data_17554 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17554 _Entry.Title ; solution structure of tandem UBA of USP13 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-03-29 _Entry.Accession_date 2011-03-29 _Entry.Last_release_date 2012-03-05 _Entry.Original_release_date 2012-03-05 _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 Yuhang Zhang . . . 17554 2 Chenjie Zhou . . . 17554 3 Ziren Zhou . . . 17554 4 Aixin Song . . . 17554 5 Hongyu Hun . . . 17554 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' . 17554 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'tandem UBA of USP13' . 17554 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17554 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 351 17554 '15N chemical shifts' 119 17554 '1H chemical shifts' 702 17554 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-03-05 2011-03-29 original author . 17554 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LBC 'BMRB Entry Tracking System' 17554 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17554 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22216260 _Citation.Full_citation . _Citation.Title 'Domain Analysis Reveals That a Deubiquitinating Enzyme USP13 Performs Non-Activating Catalysis for Lys63-Linked Polyubiquitin' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Plos One' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue 12 _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 e29362 _Citation.Page_last e29362 _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 Yuhang Zhang . . . 17554 1 2 Chenjie Zhou . . . 17554 1 3 Ziren Zhou . . . 17554 1 4 Aixin Song . . . 17554 1 5 Hongyuhu Hu . . . 17554 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17554 _Assembly.ID 1 _Assembly.Name 'tandem UBA of USP13' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'tandem UBA of USP13' 1 $USP13 A . yes native no no . . . 17554 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_USP13 _Entity.Sf_category entity _Entity.Sf_framecode USP13 _Entity.Entry_ID 17554 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'tandem UBA of USP13' _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 ; DIDESSVMQLAEMGFPLEAC RKAVYFTGNMGAEVAFNWII VHMEEPDFAEPLTMPGYGGA ASAGASVFGASGLDNQPPEE IVAIITSMGFQRNQAIQALR ATNNNLERALDWIFSHPEFE EDSDFV ; _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 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13769.365 _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 2LBC . "Solution Structure Of Tandem Uba Of Usp13" . . . . . 100.00 126 100.00 100.00 3.09e-86 . . . . 17554 1 2 no DBJ BAF83027 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 863 100.00 100.00 4.00e-79 . . . . 17554 1 3 no DBJ BAG63715 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 798 100.00 100.00 1.10e-79 . . . . 17554 1 4 no EMBL CAL38193 . "hypothetical protein [synthetic construct]" . . . . . 100.00 863 100.00 100.00 3.10e-79 . . . . 17554 1 5 no EMBL CAL38270 . "hypothetical protein [synthetic construct]" . . . . . 100.00 863 100.00 100.00 3.84e-79 . . . . 17554 1 6 no EMBL CAL38486 . "hypothetical protein [synthetic construct]" . . . . . 100.00 863 100.00 100.00 3.84e-79 . . . . 17554 1 7 no EMBL CAL38655 . "hypothetical protein [synthetic construct]" . . . . . 100.00 863 100.00 100.00 3.76e-79 . . . . 17554 1 8 no GB AAC63405 . "isopeptidase T-3 [Homo sapiens]" . . . . . 100.00 863 100.00 100.00 3.40e-79 . . . . 17554 1 9 no GB AAH16146 . "Ubiquitin specific peptidase 13 (isopeptidase T-3) [Homo sapiens]" . . . . . 100.00 863 100.00 100.00 2.82e-79 . . . . 17554 1 10 no GB ABM83398 . "ubiquitin specific peptidase 13 (isopeptidase T-3) [synthetic construct]" . . . . . 100.00 863 100.00 100.00 2.82e-79 . . . . 17554 1 11 no GB ABM86610 . "ubiquitin specific peptidase 13 (isopeptidase T-3) [synthetic construct]" . . . . . 100.00 863 100.00 100.00 2.82e-79 . . . . 17554 1 12 no GB ADM34989 . "ubiquitin specific protease 13 [Homo sapiens]" . . . . . 100.00 863 100.00 100.00 2.82e-79 . . . . 17554 1 13 no REF NP_001252567 . "ubiquitin carboxyl-terminal hydrolase 13 [Macaca mulatta]" . . . . . 100.00 863 99.21 100.00 6.90e-79 . . . . 17554 1 14 no REF NP_003931 . "ubiquitin carboxyl-terminal hydrolase 13 [Homo sapiens]" . . . . . 100.00 863 100.00 100.00 2.82e-79 . . . . 17554 1 15 no REF XP_002814369 . "PREDICTED: ubiquitin carboxyl-terminal hydrolase 13, partial [Pongo abelii]" . . . . . 100.00 293 100.00 100.00 5.27e-84 . . . . 17554 1 16 no REF XP_003310172 . "PREDICTED: ubiquitin carboxyl-terminal hydrolase 13 isoform X1 [Pan troglodytes]" . . . . . 100.00 863 99.21 100.00 5.62e-79 . . . . 17554 1 17 no REF XP_003434175 . "PREDICTED: ubiquitin carboxyl-terminal hydrolase 13 [Canis lupus familiaris]" . . . . . 100.00 863 98.41 99.21 3.45e-78 . . . . 17554 1 18 no SP Q92995 . "RecName: Full=Ubiquitin carboxyl-terminal hydrolase 13; AltName: Full=Deubiquitinating enzyme 13; AltName: Full=Isopeptidase T-" . . . . . 100.00 863 100.00 100.00 2.82e-79 . . . . 17554 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 . ASP . 17554 1 2 . ILE . 17554 1 3 . ASP . 17554 1 4 . GLU . 17554 1 5 . SER . 17554 1 6 . SER . 17554 1 7 . VAL . 17554 1 8 . MET . 17554 1 9 . GLN . 17554 1 10 . LEU . 17554 1 11 . ALA . 17554 1 12 . GLU . 17554 1 13 . MET . 17554 1 14 . GLY . 17554 1 15 . PHE . 17554 1 16 . PRO . 17554 1 17 . LEU . 17554 1 18 . GLU . 17554 1 19 . ALA . 17554 1 20 . CYS . 17554 1 21 . ARG . 17554 1 22 . LYS . 17554 1 23 . ALA . 17554 1 24 . VAL . 17554 1 25 . TYR . 17554 1 26 . PHE . 17554 1 27 . THR . 17554 1 28 . GLY . 17554 1 29 . ASN . 17554 1 30 . MET . 17554 1 31 . GLY . 17554 1 32 . ALA . 17554 1 33 . GLU . 17554 1 34 . VAL . 17554 1 35 . ALA . 17554 1 36 . PHE . 17554 1 37 . ASN . 17554 1 38 . TRP . 17554 1 39 . ILE . 17554 1 40 . ILE . 17554 1 41 . VAL . 17554 1 42 . HIS . 17554 1 43 . MET . 17554 1 44 . GLU . 17554 1 45 . GLU . 17554 1 46 . PRO . 17554 1 47 . ASP . 17554 1 48 . PHE . 17554 1 49 . ALA . 17554 1 50 . GLU . 17554 1 51 . PRO . 17554 1 52 . LEU . 17554 1 53 . THR . 17554 1 54 . MET . 17554 1 55 . PRO . 17554 1 56 . GLY . 17554 1 57 . TYR . 17554 1 58 . GLY . 17554 1 59 . GLY . 17554 1 60 . ALA . 17554 1 61 . ALA . 17554 1 62 . SER . 17554 1 63 . ALA . 17554 1 64 . GLY . 17554 1 65 . ALA . 17554 1 66 . SER . 17554 1 67 . VAL . 17554 1 68 . PHE . 17554 1 69 . GLY . 17554 1 70 . ALA . 17554 1 71 . SER . 17554 1 72 . GLY . 17554 1 73 . LEU . 17554 1 74 . ASP . 17554 1 75 . ASN . 17554 1 76 . GLN . 17554 1 77 . PRO . 17554 1 78 . PRO . 17554 1 79 . GLU . 17554 1 80 . GLU . 17554 1 81 . ILE . 17554 1 82 . VAL . 17554 1 83 . ALA . 17554 1 84 . ILE . 17554 1 85 . ILE . 17554 1 86 . THR . 17554 1 87 . SER . 17554 1 88 . MET . 17554 1 89 . GLY . 17554 1 90 . PHE . 17554 1 91 . GLN . 17554 1 92 . ARG . 17554 1 93 . ASN . 17554 1 94 . GLN . 17554 1 95 . ALA . 17554 1 96 . ILE . 17554 1 97 . GLN . 17554 1 98 . ALA . 17554 1 99 . LEU . 17554 1 100 . ARG . 17554 1 101 . ALA . 17554 1 102 . THR . 17554 1 103 . ASN . 17554 1 104 . ASN . 17554 1 105 . ASN . 17554 1 106 . LEU . 17554 1 107 . GLU . 17554 1 108 . ARG . 17554 1 109 . ALA . 17554 1 110 . LEU . 17554 1 111 . ASP . 17554 1 112 . TRP . 17554 1 113 . ILE . 17554 1 114 . PHE . 17554 1 115 . SER . 17554 1 116 . HIS . 17554 1 117 . PRO . 17554 1 118 . GLU . 17554 1 119 . PHE . 17554 1 120 . GLU . 17554 1 121 . GLU . 17554 1 122 . ASP . 17554 1 123 . SER . 17554 1 124 . ASP . 17554 1 125 . PHE . 17554 1 126 . VAL . 17554 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 . ASP 1 1 17554 1 . ILE 2 2 17554 1 . ASP 3 3 17554 1 . GLU 4 4 17554 1 . SER 5 5 17554 1 . SER 6 6 17554 1 . VAL 7 7 17554 1 . MET 8 8 17554 1 . GLN 9 9 17554 1 . LEU 10 10 17554 1 . ALA 11 11 17554 1 . GLU 12 12 17554 1 . MET 13 13 17554 1 . GLY 14 14 17554 1 . PHE 15 15 17554 1 . PRO 16 16 17554 1 . LEU 17 17 17554 1 . GLU 18 18 17554 1 . ALA 19 19 17554 1 . CYS 20 20 17554 1 . ARG 21 21 17554 1 . LYS 22 22 17554 1 . ALA 23 23 17554 1 . VAL 24 24 17554 1 . TYR 25 25 17554 1 . PHE 26 26 17554 1 . THR 27 27 17554 1 . GLY 28 28 17554 1 . ASN 29 29 17554 1 . MET 30 30 17554 1 . GLY 31 31 17554 1 . ALA 32 32 17554 1 . GLU 33 33 17554 1 . VAL 34 34 17554 1 . ALA 35 35 17554 1 . PHE 36 36 17554 1 . ASN 37 37 17554 1 . TRP 38 38 17554 1 . ILE 39 39 17554 1 . ILE 40 40 17554 1 . VAL 41 41 17554 1 . HIS 42 42 17554 1 . MET 43 43 17554 1 . GLU 44 44 17554 1 . GLU 45 45 17554 1 . PRO 46 46 17554 1 . ASP 47 47 17554 1 . PHE 48 48 17554 1 . ALA 49 49 17554 1 . GLU 50 50 17554 1 . PRO 51 51 17554 1 . LEU 52 52 17554 1 . THR 53 53 17554 1 . MET 54 54 17554 1 . PRO 55 55 17554 1 . GLY 56 56 17554 1 . TYR 57 57 17554 1 . GLY 58 58 17554 1 . GLY 59 59 17554 1 . ALA 60 60 17554 1 . ALA 61 61 17554 1 . SER 62 62 17554 1 . ALA 63 63 17554 1 . GLY 64 64 17554 1 . ALA 65 65 17554 1 . SER 66 66 17554 1 . VAL 67 67 17554 1 . PHE 68 68 17554 1 . GLY 69 69 17554 1 . ALA 70 70 17554 1 . SER 71 71 17554 1 . GLY 72 72 17554 1 . LEU 73 73 17554 1 . ASP 74 74 17554 1 . ASN 75 75 17554 1 . GLN 76 76 17554 1 . PRO 77 77 17554 1 . PRO 78 78 17554 1 . GLU 79 79 17554 1 . GLU 80 80 17554 1 . ILE 81 81 17554 1 . VAL 82 82 17554 1 . ALA 83 83 17554 1 . ILE 84 84 17554 1 . ILE 85 85 17554 1 . THR 86 86 17554 1 . SER 87 87 17554 1 . MET 88 88 17554 1 . GLY 89 89 17554 1 . PHE 90 90 17554 1 . GLN 91 91 17554 1 . ARG 92 92 17554 1 . ASN 93 93 17554 1 . GLN 94 94 17554 1 . ALA 95 95 17554 1 . ILE 96 96 17554 1 . GLN 97 97 17554 1 . ALA 98 98 17554 1 . LEU 99 99 17554 1 . ARG 100 100 17554 1 . ALA 101 101 17554 1 . THR 102 102 17554 1 . ASN 103 103 17554 1 . ASN 104 104 17554 1 . ASN 105 105 17554 1 . LEU 106 106 17554 1 . GLU 107 107 17554 1 . ARG 108 108 17554 1 . ALA 109 109 17554 1 . LEU 110 110 17554 1 . ASP 111 111 17554 1 . TRP 112 112 17554 1 . ILE 113 113 17554 1 . PHE 114 114 17554 1 . SER 115 115 17554 1 . HIS 116 116 17554 1 . PRO 117 117 17554 1 . GLU 118 118 17554 1 . PHE 119 119 17554 1 . GLU 120 120 17554 1 . GLU 121 121 17554 1 . ASP 122 122 17554 1 . SER 123 123 17554 1 . ASP 124 124 17554 1 . PHE 125 125 17554 1 . VAL 126 126 17554 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 17554 _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 $USP13 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17554 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 17554 _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 $USP13 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-32M . . . . . . 17554 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17554 _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 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17554 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17554 1 3 entity '[U-100% 15N]' . . 1 $USP13 . . 1 . . mM . . . . 17554 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17554 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17554 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17554 _Sample.ID 2 _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 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17554 2 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17554 2 3 entity '[U-100% 13C; U-100% 15N]' . . 1 $USP13 . . 1 . . mM . . . . 17554 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17554 2 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17554 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 17554 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 17554 1 pressure 1 . atm 17554 1 temperature 298 . K 17554 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA2.0 _Software.Sf_category software _Software.Sf_framecode ARIA2.0 _Software.Entry_ID 17554 _Software.ID 1 _Software.Name ARIA2.0 _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 17554 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17554 1 'structure solution' 17554 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17554 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17554 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17554 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17554 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17554 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17554 3 'peak picking' 17554 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17554 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17554 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17554 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 17554 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 17554 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17554 5 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 17554 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17554 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 17554 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 17554 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17554 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17554 1 3 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17554 1 4 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17554 1 5 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17554 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17554 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17554 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17554 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17554 _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 . . . . . . . . . 