 1 566 . 1 1 60 60 PRO HG2 H 1 1.541 0.01 . . . . . . 60 PRO HG2 . 17352 1 567 . 1 1 60 60 PRO HG3 H 1 1.541 0.01 . . . . . . 60 PRO HG3 . 17352 1 568 . 1 1 60 60 PRO C C 13 176.742 0.1 . . . . . . 60 PRO CO . 17352 1 569 . 1 1 60 60 PRO CA C 13 64.809 0.1 . . . . . . 60 PRO CA . 17352 1 570 . 1 1 60 60 PRO CB C 13 31.636 0.1 . . . . . . 60 PRO CB . 17352 1 571 . 1 1 60 60 PRO CG C 13 27.319 0.1 . . . . . . 60 PRO CG . 17352 1 572 . 1 1 61 61 THR H H 1 8.230 0.01 . . . . . . 61 THR NH . 17352 1 573 . 1 1 61 61 THR HA H 1 4.101 0.01 . . . . . . 61 THR HA . 17352 1 574 . 1 1 61 61 THR HG1 H 1 7.626 0.01 . . . . . . 61 THR HG1 . 17352 1 575 . 1 1 61 61 THR HG21 H 1 1.245 0.01 . . . . . . 61 THR HG2 . 17352 1 576 . 1 1 61 61 THR HG22 H 1 1.245 0.01 . . . . . . 61 THR HG2 . 17352 1 577 . 1 1 61 61 THR HG23 H 1 1.245 0.01 . . . . . . 61 THR HG2 . 17352 1 578 . 1 1 61 61 THR C C 13 176.123 0.1 . . . . . . 61 THR CO . 17352 1 579 . 1 1 61 61 THR CA C 13 63.462 0.1 . . . . . . 61 THR CA . 17352 1 580 . 1 1 61 61 THR CB C 13 69.574 0.1 . . . . . . 61 THR CB . 17352 1 581 . 1 1 61 61 THR N N 15 111.244 0.01 . . . . . . 61 THR N . 17352 1 582 . 1 1 62 62 PHE H H 1 8.354 0.01 . . . . . . 62 PHE NH . 17352 1 583 . 1 1 62 62 PHE HA H 1 4.196 0.01 . . . . . . 62 PHE HA . 17352 1 584 . 1 1 62 62 PHE HB2 H 1 2.955 0.01 . . . . . . 62 PHE HB2 . 17352 1 585 . 1 1 62 62 PHE HB3 H 1 2.782 0.01 . . . . . . 62 PHE HB3 . 17352 1 586 . 1 1 62 62 PHE C C 13 175.488 0.1 . . . . . . 62 PHE CO . 17352 1 587 . 1 1 62 62 PHE CA C 13 58.982 0.1 . . . . . . 62 PHE CA . 17352 1 588 . 1 1 62 62 PHE CB C 13 39.252 0.1 . . . . . . 62 PHE CB . 17352 1 589 . 1 1 62 62 PHE N N 15 123.064 0.01 . . . . . . 62 PHE N . 17352 1 590 . 1 1 63 63 ALA H H 1 8.454 0.01 . . . . . . 63 ALA NH . 17352 1 591 . 1 1 63 63 ALA HA H 1 4.090 0.01 . . . . . . 63 ALA HA . 17352 1 592 . 1 1 63 63 ALA HB1 H 1 1.336 0.01 . . . . . . 63 ALA HB . 17352 1 593 . 1 1 63 63 ALA HB2 H 1 1.336 0.01 . . . . . . 63 ALA HB . 17352 1 594 . 1 1 63 63 ALA HB3 H 1 1.336 0.01 . . . . . . 63 ALA HB . 17352 1 595 . 1 1 63 63 ALA C C 13 178.252 0.1 . . . . . . 63 ALA CO . 17352 1 596 . 1 1 63 63 ALA CA C 13 52.656 0.1 . . . . . . 63 ALA CA . 17352 1 597 . 1 1 63 63 ALA CB C 13 18.477 0.1 . . . . . . 63 ALA CB . 17352 1 598 . 1 1 63 63 ALA N N 15 124.556 0.01 . . . . . . 63 ALA N . 17352 1 599 . 1 1 64 64 ASN H H 1 9.066 0.01 . . . . . . 64 ASN NH . 17352 1 600 . 1 1 64 64 ASN HA H 1 4.547 0.01 . . . . . . 64 ASN HA . 17352 1 601 . 1 1 64 64 ASN HB2 H 1 2.882 0.01 . . . . . . 64 ASN HB2 . 17352 1 602 . 1 1 64 64 ASN HB3 H 1 2.752 0.01 . . . . . . 64 ASN HB3 . 17352 1 603 . 1 1 64 64 ASN CB C 13 37.980 0.1 . . . . . . 64 ASN CB . 17352 1 604 . 1 1 64 64 ASN N N 15 115.462 0.01 . . . . . . 64 ASN N . 17352 1 605 . 1 1 65 65 PRO HA H 1 3.977 0.01 . . . . . . 65 PRO HA . 17352 1 606 . 1 1 65 65 PRO HB2 H 1 2.250 0.01 . . . . . . 65 PRO HB2 . 17352 1 607 . 1 1 65 65 PRO HB3 H 1 1.861 0.01 . . . . . . 65 PRO HB3 . 17352 1 608 . 1 1 65 65 PRO HG2 H 1 2.017 0.01 . . . . . . 65 PRO HG2 . 17352 1 609 . 1 1 65 65 PRO HG3 H 1 2.017 0.01 . . . . . . 65 PRO HG3 . 17352 1 610 . 1 1 65 65 PRO C C 13 175.634 0.1 . . . . . . 65 PRO CO . 17352 1 611 . 1 1 65 65 PRO CA C 13 65.425 0.1 . . . . . . 65 PRO CA . 17352 1 612 . 1 1 65 65 PRO CB C 13 31.971 0.1 . . . . . . 65 PRO CB . 17352 1 613 . 1 1 65 65 PRO CG C 13 27.086 0.1 . . . . . . 65 PRO CG . 17352 1 614 . 1 1 66 66 ASN H H 1 7.893 0.01 . . . . . . 66 ASN NH . 17352 1 615 . 1 1 66 66 ASN HA H 1 5.601 0.01 . . . . . . 66 ASN HA . 17352 1 616 . 1 1 66 66 ASN HB2 H 1 2.818 0.01 . . . . . . 66 ASN HB2 . 17352 1 617 . 1 1 66 66 ASN HB3 H 1 2.239 0.01 . . . . . . 66 ASN HB3 . 17352 1 618 . 1 1 66 66 ASN C C 13 174.473 0.1 . . . . . . 66 ASN CO . 17352 1 619 . 1 1 66 66 ASN CA C 13 52.432 0.1 . . . . . . 66 ASN CA . 17352 1 620 . 1 1 66 66 ASN CB C 13 39.160 0.1 . . . . . . 66 ASN CB . 17352 1 621 . 1 1 66 66 ASN N N 15 117.734 0.01 . . . . . . 66 ASN N . 17352 1 622 . 1 1 67 67 ARG H H 1 8.755 0.01 . . . . . . 67 ARG NH . 17352 1 623 . 1 1 67 67 ARG HA H 1 4.547 0.01 . . . . . . 67 ARG HA . 17352 1 624 . 1 1 67 67 ARG HB2 H 1 2.157 0.01 . . . . . . 67 ARG HB2 . 17352 1 625 . 1 1 67 67 ARG HB3 H 1 1.972 0.01 . . . . . . 67 ARG HB3 . 17352 1 626 . 1 1 67 67 ARG HG2 H 1 1.994 0.01 . . . . . . 67 ARG HG2 . 17352 1 627 . 1 1 67 67 ARG HG3 H 1 1.994 0.01 . . . . . . 67 ARG HG3 . 17352 1 628 . 1 1 67 67 ARG HD2 H 1 3.315 0.01 . . . . . . 67 ARG HD2 . 17352 1 629 . 1 1 67 67 ARG HD3 H 1 3.183 0.01 . . . . . . 67 ARG HD3 . 17352 1 630 . 1 1 67 67 ARG CA C 13 54.441 0.1 . . . . . . 67 ARG CA . 17352 1 631 . 1 1 67 67 ARG CB C 13 32.179 0.1 . . . . . . 67 ARG CB . 17352 1 632 . 1 1 67 67 ARG CG C 13 25.864 0.1 . . . . . . 67 ARG CG . 17352 1 633 . 1 1 67 67 ARG CD C 13 42.419 0.1 . . . . . . 67 ARG CD . 17352 1 634 . 1 1 67 67 ARG N N 15 125.572 0.01 . . . . . . 67 ARG N . 17352 1 635 . 1 1 68 68 THR H H 1 8.421 0.01 . . . . . . 68 THR NH . 17352 1 636 . 1 1 68 68 THR HA H 1 4.869 0.01 . . . . . . 68 THR HA . 17352 1 637 . 1 1 68 68 THR HB H 1 3.737 0.01 . . . . . . 68 THR HB . 17352 1 638 . 1 1 68 68 THR HG21 H 1 0.921 0.01 . . . . . . 68 THR HG2 . 17352 1 639 . 1 1 68 68 THR HG22 H 1 0.921 0.01 . . . . . . 68 THR HG2 . 17352 1 640 . 1 1 68 68 THR HG23 H 1 0.921 0.01 . . . . . . 68 THR HG2 . 17352 1 641 . 1 1 68 68 THR C C 13 173.701 0.1 . . . . . . 68 THR CO . 17352 1 642 . 1 1 68 68 THR CA C 13 63.409 0.1 . . . . . . 68 THR CA . 17352 1 643 . 1 1 68 68 THR CB C 13 69.663 0.1 . . . . . . 68 THR CB . 17352 1 644 . 1 1 68 68 THR N N 15 122.028 0.01 . . . . . . 68 THR N . 17352 1 645 . 1 1 69 69 PHE H H 1 9.508 0.01 . . . . . . 