data_34605 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34605 _Entry.Title ; Solution structure of MLKL executioner domain in complex with a fragment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-02-23 _Entry.Accession_date 2021-02-23 _Entry.Last_release_date 2021-03-19 _Entry.Original_release_date 2021-03-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 M. Ruebbelke M. . . . 34605 2 M. Bauer M. . . . 34605 3 J. Hamilton J. . . . 34605 4 F. Binder F. . . . 34605 5 H. Nar H. . . . 34605 6 M. Zeeb M. . . . 34605 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'LIPID BINDING PROTEIN' . 34605 Necroptosis . 34605 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34605 spectral_peak_list 1 34605 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 514 34605 '15N chemical shifts' 159 34605 '1H chemical shifts' 1065 34605 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-12-28 2021-02-23 update BMRB 'update entry citation' 34605 1 . . 2021-09-17 2021-02-23 original author 'original release' 34605 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7NM5 'BMRB Entry Tracking System' 34605 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34605 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34672548 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Discovery and Structure-Based Optimization of Fragments Binding the Mixed Lineage Kinase Domain-like Protein Executioner Domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Med. Chem.' _Citation.Journal_name_full 'Journal of medicinal chemistry' _Citation.Journal_volume 64 _Citation.Journal_issue 21 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4804 _Citation.Journal_CSD 0353 _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 15629 _Citation.Page_last 15638 _Citation.Year 2021 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Ruebbelke M. . . . 34605 1 2 J. Hamilton J. . . . 34605 1 3 F. Binder F. . . . 34605 1 4 M. Bauer M. . . . 34605 1 5 J. King J. . . . 34605 1 6 H. Nar H. . . . 34605 1 7 M. Zeeb M. . . . 34605 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34605 _Assembly.ID 1 _Assembly.Name 'Mixed lineage kinase domain-like protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 unit_1 1 $entity_1 A A yes . . . . . . 34605 1 2 unit_2 2 $entity_UJ2 B A no . . . . . . 34605 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34605 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GSPGENLKHIITLGQVIHKR CEEMKYCKKQCRRLGHRVLG LIKPLEMLQDQGKRSVPSEK LTTAMNRFKAALEEANGEIE KFSNRSNICRFLTASQDKIL FKDVNRKLSDVWKELSLLLQ VEQRMPVSPISQGASWAQED QQDADEDRRAFQMLRRD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 157 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18184.961 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID hMLKL common 34605 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 -2 GLY . 34605 1 2 -1 SER . 34605 1 3 0 PRO . 34605 1 4 1 GLY . 34605 1 5 2 GLU . 34605 1 6 3 ASN . 34605 1 7 4 LEU . 34605 1 8 5 LYS . 34605 1 9 6 HIS . 34605 1 10 7 ILE . 34605 1 11 8 ILE . 34605 1 12 9 THR . 34605 1 13 10 LEU . 34605 1 14 11 GLY . 34605 1 15 12 GLN . 34605 1 16 13 VAL . 34605 1 17 14 ILE . 34605 1 18 15 HIS . 34605 1 19 16 LYS . 34605 1 20 17 ARG . 