17554 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17554 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17554 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 17554 _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' . . . 17554 1 2 '3D CBCA(CO)NH' . . . 17554 1 3 '3D HNCACB' . . . 17554 1 4 '3D C(CO)NH' . . . 17554 1 5 '3D HNHA' . . . 17554 1 6 '3D HCCH-TOCSY' . . . 17554 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASP HA H 1 4.589 0.004 . 1 . . . A 1 ASP HA . 17554 1 2 . 1 1 1 1 ASP HB2 H 1 2.694 0.016 . 2 . . . A 1 ASP HB2 . 17554 1 3 . 1 1 1 1 ASP HB3 H 1 2.589 0.003 . 2 . . . A 1 ASP HB3 . 17554 1 4 . 1 1 1 1 ASP H H 1 8.471 0.001 . 1 . . . A 1 ASP H1 . 17554 1 5 . 1 1 1 1 ASP CA C 13 54.789 0.051 . 1 . . . A 1 ASP CA . 17554 1 6 . 1 1 1 1 ASP CB C 13 41.492 0.058 . 1 . . . A 1 ASP CB . 17554 1 7 . 1 1 1 1 ASP N N 15 121.831 0.029 . 1 . . . A 1 ASP N . 17554 1 8 . 1 1 2 2 ILE H H 1 7.746 0.006 . 1 . . . A 2 ILE H . 17554 1 9 . 1 1 2 2 ILE HA H 1 3.919 0.008 . 1 . . . A 2 ILE HA . 17554 1 10 . 1 1 2 2 ILE HB H 1 1.646 0.007 . 1 . . . A 2 ILE HB . 17554 1 11 . 1 1 2 2 ILE HG12 H 1 1.398 0.009 . 2 . . . A 2 ILE HG12 . 17554 1 12 . 1 1 2 2 ILE HG13 H 1 0.873 0.006 . 2 . . . A 2 ILE HG13 . 17554 1 13 . 1 1 2 2 ILE HG21 H 1 0.682 0.006 . 1 . . . A 2 ILE HG21 . 17554 1 14 . 1 1 2 2 ILE HG22 H 1 0.682 0.006 . 1 . . . A 2 ILE HG21 . 17554 1 15 . 1 1 2 2 ILE HG23 H 1 0.682 0.006 . 1 . . . A 2 ILE HG21 . 17554 1 16 . 1 1 2 2 ILE HD11 H 1 0.660 0.006 . 1 . . . A 2 ILE HD11 . 17554 1 17 . 1 1 2 2 ILE HD12 H 1 0.660 0.006 . 1 . . . A 2 ILE HD11 . 17554 1 18 . 1 1 2 2 ILE HD13 H 1 0.660 0.006 . 1 . . . A 2 ILE HD11 . 17554 1 19 . 1 1 2 2 ILE CA C 13 60.653 0.069 . 1 . . . A 2 ILE CA . 17554 1 20 . 1 1 2 2 ILE CB C 13 41.029 0.085 . 1 . . . A 2 ILE CB . 17554 1 21 . 1 1 2 2 ILE CG1 C 13 27.081 0.049 . 1 . . . A 2 ILE CG1 . 17554 1 22 . 1 1 2 2 ILE CG2 C 13 18.189 0.078 . 1 . . . A 2 ILE CG2 . 17554 1 23 . 1 1 2 2 ILE CD1 C 13 13.839 0.046 . 1 . . . A 2 ILE CD1 . 17554 1 24 . 1 1 2 2 ILE N N 15 117.266 0.045 . 1 . . . A 2 ILE N . 17554 1 25 . 1 1 3 3 ASP H H 1 8.328 0.007 . 1 . . . A 3 ASP H . 17554 1 26 . 1 1 3 3 ASP HA H 1 4.606 0.003 . 1 . . . A 3 ASP HA . 17554 1 27 . 1 1 3 3 ASP HB2 H 1 2.821 0.013 . 2 . . . A 3 ASP HB2 . 17554 1 28 . 1 1 3 3 ASP HB3 H 1 2.752 0.003 . 2 . . . A 3 ASP HB3 . 17554 1 29 . 1 1 3 3 ASP CA C 13 54.349 0.104 . 1 . . . A 3 ASP CA . 17554 1 30 . 1 1 3 3 ASP CB C 13 41.214 0.072 . 1 . . . A 3 ASP CB . 17554 1 31 . 1 1 3 3 ASP N N 15 125.895 0.054 . 1 . . . A 3 ASP N . 17554 1 32 . 1 1 4 4 GLU H H 1 8.991 0.004 . 1 . . . A 4 GLU H . 17554 1 33 . 1 1 4 4 GLU HA H 1 3.948 0.008 . 1 . . . A 4 GLU HA . 17554 1 34 . 1 1 4 4 GLU HB2 H 1 2.074 0.006 . 2 . . . A 4 GLU HB2 . 17554 1 35 . 1 1 4 4 GLU HG2 H 1 2.340 0.005 . 2 . . . A 4 GLU HG2 . 17554 1 36 . 1 1 4 4 GLU CA C 13 58.981 0.087 . 1 . . . A 4 GLU CA . 17554 1 37 . 1 1 4 4 GLU CB C 13 29.631 0.095 . 1 . . . A 4 GLU CB . 17554 1 38 . 1 1 4 4 GLU CG C 13 36.427 0.099 . 1 . . . A 4 GLU CG . 17554 1 39 . 1 1 4 4 GLU N N 15 128.620 0.056 . 1 . . . A 4 GLU N . 17554 1 40 . 1 1 5 5 SER H H 1 8.634 0.007 . 1 . . . A 5 SER H . 17554 1 41 . 1 1 5 5 SER HA H 1 4.254 0.008 . 1 . . . A 5 SER HA . 17554 1 42 . 1 1 5 5 SER HB2 H 1 4.004 0.005 . 2 . . . A 5 SER HB2 . 17554 1 43 . 1 1 5 5 SER CA C 13 61.961 0.157 . 1 . . . A 5 SER CA . 17554 1 44 . 1 1 5 5 SER CB C 13 62.222 0.016 . 1 . . . A 5 SER CB . 17554 1 45 . 1 1 5 5 SER N N 15 115.342 0.039 . 1 . . . A 5 SER N . 17554 1 46 . 1 1 6 6 SER H H 1 7.670 0.006 . 1 . . . A 6 SER H . 17554 1 47 . 1 1 6 6 SER HA H 1 4.354 0.004 . 1 . . . A 6 SER HA . 17554 1 48 . 1 1 6 6 SER HB2 H 1 3.610 0.008 . 2 . . . A 6 SER HB2 . 17554 1 49 . 1 1 6 6 SER CA C 13 61.729 0.076 . 1 . . . A 6 SER CA . 17554 1 50 . 1 1 6 6 SER CB C 13 63.366 0.067 . 1 . . . A 6 SER CB . 17554 1 51 . 1 1 6 6 SER N N 15 119.418 0.035 . 1 . . . A 6 SER N . 17554 1 52 . 1 1 7 7 VAL H H 1 7.286 0.012 . 1 . . . A 7 VAL H . 17554 1 53 . 1 1 7 7 VAL HA H 1 3.234 0.013 . 1 . . . A 7 VAL HA . 17554 1 54 . 1 1 7 7 VAL HB H 1 2.255 0.011 . 1 . . . A 7 VAL HB . 17554 1 55 . 1 1 7 7 VAL HG11 H 1 0.892 0.008 . 2 . . . A 7 VAL HG11 . 17554 1 56 . 1 1 7 7 VAL HG12 H 1 0.892 0.008 . 2 . . . A 7 VAL HG11 . 17554 1 57 . 1 1 7 7 VAL HG13 H 1 0.892 0.008 . 2 . . . A 7 VAL HG11 . 17554 1 58 . 1 1 7 7 VAL HG21 H 1 0.839 0.011 . 2 . . . A 7 VAL HG21 . 17554 1 59 . 1 1 7 7 VAL HG22 H 1 0.839 0.011 . 2 . . . A 7 VAL HG21 . 17554 1 60 . 1 1 7 7 VAL HG23 H 1 0.839 0.011 . 2 . . . A 7 VAL HG21 . 17554 1 61 . 1 1 7 7 VAL CA C 13 67.151 0.035 . 1 . . . A 7 VAL CA . 17554 1 62 . 1 1 7 7 VAL CB C 13 31.792 0.092 . 1 . . . A 7 VAL CB . 17554 1 63 . 1 1 7 7 VAL CG1 C 13 24.107 0.053 . 2 . . . A 7 VAL CG1 . 17554 1 64 . 1 1 7 7 VAL CG2 C 13 21.909 0.089 . 2 . . . A 7 VAL CG2 . 17554 1 65 . 1 1 7 7 VAL N N 15 120.774 0.039 . 1 . . . A 7 VAL N . 17554 1 66 . 1 1 8 8 MET H H 1 8.244 0.006 . 1 . . . A 8 MET H . 17554 1 67 . 1 1 8 8 MET HA H 1 4.356 0.009 . 1 . . . A 8 MET HA . 17554 1 68 . 1 1 8 8 MET HB2 H 1 2.184 0.007 . 2 . . . A 8 MET HB2 . 17554 1 69 . 1 1 8 8 MET HG2 H 1 2.792 0.009 . 2 . . . A 8 MET HG2 . 17554 1 70 . 1 1 8 8 MET HG3 H 1 2.699 0.007 . 2 . . . A 8 MET HG3 . 17554 1 71 . 1 1 8 8 MET CA C 13 57.482 0.077 . 1 . . . A 8 MET CA . 17554 1 72 . 1 1 8 8 MET CB C 13 31.341 0.055 . 1 . . . A 8 MET CB . 17554 1 73 . 1 1 8 8 MET CG C 13 32.409 0.082 . 1 . . . A 8 MET CG . 17554 1 74 . 1 1 8 8 MET N N 15 116.159 0.042 . 1 . . . A 8 MET N . 17554 1 75 . 1 1 9 9 GLN H H 1 7.855 0.004 . 1 . . . A 9 GLN H . 17554 1 76 . 1 1 9 9 GLN HA H 1 4.101 0.006 . 1 . . . A 9 GLN HA . 17554 1 77 . 1 1 9 9 GLN HB2 H 1 2.294 0.020 . 2 . . . A 9 GLN HB2 . 17554 1 78 . 1 1 9 9 GLN HB3 H 1 2.055 0.013 . 2 . . . A 9 GLN HB3 . 17554 1 79 . 1 1 9 9 GLN HG2 H 1 2.582 0.007 . 2 . . . A 9 GLN HG2 . 17554 1 80 . 1 1 9 9 GLN CA C 13 59.331 0.114 . 1 . . . A 9 GLN CA . 17554 1 81 . 1 1 9 9 GLN CB C 13 28.880 0.049 . 1 . . . A 9 GLN CB . 17554 1 82 . 1 1 9 9 GLN CG C 13 34.367 0.046 . 1 . . . A 9 GLN CG . 17554 1 83 . 1 1 9 9 GLN N N 15 119.708 0.031 . 1 . . . A 9 GLN N . 17554 1 84 . 1 1 10 10 LEU H H 1 7.432 0.012 . 1 . . . A 10 LEU H . 17554 1 85 . 1 1 10 10 LEU HA H 1 4.463 0.011 . 1 . . . A 10 LEU HA . 17554 1 86 . 1 1 10 10 LEU HB2 H 1 2.024 0.008 . 2 . . . A 10 LEU HB2 . 17554 1 87 . 1 1 10 10 LEU HB3 H 1 1.805 0.006 . 2 . . . A 10 LEU HB3 . 17554 1 88 . 1 1 10 10 LEU HG H 1 2.035 0.006 . 1 . . . A 10 LEU HG . 17554 1 89 . 1 1 10 10 LEU HD11 H 1 0.985 0.006 . 2 . . . A 10 LEU HD11 . 17554 1 90 . 1 1 10 10 LEU HD12 H 1 0.985 0.006 . 2 . . . A 10 LEU HD11 . 17554 1 91 . 1 1 10 10 LEU HD13 H 1 0.985 0.006 . 2 . . . A 10 LEU HD11 . 17554 1 92 . 1 1 10 10 LEU HD21 H 1 1.145 0.008 . 2 . . . A 10 LEU HD21 . 17554 1 93 . 1 1 10 10 LEU HD22 H 1 1.145 0.008 . 2 . . . A 10 LEU HD21 . 17554 1 94 . 1 1 10 10 LEU HD23 H 1 1.145 0.008 . 2 . . . A 10 LEU HD21 . 17554 1 95 . 1 1 10 10 LEU CA C 13 57.438 0.061 . 1 . . . A 10 LEU CA . 17554 1 96 . 1 1 10 10 LEU CB C 13 42.943 0.039 . 1 . . . A 10 LEU CB . 17554 1 97 . 1 1 10 10 LEU CG C 13 27.223 0.055 . 1 . . . A 10 LEU CG . 17554 1 98 . 1 1 10 10 LEU CD1 C 13 27.147 0.087 . 2 . . . A 10 LEU CD1 . 17554 1 99 . 1 1 10 10 LEU CD2 C 13 23.156 0.061 . 2 . . . A 10 LEU CD2 . 17554 1 100 . 1 1 10 10 LEU N N 15 118.986 0.036 . 1 . . . A 10 LEU N . 17554 1 101 . 1 1 11 11 ALA H H 1 8.797 0.007 . 1 . . . A 11 ALA H . 17554 1 102 . 1 1 11 11 ALA HA H 1 4.411 0.010 . 1 . . . A 11 ALA HA . 17554 1 103 . 1 1 11 11 ALA HB1 H 1 1.582 0.005 . 1 . . . A 11 ALA HB1 . 17554 1 104 . 1 1 11 11 ALA HB2 H 1 1.582 0.005 . 1 . . . A 11 ALA HB1 . 17554 1 105 . 1 1 11 11 ALA HB3 H 1 1.582 0.005 . 1 . . . A 11 ALA HB1 . 17554 1 106 . 1 1 11 11 ALA CA C 13 55.259 0.062 . 1 . . . A 11 ALA CA . 17554 1 107 . 1 1 11 11 ALA CB C 13 17.734 0.060 . 1 . . . A 11 ALA CB . 17554 1 108 . 1 1 11 11 ALA N N 15 125.146 0.035 . 1 . . . A 11 ALA N . 17554 1 109 . 1 1 12 12 GLU H H 1 8.178 0.005 . 1 . . . A 12 GLU H . 17554 1 110 . 1 1 12 12 GLU HA H 1 4.117 0.003 . 1 . . . A 12 GLU HA . 17554 1 111 . 1 1 12 12 GLU HB2 H 1 2.173 0.006 . 2 . . . A 12 GLU HB2 . 17554 1 112 . 1 1 12 12 GLU HG2 H 1 2.521 0.005 . 2 . . . A 12 GLU HG2 . 17554 1 113 . 1 1 12 12 GLU HG3 H 1 2.380 0.007 . 2 . . . A 12 GLU HG3 . 17554 1 114 . 1 1 12 12 GLU CA C 13 58.473 0.071 . 1 . . . A 12 GLU CA . 17554 1 115 . 1 1 12 12 GLU CB C 13 29.531 0.054 . 1 . . . A 12 GLU CB . 17554 1 116 . 1 1 12 12 GLU CG C 13 36.765 0.041 . 1 . . . A 12 GLU CG . 17554 1 117 . 1 1 12 12 GLU N N 15 119.871 0.029 . 1 . . . A 12 GLU N . 17554 1 118 . 1 1 13 13 MET H H 1 7.619 0.015 . 1 . . . A 13 MET H . 17554 1 119 . 1 1 13 13 MET HA H 1 4.296 0.009 . 1 . . . A 13 MET HA . 17554 1 120 . 1 1 13 13 MET HB2 H 1 2.283 0.011 . 2 . . . A 13 MET HB2 . 17554 1 121 . 1 1 13 13 MET HG2 H 1 3.065 0.008 . 2 . . . A 13 MET HG2 . 17554 1 122 . 1 1 13 13 MET HG3 H 1 2.608 0.005 . 2 . . . A 13 MET HG3 . 17554 1 123 . 1 1 13 13 MET CA C 13 56.797 0.089 . 1 . . . A 13 MET CA . 17554 1 124 . 1 1 13 13 MET CB C 13 33.221 0.184 . 1 . . . A 13 MET CB . 17554 1 125 . 1 1 13 13 MET CG C 13 32.985 0.098 . 1 . . . A 13 MET CG . 17554 1 126 . 1 1 13 13 MET N N 15 116.292 0.059 . 1 . . . A 13 MET N . 17554 1 127 . 1 1 14 14 GLY H H 1 7.873 0.006 . 1 . . . A 14 GLY H . 17554 1 128 . 1 1 14 14 GLY HA2 H 1 4.128 0.007 . 1 . . . A 14 GLY HA2 . 17554 1 129 . 1 1 14 14 GLY HA3 H 1 3.601 0.004 . 2 . . . A 14 GLY HA3 . 17554 1 130 . 1 1 14 14 GLY CA C 13 44.860 0.116 . 1 . . . A 14 GLY CA . 17554 1 131 . 1 1 14 14 GLY N N 15 104.580 0.123 . 1 . . . A 14 GLY N . 17554 1 132 . 1 1 15 15 PHE H H 1 6.623 0.018 . 1 . . . A 15 PHE H . 17554 1 133 . 1 1 15 15 PHE HA H 1 5.017 0.006 . 1 . . . A 15 PHE HA . 17554 1 134 . 1 1 15 15 PHE HB2 H 1 3.053 0.010 . 2 . . . A 15 PHE HB2 . 17554 1 135 . 1 1 15 15 PHE HB3 H 1 2.631 0.008 . 2 . . . A 15 PHE HB3 . 17554 1 136 . 1 1 15 15 PHE CA C 13 56.352 0.058 . 1 . . . A 15 PHE CA . 17554 1 137 . 1 1 15 15 PHE CB C 13 39.395 0.052 . 1 . . . A 15 PHE CB . 17554 1 138 . 1 1 15 15 PHE N N 15 118.802 0.055 . 1 . . . A 15 PHE N . 17554 1 139 . 1 1 16 16 PRO HA H 1 4.530 0.006 . 1 . . . A 16 PRO HA . 17554 1 140 . 1 1 16 16 PRO HB2 H 1 2.636 0.003 . 2 . . . A 16 PRO HB2 . 17554 1 141 . 1 1 16 16 PRO HB3 H 1 1.884 0.006 . 2 . . . A 16 PRO HB3 . 17554 1 142 . 1 1 16 16 PRO HG2 H 1 2.356 0.006 . 2 . . . A 16 PRO HG2 . 17554 1 143 . 1 1 16 16 PRO HG3 H 1 2.193 0.008 . 2 . . . A 16 PRO HG3 . 17554 1 144 . 1 1 16 16 PRO HD2 H 1 4.420 0.009 . 2 . . . A 16 PRO HD2 . 17554 1 145 . 1 1 16 16 PRO HD3 H 1 3.740 0.008 . 2 . . . A 16 PRO HD3 . 17554 1 146 . 1 1 16 16 PRO CA C 13 63.064 0.081 . 1 . . . A 16 PRO CA . 17554 1 147 . 1 1 16 16 PRO CB C 13 32.293 0.062 . 1 . . . A 16 PRO CB . 17554 1 148 . 1 1 16 16 PRO CG C 13 28.190 0.085 . 1 . . . A 16 PRO CG . 17554 1 149 . 1 1 16 16 PRO CD C 13 50.789 0.050 . 1 . . . A 16 PRO CD . 17554 1 150 . 1 1 17 17 LEU H H 1 9.041 0.005 . 1 . . . A 17 LEU H . 17554 1 151 . 1 1 17 17 LEU HA H 1 3.945 0.006 . 1 . . . A 17 LEU HA . 17554 1 152 . 1 1 17 17 LEU HB2 H 1 1.740 0.008 . 2 . . . A 17 LEU HB2 . 17554 1 153 . 1 1 17 17 LEU HB3 H 1 1.665 0.005 . 2 . . . A 17 LEU HB3 . 17554 1 154 . 1 1 17 17 LEU HG H 1 1.500 0.004 . 1 . . . A 17 LEU HG . 17554 1 155 . 1 1 17 17 LEU HD11 H 1 0.896 0.005 . 2 . . . A 17 LEU HD11 . 17554 1 156 . 1 1 17 17 LEU HD12 H 1 0.896 0.005 . 2 . . . A 17 LEU HD11 . 17554 1 157 . 1 1 17 17 LEU HD13 H 1 0.896 0.005 . 