69 PHE NH . 17352 1 646 . 1 1 69 69 PHE HA H 1 4.794 0.01 . . . . . . 69 PHE HA . 17352 1 647 . 1 1 69 69 PHE HB2 H 1 3.679 0.01 . . . . . . 69 PHE HB2 . 17352 1 648 . 1 1 69 69 PHE HB3 H 1 2.888 0.01 . . . . . . 69 PHE HB3 . 17352 1 649 . 1 1 69 69 PHE C C 13 175.460 0.1 . . . . . . 69 PHE CO . 17352 1 650 . 1 1 69 69 PHE CA C 13 57.987 0.1 . . . . . . 69 PHE CA . 17352 1 651 . 1 1 69 69 PHE CB C 13 43.380 0.1 . . . . . . 69 PHE CB . 17352 1 652 . 1 1 69 69 PHE N N 15 125.628 0.01 . . . . . . 69 PHE N . 17352 1 653 . 1 1 70 70 THR H H 1 8.839 0.01 . . . . . . 70 THR NH . 17352 1 654 . 1 1 70 70 THR HA H 1 4.865 0.01 . . . . . . 70 THR HA . 17352 1 655 . 1 1 70 70 THR HB H 1 4.642 0.01 . . . . . . 70 THR HB . 17352 1 656 . 1 1 70 70 THR HG21 H 1 1.098 0.01 . . . . . . 70 THR HG2 . 17352 1 657 . 1 1 70 70 THR HG22 H 1 1.098 0.01 . . . . . . 70 THR HG2 . 17352 1 658 . 1 1 70 70 THR HG23 H 1 1.098 0.01 . . . . . . 70 THR HG2 . 17352 1 659 . 1 1 70 70 THR C C 13 173.239 0.1 . . . . . . 70 THR CO . 17352 1 660 . 1 1 70 70 THR CA C 13 62.290 0.1 . . . . . . 70 THR CA . 17352 1 661 . 1 1 70 70 THR CB C 13 70.274 0.1 . . . . . . 70 THR CB . 17352 1 662 . 1 1 70 70 THR N N 15 109.755 0.01 . . . . . . 70 THR N . 17352 1 663 . 1 1 71 71 ASP H H 1 7.820 0.01 . . . . . . 71 ASP NH . 17352 1 664 . 1 1 71 71 ASP HA H 1 5.313 0.01 . . . . . . 71 ASP HA . 17352 1 665 . 1 1 71 71 ASP HB2 H 1 2.463 0.01 . . . . . . 71 ASP HB2 . 17352 1 666 . 1 1 71 71 ASP HB3 H 1 2.463 0.01 . . . . . . 71 ASP HB3 . 17352 1 667 . 1 1 71 71 ASP CA C 13 50.782 0.1 . . . . . . 71 ASP CA . 17352 1 668 . 1 1 71 71 ASP CB C 13 42.735 0.1 . . . . . . 71 ASP CB . 17352 1 669 . 1 1 71 71 ASP N N 15 121.581 0.01 . . . . . . 71 ASP N . 17352 1 670 . 1 1 73 73 PRO HA H 1 4.825 0.01 . . . . . . 73 PRO HA . 17352 1 671 . 1 1 73 73 PRO HB2 H 1 2.484 0.01 . . . . . . 73 PRO HB2 . 17352 1 672 . 1 1 73 73 PRO HB3 H 1 2.005 0.01 . . . . . . 73 PRO HB3 . 17352 1 673 . 1 1 73 73 PRO HG2 H 1 1.865 0.01 . . . . . . 73 PRO HG2 . 17352 1 674 . 1 1 73 73 PRO HG3 H 1 1.865 0.01 . . . . . . 73 PRO HG3 . 17352 1 675 . 1 1 73 73 PRO C C 13 173.615 0.1 . . . . . . 73 PRO CO . 17352 1 676 . 1 1 73 73 PRO CA C 13 64.416 0.1 . . . . . . 73 PRO CA . 17352 1 677 . 1 1 73 73 PRO CB C 13 32.028 0.1 . . . . . . 73 PRO CB . 17352 1 678 . 1 1 73 73 PRO CG C 13 24.837 0.1 . . . . . . 73 PRO CG . 17352 1 679 . 1 1 74 74 PHE H H 1 9.221 0.01 . . . . . . 74 PHE NH . 17352 1 680 . 1 1 74 74 PHE HA H 1 3.871 0.01 . . . . . . 74 PHE HA . 17352 1 681 . 1 1 74 74 PHE HB2 H 1 3.439 0.01 . . . . . . 74 PHE HB2 . 17352 1 682 . 1 1 74 74 PHE HB3 H 1 2.805 0.01 . . . . . . 74 PHE HB3 . 17352 1 683 . 1 1 74 74 PHE C C 13 173.614 0.1 . . . . . . 74 PHE CO . 17352 1 684 . 1 1 74 74 PHE CA C 13 57.728 0.1 . . . . . . 74 PHE CA . 17352 1 685 . 1 1 74 74 PHE CB C 13 35.092 0.1 . . . . . . 74 PHE CB . 17352 1 686 . 1 1 74 74 PHE N N 15 122.322 0.01 . . . . . . 74 PHE N . 17352 1 687 . 1 1 75 75 ARG H H 1 7.550 0.01 . . . . . . 75 ARG NH . 17352 1 688 . 1 1 75 75 ARG HA H 1 4.883 0.01 . . . . . . 75 ARG HA . 17352 1 689 . 1 1 75 75 ARG HB2 H 1 1.556 0.01 . . . . . . 75 ARG HB2 . 17352 1 690 . 1 1 75 75 ARG HB3 H 1 1.341 0.01 . . . . . . 75 ARG HB3 . 17352 1 691 . 1 1 75 75 ARG HG2 H 1 0.945 0.01 . . . . . . 75 ARG HG2 . 17352 1 692 . 1 1 75 75 ARG HG3 H 1 0.945 0.01 . . . . . . 75 ARG HG3 . 17352 1 693 . 1 1 75 75 ARG HD2 H 1 3.128 0.01 . . . . . . 75 ARG HD2 . 17352 1 694 . 1 1 75 75 ARG HD3 H 1 2.915 0.01 . . . . . . 75 ARG HD3 . 17352 1 695 . 1 1 75 75 ARG C C 13 174.573 0.1 . . . . . . 75 ARG CO . 17352 1 696 . 1 1 75 75 ARG CA C 13 55.831 0.1 . . . . . . 75 ARG CA . 17352 1 697 . 1 1 75 75 ARG CB C 13 31.520 0.1 . . . . . . 75 ARG CB . 17352 1 698 . 1 1 75 75 ARG CG C 13 28.308 0.1 . . . . . . 75 ARG CG . 17352 1 699 . 1 1 75 75 ARG CD C 13 43.329 0.1 . . . . . . 75 ARG CD . 17352 1 700 . 1 1 75 75 ARG N N 15 117.192 0.01 . . . . . . 75 ARG N . 17352 1 701 . 1 1 76 76 ILE H H 1 8.528 0.01 . . . . . . 76 ILE NH . 17352 1 702 . 1 1 76 76 ILE HA H 1 4.065 0.01 . . . . . . 76 ILE HA . 17352 1 703 . 1 1 76 76 ILE HB H 1 0.979 0.01 . . . . . . 76 ILE HB . 17352 1 704 . 1 1 76 76 ILE HG12 H 1 1.550 0.01 . . . . . . 76 ILE HG12 . 17352 1 705 . 1 1 76 76 ILE HG13 H 1 0.788 0.01 . . . . . . 76 ILE HG13 . 17352 1 706 . 1 1 76 76 ILE HG21 H 1 0.107 0.01 . . . . . . 76 ILE HG2 . 17352 1 707 . 1 1 76 76 ILE HG22 H 1 0.107 0.01 . . . . . . 76 ILE HG2 . 17352 1 708 . 1 1 76 76 ILE HG23 H 1 0.107 0.01 . . . . . . 76 ILE HG2 . 17352 1 709 . 1 1 76 76 ILE HD11 H 1 0.107 0.01 . . . . . . 76 ILE HD1 . 17352 1 710 . 1 1 76 76 ILE HD12 H 1 0.107 0.01 . . . . . . 76 ILE HD1 . 17352 1 711 . 1 1 76 76 ILE HD13 H 1 0.107 0.01 . . . . . . 76 ILE HD1 . 17352 1 712 . 1 1 76 76 ILE C C 13 172.057 0.1 . . . . . . 76 ILE CO . 17352 1 713 . 1 1 76 76 ILE CA C 13 57.916 0.1 . . . . . . 76 ILE CA . 17352 1 714 . 1 1 76 76 ILE CB C 13 39.075 0.1 . . . . . . 76 ILE CB . 17352 1 715 . 1 1 76 76 ILE CG1 C 13 28.870 0.1 . . . . . . 76 ILE CG1 . 17352 1 716 . 1 1 76 76 ILE CD1 C 13 14.500 0.1 . . . . . . 76 ILE CD1 . 17352 1 717 . 1 1 76 76 ILE N N 15 127.898 0.01 . . . . . . 76 ILE N . 17352 1 718 . 1 1 77 77 GLU H H 1 7.454 0.01 . . . . . . 77 GLU NH . 17352 1 719 . 1 1 77 77 GLU HA H 1 4.880 0.01 . . . . . . 77 GLU HA . 17352 1 720 . 1 1 77 77 GLU HB2 H 1 1.643 0.01 . . . . . . 77 GLU HB2 . 17352 1 721 . 1 1 77 77 GLU HB3 H 1 1.643 0.01 . . . . . . 77 GLU HB3 . 17352 1 722 . 1 1 77 77 GLU HG2 H 1 1.899 0.01 . . . . . . 77 GLU HG2 . 17352 1 723 . 1 1 77 77 GLU HG3 H 1 1.899 0.01 . . . . . . 77 GLU HG3 . 17352 1 724 . 1 1 77 77 GLU C C 13 179.041 0.1 . . . . . . 77 GLU CO . 17352 1 725 . 