34605 1 21 18 CYS . 34605 1 22 19 GLU . 34605 1 23 20 GLU . 34605 1 24 21 MET . 34605 1 25 22 LYS . 34605 1 26 23 TYR . 34605 1 27 24 CYS . 34605 1 28 25 LYS . 34605 1 29 26 LYS . 34605 1 30 27 GLN . 34605 1 31 28 CYS . 34605 1 32 29 ARG . 34605 1 33 30 ARG . 34605 1 34 31 LEU . 34605 1 35 32 GLY . 34605 1 36 33 HIS . 34605 1 37 34 ARG . 34605 1 38 35 VAL . 34605 1 39 36 LEU . 34605 1 40 37 GLY . 34605 1 41 38 LEU . 34605 1 42 39 ILE . 34605 1 43 40 LYS . 34605 1 44 41 PRO . 34605 1 45 42 LEU . 34605 1 46 43 GLU . 34605 1 47 44 MET . 34605 1 48 45 LEU . 34605 1 49 46 GLN . 34605 1 50 47 ASP . 34605 1 51 48 GLN . 34605 1 52 49 GLY . 34605 1 53 50 LYS . 34605 1 54 51 ARG . 34605 1 55 52 SER . 34605 1 56 53 VAL . 34605 1 57 54 PRO . 34605 1 58 55 SER . 34605 1 59 56 GLU . 34605 1 60 57 LYS . 34605 1 61 58 LEU . 34605 1 62 59 THR . 34605 1 63 60 THR . 34605 1 64 61 ALA . 34605 1 65 62 MET . 34605 1 66 63 ASN . 34605 1 67 64 ARG . 34605 1 68 65 PHE . 34605 1 69 66 LYS . 34605 1 70 67 ALA . 34605 1 71 68 ALA . 34605 1 72 69 LEU . 34605 1 73 70 GLU . 34605 1 74 71 GLU . 34605 1 75 72 ALA . 34605 1 76 73 ASN . 34605 1 77 74 GLY . 34605 1 78 75 GLU . 34605 1 79 76 ILE . 34605 1 80 77 GLU . 34605 1 81 78 LYS . 34605 1 82 79 PHE . 34605 1 83 80 SER . 34605 1 84 81 ASN . 34605 1 85 82 ARG . 34605 1 86 83 SER . 34605 1 87 84 ASN . 34605 1 88 85 ILE . 34605 1 89 86 CYS . 34605 1 90 87 ARG . 34605 1 91 88 PHE . 34605 1 92 89 LEU . 34605 1 93 90 THR . 34605 1 94 91 ALA . 34605 1 95 92 SER . 34605 1 96 93 GLN . 34605 1 97 94 ASP . 34605 1 98 95 LYS . 34605 1 99 96 ILE . 34605 1 100 97 LEU . 34605 1 101 98 PHE . 34605 1 102 99 LYS . 34605 1 103 100 ASP . 34605 1 104 101 VAL . 34605 1 105 102 ASN . 34605 1 106 103 ARG . 34605 1 107 104 LYS . 34605 1 108 105 LEU . 34605 1 109 106 SER . 34605 1 110 107 ASP . 34605 1 111 108 VAL . 34605 1 112 109 TRP . 34605 1 113 110 LYS . 34605 1 114 111 GLU . 34605 1 115 112 LEU . 34605 1 116 113 SER . 34605 1 117 114 LEU . 34605 1 118 115 LEU . 34605 1 119 116 LEU . 34605 1 120 117 GLN . 34605 1 121 118 VAL . 34605 1 122 119 GLU . 34605 1 123 120 GLN . 34605 1 124 121 ARG . 34605 1 125 122 MET . 34605 1 126 123 PRO . 34605 1 127 124 VAL . 34605 1 128 125 SER . 34605 1 129 126 PRO . 34605 1 130 127 ILE . 34605 1 131 128 SER . 34605 1 132 129 GLN . 34605 1 133 130 GLY . 34605 1 134 131 ALA . 34605 1 135 132 SER . 34605 1 136 133 TRP . 34605 1 137 134 ALA . 34605 1 138 135 GLN . 34605 1 139 136 GLU . 34605 1 140 137 ASP . 34605 1 141 138 GLN . 34605 1 142 139 GLN . 34605 1 143 140 ASP . 34605 1 144 141 ALA . 34605 1 145 142 ASP . 34605 1 146 143 GLU . 34605 1 147 144 ASP . 34605 1 148 145 ARG . 34605 1 149 146 ARG . 34605 1 150 147 ALA . 34605 1 151 148 PHE . 34605 1 152 149 GLN . 34605 1 153 150 MET . 34605 1 154 151 LEU . 34605 1 155 152 ARG . 34605 1 156 153 ARG . 34605 1 157 154 ASP . 