2 . . . A 17 LEU HD11 . 17554 1 158 . 1 1 17 17 LEU HD21 H 1 0.881 0.006 . 2 . . . A 17 LEU HD21 . 17554 1 159 . 1 1 17 17 LEU HD22 H 1 0.881 0.006 . 2 . . . A 17 LEU HD21 . 17554 1 160 . 1 1 17 17 LEU HD23 H 1 0.881 0.006 . 2 . . . A 17 LEU HD21 . 17554 1 161 . 1 1 17 17 LEU CA C 13 59.601 0.089 . 1 . . . A 17 LEU CA . 17554 1 162 . 1 1 17 17 LEU CB C 13 42.248 0.063 . 1 . . . A 17 LEU CB . 17554 1 163 . 1 1 17 17 LEU CG C 13 27.401 0.055 . 1 . . . A 17 LEU CG . 17554 1 164 . 1 1 17 17 LEU CD1 C 13 25.024 0.014 . 2 . . . A 17 LEU CD1 . 17554 1 165 . 1 1 17 17 LEU CD2 C 13 24.056 0.013 . 2 . . . A 17 LEU CD2 . 17554 1 166 . 1 1 17 17 LEU N N 15 128.389 0.042 . 1 . . . A 17 LEU N . 17554 1 167 . 1 1 18 18 GLU H H 1 9.267 0.002 . 1 . . . A 18 GLU H . 17554 1 168 . 1 1 18 18 GLU HA H 1 4.067 0.011 . 1 . . . A 18 GLU HA . 17554 1 169 . 1 1 18 18 GLU HB2 H 1 1.831 0.005 . 2 . . . A 18 GLU HB2 . 17554 1 170 . 1 1 18 18 GLU HB3 H 1 1.723 0.007 . 2 . . . A 18 GLU HB3 . 17554 1 171 . 1 1 18 18 GLU HG2 H 1 2.390 0.005 . 2 . . . A 18 GLU HG2 . 17554 1 172 . 1 1 18 18 GLU HG3 H 1 2.214 0.002 . 2 . . . A 18 GLU HG3 . 17554 1 173 . 1 1 18 18 GLU CA C 13 59.139 0.113 . 1 . . . A 18 GLU CA . 17554 1 174 . 1 1 18 18 GLU CB C 13 28.874 0.065 . 1 . . . A 18 GLU CB . 17554 1 175 . 1 1 18 18 GLU CG C 13 35.649 0.121 . 1 . . . A 18 GLU CG . 17554 1 176 . 1 1 18 18 GLU N N 15 114.837 0.050 . 1 . . . A 18 GLU N . 17554 1 177 . 1 1 19 19 ALA H H 1 6.838 0.005 . 1 . . . A 19 ALA H . 17554 1 178 . 1 1 19 19 ALA HA H 1 3.918 0.008 . 1 . . . A 19 ALA HA . 17554 1 179 . 1 1 19 19 ALA HB1 H 1 0.796 0.006 . 1 . . . A 19 ALA HB1 . 17554 1 180 . 1 1 19 19 ALA HB2 H 1 0.796 0.006 . 1 . . . A 19 ALA HB1 . 17554 1 181 . 1 1 19 19 ALA HB3 H 1 0.796 0.006 . 1 . . . A 19 ALA HB1 . 17554 1 182 . 1 1 19 19 ALA CA C 13 54.872 0.060 . 1 . . . A 19 ALA CA . 17554 1 183 . 1 1 19 19 ALA CB C 13 17.972 0.053 . 1 . . . A 19 ALA CB . 17554 1 184 . 1 1 19 19 ALA N N 15 119.137 0.029 . 1 . . . A 19 ALA N . 17554 1 185 . 1 1 20 20 CYS H H 1 7.610 0.008 . 1 . . . A 20 CYS H . 17554 1 186 . 1 1 20 20 CYS HA H 1 3.891 0.011 . 1 . . . A 20 CYS HA . 17554 1 187 . 1 1 20 20 CYS HB2 H 1 3.504 0.008 . 2 . . . A 20 CYS HB2 . 17554 1 188 . 1 1 20 20 CYS HB3 H 1 2.735 0.008 . 2 . . . A 20 CYS HB3 . 17554 1 189 . 1 1 20 20 CYS CA C 13 63.356 0.092 . 1 . . . A 20 CYS CA . 17554 1 190 . 1 1 20 20 CYS CB C 13 28.018 0.047 . 1 . . . A 20 CYS CB . 17554 1 191 . 1 1 20 20 CYS N N 15 116.877 0.042 . 1 . . . A 20 CYS N . 17554 1 192 . 1 1 21 21 ARG H H 1 7.965 0.008 . 1 . . . A 21 ARG H . 17554 1 193 . 1 1 21 21 ARG HA H 1 3.696 0.006 . 1 . . . A 21 ARG HA . 17554 1 194 . 1 1 21 21 ARG HB2 H 1 1.742 0.011 . 2 . . . A 21 ARG HB2 . 17554 1 195 . 1 1 21 21 ARG HB3 H 1 1.673 0.006 . 2 . . . A 21 ARG HB3 . 17554 1 196 . 1 1 21 21 ARG HG2 H 1 1.759 0.003 . 2 . . . A 21 ARG HG2 . 17554 1 197 . 1 1 21 21 ARG HG3 H 1 1.459 0.006 . 2 . . . A 21 ARG HG3 . 17554 1 198 . 1 1 21 21 ARG HD2 H 1 3.114 0.004 . 2 . . . A 21 ARG HD2 . 17554 1 199 . 1 1 21 21 ARG HD3 H 1 3.034 0.006 . 2 . . . A 21 ARG HD3 . 17554 1 200 . 1 1 21 21 ARG CA C 13 60.192 0.067 . 1 . . . A 21 ARG CA . 17554 1 201 . 1 1 21 21 ARG CB C 13 30.175 0.075 . 1 . . . A 21 ARG CB . 17554 1 202 . 1 1 21 21 ARG CG C 13 29.003 0.008 . 1 . . . A 21 ARG CG . 17554 1 203 . 1 1 21 21 ARG CD C 13 43.033 0.046 . 1 . . . A 21 ARG CD . 17554 1 204 . 1 1 21 21 ARG N N 15 117.434 0.053 . 1 . . . A 21 ARG N . 17554 1 205 . 1 1 22 22 LYS H H 1 7.392 0.005 . 1 . . . A 22 LYS H . 17554 1 206 . 1 1 22 22 LYS HA H 1 3.412 0.008 . 1 . . . A 22 LYS HA . 17554 1 207 . 1 1 22 22 LYS HB2 H 1 1.640 0.006 . 2 . . . A 22 LYS HB2 . 17554 1 208 . 1 1 22 22 LYS HB3 H 1 1.415 0.009 . 2 . . . A 22 LYS HB3 . 17554 1 209 . 1 1 22 22 LYS HG2 H 1 1.647 0.007 . 2 . . . A 22 LYS HG2 . 17554 1 210 . 1 1 22 22 LYS HG3 H 1 1.295 0.006 . 2 . . . A 22 LYS HG3 . 17554 1 211 . 1 1 22 22 LYS HD2 H 1 1.880 0.007 . 2 . . . A 22 LYS HD2 . 17554 1 212 . 1 1 22 22 LYS HD3 H 1 1.806 0.003 . 2 . . . A 22 LYS HD3 . 17554 1 213 . 1 1 22 22 LYS HE2 H 1 3.002 0.005 . 2 . . . A 22 LYS HE2 . 17554 1 214 . 1 1 22 22 LYS HE3 H 1 2.875 0.005 . 2 . . . A 22 LYS HE3 . 17554 1 215 . 1 1 22 22 LYS CA C 13 60.181 0.083 . 1 . . . A 22 LYS CA . 17554 1 216 . 1 1 22 22 LYS CB C 13 32.085 0.046 . 1 . . . A 22 LYS CB . 17554 1 217 . 1 1 22 22 LYS CG C 13 26.834 0.063 . 1 . . . A 22 LYS CG . 17554 1 218 . 1 1 22 22 LYS CD C 13 30.176 0.000 . 1 . . . A 22 LYS CD . 17554 1 219 . 1 1 22 22 LYS CE C 13 41.986 0.085 . 1 . . . A 22 LYS CE . 17554 1 220 . 1 1 22 22 LYS N N 15 117.667 0.045 . 1 . . . A 22 LYS N . 17554 1 221 . 1 1 23 23 ALA H H 1 8.043 0.006 . 1 . . . A 23 ALA H . 17554 1 222 . 1 1 23 23 ALA HA H 1 3.015 0.012 . 1 . . . A 23 ALA HA . 17554 1 223 . 1 1 23 23 ALA HB1 H 1 1.698 0.007 . 1 . . . A 23 ALA HB1 . 17554 1 224 . 1 1 23 23 ALA HB2 H 1 1.698 0.007 . 1 . . . A 23 ALA HB1 . 17554 1 225 . 1 1 23 23 ALA HB3 H 1 1.698 0.007 . 1 . . . A 23 ALA HB1 . 17554 1 226 . 1 1 23 23 ALA CA C 13 54.845 0.054 . 1 . . . A 23 ALA CA . 17554 1 227 . 1 1 23 23 ALA CB C 13 19.900 0.034 . 1 . . . A 23 ALA CB . 17554 1 228 . 1 1 23 23 ALA N N 15 120.670 0.030 . 1 . . . A 23 ALA N . 17554 1 229 . 1 1 24 24 VAL H H 1 7.381 0.008 . 1 . . . A 24 VAL H . 17554 1 230 . 1 1 24 24 VAL HA H 1 3.510 0.007 . 1 . . . A 24 VAL HA . 17554 1 231 . 1 1 24 24 VAL HB H 1 1.868 0.008 . 1 . . . A 24 VAL HB . 17554 1 232 . 1 1 24 24 VAL HG11 H 1 1.079 0.007 . 2 . . . A 24 VAL HG11 . 17554 1 233 . 1 1 24 24 VAL HG12 H 1 1.079 0.007 . 2 . . . A 24 VAL HG11 . 17554 1 234 . 1 1 24 24 VAL HG13 H 1 1.079 0.007 . 2 . . . A 24 VAL HG11 . 17554 1 235 . 1 1 24 24 VAL HG21 H 1 0.812 0.003 . 2 . . . A 24 VAL HG21 . 17554 1 236 . 1 1 24 24 VAL HG22 H 1 0.812 0.003 . 2 . . . A 24 VAL HG21 . 17554 1 237 . 1 1 24 24 VAL HG23 H 1 0.812 0.003 . 2 . . . A 24 VAL HG21 . 17554 1 238 . 1 1 24 24 VAL CA C 13 65.665 0.061 . 1 . . . A 24 VAL CA . 17554 1 239 . 1 1 24 24 VAL CB C 13 32.009 0.087 . 1 . . . A 24 VAL CB . 17554 1 240 . 1 1 24 24 VAL CG1 C 13 23.477 0.040 . 2 . . . A 24 VAL CG1 . 17554 1 241 . 1 1 24 24 VAL CG2 C 13 23.322 0.049 . 2 . . . A 24 VAL CG2 . 17554 1 242 . 1 1 24 24 VAL N N 15 117.629 0.046 . 1 . . . A 24 VAL N . 17554 1 243 . 1 1 25 25 TYR H H 1 8.029 0.005 . 1 . . . A 25 TYR H . 17554 1 244 . 1 1 25 25 TYR HA H 1 3.860 0.005 . 1 . . . A 25 TYR HA . 17554 1 245 . 1 1 25 25 TYR HB2 H 1 2.763 0.005 . 2 . . . A 25 TYR HB2 . 17554 1 246 . 1 1 25 25 TYR HB3 H 1 2.452 0.007 . 2 . . . A 25 TYR HB3 . 17554 1 247 . 1 1 25 25 TYR CA C 13 62.098 0.066 . 1 . . . A 25 TYR CA . 17554 1 248 . 1 1 25 25 TYR CB C 13 38.735 0.075 . 1 . . . A 25 TYR CB . 17554 1 249 . 1 1 25 25 TYR N N 15 120.392 0.148 . 1 . . . A 25 TYR N . 17554 1 250 . 1 1 26 26 PHE H H 1 9.102 0.007 . 1 . . . A 26 PHE H . 17554 1 251 . 1 1 26 26 PHE HA H 1 4.181 0.008 . 1 . . . A 26 PHE HA . 17554 1 252 . 1 1 26 26 PHE HB2 H 1 3.063 0.008 . 2 . . . A 26 PHE HB2 . 17554 1 253 . 1 1 26 26 PHE HB3 H 1 2.078 0.008 . 2 . . . A 26 PHE HB3 . 17554 1 254 . 1 1 26 26 PHE CA C 13 60.345 0.036 . 1 . . . A 26 PHE CA . 17554 1 255 . 1 1 26 26 PHE CB C 13 37.917 0.039 . 1 . . . A 26 PHE CB . 17554 1 256 . 1 1 26 26 PHE N N 15 116.460 0.080 . 1 . . . A 26 PHE N . 17554 1 257 . 1 1 27 27 THR H H 1 7.050 0.011 . 1 . . . A 27 THR H . 17554 1 258 . 1 1 27 27 THR HA H 1 4.477 0.009 . 1 . . . A 27 THR HA . 17554 1 259 . 1 1 27 27 THR HB H 1 4.560 0.006 . 1 . . . A 27 THR HB . 17554 1 260 . 1 1 27 27 THR HG21 H 1 1.384 0.005 . 1 . . . A 27 THR HG21 . 17554 1 261 . 1 1 27 27 THR HG22 H 1 1.384 0.005 . 1 . . . A 27 THR HG21 . 17554 1 262 . 1 1 27 27 THR HG23 H 1 1.384 0.005 . 1 . . . A 27 THR HG21 . 17554 1 263 . 1 1 27 27 THR CA C 13 61.195 0.100 . 1 . . . A 27 THR CA . 17554 1 264 . 1 1 27 27 THR CB C 13 69.061 0.047 . 1 . . . A 27 THR CB . 17554 1 265 . 1 1 27 27 THR CG2 C 13 21.856 0.119 . 1 . . . A 27 THR CG2 . 17554 1 266 . 1 1 27 27 THR N N 15 106.212 0.058 . 1 . . . A 27 THR N . 17554 1 267 . 1 1 28 28 GLY H H 1 7.278 0.011 . 1 . . . A 28 GLY H . 17554 1 268 . 1 1 28 28 GLY HA2 H 1 3.874 0.008 . 1 . . . A 28 GLY HA2 . 17554 1 269 . 1 1 28 28 GLY HA3 H 1 3.663 0.006 . 2 . . . A 28 GLY HA3 . 17554 1 270 . 1 1 28 28 GLY CA C 13 46.575 0.083 . 1 . . . A 28 GLY CA . 17554 1 271 . 1 1 28 28 GLY N N 15 107.275 0.048 . 1 . . . A 28 GLY N . 17554 1 272 . 1 1 29 29 ASN H H 1 8.704 0.005 . 1 . . . A 29 ASN H . 17554 1 273 . 1 1 29 29 ASN HA H 1 4.342 0.006 . 1 . . . A 29 ASN HA . 17554 1 274 . 1 1 29 29 ASN HB2 H 1 3.338 0.006 . 2 . . . A 29 ASN HB2 . 17554 1 275 . 1 1 29 29 ASN HB3 H 1 2.363 0.009 . 2 . . . A 29 ASN HB3 . 17554 1 276 . 1 1 29 29 ASN CA C 13 53.614 0.099 . 1 . . . A 29 ASN CA . 17554 1 277 . 1 1 29 29 ASN CB C 13 37.302 0.042 . 1 . . . A 29 ASN CB . 17554 1 278 . 1 1 29 29 ASN N N 15 118.189 0.053 . 1 . . . A 29 ASN N . 17554 1 279 . 1 1 30 30 MET H H 1 8.921 0.007 . 1 . . . A 30 MET H . 17554 1 280 . 1 1 30 30 MET HA H 1 4.791 0.008 . 1 . . . A 30 MET HA . 17554 1 281 . 1 1 30 30 MET HB2 H 1 2.389 0.007 . 2 . . . A 30 MET HB2 . 17554 1 282 . 1 1 30 30 MET HB3 H 1 1.847 0.004 . 2 . . . A 30 MET HB3 . 17554 1 283 . 1 1 30 30 MET HG2 H 1 2.691 0.006 . 2 . . . A 30 MET HG2 . 17554 1 284 . 1 1 30 30 MET HG3 H 1 2.502 0.007 . 2 . . . A 30 MET HG3 . 17554 1 285 . 1 1 30 30 MET CA C 13 53.943 0.079 . 1 . . . A 30 MET CA . 17554 1 286 . 1 1 30 30 MET CB C 13 33.263 0.142 . 1 . . . A 30 MET CB . 17554 1 287 . 1 1 30 30 MET CG C 13 32.042 0.054 . 1 . . . A 30 MET CG . 17554 1 288 . 1 1 30 30 MET N N 15 119.241 0.051 . 1 . . . A 30 MET N . 17554 1 289 . 1 1 31 31 GLY H H 1 8.349 0.004 . 1 . . . A 31 GLY H . 17554 1 290 . 1 1 31 31 GLY HA2 H 1 4.704 0.010 . 1 . . . A 31 GLY HA2 . 17554 1 291 . 1 1 31 31 GLY HA3 H 1 3.793 0.009 . 2 . . . A 31 GLY HA3 . 17554 1 292 . 1 1 31 31 GLY CA C 13 44.151 0.073 . 1 . . . A 31 GLY CA . 17554 1 293 . 1 1 31 31 GLY N N 15 109.623 0.029 . 1 . . . A 31 GLY N . 17554 1 294 . 1 1 32 32 ALA H H 1 8.899 0.005 . 1 . . . A 32 ALA H . 17554 1 295 . 1 1 32 32 ALA HA H 1 3.980 0.015 . 1 . . . A 32 ALA HA . 17554 1 296 . 1 1 32 32 ALA HB1 H 1 1.467 0.008 . 1 . . . A 32 ALA HB1 . 17554 1 297 . 1 1 32 32 ALA HB2 H 1 1.467 0.008 . 1 . . . A 32 ALA HB1 . 17554 1 298 . 1 1 32 32 ALA HB3 H 1 1.467 0.008 . 1 . . . A 32 ALA HB1 . 17554 1 299 . 1 1 32 32 ALA CA C 13 55.192 0.080 . 1 . . . A 32 ALA CA . 17554 1 300 . 1 1 32 32 ALA CB C 13 19.058 0.056 . 1 . . . A 32 ALA CB . 17554 1 301 . 1 1 32 32 ALA N N 15 121.096 0.055 . 1 . . . A 32 ALA N . 17554 1 302 . 1 1 33 33 GLU H H 1 8.705 0.006 . 1 . . . A 33 GLU H . 17554 1 303 . 1 1 33 33 GLU HA H 1 4.095 0.006 . 1 . . . A 33 GLU HA . 17554 1 304 . 1 1 33 33 GLU HB2 H 1 2.146 0.006 . 2 . . . A 33 GLU HB2 . 17554 1 305 . 1 1 33 33 GLU HB3 H 1 2.077 0.009 . 2 . . . A 33 GLU HB3 . 17554 1 306 . 1 1 33 33 GLU HG2 H 1 2.337 0.006 . 2 . . . A 33 GLU HG2 . 17554 1 307 . 1 1 33 33 GLU CA C 13 60.864 0.075 . 1 . . . A 33 GLU CA . 17554 1 308 . 1 1 33 33 GLU CB C 13 28.661 0.053 . 1 . . . A 33 GLU CB . 17554 1 309 . 1 1 33 33 GLU CG C 13 36.860 0.040 . 1 . . . A 33 GLU CG . 17554 1 310 . 1 1 33 33 GLU N N 15 119.428 0.055 . 1 . . . A 33 GLU N . 17554 1 311 . 1 1 34 34 VAL H H 1 8.178 0.007 . 1 . . . A 34 VAL H . 17554 1 312 . 1 1 34 34 VAL HA H 1 4.062 0.010 . 1 . . . A 34 VAL HA . 17554 1 313 . 1 1 34 34 VAL HB H 1 2.038 0.009 . 1 . . . A 34 VAL HB . 17554 1 314 . 1 1 34 34 VAL HG11 H 1 1.129 0.003 . 2 . . . A 34 VAL HG11 . 17554 1 315 . 1 1 34 34 VAL HG12 H 1 1.129 0.003 . 2 . . . A 34 VAL HG11 . 17554 1 316 . 1 1 34 34 VAL HG13 H 1 1.129 0.003 . 2 . . . A 34 VAL HG11 . 17554 1 317 . 1 1 34 34 VAL CA C 13 65.178 0.052 . 1 . . . A 34 VAL CA . 17554 1 318 . 1 1 34 34 VAL CB C 13 31.684 0.117 . 1 . . . A 34 VAL CB . 17554 1 319 . 1 1 34 34 VAL CG1 C 13 21.646 0.082 . 2 . . . A 34 VAL CG1 . 17554 1 320 . 1 1 34 34 VAL N N 15 117.216 0.045 . 1 . . . A 34 VAL N . 17554 1 321 . 1 1 35 35 ALA H H 1 7.178 0.013 . 1 . . . A 35 ALA H . 17554 1 322 . 1 1 35 35 ALA HA H 1 4.289 0.008 . 1 . . . A 35 ALA HA . 17554 1 323 . 1 1 35 35 ALA HB1 H 1 1.387 0.005 . 1 . . . A 35 ALA HB1 . 17554 1 324 . 1 1 35 35 ALA HB2 H 1 1.387 0.005 . 1 . . . A 35 ALA HB1 . 17554 1 325 . 1 1 35 35 ALA HB3 H 1 1.387 0.005 . 1 . . . A 35 ALA HB1 . 17554 1 326 . 1 1 35 35 ALA CA C 13 54.787 0.057 . 1 . . . A 35 ALA CA . 17554 1 327 . 1 1 35 35 ALA CB C 13 19.794 0.063 . 1 . . . A 35 ALA CB . 17554 1 328 . 1 1 35 35 ALA N N 15 123.635 0.049 . 1 . . . A 35 ALA N . 17554 1 329 . 1 1 36 36 PHE H H 1 8.832 0.005 . 