1 1 77 77 GLU CA C 13 53.990 0.1 . . . . . . 77 GLU CA . 17352 1 726 . 1 1 77 77 GLU CB C 13 32.951 0.1 . . . . . . 77 GLU CB . 17352 1 727 . 1 1 77 77 GLU CG C 13 36.705 0.1 . . . . . . 77 GLU CG . 17352 1 728 . 1 1 77 77 GLU N N 15 124.852 0.01 . . . . . . 77 GLU N . 17352 1 729 . 1 1 78 78 GLU H H 1 8.310 0.01 . . . . . . 78 GLU NH . 17352 1 730 . 1 1 78 78 GLU HA H 1 4.220 0.01 . . . . . . 78 GLU HA . 17352 1 731 . 1 1 78 78 GLU HG2 H 1 2.121 0.01 . . . . . . 78 GLU HG2 . 17352 1 732 . 1 1 78 78 GLU HG3 H 1 2.121 0.01 . . . . . . 78 GLU HG3 . 17352 1 733 . 1 1 78 78 GLU C C 13 174.574 0.1 . . . . . . 78 GLU CO . 17352 1 734 . 1 1 78 78 GLU CA C 13 54.284 0.1 . . . . . . 78 GLU CA . 17352 1 735 . 1 1 78 78 GLU CB C 13 30.717 0.1 . . . . . . 78 GLU CB . 17352 1 736 . 1 1 78 78 GLU N N 15 128.840 0.01 . . . . . . 78 GLU N . 17352 1 737 . 1 1 79 79 GLN H H 1 9.633 0.01 . . . . . . 79 GLN NH . 17352 1 738 . 1 1 79 79 GLN HA H 1 5.662 0.01 . . . . . . 79 GLN HA . 17352 1 739 . 1 1 79 79 GLN HB2 H 1 1.839 0.01 . . . . . . 79 GLN HB2 . 17352 1 740 . 1 1 79 79 GLN HG2 H 1 2.151 0.01 . . . . . . 79 GLN HG2 . 17352 1 741 . 1 1 79 79 GLN HG3 H 1 2.151 0.01 . . . . . . 79 GLN HG3 . 17352 1 742 . 1 1 79 79 GLN C C 13 176.556 0.1 . . . . . . 79 GLN CO . 17352 1 743 . 1 1 79 79 GLN CA C 13 53.527 0.1 . . . . . . 79 GLN CA . 17352 1 744 . 1 1 79 79 GLN CB C 13 33.424 0.1 . . . . . . 79 GLN CB . 17352 1 745 . 1 1 79 79 GLN N N 15 126.625 0.01 . . . . . . 79 GLN N . 17352 1 746 . 1 1 80 80 GLY H H 1 9.160 0.01 . . . . . . 80 GLY NH . 17352 1 747 . 1 1 80 80 GLY HA2 H 1 4.804 0.01 . . . . . . 80 GLY HA2 . 17352 1 748 . 1 1 80 80 GLY HA3 H 1 4.353 0.01 . . . . . . 80 GLY HA3 . 17352 1 749 . 1 1 80 80 GLY C C 13 171.448 0.1 . . . . . . 80 GLY CO . 17352 1 750 . 1 1 80 80 GLY CA C 13 46.418 0.1 . . . . . . 80 GLY CA . 17352 1 751 . 1 1 80 80 GLY N N 15 106.455 0.01 . . . . . . 80 GLY N . 17352 1 752 . 1 1 81 81 TRP H H 1 7.989 0.01 . . . . . . 81 TRP NH . 17352 1 753 . 1 1 81 81 TRP HA H 1 5.397 0.01 . . . . . . 81 TRP HA . 17352 1 754 . 1 1 81 81 TRP HB2 H 1 3.539 0.01 . . . . . . 81 TRP HB2 . 17352 1 755 . 1 1 81 81 TRP HB3 H 1 2.859 0.01 . . . . . . 81 TRP HB3 . 17352 1 756 . 1 1 81 81 TRP C C 13 175.800 0.1 . . . . . . 81 TRP CO . 17352 1 757 . 1 1 81 81 TRP CA C 13 55.141 0.1 . . . . . . 81 TRP CA . 17352 1 758 . 1 1 81 81 TRP CB C 13 31.408 0.1 . . . . . . 81 TRP CB . 17352 1 759 . 1 1 81 81 TRP N N 15 115.961 0.01 . . . . . . 81 TRP N . 17352 1 760 . 1 1 82 82 GLY H H 1 7.304 0.01 . . . . . . 82 GLY NH . 17352 1 761 . 1 1 82 82 GLY HA2 H 1 4.110 0.01 . . . . . . 82 GLY HA2 . 17352 1 762 . 1 1 82 82 GLY HA3 H 1 2.936 0.01 . . . . . . 82 GLY HA3 . 17352 1 763 . 1 1 82 82 GLY C C 13 171.845 0.1 . . . . . . 82 GLY CO . 17352 1 764 . 1 1 82 82 GLY CA C 13 44.681 0.1 . . . . . . 82 GLY CA . 17352 1 765 . 1 1 82 82 GLY N N 15 111.402 0.01 . . . . . . 82 GLY N . 17352 1 766 . 1 1 83 83 GLY H H 1 7.990 0.01 . . . . . . 83 GLY NH . 17352 1 767 . 1 1 83 83 GLY HA2 H 1 3.153 0.01 . . . . . . 83 GLY HA2 . 17352 1 768 . 1 1 83 83 GLY HA3 H 1 2.887 0.01 . . . . . . 83 GLY HA3 . 17352 1 769 . 1 1 83 83 GLY C C 13 172.959 0.1 . . . . . . 83 GLY CO . 17352 1 770 . 1 1 83 83 GLY CA C 13 43.730 0.1 . . . . . . 83 GLY CA . 17352 1 771 . 1 1 83 83 GLY N N 15 110.299 0.01 . . . . . . 83 GLY N . 17352 1 772 . 1 1 84 84 PHE H H 1 7.145 0.01 . . . . . . 84 PHE NH . 17352 1 773 . 1 1 84 84 PHE CB C 13 36.964 0.1 . . . . . . 84 PHE CB . 17352 1 774 . 1 1 84 84 PHE N N 15 115.672 0.01 . . . . . . 84 PHE N . 17352 1 775 . 1 1 85 85 PRO HA H 1 4.562 0.01 . . . . . . 85 PRO HA . 17352 1 776 . 1 1 85 85 PRO HB2 H 1 2.281 0.01 . . . . . . 85 PRO HB2 . 17352 1 777 . 1 1 85 85 PRO HB3 H 1 1.876 0.01 . . . . . . 85 PRO HB3 . 17352 1 778 . 1 1 85 85 PRO HG2 H 1 2.056 0.01 . . . . . . 85 PRO HG2 . 17352 1 779 . 1 1 85 85 PRO HG3 H 1 2.056 0.01 . . . . . . 85 PRO HG3 . 17352 1 780 . 1 1 85 85 PRO C C 13 176.587 0.1 . . . . . . 85 PRO CO . 17352 1 781 . 1 1 85 85 PRO CA C 13 62.875 0.1 . . . . . . 85 PRO CA . 17352 1 782 . 1 1 85 85 PRO CB C 13 32.064 0.1 . . . . . . 85 PRO CB . 17352 1 783 . 1 1 85 85 PRO CG C 13 27.788 0.1 . . . . . . 85 PRO CG . 17352 1 784 . 1 1 86 86 LEU H H 1 8.159 0.01 . . . . . . 86 LEU NH . 17352 1 785 . 1 1 86 86 LEU HA H 1 4.024 0.01 . . . . . . 86 LEU HA . 17352 1 786 . 1 1 86 86 LEU HB2 H 1 1.458 0.01 . . . . . . 86 LEU HB2 . 17352 1 787 . 1 1 86 86 LEU HB3 H 1 1.345 0.01 . . . . . . 86 LEU HB3 . 17352 1 788 . 1 1 86 86 LEU HG H 1 1.427 0.01 . . . . . . 86 LEU HG . 17352 1 789 . 1 1 86 86 LEU HD11 H 1 0.756 0.01 . . . . . . 86 LEU HD1 . 17352 1 790 . 1 1 86 86 LEU HD12 H 1 0.756 0.01 . . . . . . 86 LEU HD1 . 17352 1 791 . 1 1 86 86 LEU HD13 H 1 0.756 0.01 . . . . . . 86 LEU HD1 . 17352 1 792 . 1 1 86 86 LEU HD21 H 1 0.756 0.01 . . . . . . 86 LEU HD2 . 17352 1 793 . 1 1 86 86 LEU HD22 H 1 0.756 0.01 . . . . . . 86 LEU HD2 . 17352 1 794 . 1 1 86 86 LEU HD23 H 1 0.756 0.01 . . . . . . 86 LEU HD2 . 17352 1 795 . 1 1 86 86 LEU C C 13 176.955 0.1 . . . . . . 86 LEU CO . 17352 1 796 . 1 1 86 86 LEU CA C 13 56.320 0.1 . . . . . . 86 LEU CA . 17352 1 797 . 1 1 86 86 LEU CB C 13 42.709 0.1 . . . . . . 86 LEU CB . 17352 1 798 . 1 1 86 86 LEU CG C 13 27.220 0.1 . . . . . . 86 LEU CG . 17352 1 799 . 1 1 86 86 LEU CD1 C 13 24.141 0.1 . . . . . . 86 LEU CD . 17352 1 800 . 1 1 86 86 LEU CD2 C 13 24.141 0.1 . . . . . . 86 LEU CD . 17352 1 801 . 1 1 86 86 LEU N N 15 123.249 0.01 . . . . . . 86 LEU N . 17352 1 802 . 1 1 87 87 ASP H H 1 8.455 0.01 . . . . . . 87 ASP NH . 17352 1 803 . 1 1 87 87 ASP HA H 1 4.643 0.01 . . . . . . 87 ASP HA . 17352 1 804 . 1 1 87 87 ASP HB2 H 1 2.736 0.01 . . . . . . 87 ASP HB2 . 17352 1 805 . 