34605 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 . GLY 1 1 34605 1 . SER 2 2 34605 1 . PRO 3 3 34605 1 . GLY 4 4 34605 1 . GLU 5 5 34605 1 . ASN 6 6 34605 1 . LEU 7 7 34605 1 . LYS 8 8 34605 1 . HIS 9 9 34605 1 . ILE 10 10 34605 1 . ILE 11 11 34605 1 . THR 12 12 34605 1 . LEU 13 13 34605 1 . GLY 14 14 34605 1 . GLN 15 15 34605 1 . VAL 16 16 34605 1 . ILE 17 17 34605 1 . HIS 18 18 34605 1 . LYS 19 19 34605 1 . ARG 20 20 34605 1 . CYS 21 21 34605 1 . GLU 22 22 34605 1 . GLU 23 23 34605 1 . MET 24 24 34605 1 . LYS 25 25 34605 1 . TYR 26 26 34605 1 . CYS 27 27 34605 1 . LYS 28 28 34605 1 . LYS 29 29 34605 1 . GLN 30 30 34605 1 . CYS 31 31 34605 1 . ARG 32 32 34605 1 . ARG 33 33 34605 1 . LEU 34 34 34605 1 . GLY 35 35 34605 1 . HIS 36 36 34605 1 . ARG 37 37 34605 1 . VAL 38 38 34605 1 . LEU 39 39 34605 1 . GLY 40 40 34605 1 . LEU 41 41 34605 1 . ILE 42 42 34605 1 . LYS 43 43 34605 1 . PRO 44 44 34605 1 . LEU 45 45 34605 1 . GLU 46 46 34605 1 . MET 47 47 34605 1 . LEU 48 48 34605 1 . GLN 49 49 34605 1 . ASP 50 50 34605 1 . GLN 51 51 34605 1 . GLY 52 52 34605 1 . LYS 53 53 34605 1 . ARG 54 54 34605 1 . SER 55 55 34605 1 . VAL 56 56 34605 1 . PRO 57 57 34605 1 . SER 58 58 34605 1 . GLU 59 59 34605 1 . LYS 60 60 34605 1 . LEU 61 61 34605 1 . THR 62 62 34605 1 . THR 63 63 34605 1 . ALA 64 64 34605 1 . MET 65 65 34605 1 . ASN 66 66 34605 1 . ARG 67 67 34605 1 . PHE 68 68 34605 1 . LYS 69 69 34605 1 . ALA 70 70 34605 1 . ALA 71 71 34605 1 . LEU 72 72 34605 1 . GLU 73 73 34605 1 . GLU 74 74 34605 1 . ALA 75 75 34605 1 . ASN 76 76 34605 1 . GLY 77 77 34605 1 . GLU 78 78 34605 1 . ILE 79 79 34605 1 . GLU 80 80 34605 1 . LYS 81 81 34605 1 . PHE 82 82 34605 1 . SER 83 83 34605 1 . ASN 84 84 34605 1 . ARG 85 85 34605 1 . SER 86 86 34605 1 . ASN 87 87 34605 1 . ILE 88 88 34605 1 . CYS 89 89 34605 1 . ARG 90 90 34605 1 . PHE 91 91 34605 1 . LEU 92 92 34605 1 . THR 93 93 34605 1 . ALA 94 94 34605 1 . SER 95 95 34605 1 . GLN 96 96 34605 1 . ASP 97 97 34605 1 . LYS 98 98 34605 1 . ILE 99 99 34605 1 . LEU 100 100 34605 1 . PHE 101 101 34605 1 . LYS 102 102 34605 1 . ASP 103 103 34605 1 . VAL 104 104 34605 1 . ASN 105 105 34605 1 . ARG 106 106 34605 1 . LYS 107 107 34605 1 . LEU 108 108 34605 1 . SER 109 109 34605 1 . ASP 110 110 34605 1 . VAL 111 111 34605 1 . TRP 112 112 34605 1 . LYS 113 113 34605 1 . GLU 114 114 34605 1 . LEU 115 115 34605 1 . SER 116 116 34605 1 . LEU 117 117 34605 1 . LEU 118 118 34605 1 . LEU 119 119 34605 1 . GLN 120 120 34605 1 . VAL 121 121 34605 1 . GLU 122 122 34605 1 . GLN 123 123 34605 1 . ARG 124 124 34605 1 . MET 125 125 34605 1 . PRO 126 126 34605 1 . VAL 127 127 34605 1 . SER 128 128 34605 1 . PRO 129 129 34605 1 . ILE 130 130 34605 1 . SER 131 131 34605 1 . GLN 132 132 34605 1 . GLY 133 133 34605 1 . ALA 134 134 34605 1 . SER 135 135 34605 1 . TRP 136 136 34605 1 . ALA 137 137 34605 1 . GLN 138 138 34605 1 . GLU 139 139 34605 1 . ASP 140 140 34605 1 . GLN 141 141 34605 1 . GLN 142 142 34605 1 . ASP 143 143 34605 1 . ALA 144 144 34605 1 . ASP 145 145 34605 1 . GLU 146 146 34605 1 . ASP 147 147 34605 1 . ARG 148 148 34605 1 . ARG 149 149 34605 1 . ALA 150 150 34605 1 . PHE 151 151 34605 1 . GLN 152 152 34605 1 . MET 153 153 34605 1 . LEU 154 154 34605 1 . ARG 155 155 34605 1 . ARG 156 156 34605 1 . ASP 157 157 34605 1 stop_ save_ save_entity_UJ2 _Entity.Sf_category entity _Entity.Sf_framecode entity_UJ2 _Entity.Entry_ID 34605 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_UJ2 _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID UJ2 _Entity.Nonpolymer_comp_label $chem_comp_UJ2 _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 358.390 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 UJ2 . 