1 . . . A 36 PHE H . 17554 1 330 . 1 1 36 36 PHE HA H 1 4.079 0.008 . 1 . . . A 36 PHE HA . 17554 1 331 . 1 1 36 36 PHE HB2 H 1 3.344 0.008 . 2 . . . A 36 PHE HB2 . 17554 1 332 . 1 1 36 36 PHE HB3 H 1 3.296 0.008 . 2 . . . A 36 PHE HB3 . 17554 1 333 . 1 1 36 36 PHE CA C 13 61.339 0.082 . 1 . . . A 36 PHE CA . 17554 1 334 . 1 1 36 36 PHE CB C 13 38.952 0.050 . 1 . . . A 36 PHE CB . 17554 1 335 . 1 1 36 36 PHE N N 15 120.976 0.035 . 1 . . . A 36 PHE N . 17554 1 336 . 1 1 37 37 ASN H H 1 7.591 0.008 . 1 . . . A 37 ASN H . 17554 1 337 . 1 1 37 37 ASN HA H 1 4.318 0.007 . 1 . . . A 37 ASN HA . 17554 1 338 . 1 1 37 37 ASN HB2 H 1 3.011 0.008 . 2 . . . A 37 ASN HB2 . 17554 1 339 . 1 1 37 37 ASN HB3 H 1 2.880 0.010 . 2 . . . A 37 ASN HB3 . 17554 1 340 . 1 1 37 37 ASN CA C 13 56.379 0.089 . 1 . . . A 37 ASN CA . 17554 1 341 . 1 1 37 37 ASN CB C 13 38.288 0.046 . 1 . . . A 37 ASN CB . 17554 1 342 . 1 1 37 37 ASN N N 15 114.823 0.032 . 1 . . . A 37 ASN N . 17554 1 343 . 1 1 38 38 TRP H H 1 7.630 0.008 . 1 . . . A 38 TRP H . 17554 1 344 . 1 1 38 38 TRP HA H 1 4.191 0.009 . 1 . . . A 38 TRP HA . 17554 1 345 . 1 1 38 38 TRP HB2 H 1 3.836 0.010 . 2 . . . A 38 TRP HB2 . 17554 1 346 . 1 1 38 38 TRP HB3 H 1 3.256 0.007 . 2 . . . A 38 TRP HB3 . 17554 1 347 . 1 1 38 38 TRP CA C 13 62.279 0.096 . 1 . . . A 38 TRP CA . 17554 1 348 . 1 1 38 38 TRP CB C 13 30.545 0.065 . 1 . . . A 38 TRP CB . 17554 1 349 . 1 1 38 38 TRP N N 15 119.984 0.042 . 1 . . . A 38 TRP N . 17554 1 350 . 1 1 39 39 ILE H H 1 8.017 0.008 . 1 . . . A 39 ILE H . 17554 1 351 . 1 1 39 39 ILE HA H 1 3.647 0.007 . 1 . . . A 39 ILE HA . 17554 1 352 . 1 1 39 39 ILE HB H 1 2.070 0.010 . 1 . . . A 39 ILE HB . 17554 1 353 . 1 1 39 39 ILE HG12 H 1 1.828 0.012 . 2 . . . A 39 ILE HG12 . 17554 1 354 . 1 1 39 39 ILE HG13 H 1 1.344 0.006 . 2 . . . A 39 ILE HG13 . 17554 1 355 . 1 1 39 39 ILE HG21 H 1 0.049 0.003 . 1 . . . A 39 ILE HG21 . 17554 1 356 . 1 1 39 39 ILE HG22 H 1 0.049 0.003 . 1 . . . A 39 ILE HG21 . 17554 1 357 . 1 1 39 39 ILE HG23 H 1 0.049 0.003 . 1 . . . A 39 ILE HG21 . 17554 1 358 . 1 1 39 39 ILE HD11 H 1 0.716 0.008 . 1 . . . A 39 ILE HD11 . 17554 1 359 . 1 1 39 39 ILE HD12 H 1 0.716 0.008 . 1 . . . A 39 ILE HD11 . 17554 1 360 . 1 1 39 39 ILE HD13 H 1 0.716 0.008 . 1 . . . A 39 ILE HD11 . 17554 1 361 . 1 1 39 39 ILE CA C 13 65.651 0.063 . 1 . . . A 39 ILE CA . 17554 1 362 . 1 1 39 39 ILE CB C 13 36.375 0.087 . 1 . . . A 39 ILE CB . 17554 1 363 . 1 1 39 39 ILE CG1 C 13 29.856 0.081 . 1 . . . A 39 ILE CG1 . 17554 1 364 . 1 1 39 39 ILE CG2 C 13 16.187 0.049 . 1 . . . A 39 ILE CG2 . 17554 1 365 . 1 1 39 39 ILE CD1 C 13 13.379 0.056 . 1 . . . A 39 ILE CD1 . 17554 1 366 . 1 1 39 39 ILE N N 15 121.183 0.035 . 1 . . . A 39 ILE N . 17554 1 367 . 1 1 40 40 ILE H H 1 7.474 0.012 . 1 . . . A 40 ILE H . 17554 1 368 . 1 1 40 40 ILE HA H 1 3.665 0.006 . 1 . . . A 40 ILE HA . 17554 1 369 . 1 1 40 40 ILE HB H 1 1.797 0.009 . 1 . . . A 40 ILE HB . 17554 1 370 . 1 1 40 40 ILE HG12 H 1 1.098 0.005 . 2 . . . A 40 ILE HG12 . 17554 1 371 . 1 1 40 40 ILE HG13 H 1 1.007 0.016 . 2 . . . A 40 ILE HG13 . 17554 1 372 . 1 1 40 40 ILE HG21 H 1 0.688 0.008 . 1 . . . A 40 ILE HG21 . 17554 1 373 . 1 1 40 40 ILE HG22 H 1 0.688 0.008 . 1 . . . A 40 ILE HG21 . 17554 1 374 . 1 1 40 40 ILE HG23 H 1 0.688 0.008 . 1 . . . A 40 ILE HG21 . 17554 1 375 . 1 1 40 40 ILE HD11 H 1 0.672 0.006 . 1 . . . A 40 ILE HD11 . 17554 1 376 . 1 1 40 40 ILE HD12 H 1 0.672 0.006 . 1 . . . A 40 ILE HD11 . 17554 1 377 . 1 1 40 40 ILE HD13 H 1 0.672 0.006 . 1 . . . A 40 ILE HD11 . 17554 1 378 . 1 1 40 40 ILE CA C 13 63.224 0.058 . 1 . . . A 40 ILE CA . 17554 1 379 . 1 1 40 40 ILE CB C 13 36.681 0.127 . 1 . . . A 40 ILE CB . 17554 1 380 . 1 1 40 40 ILE CG1 C 13 26.999 0.043 . 1 . . . A 40 ILE CG1 . 17554 1 381 . 1 1 40 40 ILE CG2 C 13 17.810 0.099 . 1 . . . A 40 ILE CG2 . 17554 1 382 . 1 1 40 40 ILE CD1 C 13 11.158 0.030 . 1 . . . A 40 ILE CD1 . 17554 1 383 . 1 1 40 40 ILE N N 15 115.084 0.055 . 1 . . . A 40 ILE N . 17554 1 384 . 1 1 41 41 VAL H H 1 7.054 0.004 . 1 . . . A 41 VAL H . 17554 1 385 . 1 1 41 41 VAL HA H 1 3.661 0.005 . 1 . . . A 41 VAL HA . 17554 1 386 . 1 1 41 41 VAL HB H 1 1.677 0.009 . 1 . . . A 41 VAL HB . 17554 1 387 . 1 1 41 41 VAL HG11 H 1 0.827 0.009 . 2 . . . A 41 VAL HG11 . 17554 1 388 . 1 1 41 41 VAL HG12 H 1 0.827 0.009 . 2 . . . A 41 VAL HG11 . 17554 1 389 . 1 1 41 41 VAL HG13 H 1 0.827 0.009 . 2 . . . A 41 VAL HG11 . 17554 1 390 . 1 1 41 41 VAL HG21 H 1 0.262 0.006 . 2 . . . A 41 VAL HG21 . 17554 1 391 . 1 1 41 41 VAL HG22 H 1 0.262 0.006 . 2 . . . A 41 VAL HG21 . 17554 1 392 . 1 1 41 41 VAL HG23 H 1 0.262 0.006 . 2 . . . A 41 VAL HG21 . 17554 1 393 . 1 1 41 41 VAL CA C 13 64.452 0.062 . 1 . . . A 41 VAL CA . 17554 1 394 . 1 1 41 41 VAL CB C 13 32.156 0.128 . 1 . . . A 41 VAL CB . 17554 1 395 . 1 1 41 41 VAL CG1 C 13 22.098 0.112 . 2 . . . A 41 VAL CG1 . 17554 1 396 . 1 1 41 41 VAL CG2 C 13 20.834 0.290 . 2 . . . A 41 VAL CG2 . 17554 1 397 . 1 1 41 41 VAL N N 15 116.045 0.042 . 1 . . . A 41 VAL N . 17554 1 398 . 1 1 42 42 HIS H H 1 7.353 0.013 . 1 . . . A 42 HIS H . 17554 1 399 . 1 1 42 42 HIS HA H 1 4.098 0.004 . 1 . . . A 42 HIS HA . 17554 1 400 . 1 1 42 42 HIS HB2 H 1 2.923 0.008 . 2 . . . A 42 HIS HB2 . 17554 1 401 . 1 1 42 42 HIS HB3 H 1 1.631 0.008 . 2 . . . A 42 HIS HB3 . 17554 1 402 . 1 1 42 42 HIS CA C 13 57.365 0.078 . 1 . . . A 42 HIS CA . 17554 1 403 . 1 1 42 42 HIS CB C 13 28.251 0.044 . 1 . . . A 42 HIS CB . 17554 1 404 . 1 1 42 42 HIS N N 15 115.595 0.068 . 1 . . . A 42 HIS N . 17554 1 405 . 1 1 43 43 MET H H 1 7.373 0.006 . 1 . . . A 43 MET H . 17554 1 406 . 1 1 43 43 MET HA H 1 2.064 0.009 . 1 . . . A 43 MET HA . 17554 1 407 . 1 1 43 43 MET HB2 H 1 1.695 0.008 . 2 . . . A 43 MET HB2 . 17554 1 408 . 1 1 43 43 MET HG2 H 1 2.416 0.014 . 2 . . . A 43 MET HG2 . 17554 1 409 . 1 1 43 43 MET HG3 H 1 2.106 0.009 . 2 . . . A 43 MET HG3 . 17554 1 410 . 1 1 43 43 MET CA C 13 57.980 0.050 . 1 . . . A 43 MET CA . 17554 1 411 . 1 1 43 43 MET CB C 13 32.258 0.072 . 1 . . . A 43 MET CB . 17554 1 412 . 1 1 43 43 MET CG C 13 30.814 0.037 . 1 . . . A 43 MET CG . 17554 1 413 . 1 1 43 43 MET N N 15 117.495 0.058 . 1 . . . A 43 MET N . 17554 1 414 . 1 1 44 44 GLU H H 1 8.102 0.004 . 1 . . . A 44 GLU H . 17554 1 415 . 1 1 44 44 GLU HA H 1 4.346 0.007 . 1 . . . A 44 GLU HA . 17554 1 416 . 1 1 44 44 GLU HB2 H 1 2.182 0.007 . 2 . . . A 44 GLU HB2 . 17554 1 417 . 1 1 44 44 GLU HB3 H 1 1.697 0.007 . 2 . . . A 44 GLU HB3 . 17554 1 418 . 1 1 44 44 GLU HG2 H 1 2.148 0.007 . 2 . . . A 44 GLU HG2 . 17554 1 419 . 1 1 44 44 GLU HG3 H 1 2.074 0.003 . 2 . . . A 44 GLU HG3 . 17554 1 420 . 1 1 44 44 GLU CA C 13 55.838 0.053 . 1 . . . A 44 GLU CA . 17554 1 421 . 1 1 44 44 GLU CB C 13 29.351 0.158 . 1 . . . A 44 GLU CB . 17554 1 422 . 1 1 44 44 GLU CG C 13 36.671 0.055 . 1 . . . A 44 GLU CG . 17554 1 423 . 1 1 44 44 GLU N N 15 116.844 0.035 . 1 . . . A 44 GLU N . 17554 1 424 . 1 1 45 45 GLU H H 1 7.853 0.005 . 1 . . . A 45 GLU H . 17554 1 425 . 1 1 45 45 GLU HA H 1 4.426 0.006 . 1 . . . A 45 GLU HA . 17554 1 426 . 1 1 45 45 GLU HG2 H 1 2.367 0.009 . 2 . . . A 45 GLU HG2 . 17554 1 427 . 1 1 45 45 GLU CA C 13 55.141 0.061 . 1 . . . A 45 GLU CA . 17554 1 428 . 1 1 45 45 GLU CB C 13 28.513 0.000 . 1 . . . A 45 GLU CB . 17554 1 429 . 1 1 45 45 GLU N N 15 121.925 0.029 . 1 . . . A 45 GLU N . 17554 1 430 . 1 1 46 46 PRO HA H 1 4.440 0.006 . 1 . . . A 46 PRO HA . 17554 1 431 . 1 1 46 46 PRO HB2 H 1 2.417 0.010 . 2 . . . A 46 PRO HB2 . 17554 1 432 . 1 1 46 46 PRO HB3 H 1 2.055 0.015 . 2 . . . A 46 PRO HB3 . 17554 1 433 . 1 1 46 46 PRO HG2 H 1 2.127 0.008 . 2 . . . A 46 PRO HG2 . 17554 1 434 . 1 1 46 46 PRO HD2 H 1 3.884 0.005 . 2 . . . A 46 PRO HD2 . 17554 1 435 . 1 1 46 46 PRO CA C 13 65.070 0.085 . 1 . . . A 46 PRO CA . 17554 1 436 . 1 1 46 46 PRO CB C 13 31.850 0.066 . 1 . . . A 46 PRO CB . 17554 1 437 . 1 1 46 46 PRO CG C 13 27.882 0.070 . 1 . . . A 46 PRO CG . 17554 1 438 . 1 1 46 46 PRO CD C 13 50.618 0.115 . 1 . . . A 46 PRO CD . 17554 1 439 . 1 1 47 47 ASP H H 1 8.437 0.005 . 1 . . . A 47 ASP H . 17554 1 440 . 1 1 47 47 ASP HA H 1 4.686 0.006 . 1 . . . A 47 ASP HA . 17554 1 441 . 1 1 47 47 ASP HB2 H 1 2.984 0.010 . 2 . . . A 47 ASP HB2 . 17554 1 442 . 1 1 47 47 ASP HB3 H 1 2.617 0.007 . 2 . . . A 47 ASP HB3 . 17554 1 443 . 1 1 47 47 ASP CA C 13 52.841 0.049 . 1 . . . A 47 ASP CA . 17554 1 444 . 1 1 47 47 ASP CB C 13 39.711 0.080 . 1 . . . A 47 ASP CB . 17554 1 445 . 1 1 47 47 ASP N N 15 115.051 0.025 . 1 . . . A 47 ASP N . 17554 1 446 . 1 1 48 48 PHE H H 1 7.695 0.005 . 1 . . . A 48 PHE H . 17554 1 447 . 1 1 48 48 PHE HA H 1 4.522 0.014 . 1 . . . A 48 PHE HA . 17554 1 448 . 1 1 48 48 PHE HB2 H 1 3.722 0.008 . 2 . . . A 48 PHE HB2 . 17554 1 449 . 1 1 48 48 PHE HB3 H 1 2.938 0.005 . 2 . . . A 48 PHE HB3 . 17554 1 450 . 1 1 48 48 PHE CA C 13 60.887 0.076 . 1 . . . A 48 PHE CA . 17554 1 451 . 1 1 48 48 PHE CB C 13 40.495 0.116 . 1 . . . A 48 PHE CB . 17554 1 452 . 1 1 48 48 PHE N N 15 122.693 0.053 . 1 . . . A 48 PHE N . 17554 1 453 . 1 1 49 49 ALA H H 1 8.643 0.007 . 1 . . . A 49 ALA H . 17554 1 454 . 1 1 49 49 ALA HA H 1 4.099 0.008 . 1 . . . A 49 ALA HA . 17554 1 455 . 1 1 49 49 ALA HB1 H 1 1.438 0.007 . 1 . . . A 49 ALA HB1 . 17554 1 456 . 1 1 49 49 ALA HB2 H 1 1.438 0.007 . 1 . . . A 49 ALA HB1 . 17554 1 457 . 1 1 49 49 ALA HB3 H 1 1.438 0.007 . 1 . . . A 49 ALA HB1 . 17554 1 458 . 1 1 49 49 ALA CA C 13 51.211 0.026 . 1 . . . A 49 ALA CA . 17554 1 459 . 1 1 49 49 ALA CB C 13 19.067 0.068 . 1 . . . A 49 ALA CB . 17554 1 460 . 1 1 49 49 ALA N N 15 117.185 0.040 . 1 . . . A 49 ALA N . 17554 1 461 . 1 1 50 50 GLU H H 1 7.412 0.010 . 1 . . . A 50 GLU H . 17554 1 462 . 1 1 50 50 GLU HA H 1 4.412 0.006 . 1 . . . A 50 GLU HA . 17554 1 463 . 1 1 50 50 GLU HB2 H 1 2.099 0.013 . 2 . . . A 50 GLU HB2 . 17554 1 464 . 1 1 50 50 GLU HB3 H 1 1.998 0.003 . 2 . . . A 50 GLU HB3 . 17554 1 465 . 1 1 50 50 GLU HG2 H 1 2.378 0.006 . 2 . . . A 50 GLU HG2 . 17554 1 466 . 1 1 50 50 GLU HG3 H 1 2.287 0.008 . 2 . . . A 50 GLU HG3 . 17554 1 467 . 1 1 50 50 GLU CA C 13 54.755 0.171 . 1 . . . A 50 GLU CA . 17554 1 468 . 1 1 50 50 GLU CB C 13 29.274 0.046 . 1 . . . A 50 GLU CB . 17554 1 469 . 1 1 50 50 GLU CG C 13 36.419 0.074 . 1 . . . A 50 GLU CG . 17554 1 470 . 1 1 50 50 GLU N N 15 119.707 0.074 . 1 . . . A 50 GLU N . 17554 1 471 . 1 1 51 51 PRO HA H 1 4.315 0.010 . 1 . . . A 51 PRO HA . 17554 1 472 . 1 1 51 51 PRO HB2 H 1 2.167 0.006 . 2 . . . A 51 PRO HB2 . 17554 1 473 . 1 1 51 51 PRO HB3 H 1 1.788 0.007 . 2 . . . A 51 PRO HB3 . 17554 1 474 . 1 1 51 51 PRO HG2 H 1 2.027 0.005 . 2 . . . A 51 PRO HG2 . 17554 1 475 . 1 1 51 51 PRO HG3 H 1 1.931 0.003 . 2 . . . A 51 PRO HG3 . 17554 1 476 . 1 1 51 51 PRO HD2 H 1 3.807 0.011 . 2 . . . A 51 PRO HD2 . 17554 1 477 . 1 1 51 51 PRO HD3 H 1 3.672 0.014 . 2 . . . A 51 PRO HD3 . 17554 1 478 . 1 1 51 51 PRO CA C 13 62.863 0.094 . 1 . . . A 51 PRO CA . 17554 1 479 . 1 1 51 51 PRO CB C 13 32.408 0.061 . 1 . . . A 51 PRO CB . 17554 1 480 . 1 1 51 51 PRO CG C 13 27.755 0.072 . 1 . . . A 51 PRO CG . 17554 1 481 . 1 1 51 51 PRO CD C 13 50.574 0.018 . 1 . . . A 51 PRO CD . 17554 1 482 . 1 1 52 52 LEU H H 1 8.475 0.007 . 1 . . . A 52 LEU H . 17554 1 483 . 1 1 52 52 LEU HA H 1 4.210 0.011 . 1 . . . A 52 LEU HA . 17554 1 484 . 1 1 52 52 LEU HB2 H 1 1.484 0.007 . 2 . . . A 52 LEU HB2 . 17554 1 485 . 1 1 52 52 LEU HB3 H 1 1.242 0.010 . 2 . . . A 52 LEU HB3 . 17554 1 486 . 1 1 52 52 LEU HG H 1 1.211 0.014 . 1 . . . A 52 LEU HG . 17554 1 487 . 1 1 52 52 LEU HD11 H 1 0.582 0.005 . 2 . . . A 52 LEU HD11 . 17554 1 488 . 1 1 52 52 LEU HD12 H 1 0.582 0.005 . 2 . . . A 52 LEU HD11 . 17554 1 489 . 1 1 52 52 LEU HD13 H 1 0.582 0.005 . 2 . . . A 52 LEU HD11 . 17554 1 490 . 1 1 52 52 LEU HD21 H 1 0.366 0.004 . 2 . . . A 52 LEU HD21 . 17554 1 491 . 1 1 52 52 LEU HD22 H 1 0.366 0.004 . 2 . . . A 52 LEU HD21 . 17554 1 492 . 1 1 52 52 LEU HD23 H 1 0.366 0.004 . 2 . . . A 52 LEU HD21 . 17554 1 493 . 1 1 52 52 LEU CA C 13 55.217 0.047 . 1 . . . A 52 LEU CA . 17554 1 494 . 1 1 52 52 LEU CB C 13 42.918 0.038 . 1 . . . A 52 LEU CB . 17554 1 495 . 1 1 52 52 LEU CG C 13 26.946 0.058 . 1 . . . A 52 LEU CG . 17554 1 496 . 1 1 52 52 LEU CD1 C 13 24.259 0.039 . 2 . . . A 52 LEU CD1 . 17554 1 497 . 1 1 52 52 LEU CD2 C 13 25.119 0.051 . 2 . . . A 52 LEU CD2 . 17554 1 498 . 1 1 52 52 LEU N N 15 123.507 0.037 . 1 . . . A 52 LEU N . 17554 1 499 . 1 1 53 53 THR H H 1 8.371 0.006 . 1 . . . A 53 THR H . 17554 1 500 . 1 1 53 53 THR HA H 1 4.292 0.006 . 