1 1 87 87 ASP HB3 H 1 2.736 0.01 . . . . . . 87 ASP HB3 . 17352 1 806 . 1 1 87 87 ASP C C 13 175.311 0.1 . . . . . . 87 ASP CO . 17352 1 807 . 1 1 87 87 ASP CA C 13 53.677 0.1 . . . . . . 87 ASP CA . 17352 1 808 . 1 1 87 87 ASP CB C 13 37.899 0.1 . . . . . . 87 ASP CB . 17352 1 809 . 1 1 87 87 ASP N N 15 117.522 0.01 . . . . . . 87 ASP N . 17352 1 810 . 1 1 88 88 ILE H H 1 7.914 0.01 . . . . . . 88 ILE NH . 17352 1 811 . 1 1 88 88 ILE HA H 1 4.468 0.01 . . . . . . 88 ILE HA . 17352 1 812 . 1 1 88 88 ILE HB H 1 1.537 0.01 . . . . . . 88 ILE HB . 17352 1 813 . 1 1 88 88 ILE HG21 H 1 0.039 0.01 . . . . . . 88 ILE HG2 . 17352 1 814 . 1 1 88 88 ILE HG22 H 1 0.039 0.01 . . . . . . 88 ILE HG2 . 17352 1 815 . 1 1 88 88 ILE HG23 H 1 0.039 0.01 . . . . . . 88 ILE HG2 . 17352 1 816 . 1 1 88 88 ILE C C 13 176.296 0.1 . . . . . . 88 ILE CO . 17352 1 817 . 1 1 88 88 ILE CA C 13 60.308 0.1 . . . . . . 88 ILE CA . 17352 1 818 . 1 1 88 88 ILE CB C 13 40.357 0.1 . . . . . . 88 ILE CB . 17352 1 819 . 1 1 88 88 ILE N N 15 121.521 0.01 . . . . . . 88 ILE N . 17352 1 820 . 1 1 89 89 SER H H 1 9.249 0.1 . . . . . . 89 SER NH . 17352 1 821 . 1 1 89 89 SER HA H 1 5.028 0.01 . . . . . . 89 SER HA . 17352 1 822 . 1 1 89 89 SER HB2 H 1 3.752 0.01 . . . . . . 89 SER HB2 . 17352 1 823 . 1 1 89 89 SER HB3 H 1 3.411 0.01 . . . . . . 89 SER HB3 . 17352 1 824 . 1 1 89 89 SER CA C 13 58.466 0.1 . . . . . . 89 SER CA . 17352 1 825 . 1 1 89 89 SER N N 15 123.868 0.1 . . . . . . 89 SER N . 17352 1 826 . 1 1 90 90 VAL H H 1 8.593 0.01 . . . . . . 90 VAL NH . 17352 1 827 . 1 1 90 90 VAL HG11 H 1 0.281 0.01 . . . . . . 90 VAL HG1 . 17352 1 828 . 1 1 90 90 VAL HG12 H 1 0.281 0.01 . . . . . . 90 VAL HG1 . 17352 1 829 . 1 1 90 90 VAL HG13 H 1 0.281 0.01 . . . . . . 90 VAL HG1 . 17352 1 830 . 1 1 90 90 VAL HG21 H 1 -0.134 0.01 . . . . . . 90 VAL HG2 . 17352 1 831 . 1 1 90 90 VAL HG22 H 1 -0.134 0.01 . . . . . . 90 VAL HG2 . 17352 1 832 . 1 1 90 90 VAL HG23 H 1 -0.134 0.01 . . . . . . 90 VAL HG2 . 17352 1 833 . 1 1 90 90 VAL C C 13 173.467 0.1 . . . . . . 90 VAL CO . 17352 1 834 . 1 1 90 90 VAL CA C 13 58.303 0.1 . . . . . . 90 VAL CA . 17352 1 835 . 1 1 90 90 VAL CB C 13 31.240 0.1 . . . . . . 90 VAL CB . 17352 1 836 . 1 1 90 90 VAL CG1 C 13 19.871 0.1 . . . . . . 90 VAL CG1 . 17352 1 837 . 1 1 90 90 VAL CG2 C 13 19.871 0.1 . . . . . . 90 VAL CG2 . 17352 1 838 . 1 1 90 90 VAL N N 15 117.055 0.01 . . . . . . 90 VAL N . 17352 1 839 . 1 1 91 91 PHE H H 1 7.892 0.01 . . . . . . 91 PHE NH . 17352 1 840 . 1 1 91 91 PHE HB2 H 1 2.907 0.01 . . . . . . 91 PHE HB2 . 17352 1 841 . 1 1 91 91 PHE HB3 H 1 2.731 0.01 . . . . . . 91 PHE HB3 . 17352 1 842 . 1 1 91 91 PHE C C 13 174.878 0.1 . . . . . . 91 PHE CO . 17352 1 843 . 1 1 91 91 PHE CA C 13 53.560 0.1 . . . . . . 91 PHE CA . 17352 1 844 . 1 1 91 91 PHE CB C 13 39.559 0.1 . . . . . . 91 PHE CB . 17352 1 845 . 1 1 91 91 PHE N N 15 121.754 0.01 . . . . . . 91 PHE N . 17352 1 846 . 1 1 92 92 LEU H H 1 8.693 0.01 . . . . . . 92 LEU NH . 17352 1 847 . 1 1 92 92 LEU HA H 1 4.843 0.01 . . . . . . 92 LEU HA . 17352 1 848 . 1 1 92 92 LEU HB2 H 1 1.824 0.01 . . . . . . 92 LEU HB2 . 17352 1 849 . 1 1 92 92 LEU HB3 H 1 1.639 0.01 . . . . . . 92 LEU HB3 . 17352 1 850 . 1 1 92 92 LEU HD11 H 1 0.825 0.01 . . . . . . 92 LEU HD1 . 17352 1 851 . 1 1 92 92 LEU HD12 H 1 0.825 0.01 . . . . . . 92 LEU HD1 . 17352 1 852 . 1 1 92 92 LEU HD13 H 1 0.825 0.01 . . . . . . 92 LEU HD1 . 17352 1 853 . 1 1 92 92 LEU HD21 H 1 0.825 0.01 . . . . . . 92 LEU HD2 . 17352 1 854 . 1 1 92 92 LEU HD22 H 1 0.825 0.01 . . . . . . 92 LEU HD2 . 17352 1 855 . 1 1 92 92 LEU HD23 H 1 0.825 0.01 . . . . . . 92 LEU HD2 . 17352 1 856 . 1 1 92 92 LEU C C 13 176.842 0.1 . . . . . . 92 LEU CO . 17352 1 857 . 1 1 92 92 LEU CA C 13 55.147 0.1 . . . . . . 92 LEU CA . 17352 1 858 . 1 1 92 92 LEU CB C 13 43.719 0.1 . . . . . . 92 LEU CB . 17352 1 859 . 1 1 92 92 LEU CG C 13 28.586 0.1 . . . . . . 92 LEU CG . 17352 1 860 . 1 1 92 92 LEU CD1 C 13 25.254 0.1 . . . . . . 92 LEU CD1 . 17352 1 861 . 1 1 92 92 LEU CD2 C 13 23.914 0.1 . . . . . . 92 LEU CD2 . 17352 1 862 . 1 1 92 92 LEU N N 15 121.304 0.01 . . . . . . 92 LEU N . 17352 1 863 . 1 1 93 93 LEU H H 1 7.571 0.01 . . . . . . 93 LEU NH . 17352 1 864 . 1 1 93 93 LEU HA H 1 4.112 0.01 . . . . . . 93 LEU HA . 17352 1 865 . 1 1 93 93 LEU HB2 H 1 1.530 0.01 . . . . . . 93 LEU HB2 . 17352 1 866 . 1 1 93 93 LEU HB3 H 1 1.530 0.01 . . . . . . 93 LEU HB3 . 17352 1 867 . 1 1 93 93 LEU HD11 H 1 0.850 0.01 . . . . . . 93 LEU HD1 . 17352 1 868 . 1 1 93 93 LEU HD12 H 1 0.850 0.01 . . . . . . 93 LEU HD1 . 17352 1 869 . 1 1 93 93 LEU HD13 H 1 0.850 0.01 . . . . . . 93 LEU HD1 . 17352 1 870 . 1 1 93 93 LEU HD21 H 1 0.850 0.01 . . . . . . 93 LEU HD2 . 17352 1 871 . 1 1 93 93 LEU HD22 H 1 0.850 0.01 . . . . . . 93 LEU HD2 . 17352 1 872 . 1 1 93 93 LEU HD23 H 1 0.850 0.01 . . . . . . 93 LEU HD2 . 17352 1 873 . 1 1 93 93 LEU C C 13 176.164 0.1 . . . . . . 93 LEU CO . 17352 1 874 . 1 1 93 93 LEU CA C 13 55.647 0.1 . . . . . . 93 LEU CA . 17352 1 875 . 1 1 93 93 LEU CB C 13 43.219 0.1 . . . . . . 93 LEU CB . 17352 1 876 . 1 1 93 93 LEU CG C 13 27.195 0.1 . . . . . . 93 LEU CG . 17352 1 877 . 1 1 93 93 LEU CD1 C 13 25.132 0.1 . . . . . . 93 LEU CD1 . 17352 1 878 . 1 1 93 93 LEU CD2 C 13 22.772 0.1 . . . . . . 93 LEU CD2 . 17352 1 879 . 1 1 93 93 LEU N N 15 117.708 0.01 . . . . . . 93 LEU N . 17352 1 880 . 1 1 94 94 GLU H H 1 8.996 0.01 . . . . . . 94 GLU NH . 17352 1 881 . 1 1 94 94 GLU HA H 1 3.807 0.01 . . . . . . 94 GLU HA . 17352 1 882 . 1 1 94 94 GLU HB2 H 1 2.146 0.01 . . . . . . 94 GLU HB2 . 17352 1 883 . 1 1 94 94 GLU HB3 H 1 1.947 0.01 . . . . . . 94 GLU HB3 . 17352 1 884 . 