34605 2 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 34605 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . MLKL . 34605 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 34605 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34605 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_UJ2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_UJ2 _Chem_comp.Entry_ID 34605 _Chem_comp.ID UJ2 _Chem_comp.Provenance . _Chem_comp.Name '2-[(~{S})-methoxy-(4-phenylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code UJ2 _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge . _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula 'C22 H18 N2 O3' _Chem_comp.Formula_weight 358.390 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34605 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '400 uM [U-13C; U-15N] MLKL executioner domain, 700 uM Cpd 7, 93% H2O/7% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'MLKL executioner domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 400 . . uM . . . . 34605 1 2 'Cpd 7' 'natural abundance' . . . . . . 700 . . uM . . . . 34605 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34605 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '430 uM [U-13C; U-15N] MLKL executioner domain, 700 uM Cpd 7, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MLKL executioner domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 430 . . uM . . . . 34605 2 2 'Cpd 7' 'natural abundance' . . . . . . 700 . . uM . . . . 34605 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 34605 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 170 . mM 34605 1 pH 7.5 . pH 34605 1 pressure 1 . atm 34605 1 temperature 298 . K 34605 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34605 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 170 . mM 34605 2 pH 7.1 . pH 34605 2 pressure 1 . atm 34605 2 temperature 298 . K 34605 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34605 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 3.98.9 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34605 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34605 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34605 _Software.ID 2 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34605 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34605 2 'peak picking' . 34605 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34605 _Software.ID 3 _Software.Type . _Software.Name TopSpin _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34605 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34605 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34605 _Software.ID 4 _Software.Type . _Software.Name TopSpin _Software.Version 3.6 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34605 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34605 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34605 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 34605 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 800 . . . 