1 . . . A 53 THR HA . 17554 1 501 . 1 1 53 53 THR HB H 1 4.089 0.004 . 1 . . . A 53 THR HB . 17554 1 502 . 1 1 53 53 THR HG21 H 1 1.131 0.012 . 1 . . . A 53 THR HG21 . 17554 1 503 . 1 1 53 53 THR HG22 H 1 1.131 0.012 . 1 . . . A 53 THR HG21 . 17554 1 504 . 1 1 53 53 THR HG23 H 1 1.131 0.012 . 1 . . . A 53 THR HG21 . 17554 1 505 . 1 1 53 53 THR CA C 13 61.478 0.055 . 1 . . . A 53 THR CA . 17554 1 506 . 1 1 53 53 THR CB C 13 69.752 0.085 . 1 . . . A 53 THR CB . 17554 1 507 . 1 1 53 53 THR CG2 C 13 21.037 0.067 . 1 . . . A 53 THR CG2 . 17554 1 508 . 1 1 53 53 THR N N 15 119.005 0.051 . 1 . . . A 53 THR N . 17554 1 509 . 1 1 54 54 MET H H 1 8.264 0.008 . 1 . . . A 54 MET H . 17554 1 510 . 1 1 54 54 MET HA H 1 4.651 0.006 . 1 . . . A 54 MET HA . 17554 1 511 . 1 1 54 54 MET HB2 H 1 1.899 0.005 . 2 . . . A 54 MET HB2 . 17554 1 512 . 1 1 54 54 MET HB3 H 1 1.775 0.011 . 2 . . . A 54 MET HB3 . 17554 1 513 . 1 1 54 54 MET HG2 H 1 2.399 0.004 . 2 . . . A 54 MET HG2 . 17554 1 514 . 1 1 54 54 MET HG3 H 1 2.235 0.004 . 2 . . . A 54 MET HG3 . 17554 1 515 . 1 1 54 54 MET CA C 13 53.235 0.060 . 1 . . . A 54 MET CA . 17554 1 516 . 1 1 54 54 MET CB C 13 32.605 0.030 . 1 . . . A 54 MET CB . 17554 1 517 . 1 1 54 54 MET CG C 13 32.139 0.067 . 1 . . . A 54 MET CG . 17554 1 518 . 1 1 54 54 MET N N 15 124.439 0.061 . 1 . . . A 54 MET N . 17554 1 519 . 1 1 55 55 PRO HA H 1 4.368 0.013 . 1 . . . A 55 PRO HA . 17554 1 520 . 1 1 55 55 PRO HB2 H 1 2.254 0.004 . 2 . . . A 55 PRO HB2 . 17554 1 521 . 1 1 55 55 PRO HB3 H 1 1.867 0.006 . 2 . . . A 55 PRO HB3 . 17554 1 522 . 1 1 55 55 PRO HG2 H 1 2.058 0.009 . 2 . . . A 55 PRO HG2 . 17554 1 523 . 1 1 55 55 PRO HG3 H 1 1.990 0.009 . 2 . . . A 55 PRO HG3 . 17554 1 524 . 1 1 55 55 PRO HD2 H 1 3.799 0.007 . 2 . . . A 55 PRO HD2 . 17554 1 525 . 1 1 55 55 PRO HD3 H 1 3.660 0.007 . 2 . . . A 55 PRO HD3 . 17554 1 526 . 1 1 55 55 PRO CA C 13 63.668 0.058 . 1 . . . A 55 PRO CA . 17554 1 527 . 1 1 55 55 PRO CB C 13 32.038 0.058 . 1 . . . A 55 PRO CB . 17554 1 528 . 1 1 55 55 PRO CG C 13 27.624 0.023 . 1 . . . A 55 PRO CG . 17554 1 529 . 1 1 55 55 PRO CD C 13 50.621 0.071 . 1 . . . A 55 PRO CD . 17554 1 530 . 1 1 56 56 GLY H H 1 8.461 0.004 . 1 . . . A 56 GLY H . 17554 1 531 . 1 1 56 56 GLY HA2 H 1 3.927 0.001 . 1 . . . A 56 GLY HA2 . 17554 1 532 . 1 1 56 56 GLY HA3 H 1 3.823 0.002 . 2 . . . A 56 GLY HA3 . 17554 1 533 . 1 1 56 56 GLY CA C 13 45.314 0.051 . 1 . . . A 56 GLY CA . 17554 1 534 . 1 1 56 56 GLY N N 15 109.663 0.052 . 1 . . . A 56 GLY N . 17554 1 535 . 1 1 57 57 TYR H H 1 8.033 0.007 . 1 . . . A 57 TYR H . 17554 1 536 . 1 1 57 57 TYR HA H 1 4.528 0.005 . 1 . . . A 57 TYR HA . 17554 1 537 . 1 1 57 57 TYR HB2 H 1 3.008 0.003 . 2 . . . A 57 TYR HB2 . 17554 1 538 . 1 1 57 57 TYR HB3 H 1 2.901 0.003 . 2 . . . A 57 TYR HB3 . 17554 1 539 . 1 1 57 57 TYR CA C 13 58.132 0.067 . 1 . . . A 57 TYR CA . 17554 1 540 . 1 1 57 57 TYR CB C 13 38.958 0.073 . 1 . . . A 57 TYR CB . 17554 1 541 . 1 1 57 57 TYR N N 15 120.317 0.016 . 1 . . . A 57 TYR N . 17554 1 542 . 1 1 58 58 GLY H H 1 8.423 0.006 . 1 . . . A 58 GLY H . 17554 1 543 . 1 1 58 58 GLY HA2 H 1 3.866 0.002 . 1 . . . A 58 GLY HA2 . 17554 1 544 . 1 1 58 58 GLY CA C 13 45.489 0.043 . 1 . . . A 58 GLY CA . 17554 1 545 . 1 1 58 58 GLY N N 15 111.694 0.023 . 1 . . . A 58 GLY N . 17554 1 546 . 1 1 59 59 GLY H H 1 7.871 0.007 . 1 . . . A 59 GLY H . 17554 1 547 . 1 1 59 59 GLY HA2 H 1 3.904 0.003 . 1 . . . A 59 GLY HA2 . 17554 1 548 . 1 1 59 59 GLY CA C 13 45.210 0.067 . 1 . . . A 59 GLY CA . 17554 1 549 . 1 1 59 59 GLY N N 15 108.403 0.035 . 1 . . . A 59 GLY N . 17554 1 550 . 1 1 60 60 ALA H H 1 8.207 0.005 . 1 . . . A 60 ALA H . 17554 1 551 . 1 1 60 60 ALA HA H 1 4.294 0.003 . 1 . . . A 60 ALA HA . 17554 1 552 . 1 1 60 60 ALA HB1 H 1 1.379 0.007 . 1 . . . A 60 ALA HB1 . 17554 1 553 . 1 1 60 60 ALA HB2 H 1 1.379 0.007 . 1 . . . A 60 ALA HB1 . 17554 1 554 . 1 1 60 60 ALA HB3 H 1 1.379 0.007 . 1 . . . A 60 ALA HB1 . 17554 1 555 . 1 1 60 60 ALA CA C 13 52.710 0.066 . 1 . . . A 60 ALA CA . 17554 1 556 . 1 1 60 60 ALA CB C 13 19.353 0.079 . 1 . . . A 60 ALA CB . 17554 1 557 . 1 1 60 60 ALA N N 15 123.835 0.023 . 1 . . . A 60 ALA N . 17554 1 558 . 1 1 61 61 ALA H H 1 8.331 0.006 . 1 . . . A 61 ALA H . 17554 1 559 . 1 1 61 61 ALA HA H 1 4.316 0.007 . 1 . . . A 61 ALA HA . 17554 1 560 . 1 1 61 61 ALA HB1 H 1 1.379 0.002 . 1 . . . A 61 ALA HB1 . 17554 1 561 . 1 1 61 61 ALA HB2 H 1 1.379 0.002 . 1 . . . A 61 ALA HB1 . 17554 1 562 . 1 1 61 61 ALA HB3 H 1 1.379 0.002 . 1 . . . A 61 ALA HB1 . 17554 1 563 . 1 1 61 61 ALA CA C 13 52.751 0.068 . 1 . . . A 61 ALA CA . 17554 1 564 . 1 1 61 61 ALA CB C 13 19.096 0.093 . 1 . . . A 61 ALA CB . 17554 1 565 . 1 1 61 61 ALA N N 15 123.032 0.077 . 1 . . . A 61 ALA N . 17554 1 566 . 1 1 62 62 SER H H 1 8.158 0.008 . 1 . . . A 62 SER H . 17554 1 567 . 1 1 62 62 SER HA H 1 4.406 0.003 . 1 . . . A 62 SER HA . 17554 1 568 . 1 1 62 62 SER HB2 H 1 3.853 0.003 . 2 . . . A 62 SER HB2 . 17554 1 569 . 1 1 62 62 SER CA C 13 58.283 0.100 . 1 . . . A 62 SER CA . 17554 1 570 . 1 1 62 62 SER CB C 13 63.858 0.068 . 1 . . . A 62 SER CB . 17554 1 571 . 1 1 62 62 SER N N 15 114.625 0.023 . 1 . . . A 62 SER N . 17554 1 572 . 1 1 63 63 ALA H H 1 8.294 0.007 . 1 . . . A 63 ALA H . 17554 1 573 . 1 1 63 63 ALA HA H 1 4.314 0.002 . 1 . . . A 63 ALA HA . 17554 1 574 . 1 1 63 63 ALA HB1 H 1 1.392 0.001 . 1 . . . A 63 ALA HB1 . 17554 1 575 . 1 1 63 63 ALA HB2 H 1 1.392 0.001 . 1 . . . A 63 ALA HB1 . 17554 1 576 . 1 1 63 63 ALA HB3 H 1 1.392 0.001 . 1 . . . A 63 ALA HB1 . 17554 1 577 . 1 1 63 63 ALA CA C 13 52.926 0.050 . 1 . . . A 63 ALA CA . 17554 1 578 . 1 1 63 63 ALA CB C 13 19.216 0.089 . 1 . . . A 63 ALA CB . 17554 1 579 . 1 1 63 63 ALA N N 15 125.890 0.015 . 1 . . . A 63 ALA N . 17554 1 580 . 1 1 64 64 GLY H H 1 8.321 0.007 . 1 . . . A 64 GLY H . 17554 1 581 . 1 1 64 64 GLY HA2 H 1 3.921 0.002 . 1 . . . A 64 GLY HA2 . 17554 1 582 . 1 1 64 64 GLY CA C 13 45.324 0.059 . 1 . . . A 64 GLY CA . 17554 1 583 . 1 1 64 64 GLY N N 15 107.980 0.029 . 1 . . . A 64 GLY N . 17554 1 584 . 1 1 65 65 ALA H H 1 8.088 0.005 . 1 . . . A 65 ALA H . 17554 1 585 . 1 1 65 65 ALA HA H 1 4.330 0.005 . 1 . . . A 65 ALA HA . 17554 1 586 . 1 1 65 65 ALA HB1 H 1 1.383 0.005 . 1 . . . A 65 ALA HB1 . 17554 1 587 . 1 1 65 65 ALA HB2 H 1 1.383 0.005 . 1 . . . A 65 ALA HB1 . 17554 1 588 . 1 1 65 65 ALA HB3 H 1 1.383 0.005 . 1 . . . A 65 ALA HB1 . 17554 1 589 . 1 1 65 65 ALA CA C 13 52.589 0.069 . 1 . . . A 65 ALA CA . 17554 1 590 . 1 1 65 65 ALA CB C 13 19.438 0.081 . 1 . . . A 65 ALA CB . 17554 1 591 . 1 1 65 65 ALA N N 15 123.524 0.028 . 1 . . . A 65 ALA N . 17554 1 592 . 1 1 66 66 SER H H 1 8.297 0.005 . 1 . . . A 66 SER H . 17554 1 593 . 1 1 66 66 SER HA H 1 4.442 0.003 . 1 . . . A 66 SER HA . 17554 1 594 . 1 1 66 66 SER HB2 H 1 3.816 0.000 . 2 . . . A 66 SER HB2 . 17554 1 595 . 1 1 66 66 SER CA C 13 58.334 0.083 . 1 . . . A 66 SER CA . 17554 1 596 . 1 1 66 66 SER CB C 13 63.804 0.069 . 1 . . . A 66 SER CB . 17554 1 597 . 1 1 66 66 SER N N 15 115.072 0.024 . 1 . . . A 66 SER N . 17554 1 598 . 1 1 67 67 VAL H H 1 8.007 0.008 . 1 . . . A 67 VAL H . 17554 1 599 . 1 1 67 67 VAL HA H 1 4.075 0.012 . 1 . . . A 67 VAL HA . 17554 1 600 . 1 1 67 67 VAL HB H 1 1.978 0.012 . 1 . . . A 67 VAL HB . 17554 1 601 . 1 1 67 67 VAL HG11 H 1 0.779 0.018 . 2 . . . A 67 VAL HG11 . 17554 1 602 . 1 1 67 67 VAL HG12 H 1 0.779 0.018 . 2 . . . A 67 VAL HG11 . 17554 1 603 . 1 1 67 67 VAL HG13 H 1 0.779 0.018 . 2 . . . A 67 VAL HG11 . 17554 1 604 . 1 1 67 67 VAL CA C 13 62.417 0.042 . 1 . . . A 67 VAL CA . 17554 1 605 . 1 1 67 67 VAL CB C 13 32.611 0.110 . 1 . . . A 67 VAL CB . 17554 1 606 . 1 1 67 67 VAL CG1 C 13 20.734 0.094 . 2 . . . A 67 VAL CG1 . 17554 1 607 . 1 1 67 67 VAL N N 15 121.228 0.027 . 1 . . . A 67 VAL N . 17554 1 608 . 1 1 68 68 PHE H H 1 8.255 0.007 . 1 . . . A 68 PHE H . 17554 1 609 . 1 1 68 68 PHE HA H 1 4.618 0.017 . 1 . . . A 68 PHE HA . 17554 1 610 . 1 1 68 68 PHE HB2 H 1 3.139 0.011 . 2 . . . A 68 PHE HB2 . 17554 1 611 . 1 1 68 68 PHE HB3 H 1 2.967 0.002 . 2 . . . A 68 PHE HB3 . 17554 1 612 . 1 1 68 68 PHE CA C 13 57.981 0.050 . 1 . . . A 68 PHE CA . 17554 1 613 . 1 1 68 68 PHE CB C 13 39.618 0.080 . 1 . . . A 68 PHE CB . 17554 1 614 . 1 1 68 68 PHE N N 15 123.068 0.020 . 1 . . . A 68 PHE N . 17554 1 615 . 1 1 69 69 GLY H H 1 8.234 0.007 . 1 . . . A 69 GLY H . 17554 1 616 . 1 1 69 69 GLY HA2 H 1 3.882 0.007 . 1 . . . A 69 GLY HA2 . 17554 1 617 . 1 1 69 69 GLY CA C 13 45.339 0.021 . 1 . . . A 69 GLY CA . 17554 1 618 . 1 1 69 69 GLY N N 15 110.709 0.080 . 1 . . . A 69 GLY N . 17554 1 619 . 1 1 70 70 ALA H H 1 8.140 0.005 . 1 . . . A 70 ALA H . 17554 1 620 . 1 1 70 70 ALA HA H 1 4.348 0.001 . 1 . . . A 70 ALA HA . 17554 1 621 . 1 1 70 70 ALA HB1 H 1 1.389 0.004 . 1 . . . A 70 ALA HB1 . 17554 1 622 . 1 1 70 70 ALA HB2 H 1 1.389 0.004 . 1 . . . A 70 ALA HB1 . 17554 1 623 . 1 1 70 70 ALA HB3 H 1 1.389 0.004 . 1 . . . A 70 ALA HB1 . 17554 1 624 . 1 1 70 70 ALA CA C 13 52.626 0.072 . 1 . . . A 70 ALA CA . 17554 1 625 . 1 1 70 70 ALA CB C 13 19.386 0.077 . 1 . . . A 70 ALA CB . 17554 1 626 . 1 1 70 70 ALA N N 15 123.857 0.050 . 1 . . . A 70 ALA N . 17554 1 627 . 1 1 71 71 SER H H 1 8.379 0.006 . 1 . . . A 71 SER H . 17554 1 628 . 1 1 71 71 SER HA H 1 4.441 0.005 . 1 . . . A 71 SER HA . 17554 1 629 . 1 1 71 71 SER HB2 H 1 3.878 0.005 . 2 . . . A 71 SER HB2 . 17554 1 630 . 1 1 71 71 SER CA C 13 58.592 0.078 . 1 . . . A 71 SER CA . 17554 1 631 . 1 1 71 71 SER CB C 13 63.975 0.061 . 1 . . . A 71 SER CB . 17554 1 632 . 1 1 71 71 SER N N 15 115.019 0.012 . 1 . . . A 71 SER N . 17554 1 633 . 1 1 72 72 GLY H H 1 8.395 0.007 . 1 . . . A 72 GLY H . 17554 1 634 . 1 1 72 72 GLY HA2 H 1 3.959 0.006 . 1 . . . A 72 GLY HA2 . 17554 1 635 . 1 1 72 72 GLY CA C 13 45.546 0.054 . 1 . . . A 72 GLY CA . 17554 1 636 . 1 1 72 72 GLY N N 15 110.640 0.042 . 1 . . . A 72 GLY N . 17554 1 637 . 1 1 73 73 LEU H H 1 8.088 0.003 . 1 . . . A 73 LEU H . 17554 1 638 . 1 1 73 73 LEU HA H 1 4.319 0.009 . 1 . . . A 73 LEU HA . 17554 1 639 . 1 1 73 73 LEU HB2 H 1 1.582 0.006 . 2 . . . A 73 LEU HB2 . 17554 1 640 . 1 1 73 73 LEU HG H 1 1.575 0.004 . 1 . . . A 73 LEU HG . 17554 1 641 . 1 1 73 73 LEU HD11 H 1 0.890 0.004 . 2 . . . A 73 LEU HD11 . 17554 1 642 . 1 1 73 73 LEU HD12 H 1 0.890 0.004 . 2 . . . A 73 LEU HD11 . 17554 1 643 . 1 1 73 73 LEU HD13 H 1 0.890 0.004 . 2 . . . A 73 LEU HD11 . 17554 1 644 . 1 1 73 73 LEU HD21 H 1 0.839 0.010 . 2 . . . A 73 LEU HD21 . 17554 1 645 . 1 1 73 73 LEU HD22 H 1 0.839 0.010 . 2 . . . A 73 LEU HD21 . 17554 1 646 . 1 1 73 73 LEU HD23 H 1 0.839 0.010 . 2 . . . A 73 LEU HD21 . 17554 1 647 . 1 1 73 73 LEU CA C 13 55.292 0.053 . 1 . . . A 73 LEU CA . 17554 1 648 . 1 1 73 73 LEU CB C 13 42.355 0.047 . 1 . . . A 73 LEU CB . 17554 1 649 . 1 1 73 73 LEU CG C 13 27.038 0.047 . 1 . . . A 73 LEU CG . 17554 1 650 . 1 1 73 73 LEU CD1 C 13 24.991 0.056 . 2 . . . A 73 LEU CD1 . 17554 1 651 . 1 1 73 73 LEU CD2 C 13 23.346 0.054 . 2 . . . A 73 LEU CD2 . 17554 1 652 . 1 1 73 73 LEU N N 15 121.191 0.040 . 1 . . . A 73 LEU N . 17554 1 653 . 1 1 74 74 ASP H H 1 8.312 0.008 . 1 . . . A 74 ASP H . 17554 1 654 . 1 1 74 74 ASP HA H 1 4.549 0.005 . 1 . . . A 74 ASP HA . 17554 1 655 . 1 1 74 74 ASP HB2 H 1 2.671 0.004 . 2 . . . A 74 ASP HB2 . 17554 1 656 . 1 1 74 74 ASP HB3 H 1 2.603 0.008 . 2 . . . A 74 ASP HB3 . 17554 1 657 . 1 1 74 74 ASP CA C 13 54.451 0.086 . 1 . . . A 74 ASP CA . 17554 1 658 . 1 1 74 74 ASP CB C 13 41.071 0.058 . 1 . . . A 74 ASP CB . 17554 1 659 . 1 1 74 74 ASP N N 15 120.099 0.040 . 1 . . . A 74 ASP N . 17554 1 660 . 1 1 75 75 ASN H H 1 8.254 0.005 . 1 . . . A 75 ASN H . 17554 1 661 . 1 1 75 75 ASN HA H 1 4.627 0.003 . 1 . . . A 75 ASN HA . 17554 1 662 . 1 1 75 75 ASN HB2 H 1 2.773 0.003 . 2 . . . A 75 ASN HB2 . 17554 1 663 . 1 1 75 75 ASN HB3 H 1 2.695 0.009 . 2 . . . A 75 ASN HB3 . 17554 1 664 . 1 1 75 75 ASN CA C 13 53.043 0.066 . 1 . . . A 75 ASN CA . 17554 1 665 . 1 1 75 75 ASN CB C 13 38.723 0.066 . 1 . . . A 75 ASN CB . 17554 1 666 . 1 1 75 75 ASN N N 15 118.544 0.048 . 1 . . . A 75 ASN N . 17554 1 667 . 1 1 76 76 GLN H H 1 8.228 0.009 . 1 . . . A 76 GLN H . 17554 1 668 . 1 1 76 76 GLN HA H 1 4.527 0.006 . 1 . . . A 76 GLN HA . 17554 1 669 . 1 1 76 76 GLN HB2 H 1 2.036 0.002 . 2 . . . A 76 GLN HB2 . 17554 1 670 . 1 1 76 76 GLN HB3 H 1 1.942 0.008 . 2 . . . A 76 GLN HB3 . 17554 1 671 . 1 1 76 76 GLN HG2 H 1 2.371 0.005 . 2 . . . A 76 GLN HG2 . 17554 1 672 . 1 1 76 76 GLN CA C 13 53.613 0.058 . 