1 1 94 94 GLU CA C 13 56.846 0.1 . . . . . . 94 GLU CA . 17352 1 885 . 1 1 94 94 GLU CB C 13 26.861 0.1 . . . . . . 94 GLU CB . 17352 1 886 . 1 1 94 94 GLU CG C 13 36.453 0.1 . . . . . . 94 GLU CG . 17352 1 887 . 1 1 94 94 GLU N N 15 115.390 0.01 . . . . . . 94 GLU N . 17352 1 888 . 1 1 95 95 LYS H H 1 8.774 0.01 . . . . . . 95 LYS NH . 17352 1 889 . 1 1 95 95 LYS HA H 1 4.153 0.01 . . . . . . 95 LYS HA . 17352 1 890 . 1 1 95 95 LYS HB2 H 1 1.945 0.01 . . . . . . 95 LYS HB2 . 17352 1 891 . 1 1 95 95 LYS HB3 H 1 1.945 0.01 . . . . . . 95 LYS HB3 . 17352 1 892 . 1 1 95 95 LYS HG2 H 1 1.361 0.01 . . . . . . 95 LYS HG2 . 17352 1 893 . 1 1 95 95 LYS HG3 H 1 1.361 0.01 . . . . . . 95 LYS HG3 . 17352 1 894 . 1 1 95 95 LYS HD2 H 1 1.639 0.01 . . . . . . 95 LYS HD2 . 17352 1 895 . 1 1 95 95 LYS HD3 H 1 1.639 0.01 . . . . . . 95 LYS HD3 . 17352 1 896 . 1 1 95 95 LYS HE2 H 1 2.936 0.01 . . . . . . 95 LYS HE2 . 17352 1 897 . 1 1 95 95 LYS HE3 H 1 2.936 0.01 . . . . . . 95 LYS HE3 . 17352 1 898 . 1 1 95 95 LYS C C 13 178.021 0.1 . . . . . . 95 LYS CO . 17352 1 899 . 1 1 95 95 LYS CA C 13 57.076 0.1 . . . . . . 95 LYS CA . 17352 1 900 . 1 1 95 95 LYS CB C 13 29.748 0.1 . . . . . . 95 LYS CB . 17352 1 901 . 1 1 95 95 LYS CG C 13 25.297 0.1 . . . . . . 95 LYS CG . 17352 1 902 . 1 1 95 95 LYS CE C 13 42.325 0.1 . . . . . . 95 LYS CE . 17352 1 903 . 1 1 95 95 LYS N N 15 113.113 0.01 . . . . . . 95 LYS N . 17352 1 904 . 1 1 96 96 ALA H H 1 7.407 0.01 . . . . . . 96 ALA NH . 17352 1 905 . 1 1 96 96 ALA HA H 1 4.211 0.01 . . . . . . 96 ALA HA . 17352 1 906 . 1 1 96 96 ALA HB1 H 1 1.440 0.01 . . . . . . 96 ALA HB . 17352 1 907 . 1 1 96 96 ALA HB2 H 1 1.440 0.01 . . . . . . 96 ALA HB . 17352 1 908 . 1 1 96 96 ALA HB3 H 1 1.440 0.01 . . . . . . 96 ALA HB . 17352 1 909 . 1 1 96 96 ALA C C 13 177.663 0.1 . . . . . . 96 ALA CO . 17352 1 910 . 1 1 96 96 ALA CA C 13 53.656 0.1 . . . . . . 96 ALA CA . 17352 1 911 . 1 1 96 96 ALA CB C 13 19.436 0.1 . . . . . . 96 ALA CB . 17352 1 912 . 1 1 96 96 ALA N N 15 119.422 0.01 . . . . . . 96 ALA N . 17352 1 913 . 1 1 97 97 GLY H H 1 7.900 0.01 . . . . . . 97 GLY NH . 17352 1 914 . 1 1 97 97 GLY HA2 H 1 4.398 0.01 . . . . . . 97 GLY HA2 . 17352 1 915 . 1 1 97 97 GLY HA3 H 1 3.788 0.01 . . . . . . 97 GLY HA3 . 17352 1 916 . 1 1 97 97 GLY C C 13 171.530 0.1 . . . . . . 97 GLY CO . 17352 1 917 . 1 1 97 97 GLY CA C 13 44.895 0.1 . . . . . . 97 GLY CA . 17352 1 918 . 1 1 97 97 GLY N N 15 105.696 0.01 . . . . . . 97 GLY N . 17352 1 919 . 1 1 98 98 GLU H H 1 8.346 0.01 . . . . . . 98 GLU NH . 17352 1 920 . 1 1 98 98 GLU HA H 1 4.764 0.01 . . . . . . 98 GLU HA . 17352 1 921 . 1 1 98 98 GLU HB2 H 1 1.480 0.01 . . . . . . 98 GLU HB2 . 17352 1 922 . 1 1 98 98 GLU HB3 H 1 1.296 0.01 . . . . . . 98 GLU HB3 . 17352 1 923 . 1 1 98 98 GLU HG2 H 1 2.075 0.01 . . . . . . 98 GLU HG2 . 17352 1 924 . 1 1 98 98 GLU HG3 H 1 2.075 0.01 . . . . . . 98 GLU HG3 . 17352 1 925 . 1 1 98 98 GLU CA C 13 53.921 0.1 . . . . . . 98 GLU CA . 17352 1 926 . 1 1 98 98 GLU CB C 13 32.598 0.1 . . . . . . 98 GLU CB . 17352 1 927 . 1 1 98 98 GLU N N 15 121.004 0.01 . . . . . . 98 GLU N . 17352 1 928 . 1 1 99 99 ARG H H 1 8.492 0.01 . . . . . . 99 ARG NH . 17352 1 929 . 1 1 99 99 ARG HA H 1 4.541 0.01 . . . . . . 99 ARG HA . 17352 1 930 . 1 1 99 99 ARG HB2 H 1 1.508 0.01 . . . . . . 99 ARG HB2 . 17352 1 931 . 1 1 99 99 ARG HB3 H 1 1.508 0.01 . . . . . . 99 ARG HB3 . 17352 1 932 . 1 1 99 99 ARG HG2 H 1 1.195 0.01 . . . . . . 99 ARG HG2 . 17352 1 933 . 1 1 99 99 ARG HG3 H 1 1.195 0.01 . . . . . . 99 ARG HG3 . 17352 1 934 . 1 1 99 99 ARG C C 13 173.448 0.1 . . . . . . 99 ARG CO . 17352 1 935 . 1 1 99 99 ARG CA C 13 53.459 0.1 . . . . . . 99 ARG CA . 17352 1 936 . 1 1 99 99 ARG CB C 13 31.589 0.1 . . . . . . 99 ARG CB . 17352 1 937 . 1 1 99 99 ARG CG C 13 27.026 0.1 . . . . . . 99 ARG CG . 17352 1 938 . 1 1 99 99 ARG CD C 13 42.518 0.1 . . . . . . 99 ARG CD . 17352 1 939 . 1 1 99 99 ARG N N 15 123.310 0.01 . . . . . . 99 ARG N . 17352 1 940 . 1 1 100 100 LYS H H 1 8.532 0.01 . . . . . . 100 LYS NH . 17352 1 941 . 1 1 100 100 LYS HA H 1 4.926 0.01 . . . . . . 100 LYS HA . 17352 1 942 . 1 1 100 100 LYS HB2 H 1 1.459 0.01 . . . . . . 100 LYS HB2 . 17352 1 943 . 1 1 100 100 LYS HB3 H 1 1.459 0.01 . . . . . . 100 LYS HB3 . 17352 1 944 . 1 1 100 100 LYS HG2 H 1 1.084 0.01 . . . . . . 100 LYS HG2 . 17352 1 945 . 1 1 100 100 LYS HG3 H 1 1.084 0.01 . . . . . . 100 LYS HG3 . 17352 1 946 . 1 1 100 100 LYS C C 13 175.620 0.01 . . . . . . 100 LYS CO . 17352 1 947 . 1 1 100 100 LYS CA C 13 55.525 0.1 . . . . . . 100 LYS CA . 17352 1 948 . 1 1 100 100 LYS CB C 13 33.645 0.1 . . . . . . 100 LYS CB . 17352 1 949 . 1 1 100 100 LYS CG C 13 24.926 0.01 . . . . . . 100 LYS CG . 17352 1 950 . 1 1 100 100 LYS CD C 13 29.314 0.01 . . . . . . 100 LYS CD . 17352 1 951 . 1 1 100 100 LYS CE C 13 41.534 0.01 . . . . . . 100 LYS CE . 17352 1 952 . 1 1 100 100 LYS N N 15 124.376 0.01 . . . . . . 100 LYS N . 17352 1 953 . 1 1 101 101 ILE H H 1 9.478 0.01 . . . . . . 101 ILE NH . 17352 1 954 . 1 1 101 101 ILE HA H 1 5.384 0.01 . . . . . . 101 ILE HA . 17352 1 955 . 1 1 101 101 ILE CA C 13 57.392 0.1 . . . . . . 101 ILE CA . 17352 1 956 . 1 1 101 101 ILE CB C 13 40.481 0.1 . . . . . . 101 ILE CB . 17352 1 957 . 1 1 101 101 ILE N N 15 129.033 0.01 . . . . . . 101 ILE N . 17352 1 958 . 1 1 102 102 PRO HA H 1 5.049 0.01 . . . . . . 102 PRO HA . 17352 1 959 . 1 1 102 102 PRO HB2 H 1 2.299 0.01 . . . . . . 102 PRO HB2 . 17352 1 960 . 1 1 102 102 PRO HB3 H 1 1.966 0.01 . . . . . . 102 PRO HB3 . 17352 1 961 . 1 1 102 102 PRO HG2 H 1 2.138 0.01 . . . . . . 102 PRO HG2 . 17352 1 962 . 1 1 102 102 PRO HG3 H 1 2.138 0.01 . . . . . . 102 PRO HG3 . 17352 1 963 . 