1 . . . A 76 GLN CA . 17554 1 673 . 1 1 76 76 GLN CB C 13 28.697 0.045 . 1 . . . A 76 GLN CB . 17554 1 674 . 1 1 76 76 GLN CG C 13 33.131 0.088 . 1 . . . A 76 GLN CG . 17554 1 675 . 1 1 76 76 GLN N N 15 121.475 0.047 . 1 . . . A 76 GLN N . 17554 1 676 . 1 1 77 77 PRO HA H 1 4.566 0.009 . 1 . . . A 77 PRO HA . 17554 1 677 . 1 1 77 77 PRO HB2 H 1 2.232 0.006 . 2 . . . A 77 PRO HB2 . 17554 1 678 . 1 1 77 77 PRO HB3 H 1 1.489 0.007 . 2 . . . A 77 PRO HB3 . 17554 1 679 . 1 1 77 77 PRO HG2 H 1 2.011 0.007 . 2 . . . A 77 PRO HG2 . 17554 1 680 . 1 1 77 77 PRO HG3 H 1 1.954 0.007 . 2 . . . A 77 PRO HG3 . 17554 1 681 . 1 1 77 77 PRO HD2 H 1 3.833 0.007 . 2 . . . A 77 PRO HD2 . 17554 1 682 . 1 1 77 77 PRO HD3 H 1 3.515 0.005 . 2 . . . A 77 PRO HD3 . 17554 1 683 . 1 1 77 77 PRO CA C 13 61.219 0.061 . 1 . . . A 77 PRO CA . 17554 1 684 . 1 1 77 77 PRO CB C 13 31.453 0.066 . 1 . . . A 77 PRO CB . 17554 1 685 . 1 1 77 77 PRO CG C 13 27.920 0.064 . 1 . . . A 77 PRO CG . 17554 1 686 . 1 1 77 77 PRO CD C 13 50.383 0.049 . 1 . . . A 77 PRO CD . 17554 1 687 . 1 1 78 78 PRO HA H 1 4.449 0.004 . 1 . . . A 78 PRO HA . 17554 1 688 . 1 1 78 78 PRO HB2 H 1 2.487 0.005 . 2 . . . A 78 PRO HB2 . 17554 1 689 . 1 1 78 78 PRO HB3 H 1 1.933 0.009 . 2 . . . A 78 PRO HB3 . 17554 1 690 . 1 1 78 78 PRO HG2 H 1 2.121 0.004 . 2 . . . A 78 PRO HG2 . 17554 1 691 . 1 1 78 78 PRO HG3 H 1 2.099 0.006 . 2 . . . A 78 PRO HG3 . 17554 1 692 . 1 1 78 78 PRO HD2 H 1 3.877 0.008 . 2 . . . A 78 PRO HD2 . 17554 1 693 . 1 1 78 78 PRO HD3 H 1 3.290 0.007 . 2 . . . A 78 PRO HD3 . 17554 1 694 . 1 1 78 78 PRO CA C 13 62.743 0.086 . 1 . . . A 78 PRO CA . 17554 1 695 . 1 1 78 78 PRO CB C 13 32.168 0.068 . 1 . . . A 78 PRO CB . 17554 1 696 . 1 1 78 78 PRO CG C 13 28.049 0.063 . 1 . . . A 78 PRO CG . 17554 1 697 . 1 1 78 78 PRO CD C 13 50.387 0.046 . 1 . . . A 78 PRO CD . 17554 1 698 . 1 1 79 79 GLU H H 1 9.073 0.005 . 1 . . . A 79 GLU H . 17554 1 699 . 1 1 79 79 GLU HA H 1 3.843 0.008 . 1 . . . A 79 GLU HA . 17554 1 700 . 1 1 79 79 GLU HB2 H 1 2.015 0.008 . 2 . . . A 79 GLU HB2 . 17554 1 701 . 1 1 79 79 GLU HG2 H 1 2.392 0.004 . 2 . . . A 79 GLU HG2 . 17554 1 702 . 1 1 79 79 GLU CA C 13 59.074 0.071 . 1 . . . A 79 GLU CA . 17554 1 703 . 1 1 79 79 GLU CB C 13 28.921 0.113 . 1 . . . A 79 GLU CB . 17554 1 704 . 1 1 79 79 GLU CG C 13 35.378 0.095 . 1 . . . A 79 GLU CG . 17554 1 705 . 1 1 79 79 GLU N N 15 127.716 0.049 . 1 . . . A 79 GLU N . 17554 1 706 . 1 1 80 80 GLU H H 1 9.604 0.005 . 1 . . . A 80 GLU H . 17554 1 707 . 1 1 80 80 GLU HA H 1 4.120 0.006 . 1 . . . A 80 GLU HA . 17554 1 708 . 1 1 80 80 GLU HB2 H 1 2.022 0.008 . 2 . . . A 80 GLU HB2 . 17554 1 709 . 1 1 80 80 GLU HG2 H 1 2.316 0.017 . 2 . . . A 80 GLU HG2 . 17554 1 710 . 1 1 80 80 GLU CA C 13 59.468 0.090 . 1 . . . A 80 GLU CA . 17554 1 711 . 1 1 80 80 GLU CB C 13 28.680 0.089 . 1 . . . A 80 GLU CB . 17554 1 712 . 1 1 80 80 GLU CG C 13 36.356 0.067 . 1 . . . A 80 GLU CG . 17554 1 713 . 1 1 80 80 GLU N N 15 117.579 0.026 . 1 . . . A 80 GLU N . 17554 1 714 . 1 1 81 81 ILE H H 1 7.172 0.008 . 1 . . . A 81 ILE H . 17554 1 715 . 1 1 81 81 ILE HA H 1 4.068 0.007 . 1 . . . A 81 ILE HA . 17554 1 716 . 1 1 81 81 ILE HB H 1 1.849 0.007 . 1 . . . A 81 ILE HB . 17554 1 717 . 1 1 81 81 ILE HG12 H 1 1.630 0.007 . 2 . . . A 81 ILE HG12 . 17554 1 718 . 1 1 81 81 ILE HG13 H 1 1.258 0.007 . 2 . . . A 81 ILE HG13 . 17554 1 719 . 1 1 81 81 ILE HG21 H 1 0.972 0.005 . 1 . . . A 81 ILE HG21 . 17554 1 720 . 1 1 81 81 ILE HG22 H 1 0.972 0.005 . 1 . . . A 81 ILE HG21 . 17554 1 721 . 1 1 81 81 ILE HG23 H 1 0.972 0.005 . 1 . . . A 81 ILE HG21 . 17554 1 722 . 1 1 81 81 ILE HD11 H 1 0.878 0.004 . 1 . . . A 81 ILE HD11 . 17554 1 723 . 1 1 81 81 ILE HD12 H 1 0.878 0.004 . 1 . . . A 81 ILE HD11 . 17554 1 724 . 1 1 81 81 ILE HD13 H 1 0.878 0.004 . 1 . . . A 81 ILE HD11 . 17554 1 725 . 1 1 81 81 ILE CA C 13 63.261 0.064 . 1 . . . A 81 ILE CA . 17554 1 726 . 1 1 81 81 ILE CB C 13 37.248 0.090 . 1 . . . A 81 ILE CB . 17554 1 727 . 1 1 81 81 ILE CG1 C 13 28.051 0.072 . 1 . . . A 81 ILE CG1 . 17554 1 728 . 1 1 81 81 ILE CG2 C 13 19.721 0.079 . 1 . . . A 81 ILE CG2 . 17554 1 729 . 1 1 81 81 ILE CD1 C 13 12.056 0.064 . 1 . . . A 81 ILE CD1 . 17554 1 730 . 1 1 81 81 ILE N N 15 117.488 0.061 . 1 . . . A 81 ILE N . 17554 1 731 . 1 1 82 82 VAL H H 1 7.591 0.006 . 1 . . . A 82 VAL H . 17554 1 732 . 1 1 82 82 VAL HA H 1 3.143 0.006 . 1 . . . A 82 VAL HA . 17554 1 733 . 1 1 82 82 VAL HB H 1 2.160 0.006 . 1 . . . A 82 VAL HB . 17554 1 734 . 1 1 82 82 VAL HG11 H 1 0.749 0.004 . 2 . . . A 82 VAL HG11 . 17554 1 735 . 1 1 82 82 VAL HG12 H 1 0.749 0.004 . 2 . . . A 82 VAL HG11 . 17554 1 736 . 1 1 82 82 VAL HG13 H 1 0.749 0.004 . 2 . . . A 82 VAL HG11 . 17554 1 737 . 1 1 82 82 VAL HG21 H 1 0.882 0.005 . 2 . . . A 82 VAL HG21 . 17554 1 738 . 1 1 82 82 VAL HG22 H 1 0.882 0.005 . 2 . . . A 82 VAL HG21 . 17554 1 739 . 1 1 82 82 VAL HG23 H 1 0.882 0.005 . 2 . . . A 82 VAL HG21 . 17554 1 740 . 1 1 82 82 VAL CA C 13 67.507 0.066 . 1 . . . A 82 VAL CA . 17554 1 741 . 1 1 82 82 VAL CB C 13 31.816 0.065 . 1 . . . A 82 VAL CB . 17554 1 742 . 1 1 82 82 VAL CG1 C 13 23.646 0.047 . 2 . . . A 82 VAL CG1 . 17554 1 743 . 1 1 82 82 VAL CG2 C 13 21.810 0.073 . 2 . . . A 82 VAL CG2 . 17554 1 744 . 1 1 82 82 VAL N N 15 121.739 0.041 . 1 . . . A 82 VAL N . 17554 1 745 . 1 1 83 83 ALA H H 1 8.260 0.005 . 1 . . . A 83 ALA H . 17554 1 746 . 1 1 83 83 ALA HA H 1 4.341 0.005 . 1 . . . A 83 ALA HA . 17554 1 747 . 1 1 83 83 ALA HB1 H 1 1.440 0.007 . 1 . . . A 83 ALA HB1 . 17554 1 748 . 1 1 83 83 ALA HB2 H 1 1.440 0.007 . 1 . . . A 83 ALA HB1 . 17554 1 749 . 1 1 83 83 ALA HB3 H 1 1.440 0.007 . 1 . . . A 83 ALA HB1 . 17554 1 750 . 1 1 83 83 ALA CA C 13 54.186 0.088 . 1 . . . A 83 ALA CA . 17554 1 751 . 1 1 83 83 ALA CB C 13 18.026 0.071 . 1 . . . A 83 ALA CB . 17554 1 752 . 1 1 83 83 ALA N N 15 118.311 0.048 . 1 . . . A 83 ALA N . 17554 1 753 . 1 1 84 84 ILE H H 1 7.298 0.010 . 1 . . . A 84 ILE H . 17554 1 754 . 1 1 84 84 ILE HA H 1 3.737 0.005 . 1 . . . A 84 ILE HA . 17554 1 755 . 1 1 84 84 ILE HB H 1 2.107 0.008 . 1 . . . A 84 ILE HB . 17554 1 756 . 1 1 84 84 ILE HG12 H 1 1.987 0.006 . 2 . . . A 84 ILE HG12 . 17554 1 757 . 1 1 84 84 ILE HG13 H 1 1.198 0.012 . 2 . . . A 84 ILE HG13 . 17554 1 758 . 1 1 84 84 ILE HG21 H 1 0.967 0.007 . 1 . . . A 84 ILE HG21 . 17554 1 759 . 1 1 84 84 ILE HG22 H 1 0.967 0.007 . 1 . . . A 84 ILE HG21 . 17554 1 760 . 1 1 84 84 ILE HG23 H 1 0.967 0.007 . 1 . . . A 84 ILE HG21 . 17554 1 761 . 1 1 84 84 ILE HD11 H 1 0.947 0.006 . 1 . . . A 84 ILE HD11 . 17554 1 762 . 1 1 84 84 ILE HD12 H 1 0.947 0.006 . 1 . . . A 84 ILE HD11 . 17554 1 763 . 1 1 84 84 ILE HD13 H 1 0.947 0.006 . 1 . . . A 84 ILE HD11 . 17554 1 764 . 1 1 84 84 ILE CA C 13 65.095 0.088 . 1 . . . A 84 ILE CA . 17554 1 765 . 1 1 84 84 ILE CB C 13 38.070 0.116 . 1 . . . A 84 ILE CB . 17554 1 766 . 1 1 84 84 ILE CG1 C 13 28.580 0.055 . 1 . . . A 84 ILE CG1 . 17554 1 767 . 1 1 84 84 ILE CG2 C 13 17.567 0.083 . 1 . . . A 84 ILE CG2 . 17554 1 768 . 1 1 84 84 ILE CD1 C 13 13.492 0.066 . 1 . . . A 84 ILE CD1 . 17554 1 769 . 1 1 84 84 ILE N N 15 119.780 0.035 . 1 . . . A 84 ILE N . 17554 1 770 . 1 1 85 85 ILE H H 1 7.426 0.011 . 1 . . . A 85 ILE H . 17554 1 771 . 1 1 85 85 ILE HA H 1 3.884 0.005 . 1 . . . A 85 ILE HA . 17554 1 772 . 1 1 85 85 ILE HB H 1 1.946 0.007 . 1 . . . A 85 ILE HB . 17554 1 773 . 1 1 85 85 ILE HG12 H 1 1.864 0.004 . 2 . . . A 85 ILE HG12 . 17554 1 774 . 1 1 85 85 ILE HG13 H 1 0.791 0.008 . 2 . . . A 85 ILE HG13 . 17554 1 775 . 1 1 85 85 ILE HG21 H 1 0.796 0.006 . 1 . . . A 85 ILE HG21 . 17554 1 776 . 1 1 85 85 ILE HG22 H 1 0.796 0.006 . 1 . . . A 85 ILE HG21 . 17554 1 777 . 1 1 85 85 ILE HG23 H 1 0.796 0.006 . 1 . . . A 85 ILE HG21 . 17554 1 778 . 1 1 85 85 ILE HD11 H 1 0.699 0.009 . 1 . . . A 85 ILE HD11 . 17554 1 779 . 1 1 85 85 ILE HD12 H 1 0.699 0.009 . 1 . . . A 85 ILE HD11 . 17554 1 780 . 1 1 85 85 ILE HD13 H 1 0.699 0.009 . 1 . . . A 85 ILE HD11 . 17554 1 781 . 1 1 85 85 ILE CA C 13 66.207 0.056 . 1 . . . A 85 ILE CA . 17554 1 782 . 1 1 85 85 ILE CB C 13 38.043 0.068 . 1 . . . A 85 ILE CB . 17554 1 783 . 1 1 85 85 ILE CG1 C 13 29.212 0.073 . 1 . . . A 85 ILE CG1 . 17554 1 784 . 1 1 85 85 ILE CG2 C 13 18.741 0.081 . 1 . . . A 85 ILE CG2 . 17554 1 785 . 1 1 85 85 ILE CD1 C 13 13.472 0.058 . 1 . . . A 85 ILE CD1 . 17554 1 786 . 1 1 85 85 ILE N N 15 119.424 0.052 . 1 . . . A 85 ILE N . 17554 1 787 . 1 1 86 86 THR H H 1 9.097 0.006 . 1 . . . A 86 THR H . 17554 1 788 . 1 1 86 86 THR HA H 1 4.669 0.006 . 1 . . . A 86 THR HA . 17554 1 789 . 1 1 86 86 THR HB H 1 4.389 0.008 . 1 . . . A 86 THR HB . 17554 1 790 . 1 1 86 86 THR HG21 H 1 1.156 0.007 . 1 . . . A 86 THR HG21 . 17554 1 791 . 1 1 86 86 THR HG22 H 1 1.156 0.007 . 1 . . . A 86 THR HG21 . 17554 1 792 . 1 1 86 86 THR HG23 H 1 1.156 0.007 . 1 . . . A 86 THR HG21 . 17554 1 793 . 1 1 86 86 THR CA C 13 64.995 0.101 . 1 . . . A 86 THR CA . 17554 1 794 . 1 1 86 86 THR CB C 13 68.293 0.050 . 1 . . . A 86 THR CB . 17554 1 795 . 1 1 86 86 THR CG2 C 13 21.169 0.185 . 1 . . . A 86 THR CG2 . 17554 1 796 . 1 1 86 86 THR N N 15 112.538 0.036 . 1 . . . A 86 THR N . 17554 1 797 . 1 1 87 87 SER H H 1 8.250 0.007 . 1 . . . A 87 SER H . 17554 1 798 . 1 1 87 87 SER HA H 1 4.397 0.003 . 1 . . . A 87 SER HA . 17554 1 799 . 1 1 87 87 SER HB2 H 1 4.124 0.006 . 2 . . . A 87 SER HB2 . 17554 1 800 . 1 1 87 87 SER CA C 13 61.715 0.072 . 1 . . . A 87 SER CA . 17554 1 801 . 1 1 87 87 SER CB C 13 62.804 0.080 . 1 . . . A 87 SER CB . 17554 1 802 . 1 1 87 87 SER N N 15 120.681 0.043 . 1 . . . A 87 SER N . 17554 1 803 . 1 1 88 88 MET H H 1 7.550 0.006 . 1 . . . A 88 MET H . 17554 1 804 . 1 1 88 88 MET HA H 1 4.399 0.003 . 1 . . . A 88 MET HA . 17554 1 805 . 1 1 88 88 MET HB2 H 1 2.529 0.008 . 2 . . . A 88 MET HB2 . 17554 1 806 . 1 1 88 88 MET HG2 H 1 3.057 0.009 . 2 . . . A 88 MET HG2 . 17554 1 807 . 1 1 88 88 MET HG3 H 1 2.658 0.007 . 2 . . . A 88 MET HG3 . 17554 1 808 . 1 1 88 88 MET CA C 13 56.596 0.063 . 1 . . . A 88 MET CA . 17554 1 809 . 1 1 88 88 MET CB C 13 33.330 0.077 . 1 . . . A 88 MET CB . 17554 1 810 . 1 1 88 88 MET CG C 13 32.831 0.072 . 1 . . . A 88 MET CG . 17554 1 811 . 1 1 88 88 MET N N 15 119.753 0.032 . 1 . . . A 88 MET N . 17554 1 812 . 1 1 89 89 GLY H H 1 7.866 0.011 . 1 . . . A 89 GLY H . 17554 1 813 . 1 1 89 89 GLY HA2 H 1 4.134 0.003 . 1 . . . A 89 GLY HA2 . 17554 1 814 . 1 1 89 89 GLY HA3 H 1 3.599 0.010 . 2 . . . A 89 GLY HA3 . 17554 1 815 . 1 1 89 89 GLY CA C 13 44.767 0.069 . 1 . . . A 89 GLY CA . 17554 1 816 . 1 1 89 89 GLY N N 15 105.282 0.049 . 1 . . . A 89 GLY N . 17554 1 817 . 1 1 90 90 PHE H H 1 6.675 0.009 . 1 . . . A 90 PHE H . 17554 1 818 . 1 1 90 90 PHE HA H 1 4.721 0.008 . 1 . . . A 90 PHE HA . 17554 1 819 . 1 1 90 90 PHE HB2 H 1 3.108 0.007 . 2 . . . A 90 PHE HB2 . 17554 1 820 . 1 1 90 90 PHE HB3 H 1 2.441 0.005 . 2 . . . A 90 PHE HB3 . 17554 1 821 . 1 1 90 90 PHE CA C 13 57.670 0.071 . 1 . . . A 90 PHE CA . 17554 1 822 . 1 1 90 90 PHE CB C 13 39.706 0.069 . 1 . . . A 90 PHE CB . 17554 1 823 . 1 1 90 90 PHE N N 15 118.182 0.026 . 1 . . . A 90 PHE N . 17554 1 824 . 1 1 91 91 GLN H H 1 8.854 0.007 . 1 . . . A 91 GLN H . 17554 1 825 . 1 1 91 91 GLN HA H 1 4.356 0.008 . 1 . . . A 91 GLN HA . 17554 1 826 . 1 1 91 91 GLN HB2 H 1 2.468 0.007 . 2 . . . A 91 GLN HB2 . 17554 1 827 . 1 1 91 91 GLN HB3 H 1 2.003 0.007 . 2 . . . A 91 GLN HB3 . 17554 1 828 . 1 1 91 91 GLN HG2 H 1 2.646 0.013 . 2 . . . A 91 GLN HG2 . 17554 1 829 . 1 1 91 91 GLN HG3 H 1 2.588 0.006 . 2 . . . A 91 GLN HG3 . 17554 1 830 . 1 1 91 91 GLN CA C 13 55.485 0.089 . 1 . . . A 91 GLN CA . 17554 1 831 . 1 1 91 91 GLN CB C 13 29.969 0.046 . 1 . . . A 91 GLN CB . 17554 1 832 . 1 1 91 91 GLN CG C 13 34.314 0.086 . 1 . . . A 91 GLN CG . 17554 1 833 . 1 1 91 91 GLN N N 15 118.581 0.033 . 1 . . . A 91 GLN N . 17554 1 834 . 1 1 92 92 ARG H H 1 9.124 0.007 . 1 . . . A 92 ARG H . 17554 1 835 . 1 1 92 92 ARG HA H 1 3.624 0.007 . 1 . . . A 92 ARG HA . 17554 1 836 . 1 1 92 92 ARG HB2 H 1 1.858 0.006 . 2 . . . A 92 ARG HB2 . 17554 1 837 . 1 1 92 92 ARG HB3 H 1 1.778 0.009 . 2 . . . A 92 ARG HB3 . 17554 1 838 . 1 1 92 92 ARG HG2 H 1 1.473 0.006 . 2 . . . A 92 ARG HG2 . 17554 1 839 . 1 1 92 92 ARG HD2 H 1 3.233 0.005 . 2 . . . A 92 ARG HD2 . 17554 1 840 . 1 1 92 92 ARG HD3 H 1 3.155 0.008 . 2 . . . A 92 ARG HD3 . 17554 1 841 . 1 1 92 92 ARG CA C 13 60.847 0.055 . 1 . . . A 92 ARG CA . 17554 1 842 . 1 1 92 92 ARG CB C 13 29.579 0.102 . 1 . . . A 92 ARG CB . 17554 1 843 . 