1 1 102 102 PRO C C 13 176.728 0.1 . . . . . . 102 PRO CO . 17352 1 964 . 1 1 102 102 PRO CA C 13 62.577 0.1 . . . . . . 102 PRO CA . 17352 1 965 . 1 1 102 102 PRO CB C 13 32.479 0.1 . . . . . . 102 PRO CB . 17352 1 966 . 1 1 103 103 HIS H H 1 8.892 0.01 . . . . . . 103 HIS NH . 17352 1 967 . 1 1 103 103 HIS HA H 1 4.858 0.01 . . . . . . 103 HIS HA . 17352 1 968 . 1 1 103 103 HIS HB2 H 1 2.702 0.01 . . . . . . 103 HIS HB2 . 17352 1 969 . 1 1 103 103 HIS HB3 H 1 2.702 0.01 . . . . . . 103 HIS HB3 . 17352 1 970 . 1 1 103 103 HIS C C 13 171.967 0.1 . . . . . . 103 HIS CO . 17352 1 971 . 1 1 103 103 HIS CA C 13 55.911 0.1 . . . . . . 103 HIS CA . 17352 1 972 . 1 1 103 103 HIS CB C 13 35.203 0.1 . . . . . . 103 HIS CB . 17352 1 973 . 1 1 103 103 HIS N N 15 121.234 0.01 . . . . . . 103 HIS N . 17352 1 974 . 1 1 104 104 ASP H H 1 6.923 0.01 . . . . . . 104 ASP NH . 17352 1 975 . 1 1 104 104 ASP HA H 1 4.506 0.01 . . . . . . 104 ASP HA . 17352 1 976 . 1 1 104 104 ASP HB2 H 1 2.194 0.01 . . . . . . 104 ASP HB2 . 17352 1 977 . 1 1 104 104 ASP HB3 H 1 2.194 0.01 . . . . . . 104 ASP HB3 . 17352 1 978 . 1 1 104 104 ASP C C 13 173.879 0.1 . . . . . . 104 ASP CO . 17352 1 979 . 1 1 104 104 ASP CA C 13 53.746 0.1 . . . . . . 104 ASP CA . 17352 1 980 . 1 1 104 104 ASP CB C 13 43.026 0.1 . . . . . . 104 ASP CB . 17352 1 981 . 1 1 104 104 ASP N N 15 125.151 0.01 . . . . . . 104 ASP N . 17352 1 982 . 1 1 105 105 LEU H H 1 7.606 0.01 . . . . . . 105 LEU NH . 17352 1 983 . 1 1 105 105 LEU HA H 1 3.912 0.01 . . . . . . 105 LEU HA . 17352 1 984 . 1 1 105 105 LEU HB2 H 1 0.875 0.01 . . . . . . 105 LEU HB2 . 17352 1 985 . 1 1 105 105 LEU HB3 H 1 0.080 0.01 . . . . . . 105 LEU HB3 . 17352 1 986 . 1 1 105 105 LEU HD11 H 1 -0.057 0.01 . . . . . . 105 LEU HD1 . 17352 1 987 . 1 1 105 105 LEU HD12 H 1 -0.057 0.01 . . . . . . 105 LEU HD1 . 17352 1 988 . 1 1 105 105 LEU HD13 H 1 -0.057 0.01 . . . . . . 105 LEU HD1 . 17352 1 989 . 1 1 105 105 LEU HD21 H 1 -0.649 0.01 . . . . . . 105 LEU HD2 . 17352 1 990 . 1 1 105 105 LEU HD22 H 1 -0.649 0.01 . . . . . . 105 LEU HD2 . 17352 1 991 . 1 1 105 105 LEU HD23 H 1 -0.649 0.01 . . . . . . 105 LEU HD2 . 17352 1 992 . 1 1 105 105 LEU C C 13 172.993 0.1 . . . . . . 105 LEU CO . 17352 1 993 . 1 1 105 105 LEU CA C 13 53.281 0.1 . . . . . . 105 LEU CA . 17352 1 994 . 1 1 105 105 LEU CB C 13 41.073 0.1 . . . . . . 105 LEU CB . 17352 1 995 . 1 1 105 105 LEU CG C 13 30.038 0.1 . . . . . . 105 LEU CG . 17352 1 996 . 1 1 105 105 LEU CD1 C 13 26.391 0.1 . . . . . . 105 LEU CD1 . 17352 1 997 . 1 1 105 105 LEU CD2 C 13 22.745 0.1 . . . . . . 105 LEU CD2 . 17352 1 998 . 1 1 105 105 LEU N N 15 127.715 0.01 . . . . . . 105 LEU N . 17352 1 999 . 1 1 106 106 ASN H H 1 8.000 0.01 . . . . . . 106 ASN NH . 17352 1 1000 . 1 1 106 106 ASN HA H 1 3.917 0.01 . . . . . . 106 ASN HA . 17352 1 1001 . 1 1 106 106 ASN HB2 H 1 2.230 0.01 . . . . . . 106 ASN HB2 . 17352 1 1002 . 1 1 106 106 ASN HB3 H 1 2.230 0.01 . . . . . . 106 ASN HB3 . 17352 1 1003 . 1 1 106 106 ASN HD21 H 1 6.800 0.01 . . . . . . 106 ASN HD21 . 17352 1 1004 . 1 1 106 106 ASN HD22 H 1 7.178 0.01 . . . . . . 106 ASN HD22 . 17352 1 1005 . 1 1 106 106 ASN C C 13 172.490 0.1 . . . . . . 106 ASN CO . 17352 1 1006 . 1 1 106 106 ASN CA C 13 51.271 0.1 . . . . . . 106 ASN CA . 17352 1 1007 . 1 1 106 106 ASN CB C 13 41.535 0.1 . . . . . . 106 ASN CB . 17352 1 1008 . 1 1 106 106 ASN N N 15 123.454 0.01 . . . . . . 106 ASN N . 17352 1 1009 . 1 1 107 107 PHE H H 1 8.157 0.01 . . . . . . 107 PHE NH . 17352 1 1010 . 1 1 107 107 PHE HA H 1 5.132 0.01 . . . . . . 107 PHE HA . 17352 1 1011 . 1 1 107 107 PHE HB2 H 1 3.182 0.01 . . . . . . 107 PHE HB2 . 17352 1 1012 . 1 1 107 107 PHE HB3 H 1 2.599 0.01 . . . . . . 107 PHE HB3 . 17352 1 1013 . 1 1 107 107 PHE C C 13 176.845 0.1 . . . . . . 107 PHE CO . 17352 1 1014 . 1 1 107 107 PHE CA C 13 52.534 0.1 . . . . . . 107 PHE CA . 17352 1 1015 . 1 1 107 107 PHE CB C 13 37.570 0.1 . . . . . . 107 PHE CB . 17352 1 1016 . 1 1 107 107 PHE N N 15 116.327 0.01 . . . . . . 107 PHE N . 17352 1 1017 . 1 1 108 108 LEU H H 1 8.179 0.01 . . . . . . 108 LEU NH . 17352 1 1018 . 1 1 108 108 LEU HA H 1 4.009 0.01 . . . . . . 108 LEU HA . 17352 1 1019 . 1 1 108 108 LEU HB2 H 1 1.525 0.01 . . . . . . 108 LEU HB2 . 17352 1 1020 . 1 1 108 108 LEU HB3 H 1 1.402 0.01 . . . . . . 108 LEU HB3 . 17352 1 1021 . 1 1 108 108 LEU HD11 H 1 0.728 0.01 . . . . . . 108 LEU HD1 . 17352 1 1022 . 1 1 108 108 LEU HD12 H 1 0.728 0.01 . . . . . . 108 LEU HD1 . 17352 1 1023 . 1 1 108 108 LEU HD13 H 1 0.728 0.01 . . . . . . 108 LEU HD1 . 17352 1 1024 . 1 1 108 108 LEU HD21 H 1 0.728 0.01 . . . . . . 108 LEU HD2 . 17352 1 1025 . 1 1 108 108 LEU HD22 H 1 0.728 0.01 . . . . . . 108 LEU HD2 . 17352 1 1026 . 1 1 108 108 LEU HD23 H 1 0.728 0.01 . . . . . . 108 LEU HD2 . 17352 1 1027 . 1 1 108 108 LEU C C 13 177.243 0.1 . . . . . . 108 LEU CO . 17352 1 1028 . 1 1 108 108 LEU CA C 13 57.314 0.1 . . . . . . 108 LEU CA . 17352 1 1029 . 1 1 108 108 LEU CB C 13 41.838 0.1 . . . . . . 108 LEU CB . 17352 1 1030 . 1 1 108 108 LEU CG C 13 27.549 0.1 . . . . . . 108 LEU CG . 17352 1 1031 . 1 1 108 108 LEU CD1 C 13 24.505 0.1 . . . . . . 108 LEU CD1 . 17352 1 1032 . 1 1 108 108 LEU CD2 C 13 22.681 0.1 . . . . . . 108 LEU CD2 . 17352 1 1033 . 1 1 108 108 LEU N N 15 120.695 0.01 . . . . . . 108 LEU N . 17352 1 1034 . 1 1 109 109 GLN H H 1 7.671 0.01 . . . . . . 109 GLN NH . 17352 1 1035 . 1 1 109 109 GLN HA H 1 5.181 0.01 . . . . . . 109 GLN HA . 17352 1 1036 . 1 1 109 109 GLN HB2 H 1 1.823 0.01 . . . . . . 109 GLN HB2 . 17352 1 1037 . 1 1 109 109 GLN HB3 H 1 1.823 0.01 . . . . . . 109 GLN HB3 . 17352 1 1038 . 1 1 109 109 GLN HG2 H 1 2.277 0.01 . . . . . . 109 GLN HG2 . 17352 1 1039 . 1 1 109 109 GLN HG3 H 1 2.064 0.01 . . . . . . 109 GLN HG3 . 17352 1 1040 . 1 1 109 109 GLN C C 13 174.863 0.1 . . . . . . 109 GLN CO . 17352 1 1041 . 1 1 109 109 GLN CB C 13 27.228 0.1 . . . . . . 109 GLN CB . 17352 1 1042 . 1 1 109 109 GLN N N 15 113.799 0.01 . . . . . . 109 GLN N . 17352 1 1043 . 1 1 110 110 GLU H H 1 9.071 0.01 . . . . . . 110 GLU NH . 17352 1 1044 . 1 1 110 110 GLU HA H 1 4.444 0.01 . . . . . . 110 GLU HA . 17352 1 1045 . 1 1 110 110 GLU HB2 H 1 2.217 0.01 . . . . . . 110 GLU HB2 . 17352 1 1046 . 1 1 110 110 GLU HB3 H 1 2.141 0.01 . . . . . . 110 GLU HB3 . 17352 1 1047 . 1 1 110 110 GLU HG2 H 1 2.432 0.01 . . . . . . 110 GLU HG2 . 17352 1 1048 . 1 1 110 110 GLU HG3 H 1 2.432 0.01 . . . . . . 110 GLU HG3 . 17352 1 1049 . 1 1 110 110 GLU C C 13 175.675 0.1 . . . . . . 110 GLU CO . 17352 1 1050 . 1 1 110 110 GLU CA C 13 59.387 0.1 . . . . . . 110 GLU CA . 17352 1 1051 . 1 1 110 110 GLU CB C 13 30.309 0.1 . . . . . . 110 GLU CB . 17352 1 1052 . 1 1 110 110 GLU N N 15 121.468 0.01 . . . . . . 110 GLU N . 17352 1 1053 . 1 1 111 111 SER H H 1 7.558 0.01 . . . . . . 111 SER NH . 17352 1 1054 . 1 1 111 111 SER HA H 1 5.378 0.01 . . . . . . 111 SER HA . 17352 1 1055 . 1 1 111 111 SER HB2 H 1 3.912 0.01 . . . . . . 111 SER HB2 . 17352 1 1056 . 1 1 111 111 SER HB3 H 1 3.912 0.01 . . . . . . 111 SER HB3 . 17352 1 1057 . 1 1 111 111 SER CA C 13 56.998 0.1 . . . . . . 111 SER CA . 17352 1 1058 . 1 1 111 111 SER CB C 13 65.050 0.1 . . . . . . 111 SER CB . 17352 1 1059 . 1 1 111 111 SER N N 15 108.638 0.01 . . . . . . 111 SER N . 17352 1 1060 . 1 1 112 112 TYR H H 1 8.590 0.01 . . . . . . 112 TYR NH . 17352 1 1061 . 1 1 112 112 TYR HA H 1 4.880 0.01 . . . . . . 112 TYR HA . 17352 1 1062 . 1 1 112 112 TYR HB2 H 1 3.216 0.01 . . . . . . 112 TYR HB2 . 17352 1 1063 . 1 1 112 112 TYR HB3 H 1 2.887 0.01 . . . . . . 112 TYR HB3 . 17352 1 1064 . 1 1 112 112 TYR C C 13 174.409 0.1 . . . . . . 112 TYR CO . 17352 1 1065 . 1 1 112 112 TYR CA C 13 57.130 0.1 . . . . . . 112 TYR CA . 17352 1 1066 . 1 1 112 112 TYR CB C 13 39.150 0.1 . . . . . . 112 TYR CB . 17352 1 1067 . 1 1 112 112 TYR N N 15 117.144 0.01 . . . . . . 112 TYR N . 17352 1 1068 . 1 1 113 113 GLU H H 1 9.095 0.01 . . . . . . 113 GLU NH . 17352 1 1069 . 1 1 113 113 GLU HA H 1 5.362 0.01 . . . . . . 113 GLU HA . 17352 1 1070 . 1 1 113 113 GLU HB2 H 1 2.015 0.01 . . . . . . 113 GLU HB2 . 17352 1 1071 . 1 1 113 113 GLU HB3 H 1 1.677 0.01 . . . . . . 113 GLU HB3 . 17352 1 1072 . 1 1 113 113 GLU HG2 H 1 2.149 0.01 . . . . . . 113 GLU HG2 . 17352 1 1073 . 1 1 113 113 GLU HG3 H 1 2.149 0.01 . . . . . . 113 GLU HG3 . 17352 1 1074 . 1 1 113 113 GLU C C 13 175.001 0.1 . . . . . . 113 GLU CO . 17352 1 1075 . 1 1 113 113 GLU CA C 13 55.100 0.1 . . . . . . 113 GLU CA . 17352 1 1076 . 1 1 113 113 GLU CB C 13 33.291 0.1 . . . . . . 113 GLU CB . 17352 1 1077 . 1 1 113 113 GLU CG C 13 36.535 0.1 . . . . . . 113 GLU CG . 17352 1 1078 . 1 1 113 113 GLU N N 15 122.200 0.01 . . . . . . 113 GLU N . 17352 1 1079 . 1 1 114 114 VAL H H 1 8.450 0.01 . . . . . . 114 VAL NH . 17352 1 1080 . 1 1 114 114 VAL HA H 1 4.458 0.01 . . . . . . 114 VAL HA . 17352 1 1081 . 1 1 114 114 VAL HB H 1 2.037 0.01 . . . . . . 114 VAL HB . 17352 1 1082 . 1 1 114 114 VAL HG11 H 1 1.193 0.01 . . . . . . 114 VAL HG1 . 17352 1 1083 . 1 1 114 114 VAL HG12 H 1 1.193 0.01 . . . . . . 114 VAL HG1 . 17352 1 1084 . 1 1 114 114 VAL HG13 H 1 1.193 0.01 . . . . . . 114 VAL HG1 . 17352 1 1085 . 1 1 114 114 VAL HG21 H 1 1.026 0.01 . . . . . . 114 VAL HG2 . 17352 1 1086 . 1 1 114 114 VAL HG22 H 1 1.026 0.01 . . . . . . 114 VAL HG2 . 17352 1 1087 . 1 1 114 114 VAL HG23 H 1 1.026 0.01 . . . . . . 114 VAL HG2 . 17352 1 1088 . 1 1 114 114 VAL C C 13 174.209 0.1 . . . . . . 114 VAL CO . 17352 1 1089 . 1 1 114 114 VAL CA C 13 61.312 0.1 . . . . . . 114 VAL CA . 17352 1 1090 . 1 1 114 114 VAL CB C 13 35.779 0.1 . . . . . . 114 VAL CB . 17352 1 1091 . 1 1 114 114 VAL N N 15 120.218 0.01 . . . . . . 114 VAL N . 17352 1 1092 . 1 1 115 115 GLU H H 1 8.498 0.01 . . . . . . 115 GLU NH . 17352 1 1093 . 1 1 115 115 GLU HA H 1 5.491 0.01 . . . . . . 115 GLU HA . 17352 1 1094 . 1 1 115 115 GLU HB2 H 1 1.733 0.01 . . . . . . 115 GLU HB2 . 17352 1 1095 . 1 1 115 115 GLU HB3 H 1 1.733 0.01 . . . . . . 115 GLU HB3 . 17352 1 1096 . 1 1 115 115 GLU HG2 H 1 2.107 0.01 . . . . . . 115 GLU HG2 . 17352 1 1097 . 1 1 115 115 GLU HG3 H 1 2.107 0.01 . . . . . . 115 GLU HG3 . 17352 1 1098 . 1 1 115 115 GLU C C 13 175.678 0.1 . . . . . . 115 GLU CO . 17352 1 1099 . 1 1 115 115 GLU CA C 13 54.978 0.1 . . . . . . 115 GLU CA . 17352 1 1100 . 1 1 115 115 GLU CB C 13 32.008 0.1 . . . . . . 115 GLU CB . 17352 1 1101 . 1 1 115 115 GLU CG C 13 37.153 0.1 . . . . . . 115 GLU CG . 17352 1 1102 . 1 1 115 115 GLU N N 15 125.229 0.01 . . . . . . 115 GLU N . 17352 1 1103 . 1 1 116 116 HIS H H 1 8.646 0.01 . . . . . . 116 HIS NH . 17352 1 1104 . 1 1 116 116 HIS HA H 1 4.742 0.01 . . . . . . 116 HIS HA . 17352 1 1105 . 1 1 116 116 HIS HB2 H 1 2.878 0.01 . . . . . . 116 HIS HB2 . 17352 1 1106 . 1 1 116 116 HIS HB3 H 1 2.452 0.01 . . . . . . 116 HIS HB3 . 17352 1 1107 . 1 1 116 116 HIS C C 13 173.543 0.1 . . . . . . 116 HIS CO . 17352 1 1108 . 1 1 116 116 HIS CA C 13 55.451 0.1 . . . . . . 116 HIS CA . 17352 1 1109 . 1 1 116 116 HIS CB C 13 35.682 0.1 . . . . . . 116 HIS CB . 17352 1 1110 . 1 1 116 116 HIS N N 15 118.488 0.01 . . . . . . 116 HIS N . 17352 1 1111 . 1 1 117 117 VAL H H 1 8.850 0.01 . . . . . . 117 VAL NH . 17352 1 1112 . 1 1 117 117 VAL HA H 1 4.712 0.01 . . . . . . 117 VAL HA . 17352 1 1113 . 1 1 117 117 VAL HB H 1 1.913 0.01 . . . . . . 117 VAL HB . 17352 1 1114 . 