1 1 92 92 ARG CG C 13 28.613 0.058 . 1 . . . A 92 ARG CG . 17554 1 844 . 1 1 92 92 ARG CD C 13 42.938 0.050 . 1 . . . A 92 ARG CD . 17554 1 845 . 1 1 92 92 ARG N N 15 124.037 0.060 . 1 . . . A 92 ARG N . 17554 1 846 . 1 1 93 93 ASN H H 1 9.117 0.005 . 1 . . . A 93 ASN H . 17554 1 847 . 1 1 93 93 ASN HA H 1 4.395 0.005 . 1 . . . A 93 ASN HA . 17554 1 848 . 1 1 93 93 ASN HB2 H 1 2.871 0.008 . 2 . . . A 93 ASN HB2 . 17554 1 849 . 1 1 93 93 ASN HB3 H 1 2.833 0.006 . 2 . . . A 93 ASN HB3 . 17554 1 850 . 1 1 93 93 ASN CA C 13 56.562 0.081 . 1 . . . A 93 ASN CA . 17554 1 851 . 1 1 93 93 ASN CB C 13 37.059 0.040 . 1 . . . A 93 ASN CB . 17554 1 852 . 1 1 93 93 ASN N N 15 115.060 0.032 . 1 . . . A 93 ASN N . 17554 1 853 . 1 1 94 94 GLN H H 1 7.033 0.014 . 1 . . . A 94 GLN H . 17554 1 854 . 1 1 94 94 GLN HA H 1 3.933 0.007 . 1 . . . A 94 GLN HA . 17554 1 855 . 1 1 94 94 GLN HB2 H 1 2.030 0.006 . 2 . . . A 94 GLN HB2 . 17554 1 856 . 1 1 94 94 GLN HG2 H 1 2.268 0.006 . 2 . . . A 94 GLN HG2 . 17554 1 857 . 1 1 94 94 GLN HG3 H 1 2.120 0.002 . 2 . . . A 94 GLN HG3 . 17554 1 858 . 1 1 94 94 GLN CA C 13 58.775 0.054 . 1 . . . A 94 GLN CA . 17554 1 859 . 1 1 94 94 GLN CB C 13 29.075 0.079 . 1 . . . A 94 GLN CB . 17554 1 860 . 1 1 94 94 GLN CG C 13 34.381 0.097 . 1 . . . A 94 GLN CG . 17554 1 861 . 1 1 94 94 GLN N N 15 119.980 0.049 . 1 . . . A 94 GLN N . 17554 1 862 . 1 1 95 95 ALA H H 1 7.996 0.009 . 1 . . . A 95 ALA H . 17554 1 863 . 1 1 95 95 ALA HA H 1 3.761 0.007 . 1 . . . A 95 ALA HA . 17554 1 864 . 1 1 95 95 ALA HB1 H 1 1.457 0.011 . 1 . . . A 95 ALA HB1 . 17554 1 865 . 1 1 95 95 ALA HB2 H 1 1.457 0.011 . 1 . . . A 95 ALA HB1 . 17554 1 866 . 1 1 95 95 ALA HB3 H 1 1.457 0.011 . 1 . . . A 95 ALA HB1 . 17554 1 867 . 1 1 95 95 ALA CA C 13 55.680 0.052 . 1 . . . A 95 ALA CA . 17554 1 868 . 1 1 95 95 ALA CB C 13 19.601 0.065 . 1 . . . A 95 ALA CB . 17554 1 869 . 1 1 95 95 ALA N N 15 120.823 0.113 . 1 . . . A 95 ALA N . 17554 1 870 . 1 1 96 96 ILE H H 1 8.408 0.004 . 1 . . . A 96 ILE H . 17554 1 871 . 1 1 96 96 ILE HA H 1 3.420 0.007 . 1 . . . A 96 ILE HA . 17554 1 872 . 1 1 96 96 ILE HB H 1 1.853 0.005 . 1 . . . A 96 ILE HB . 17554 1 873 . 1 1 96 96 ILE HG12 H 1 1.751 0.009 . 2 . . . A 96 ILE HG12 . 17554 1 874 . 1 1 96 96 ILE HG13 H 1 1.000 0.004 . 2 . . . A 96 ILE HG13 . 17554 1 875 . 1 1 96 96 ILE HG21 H 1 0.820 0.008 . 1 . . . A 96 ILE HG21 . 17554 1 876 . 1 1 96 96 ILE HG22 H 1 0.820 0.008 . 1 . . . A 96 ILE HG21 . 17554 1 877 . 1 1 96 96 ILE HG23 H 1 0.820 0.008 . 1 . . . A 96 ILE HG21 . 17554 1 878 . 1 1 96 96 ILE HD11 H 1 0.851 0.008 . 1 . . . A 96 ILE HD11 . 17554 1 879 . 1 1 96 96 ILE HD12 H 1 0.851 0.008 . 1 . . . A 96 ILE HD11 . 17554 1 880 . 1 1 96 96 ILE HD13 H 1 0.851 0.008 . 1 . . . A 96 ILE HD11 . 17554 1 881 . 1 1 96 96 ILE CA C 13 65.611 0.046 . 1 . . . A 96 ILE CA . 17554 1 882 . 1 1 96 96 ILE CB C 13 37.869 0.063 . 1 . . . A 96 ILE CB . 17554 1 883 . 1 1 96 96 ILE CG1 C 13 30.409 0.098 . 1 . . . A 96 ILE CG1 . 17554 1 884 . 1 1 96 96 ILE CG2 C 13 16.887 0.066 . 1 . . . A 96 ILE CG2 . 17554 1 885 . 1 1 96 96 ILE CD1 C 13 13.273 0.063 . 1 . . . A 96 ILE CD1 . 17554 1 886 . 1 1 96 96 ILE N N 15 116.250 0.043 . 1 . . . A 96 ILE N . 17554 1 887 . 1 1 97 97 GLN H H 1 7.767 0.011 . 1 . . . A 97 GLN H . 17554 1 888 . 1 1 97 97 GLN HA H 1 3.734 0.005 . 1 . . . A 97 GLN HA . 17554 1 889 . 1 1 97 97 GLN HB2 H 1 2.033 0.006 . 2 . . . A 97 GLN HB2 . 17554 1 890 . 1 1 97 97 GLN HB3 H 1 1.920 0.014 . 2 . . . A 97 GLN HB3 . 17554 1 891 . 1 1 97 97 GLN HG2 H 1 2.358 0.008 . 2 . . . A 97 GLN HG2 . 17554 1 892 . 1 1 97 97 GLN HG3 H 1 2.249 0.005 . 2 . . . A 97 GLN HG3 . 17554 1 893 . 1 1 97 97 GLN CA C 13 59.011 0.060 . 1 . . . A 97 GLN CA . 17554 1 894 . 1 1 97 97 GLN CB C 13 28.425 0.059 . 1 . . . A 97 GLN CB . 17554 1 895 . 1 1 97 97 GLN CG C 13 34.025 0.076 . 1 . . . A 97 GLN CG . 17554 1 896 . 1 1 97 97 GLN N N 15 118.601 0.047 . 1 . . . A 97 GLN N . 17554 1 897 . 1 1 98 98 ALA H H 1 7.905 0.009 . 1 . . . A 98 ALA H . 17554 1 898 . 1 1 98 98 ALA HA H 1 2.748 0.005 . 1 . . . A 98 ALA HA . 17554 1 899 . 1 1 98 98 ALA HB1 H 1 1.491 0.008 . 1 . . . A 98 ALA HB1 . 17554 1 900 . 1 1 98 98 ALA HB2 H 1 1.491 0.008 . 1 . . . A 98 ALA HB1 . 17554 1 901 . 1 1 98 98 ALA HB3 H 1 1.491 0.008 . 1 . . . A 98 ALA HB1 . 17554 1 902 . 1 1 98 98 ALA CA C 13 54.408 0.040 . 1 . . . A 98 ALA CA . 17554 1 903 . 1 1 98 98 ALA CB C 13 20.084 0.043 . 1 . . . A 98 ALA CB . 17554 1 904 . 1 1 98 98 ALA N N 15 121.375 0.063 . 1 . . . A 98 ALA N . 17554 1 905 . 1 1 99 99 LEU H H 1 7.938 0.007 . 1 . . . A 99 LEU H . 17554 1 906 . 1 1 99 99 LEU HA H 1 3.717 0.006 . 1 . . . A 99 LEU HA . 17554 1 907 . 1 1 99 99 LEU HB2 H 1 1.700 0.012 . 2 . . . A 99 LEU HB2 . 17554 1 908 . 1 1 99 99 LEU HG H 1 1.496 0.010 . 1 . . . A 99 LEU HG . 17554 1 909 . 1 1 99 99 LEU HD11 H 1 0.634 0.009 . 2 . . . A 99 LEU HD11 . 17554 1 910 . 1 1 99 99 LEU HD12 H 1 0.634 0.009 . 2 . . . A 99 LEU HD11 . 17554 1 911 . 1 1 99 99 LEU HD13 H 1 0.634 0.009 . 2 . . . A 99 LEU HD11 . 17554 1 912 . 1 1 99 99 LEU HD21 H 1 0.504 0.005 . 2 . . . A 99 LEU HD21 . 17554 1 913 . 1 1 99 99 LEU HD22 H 1 0.504 0.005 . 2 . . . A 99 LEU HD21 . 17554 1 914 . 1 1 99 99 LEU HD23 H 1 0.504 0.005 . 2 . . . A 99 LEU HD21 . 17554 1 915 . 1 1 99 99 LEU CA C 13 57.529 0.031 . 1 . . . A 99 LEU CA . 17554 1 916 . 1 1 99 99 LEU CB C 13 40.714 0.032 . 1 . . . A 99 LEU CB . 17554 1 917 . 1 1 99 99 LEU CG C 13 27.429 0.049 . 1 . . . A 99 LEU CG . 17554 1 918 . 1 1 99 99 LEU CD1 C 13 27.307 0.049 . 2 . . . A 99 LEU CD1 . 17554 1 919 . 1 1 99 99 LEU CD2 C 13 23.417 0.038 . 2 . . . A 99 LEU CD2 . 17554 1 920 . 1 1 99 99 LEU N N 15 118.409 0.032 . 1 . . . A 99 LEU N . 17554 1 921 . 1 1 100 100 ARG H H 1 8.248 0.006 . 1 . . . A 100 ARG H . 17554 1 922 . 1 1 100 100 ARG HA H 1 4.107 0.006 . 1 . . . A 100 ARG HA . 17554 1 923 . 1 1 100 100 ARG HB2 H 1 1.731 0.007 . 2 . . . A 100 ARG HB2 . 17554 1 924 . 1 1 100 100 ARG HG2 H 1 1.750 0.007 . 2 . . . A 100 ARG HG2 . 17554 1 925 . 1 1 100 100 ARG HG3 H 1 1.586 0.003 . 2 . . . A 100 ARG HG3 . 17554 1 926 . 1 1 100 100 ARG HD2 H 1 3.067 0.005 . 2 . . . A 100 ARG HD2 . 17554 1 927 . 1 1 100 100 ARG CA C 13 59.182 0.060 . 1 . . . A 100 ARG CA . 17554 1 928 . 1 1 100 100 ARG CB C 13 30.021 0.055 . 1 . . . A 100 ARG CB . 17554 1 929 . 1 1 100 100 ARG CG C 13 28.153 0.117 . 1 . . . A 100 ARG CG . 17554 1 930 . 1 1 100 100 ARG CD C 13 43.693 0.063 . 1 . . . A 100 ARG CD . 17554 1 931 . 1 1 100 100 ARG N N 15 119.771 0.063 . 1 . . . A 100 ARG N . 17554 1 932 . 1 1 101 101 ALA H H 1 7.324 0.008 . 1 . . . A 101 ALA H . 17554 1 933 . 1 1 101 101 ALA HA H 1 3.983 0.005 . 1 . . . A 101 ALA HA . 17554 1 934 . 1 1 101 101 ALA HB1 H 1 0.639 0.009 . 1 . . . A 101 ALA HB1 . 17554 1 935 . 1 1 101 101 ALA HB2 H 1 0.639 0.009 . 1 . . . A 101 ALA HB1 . 17554 1 936 . 1 1 101 101 ALA HB3 H 1 0.639 0.009 . 1 . . . A 101 ALA HB1 . 17554 1 937 . 1 1 101 101 ALA CA C 13 53.663 0.077 . 1 . . . A 101 ALA CA . 17554 1 938 . 1 1 101 101 ALA CB C 13 17.946 0.032 . 1 . . . A 101 ALA CB . 17554 1 939 . 1 1 101 101 ALA N N 15 119.288 0.055 . 1 . . . A 101 ALA N . 17554 1 940 . 1 1 102 102 THR H H 1 7.113 0.010 . 1 . . . A 102 THR H . 17554 1 941 . 1 1 102 102 THR HA H 1 4.429 0.007 . 1 . . . A 102 THR HA . 17554 1 942 . 1 1 102 102 THR HB H 1 4.444 0.007 . 1 . . . A 102 THR HB . 17554 1 943 . 1 1 102 102 THR HG21 H 1 0.884 0.005 . 1 . . . A 102 THR HG21 . 17554 1 944 . 1 1 102 102 THR HG22 H 1 0.884 0.005 . 1 . . . A 102 THR HG21 . 17554 1 945 . 1 1 102 102 THR HG23 H 1 0.884 0.005 . 1 . . . A 102 THR HG21 . 17554 1 946 . 1 1 102 102 THR CA C 13 60.535 0.047 . 1 . . . A 102 THR CA . 17554 1 947 . 1 1 102 102 THR CB C 13 71.036 8.311 . 1 . . . A 102 THR CB . 17554 1 948 . 1 1 102 102 THR CG2 C 13 20.323 0.179 . 1 . . . A 102 THR CG2 . 17554 1 949 . 1 1 102 102 THR N N 15 105.233 0.046 . 1 . . . A 102 THR N . 17554 1 950 . 1 1 103 103 ASN H H 1 7.701 0.007 . 1 . . . A 103 ASN H . 17554 1 951 . 1 1 103 103 ASN HA H 1 4.343 0.003 . 1 . . . A 103 ASN HA . 17554 1 952 . 1 1 103 103 ASN HB2 H 1 3.061 0.007 . 2 . . . A 103 ASN HB2 . 17554 1 953 . 1 1 103 103 ASN HB3 H 1 2.595 0.007 . 2 . . . A 103 ASN HB3 . 17554 1 954 . 1 1 103 103 ASN CA C 13 54.462 0.112 . 1 . . . A 103 ASN CA . 17554 1 955 . 1 1 103 103 ASN CB C 13 36.960 0.032 . 1 . . . A 103 ASN CB . 17554 1 956 . 1 1 103 103 ASN N N 15 119.293 0.036 . 1 . . . A 103 ASN N . 17554 1 957 . 1 1 104 104 ASN H H 1 9.048 0.006 . 1 . . . A 104 ASN H . 17554 1 958 . 1 1 104 104 ASN HA H 1 3.956 0.006 . 1 . . . A 104 ASN HA . 17554 1 959 . 1 1 104 104 ASN HB2 H 1 3.123 0.007 . 2 . . . A 104 ASN HB2 . 17554 1 960 . 1 1 104 104 ASN HB3 H 1 2.718 0.005 . 2 . . . A 104 ASN HB3 . 17554 1 961 . 1 1 104 104 ASN CA C 13 54.757 0.106 . 1 . . . A 104 ASN CA . 17554 1 962 . 1 1 104 104 ASN CB C 13 36.151 0.041 . 1 . . . A 104 ASN CB . 17554 1 963 . 1 1 104 104 ASN N N 15 108.274 0.053 . 1 . . . A 104 ASN N . 17554 1 964 . 1 1 105 105 ASN H H 1 7.061 0.019 . 1 . . . A 105 ASN H . 17554 1 965 . 1 1 105 105 ASN HA H 1 4.728 0.007 . 1 . . . A 105 ASN HA . 17554 1 966 . 1 1 105 105 ASN HB2 H 1 2.862 0.007 . 2 . . . A 105 ASN HB2 . 17554 1 967 . 1 1 105 105 ASN HB3 H 1 2.760 0.006 . 2 . . . A 105 ASN HB3 . 17554 1 968 . 1 1 105 105 ASN CA C 13 53.081 0.048 . 1 . . . A 105 ASN CA . 17554 1 969 . 1 1 105 105 ASN CB C 13 40.405 0.051 . 1 . . . A 105 ASN CB . 17554 1 970 . 1 1 105 105 ASN N N 15 118.458 0.040 . 1 . . . A 105 ASN N . 17554 1 971 . 1 1 106 106 LEU H H 1 8.718 0.005 . 1 . . . A 106 LEU H . 17554 1 972 . 1 1 106 106 LEU HA H 1 3.732 0.007 . 1 . . . A 106 LEU HA . 17554 1 973 . 1 1 106 106 LEU HB2 H 1 1.820 0.005 . 2 . . . A 106 LEU HB2 . 17554 1 974 . 1 1 106 106 LEU HB3 H 1 1.534 0.005 . 2 . . . A 106 LEU HB3 . 17554 1 975 . 1 1 106 106 LEU HG H 1 1.532 0.007 . 1 . . . A 106 LEU HG . 17554 1 976 . 1 1 106 106 LEU HD11 H 1 0.982 0.005 . 2 . . . A 106 LEU HD11 . 17554 1 977 . 1 1 106 106 LEU HD12 H 1 0.982 0.005 . 2 . . . A 106 LEU HD11 . 17554 1 978 . 1 1 106 106 LEU HD13 H 1 0.982 0.005 . 2 . . . A 106 LEU HD11 . 17554 1 979 . 1 1 106 106 LEU HD21 H 1 0.886 0.006 . 2 . . . A 106 LEU HD21 . 17554 1 980 . 1 1 106 106 LEU HD22 H 1 0.886 0.006 . 2 . . . A 106 LEU HD21 . 17554 1 981 . 1 1 106 106 LEU HD23 H 1 0.886 0.006 . 2 . . . A 106 LEU HD21 . 17554 1 982 . 1 1 106 106 LEU CA C 13 59.307 0.068 . 1 . . . A 106 LEU CA . 17554 1 983 . 1 1 106 106 LEU CB C 13 42.071 0.054 . 1 . . . A 106 LEU CB . 17554 1 984 . 1 1 106 106 LEU CG C 13 27.343 0.073 . 1 . . . A 106 LEU CG . 17554 1 985 . 1 1 106 106 LEU CD1 C 13 26.017 0.050 . 2 . . . A 106 LEU CD1 . 17554 1 986 . 1 1 106 106 LEU CD2 C 13 23.653 0.050 . 2 . . . A 106 LEU CD2 . 17554 1 987 . 1 1 106 106 LEU N N 15 128.727 0.050 . 1 . . . A 106 LEU N . 17554 1 988 . 1 1 107 107 GLU H H 1 8.390 0.007 . 1 . . . A 107 GLU H . 17554 1 989 . 1 1 107 107 GLU HA H 1 3.890 0.007 . 1 . . . A 107 GLU HA . 17554 1 990 . 1 1 107 107 GLU HB2 H 1 2.153 0.006 . 2 . . . A 107 GLU HB2 . 17554 1 991 . 1 1 107 107 GLU HB3 H 1 2.088 0.007 . 2 . . . A 107 GLU HB3 . 17554 1 992 . 1 1 107 107 GLU HG2 H 1 2.351 0.009 . 2 . . . A 107 GLU HG2 . 17554 1 993 . 1 1 107 107 GLU CA C 13 60.871 0.069 . 1 . . . A 107 GLU CA . 17554 1 994 . 1 1 107 107 GLU CB C 13 28.881 0.066 . 1 . . . A 107 GLU CB . 17554 1 995 . 1 1 107 107 GLU CG C 13 37.133 0.098 . 1 . . . A 107 GLU CG . 17554 1 996 . 1 1 107 107 GLU N N 15 117.325 0.058 . 1 . . . A 107 GLU N . 17554 1 997 . 1 1 108 108 ARG H H 1 8.410 0.006 . 1 . . . A 108 ARG H . 17554 1 998 . 1 1 108 108 ARG HA H 1 4.265 0.004 . 1 . . . A 108 ARG HA . 17554 1 999 . 1 1 108 108 ARG HB2 H 1 1.971 0.005 . 2 . . . A 108 ARG HB2 . 17554 1 1000 . 1 1 108 108 ARG HB3 H 1 1.857 0.006 . 2 . . . A 108 ARG HB3 . 17554 1 1001 . 1 1 108 108 ARG HG2 H 1 1.879 0.011 . 2 . . . A 108 ARG HG2 . 17554 1 1002 . 1 1 108 108 ARG HG3 H 1 1.743 0.005 . 2 . . . A 108 ARG HG3 . 17554 1 1003 . 1 1 108 108 ARG HD2 H 1 3.272 0.009 . 2 . . . A 108 ARG HD2 . 17554 1 1004 . 1 1 108 108 ARG CA C 13 58.748 0.036 . 1 . . . A 108 ARG CA . 17554 1 1005 . 1 1 108 108 ARG CB C 13 30.650 0.070 . 1 . . . A 108 ARG CB . 17554 1 1006 . 1 1 108 108 ARG CG C 13 27.504 0.102 . 1 . . . A 108 ARG CG . 17554 1 1007 . 1 1 108 108 ARG CD C 13 43.598 0.037 . 1 . . . A 108 ARG CD . 17554 1 1008 . 1 1 108 108 ARG N N 15 117.912 0.042 . 1 . . . A 108 ARG N . 17554 1 1009 . 1 1 109 109 ALA H H 1 9.083 0.004 . 1 . . . A 109 ALA H . 17554 1 1010 . 1 1 109 109 ALA HA H 1 3.900 0.007 . 