1 1 117 117 VAL HG11 H 1 0.923 0.01 . . . . . . 117 VAL HG1 . 17352 1 1115 . 1 1 117 117 VAL HG12 H 1 0.923 0.01 . . . . . . 117 VAL HG1 . 17352 1 1116 . 1 1 117 117 VAL HG13 H 1 0.923 0.01 . . . . . . 117 VAL HG1 . 17352 1 1117 . 1 1 117 117 VAL HG21 H 1 0.800 0.01 . . . . . . 117 VAL HG2 . 17352 1 1118 . 1 1 117 117 VAL HG22 H 1 0.800 0.01 . . . . . . 117 VAL HG2 . 17352 1 1119 . 1 1 117 117 VAL HG23 H 1 0.800 0.01 . . . . . . 117 VAL HG2 . 17352 1 1120 . 1 1 117 117 VAL CA C 13 62.160 0.1 . . . . . . 117 VAL CA . 17352 1 1121 . 1 1 117 117 VAL CB C 13 32.413 0.1 . . . . . . 117 VAL CB . 17352 1 1122 . 1 1 117 117 VAL CG1 C 13 21.491 0.1 . . . . . . 117 VAL CG1 . 17352 1 1123 . 1 1 117 117 VAL CG2 C 13 21.491 0.1 . . . . . . 117 VAL CG2 . 17352 1 1124 . 1 1 117 117 VAL N N 15 123.308 0.01 . . . . . . 117 VAL N . 17352 1 1125 . 1 1 118 118 ILE H H 1 9.465 0.01 . . . . . . 118 ILE NH . 17352 1 1126 . 1 1 118 118 ILE HA H 1 4.580 0.01 . . . . . . 118 ILE HA . 17352 1 1127 . 1 1 118 118 ILE HB H 1 1.691 0.01 . . . . . . 118 ILE HB . 17352 1 1128 . 1 1 118 118 ILE HG12 H 1 1.375 0.01 . . . . . . 118 ILE HG12 . 17352 1 1129 . 1 1 118 118 ILE HG13 H 1 1.116 0.01 . . . . . . 118 ILE HG13 . 17352 1 1130 . 1 1 118 118 ILE HG21 H 1 0.778 0.01 . . . . . . 118 ILE HG2 . 17352 1 1131 . 1 1 118 118 ILE HG22 H 1 0.778 0.01 . . . . . . 118 ILE HG2 . 17352 1 1132 . 1 1 118 118 ILE HG23 H 1 0.778 0.01 . . . . . . 118 ILE HG2 . 17352 1 1133 . 1 1 118 118 ILE HD11 H 1 0.778 0.01 . . . . . . 118 ILE HD1 . 17352 1 1134 . 1 1 118 118 ILE HD12 H 1 0.778 0.01 . . . . . . 118 ILE HD1 . 17352 1 1135 . 1 1 118 118 ILE HD13 H 1 0.778 0.01 . . . . . . 118 ILE HD1 . 17352 1 1136 . 1 1 118 118 ILE C C 13 173.608 0.1 . . . . . . 118 ILE CO . 17352 1 1137 . 1 1 118 118 ILE CA C 13 58.651 0.1 . . . . . . 118 ILE CA . 17352 1 1138 . 1 1 118 118 ILE CB C 13 40.940 0.1 . . . . . . 118 ILE CB . 17352 1 1139 . 1 1 118 118 ILE CG1 C 13 26.587 0.1 . . . . . . 118 ILE CG1 . 17352 1 1140 . 1 1 118 118 ILE CG2 C 13 16.821 0.1 . . . . . . 118 ILE CG2 . 17352 1 1141 . 1 1 118 118 ILE N N 15 125.797 0.01 . . . . . . 118 ILE N . 17352 1 1142 . 1 1 119 119 GLN H H 1 8.603 0.01 . . . . . . 119 GLN NH . 17352 1 1143 . 1 1 119 119 GLN HA H 1 5.004 0.01 . . . . . . 119 GLN HA . 17352 1 1144 . 1 1 119 119 GLN HB2 H 1 2.502 0.01 . . . . . . 119 GLN HB2 . 17352 1 1145 . 1 1 119 119 GLN HB3 H 1 2.049 0.01 . . . . . . 119 GLN HB3 . 17352 1 1146 . 1 1 119 119 GLN C C 13 175.690 0.1 . . . . . . 119 GLN CO . 17352 1 1147 . 1 1 119 119 GLN CA C 13 54.561 0.1 . . . . . . 119 GLN CA . 17352 1 1148 . 1 1 119 119 GLN CB C 13 29.514 0.1 . . . . . . 119 GLN CB . 17352 1 1149 . 1 1 119 119 GLN N N 15 123.092 0.01 . . . . . . 119 GLN N . 17352 1 1150 . 1 1 120 120 ILE H H 1 9.072 0.01 . . . . . . 120 ILE NH . 17352 1 1151 . 1 1 120 120 ILE CA C 13 57.461 0.1 . . . . . . 120 ILE CA . 17352 1 1152 . 1 1 120 120 ILE CB C 13 39.471 0.1 . . . . . . 120 ILE CB . 17352 1 1153 . 1 1 120 120 ILE N N 15 121.573 0.01 . . . . . . 120 ILE N . 17352 1 1154 . 1 1 121 121 PRO HA H 1 4.874 0.01 . . . . . . 121 PRO HA . 17352 1 1155 . 1 1 121 121 PRO HB2 H 1 2.263 0.01 . . . . . . 121 PRO HB2 . 17352 1 1156 . 1 1 121 121 PRO HB3 H 1 2.018 0.01 . . . . . . 121 PRO HB3 . 17352 1 1157 . 1 1 121 121 PRO HG2 H 1 1.785 0.01 . . . . . . 121 PRO HG2 . 17352 1 1158 . 1 1 121 121 PRO HG3 H 1 1.785 0.01 . . . . . . 121 PRO HG3 . 17352 1 1159 . 1 1 121 121 PRO C C 13 176.050 0.1 . . . . . . 121 PRO CO . 17352 1 1160 . 1 1 121 121 PRO CA C 13 62.748 0.1 . . . . . . 121 PRO CA . 17352 1 1161 . 1 1 121 121 PRO CB C 13 32.278 0.1 . . . . . . 121 PRO CB . 17352 1 1162 . 1 1 122 122 LEU H H 1 8.928 0.01 . . . . . . 122 LEU NH . 17352 1 1163 . 1 1 122 122 LEU HA H 1 4.982 0.01 . . . . . . 122 LEU HA . 17352 1 1164 . 1 1 122 122 LEU HB2 H 1 2.036 0.01 . . . . . . 122 LEU HB2 . 17352 1 1165 . 1 1 122 122 LEU HB3 H 1 1.857 0.01 . . . . . . 122 LEU HB3 . 17352 1 1166 . 1 1 122 122 LEU HG H 1 1.630 0.01 . . . . . . 122 LEU HG . 17352 1 1167 . 1 1 122 122 LEU HD11 H 1 0.833 0.01 . . . . . . 122 LEU HD1 . 17352 1 1168 . 1 1 122 122 LEU HD12 H 1 0.833 0.01 . . . . . . 122 LEU HD1 . 17352 1 1169 . 1 1 122 122 LEU HD13 H 1 0.833 0.01 . . . . . . 122 LEU HD1 . 17352 1 1170 . 1 1 122 122 LEU HD21 H 1 0.641 0.01 . . . . . . 122 LEU HD2 . 17352 1 1171 . 1 1 122 122 LEU HD22 H 1 0.641 0.01 . . . . . . 122 LEU HD2 . 17352 1 1172 . 1 1 122 122 LEU HD23 H 1 0.641 0.01 . . . . . . 122 LEU HD2 . 17352 1 1173 . 1 1 122 122 LEU C C 13 174.009 0.1 . . . . . . 122 LEU CO . 17352 1 1174 . 1 1 122 122 LEU CA C 13 56.129 0.1 . . . . . . 122 LEU CA . 17352 1 1175 . 1 1 122 122 LEU CB C 13 42.762 0.1 . . . . . . 122 LEU CB . 17352 1 1176 . 1 1 122 122 LEU CD1 C 13 27.710 0.1 . . . . . . 122 LEU CD . 17352 1 1177 . 1 1 122 122 LEU CD2 C 13 27.710 0.1 . . . . . . 122 LEU CD . 17352 1 1178 . 1 1 122 122 LEU N N 15 120.404 0.01 . . . . . . 122 LEU N . 17352 1 1179 . 1 1 123 123 ASN H H 1 7.824 0.01 . . . . . . 123 ASN NH . 17352 1 1180 . 1 1 123 123 ASN HA H 1 5.382 0.01 . . . . . . 123 ASN HA . 17352 1 1181 . 1 1 123 123 ASN HB2 H 1 2.383 0.01 . . . . . . 123 ASN HB2 . 17352 1 1182 . 1 1 123 123 ASN HB3 H 1 2.276 0.01 . . . . . . 123 ASN HB3 . 17352 1 1183 . 1 1 123 123 ASN HD21 H 1 6.604 0.01 . . . . . . 123 ASN HD21 . 17352 1 1184 . 1 1 123 123 ASN HD22 H 1 6.973 0.01 . . . . . . 123 ASN HD22 . 17352 1 1185 . 1 1 123 123 ASN C C 13 176.235 0.1 . . . . . . 123 ASN CO . 17352 1 1186 . 1 1 123 123 ASN CA C 13 53.483 0.1 . . . . . . 123 ASN CA . 17352 1 1187 . 1 1 123 123 ASN CB C 13 38.010 0.1 . . . . . . 123 ASN CB . 17352 1 1188 . 1 1 123 123 ASN N N 15 118.697 0.01 . . . . . . 123 ASN N . 17352 1 stop_ save_