1 . . . A 109 ALA HA . 17554 1 1011 . 1 1 109 109 ALA HB1 H 1 1.239 0.006 . 1 . . . A 109 ALA HB1 . 17554 1 1012 . 1 1 109 109 ALA HB2 H 1 1.239 0.006 . 1 . . . A 109 ALA HB1 . 17554 1 1013 . 1 1 109 109 ALA HB3 H 1 1.239 0.006 . 1 . . . A 109 ALA HB1 . 17554 1 1014 . 1 1 109 109 ALA CA C 13 55.518 0.100 . 1 . . . A 109 ALA CA . 17554 1 1015 . 1 1 109 109 ALA CB C 13 17.772 0.029 . 1 . . . A 109 ALA CB . 17554 1 1016 . 1 1 109 109 ALA N N 15 127.124 0.040 . 1 . . . A 109 ALA N . 17554 1 1017 . 1 1 110 110 LEU H H 1 8.215 0.006 . 1 . . . A 110 LEU H . 17554 1 1018 . 1 1 110 110 LEU HA H 1 3.777 0.009 . 1 . . . A 110 LEU HA . 17554 1 1019 . 1 1 110 110 LEU HB2 H 1 1.925 0.009 . 2 . . . A 110 LEU HB2 . 17554 1 1020 . 1 1 110 110 LEU HB3 H 1 1.379 0.004 . 2 . . . A 110 LEU HB3 . 17554 1 1021 . 1 1 110 110 LEU HG H 1 1.754 0.008 . 1 . . . A 110 LEU HG . 17554 1 1022 . 1 1 110 110 LEU HD11 H 1 0.908 0.014 . 2 . . . A 110 LEU HD11 . 17554 1 1023 . 1 1 110 110 LEU HD12 H 1 0.908 0.014 . 2 . . . A 110 LEU HD11 . 17554 1 1024 . 1 1 110 110 LEU HD13 H 1 0.908 0.014 . 2 . . . A 110 LEU HD11 . 17554 1 1025 . 1 1 110 110 LEU HD21 H 1 0.836 0.010 . 2 . . . A 110 LEU HD21 . 17554 1 1026 . 1 1 110 110 LEU HD22 H 1 0.836 0.010 . 2 . . . A 110 LEU HD21 . 17554 1 1027 . 1 1 110 110 LEU HD23 H 1 0.836 0.010 . 2 . . . A 110 LEU HD21 . 17554 1 1028 . 1 1 110 110 LEU CA C 13 57.997 0.051 . 1 . . . A 110 LEU CA . 17554 1 1029 . 1 1 110 110 LEU CB C 13 40.963 0.053 . 1 . . . A 110 LEU CB . 17554 1 1030 . 1 1 110 110 LEU CG C 13 27.264 0.078 . 1 . . . A 110 LEU CG . 17554 1 1031 . 1 1 110 110 LEU CD1 C 13 25.547 0.136 . 2 . . . A 110 LEU CD1 . 17554 1 1032 . 1 1 110 110 LEU CD2 C 13 23.357 0.040 . 2 . . . A 110 LEU CD2 . 17554 1 1033 . 1 1 110 110 LEU N N 15 118.715 0.032 . 1 . . . A 110 LEU N . 17554 1 1034 . 1 1 111 111 ASP H H 1 7.400 0.008 . 1 . . . A 111 ASP H . 17554 1 1035 . 1 1 111 111 ASP HA H 1 4.484 0.007 . 1 . . . A 111 ASP HA . 17554 1 1036 . 1 1 111 111 ASP HB2 H 1 2.840 0.011 . 2 . . . A 111 ASP HB2 . 17554 1 1037 . 1 1 111 111 ASP HB3 H 1 2.784 0.012 . 2 . . . A 111 ASP HB3 . 17554 1 1038 . 1 1 111 111 ASP CA C 13 57.634 0.060 . 1 . . . A 111 ASP CA . 17554 1 1039 . 1 1 111 111 ASP CB C 13 41.026 0.063 . 1 . . . A 111 ASP CB . 17554 1 1040 . 1 1 111 111 ASP N N 15 118.516 0.070 . 1 . . . A 111 ASP N . 17554 1 1041 . 1 1 112 112 TRP H H 1 8.525 0.004 . 1 . . . A 112 TRP H . 17554 1 1042 . 1 1 112 112 TRP HA H 1 4.097 0.006 . 1 . . . A 112 TRP HA . 17554 1 1043 . 1 1 112 112 TRP HB2 H 1 3.709 0.011 . 2 . . . A 112 TRP HB2 . 17554 1 1044 . 1 1 112 112 TRP HB3 H 1 3.219 0.007 . 2 . . . A 112 TRP HB3 . 17554 1 1045 . 1 1 112 112 TRP CA C 13 62.365 0.042 . 1 . . . A 112 TRP CA . 17554 1 1046 . 1 1 112 112 TRP CB C 13 29.490 0.048 . 1 . . . A 112 TRP CB . 17554 1 1047 . 1 1 112 112 TRP N N 15 122.780 0.035 . 1 . . . A 112 TRP N . 17554 1 1048 . 1 1 113 113 ILE H H 1 8.618 0.008 . 1 . . . A 113 ILE H . 17554 1 1049 . 1 1 113 113 ILE HA H 1 3.575 0.005 . 1 . . . A 113 ILE HA . 17554 1 1050 . 1 1 113 113 ILE HB H 1 1.572 0.009 . 1 . . . A 113 ILE HB . 17554 1 1051 . 1 1 113 113 ILE HG12 H 1 1.915 0.008 . 2 . . . A 113 ILE HG12 . 17554 1 1052 . 1 1 113 113 ILE HG13 H 1 0.707 0.008 . 2 . . . A 113 ILE HG13 . 17554 1 1053 . 1 1 113 113 ILE HG21 H 1 0.148 0.007 . 1 . . . A 113 ILE HG21 . 17554 1 1054 . 1 1 113 113 ILE HG22 H 1 0.148 0.007 . 1 . . . A 113 ILE HG21 . 17554 1 1055 . 1 1 113 113 ILE HG23 H 1 0.148 0.007 . 1 . . . A 113 ILE HG21 . 17554 1 1056 . 1 1 113 113 ILE HD11 H 1 0.197 0.009 . 1 . . . A 113 ILE HD11 . 17554 1 1057 . 1 1 113 113 ILE HD12 H 1 0.197 0.009 . 1 . . . A 113 ILE HD11 . 17554 1 1058 . 1 1 113 113 ILE HD13 H 1 0.197 0.009 . 1 . . . A 113 ILE HD11 . 17554 1 1059 . 1 1 113 113 ILE CA C 13 66.239 0.062 . 1 . . . A 113 ILE CA . 17554 1 1060 . 1 1 113 113 ILE CB C 13 37.688 0.098 . 1 . . . A 113 ILE CB . 17554 1 1061 . 1 1 113 113 ILE CG1 C 13 30.707 0.082 . 1 . . . A 113 ILE CG1 . 17554 1 1062 . 1 1 113 113 ILE CG2 C 13 16.625 0.044 . 1 . . . A 113 ILE CG2 . 17554 1 1063 . 1 1 113 113 ILE CD1 C 13 13.439 0.032 . 1 . . . A 113 ILE CD1 . 17554 1 1064 . 1 1 113 113 ILE N N 15 122.469 0.042 . 1 . . . A 113 ILE N . 17554 1 1065 . 1 1 114 114 PHE H H 1 8.109 0.006 . 1 . . . A 114 PHE H . 17554 1 1066 . 1 1 114 114 PHE HA H 1 4.386 0.008 . 1 . . . A 114 PHE HA . 17554 1 1067 . 1 1 114 114 PHE HB2 H 1 3.308 0.005 . 2 . . . A 114 PHE HB2 . 17554 1 1068 . 1 1 114 114 PHE HB3 H 1 3.168 0.004 . 2 . . . A 114 PHE HB3 . 17554 1 1069 . 1 1 114 114 PHE CA C 13 60.111 0.080 . 1 . . . A 114 PHE CA . 17554 1 1070 . 1 1 114 114 PHE CB C 13 38.344 0.060 . 1 . . . A 114 PHE CB . 17554 1 1071 . 1 1 114 114 PHE N N 15 118.665 0.031 . 1 . . . A 114 PHE N . 17554 1 1072 . 1 1 115 115 SER H H 1 7.723 0.007 . 1 . . . A 115 SER H . 17554 1 1073 . 1 1 115 115 SER HA H 1 4.333 0.006 . 1 . . . A 115 SER HA . 17554 1 1074 . 1 1 115 115 SER HB2 H 1 3.783 0.002 . 2 . . . A 115 SER HB2 . 17554 1 1075 . 1 1 115 115 SER HB3 H 1 3.698 0.003 . 2 . . . A 115 SER HB3 . 17554 1 1076 . 1 1 115 115 SER CA C 13 58.593 0.076 . 1 . . . A 115 SER CA . 17554 1 1077 . 1 1 115 115 SER CB C 13 64.067 0.049 . 1 . . . A 115 SER CB . 17554 1 1078 . 1 1 115 115 SER N N 15 111.172 0.057 . 1 . . . A 115 SER N . 17554 1 1079 . 1 1 116 116 HIS H H 1 7.407 0.005 . 1 . . . A 116 HIS H . 17554 1 1080 . 1 1 116 116 HIS HA H 1 4.749 0.017 . 1 . . . A 116 HIS HA . 17554 1 1081 . 1 1 116 116 HIS HB2 H 1 2.651 0.007 . 2 . . . A 116 HIS HB2 . 17554 1 1082 . 1 1 116 116 HIS HB3 H 1 2.057 0.011 . 2 . . . A 116 HIS HB3 . 17554 1 1083 . 1 1 116 116 HIS CA C 13 54.476 0.049 . 1 . . . A 116 HIS CA . 17554 1 1084 . 1 1 116 116 HIS CB C 13 27.310 0.058 . 1 . . . A 116 HIS CB . 17554 1 1085 . 1 1 116 116 HIS N N 15 119.686 0.038 . 1 . . . A 116 HIS N . 17554 1 1086 . 1 1 117 117 PRO HA H 1 4.465 0.008 . 1 . . . A 117 PRO HA . 17554 1 1087 . 1 1 117 117 PRO HB2 H 1 2.240 0.008 . 2 . . . A 117 PRO HB2 . 17554 1 1088 . 1 1 117 117 PRO HB3 H 1 1.919 0.007 . 2 . . . A 117 PRO HB3 . 17554 1 1089 . 1 1 117 117 PRO HG2 H 1 1.912 0.008 . 2 . . . A 117 PRO HG2 . 17554 1 1090 . 1 1 117 117 PRO HG3 H 1 1.859 0.007 . 2 . . . A 117 PRO HG3 . 17554 1 1091 . 1 1 117 117 PRO HD2 H 1 3.412 0.004 . 2 . . . A 117 PRO HD2 . 17554 1 1092 . 1 1 117 117 PRO HD3 H 1 3.248 0.006 . 2 . . . A 117 PRO HD3 . 17554 1 1093 . 1 1 117 117 PRO CA C 13 64.170 0.093 . 1 . . . A 117 PRO CA . 17554 1 1094 . 1 1 117 117 PRO CB C 13 31.939 0.111 . 1 . . . A 117 PRO CB . 17554 1 1095 . 1 1 117 117 PRO CG C 13 27.260 0.061 . 1 . . . A 117 PRO CG . 17554 1 1096 . 1 1 117 117 PRO CD C 13 50.255 0.085 . 1 . . . A 117 PRO CD . 17554 1 1097 . 1 1 118 118 GLU H H 1 8.667 0.025 . 1 . . . A 118 GLU H . 17554 1 1098 . 1 1 118 118 GLU HA H 1 4.338 0.005 . 1 . . . A 118 GLU HA . 17554 1 1099 . 1 1 118 118 GLU HB2 H 1 2.001 0.006 . 2 . . . A 118 GLU HB2 . 17554 1 1100 . 1 1 118 118 GLU HB3 H 1 1.922 0.003 . 2 . . . A 118 GLU HB3 . 17554 1 1101 . 1 1 118 118 GLU HG2 H 1 2.216 0.007 . 2 . . . A 118 GLU HG2 . 17554 1 1102 . 1 1 118 118 GLU HG3 H 1 2.097 0.007 . 2 . . . A 118 GLU HG3 . 17554 1 1103 . 1 1 118 118 GLU CA C 13 56.440 0.068 . 1 . . . A 118 GLU CA . 17554 1 1104 . 1 1 118 118 GLU CB C 13 29.469 0.050 . 1 . . . A 118 GLU CB . 17554 1 1105 . 1 1 118 118 GLU CG C 13 36.086 0.025 . 1 . . . A 118 GLU CG . 17554 1 1106 . 1 1 118 118 GLU N N 15 119.986 0.039 . 1 . . . A 118 GLU N . 17554 1 1107 . 1 1 119 119 PHE H H 1 8.054 0.005 . 1 . . . A 119 PHE H . 17554 1 1108 . 1 1 119 119 PHE HA H 1 4.632 0.004 . 1 . . . A 119 PHE HA . 17554 1 1109 . 1 1 119 119 PHE HB2 H 1 3.137 0.008 . 2 . . . A 119 PHE HB2 . 17554 1 1110 . 1 1 119 119 PHE CA C 13 57.981 0.054 . 1 . . . A 119 PHE CA . 17554 1 1111 . 1 1 119 119 PHE CB C 13 39.805 0.044 . 1 . . . A 119 PHE CB . 17554 1 1112 . 1 1 119 119 PHE N N 15 121.581 0.038 . 1 . . . A 119 PHE N . 17554 1 1113 . 1 1 120 120 GLU H H 1 8.264 0.006 . 1 . . . A 120 GLU H . 17554 1 1114 . 1 1 120 120 GLU HA H 1 4.273 0.007 . 1 . . . A 120 GLU HA . 17554 1 1115 . 1 1 120 120 GLU HB2 H 1 2.005 0.009 . 2 . . . A 120 GLU HB2 . 17554 1 1116 . 1 1 120 120 GLU HB3 H 1 1.877 0.007 . 2 . . . A 120 GLU HB3 . 17554 1 1117 . 1 1 120 120 GLU HG2 H 1 2.203 0.006 . 2 . . . A 120 GLU HG2 . 17554 1 1118 . 1 1 120 120 GLU CA C 13 56.127 0.060 . 1 . . . A 120 GLU CA . 17554 1 1119 . 1 1 120 120 GLU CB C 13 30.789 0.114 . 1 . . . A 120 GLU CB . 17554 1 1120 . 1 1 120 120 GLU CG C 13 36.301 0.098 . 1 . . . A 120 GLU CG . 17554 1 1121 . 1 1 120 120 GLU N N 15 123.882 0.080 . 1 . . . A 120 GLU N . 17554 1 1122 . 1 1 121 121 GLU H H 1 8.398 0.006 . 1 . . . A 121 GLU H . 17554 1 1123 . 1 1 121 121 GLU HA H 1 4.213 0.005 . 1 . . . A 121 GLU HA . 17554 1 1124 . 1 1 121 121 GLU HB2 H 1 2.041 0.007 . 2 . . . A 121 GLU HB2 . 17554 1 1125 . 1 1 121 121 GLU HB3 H 1 1.924 0.005 . 2 . . . A 121 GLU HB3 . 17554 1 1126 . 1 1 121 121 GLU HG2 H 1 2.255 0.008 . 2 . . . A 121 GLU HG2 . 17554 1 1127 . 1 1 121 121 GLU CA C 13 56.634 0.063 . 1 . . . A 121 GLU CA . 17554 1 1128 . 1 1 121 121 GLU CB C 13 30.580 0.059 . 1 . . . A 121 GLU CB . 17554 1 1129 . 1 1 121 121 GLU CG C 13 36.331 0.083 . 1 . . . A 121 GLU CG . 17554 1 1130 . 1 1 121 121 GLU N N 15 122.504 0.037 . 1 . . . A 121 GLU N . 17554 1 1131 . 1 1 122 122 ASP H H 1 8.478 0.006 . 1 . . . A 122 ASP H . 17554 1 1132 . 1 1 122 122 ASP HA H 1 4.627 0.007 . 1 . . . A 122 ASP HA . 17554 1 1133 . 1 1 122 122 ASP HB2 H 1 2.728 0.008 . 2 . . . A 122 ASP HB2 . 17554 1 1134 . 1 1 122 122 ASP HB3 H 1 2.635 0.003 . 2 . . . A 122 ASP HB3 . 17554 1 1135 . 1 1 122 122 ASP CA C 13 54.443 0.077 . 1 . . . A 122 ASP CA . 17554 1 1136 . 1 1 122 122 ASP CB C 13 41.237 0.043 . 1 . . . A 122 ASP CB . 17554 1 1137 . 1 1 122 122 ASP N N 15 121.820 0.027 . 1 . . . A 122 ASP N . 17554 1 1138 . 1 1 123 123 SER H H 1 8.236 0.006 . 1 . . . A 123 SER H . 17554 1 1139 . 1 1 123 123 SER HA H 1 4.392 0.010 . 1 . . . A 123 SER HA . 17554 1 1140 . 1 1 123 123 SER HB2 H 1 3.819 0.007 . 2 . . . A 123 SER HB2 . 17554 1 1141 . 1 1 123 123 SER HB3 H 1 3.768 0.005 . 2 . . . A 123 SER HB3 . 17554 1 1142 . 1 1 123 123 SER CA C 13 58.605 0.060 . 1 . . . A 123 SER CA . 17554 1 1143 . 1 1 123 123 SER CB C 13 64.064 0.050 . 1 . . . A 123 SER CB . 17554 1 1144 . 1 1 123 123 SER N N 15 116.397 0.022 . 1 . . . A 123 SER N . 17554 1 1145 . 1 1 124 124 ASP H H 1 8.378 0.005 . 1 . . . A 124 ASP H . 17554 1 1146 . 1 1 124 124 ASP HA H 1 4.599 0.009 . 1 . . . A 124 ASP HA . 17554 1 1147 . 1 1 124 124 ASP HB2 H 1 2.582 0.005 . 2 . . . A 124 ASP HB2 . 17554 1 1148 . 1 1 124 124 ASP HB3 H 1 2.502 0.004 . 2 . . . A 124 ASP HB3 . 17554 1 1149 . 1 1 124 124 ASP CA C 13 54.501 0.076 . 1 . . . A 124 ASP CA . 17554 1 1150 . 1 1 124 124 ASP CB C 13 41.106 0.061 . 1 . . . A 124 ASP CB . 17554 1 1151 . 1 1 124 124 ASP N N 15 122.070 0.026 . 1 . . . A 124 ASP N . 17554 1 1152 . 1 1 125 125 PHE H H 1 8.049 0.006 . 1 . . . A 125 PHE H . 17554 1 1153 . 1 1 125 125 PHE HA H 1 4.623 0.005 . 1 . . . A 125 PHE HA . 17554 1 1154 . 1 1 125 125 PHE HB2 H 1 3.168 0.005 . 2 . . . A 125 PHE HB2 . 17554 1 1155 . 1 1 125 125 PHE HB3 H 1 3.001 0.007 . 2 . . . A 125 PHE HB3 . 17554 1 1156 . 1 1 125 125 PHE CA C 13 57.913 0.043 . 1 . . . A 125 PHE CA . 17554 1 1157 . 1 1 125 125 PHE CB C 13 39.601 0.076 . 1 . . . A 125 PHE CB . 17554 1 1158 . 1 1 125 125 PHE N N 15 120.274 0.072 . 1 . . . A 125 PHE N . 17554 1 1159 . 1 1 126 126 VAL H H 1 7.497 0.007 . 1 . . . A 126 VAL H . 17554 1 1160 . 1 1 126 126 VAL HA H 1 3.991 0.006 . 1 . . . A 126 VAL HA . 17554 1 1161 . 1 1 126 126 VAL HB H 1 2.030 0.003 . 1 . . . A 126 VAL HB . 17554 1 1162 . 1 1 126 126 VAL HG11 H 1 0.888 0.003 . 2 . . . A 126 VAL HG11 . 17554 1 1163 . 1 1 126 126 VAL HG12 H 1 0.888 0.003 . 2 . . . A 126 VAL HG11 . 17554 1 1164 . 1 1 126 126 VAL HG13 H 1 0.888 0.003 . 2 . . . A 126 VAL HG11 . 17554 1 1165 . 1 1 126 126 VAL HG21 H 1 0.865 0.003 . 2 . . . A 126 VAL HG21 . 17554 1 1166 . 1 1 126 126 VAL HG22 H 1 0.865 0.003 . 2 . . . A 126 VAL HG21 . 17554 1 1167 . 1 1 126 126 VAL HG23 H 1 0.865 0.003 . 2 . . . A 126 VAL HG21 . 17554 1 1168 . 1 1 126 126 VAL CA C 13 63.694 0.075 . 1 . . . A 126 VAL CA . 17554 1 1169 . 1 1 126 126 VAL CB C 13 33.457 0.066 . 1 . . . A 126 VAL CB . 17554 1 1170 . 1 1 126 126 VAL CG1 C 13 21.541 0.104 . 2 . . . A 126 VAL CG1 . 17554 1 1171 . 1 1 126 126 VAL CG2 C 13 20.337 0.008 . 2 . . . A 126 VAL CG2 . 17554 1 1172 . 1 1 126 126 VAL N N 15 125.502 0.041 . 1 . . . A 126 VAL N . 17554 1 stop_ save_