34605 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 34605 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34605 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34605 1 3 '3D HNccH TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34605 1 4 '3D HNCC TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34605 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34605 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34605 1 7 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34605 1 8 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34605 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34605 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34605 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34605 1 12 '3D filt. 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34605 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34605 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 34605 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 34605 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 34605 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34605 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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' . . . 34605 1 2 '3D HNCACB' . . . 34605 1 3 '3D HNccH TOCSY' . . . 34605 1 4 '3D HNCC TOCSY' . . . 34605 1 5 '3D 1H-15N NOESY' . . . 34605 1 6 '3D HCCH-TOCSY' . . . 34605 1 7 '2D 1H-13C HSQC aromatic' . . . 34605 1 8 '2D 1H-13C HSQC aliphatic' . . . 34605 1 9 '3D HCCH-TOCSY' . . . 34605 1 10 '3D 1H-13C NOESY aliphatic' . . . 34605 1 11 '3D 1H-13C NOESY aromatic' . . . 34605 1 12 '3D filt. 1H-13C NOESY aliphatic' . . . 34605 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 GLY HA2 H 1 3.961 0.000 . . . . . . A -2 GLY HA2 . 34605 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.961 0.000 . . . . . . A -2 GLY HA3 . 34605 1 3 . 1 . 1 1 1 GLY CA C 13 43.309 0.000 . . . . . . A -2 GLY CA . 34605 1 4 . 1 . 1 2 2 SER HA H 1 4.989 0.000 . . . . . . A -1 SER HA . 34605 1 5 . 1 . 1 2 2 SER HB2 H 1 4.039 0.000 . . . . . . A -1 SER HB2 . 34605 1 6 . 1 . 1 2 2 SER HB3 H 1 4.178 0.000 . . . . . . A -1 SER HB3 . 34605 1 7 . 1 . 1 2 2 SER CA C 13 56.841 0.000 . . . . . . A -1 SER CA . 34605 1 8 . 1 . 1 2 2 SER CB C 13 62.778 0.000 . . . . . . A -1 SER CB . 34605 1 9 . 1 . 1 3 3 PRO HA H 1 4.503 0.000 . . . . . . A 0 PRO HA . 34605 1 10 . 1 . 1 3 3 PRO CA C 13 65.461 0.000 . . . . . . A 0 PRO CA . 34605 1 11 . 1 . 1 4 4 GLY HA2 H 1 3.732 0.000 . . . . . . A 1 GLY HA2 . 34605 1 12 . 1 . 1 4 4 GLY HA3 H 1 3.887 0.000 . . . . . . A 1 GLY HA3 . 34605 1 13 . 1 . 1 4 4 GLY CA C 13 47.007 0.000 . . . . . . A 1 GLY CA . 34605 1 14 . 1 . 1 5 5 GLU H H 1 7.786 0.000 . . . . . . A 2 GLU H . 34605 1 15 . 1 . 1 5 5 GLU HA H 1 4.034 0.000 . . . . . . A 2 GLU HA . 34605 1 16 . 1 . 1 5 5 GLU HB2 H 1 2.173 0.000 . . . . . . A 2 GLU HB2 . 34605 1 17 . 1 . 1 5 5 GLU HB3 H 1 2.048 0.000 . . . . . . A 2 GLU HB3 . 34605 1 18 . 1 . 1 5 5 GLU HG2 H 1 2.264 0.000 . . . . . . A 2 GLU HG2 . 34605 1 19 . 1 . 1 5 5 GLU HG3 H 1 2.328 0.000 . . . . . . A 2 GLU HG3 . 34605 1 20 . 1 . 1 5 5 GLU CA C 13 58.936 0.000 . . . . . . A 2 GLU CA . 34605 1 21 . 1 . 1 5 5 GLU CB C 13 29.598 0.000 . . . . . . A 2 GLU CB . 34605 1 22 . 1 . 1 5 5 GLU CG C 13 36.823 0.000 . . . . . . A 2 GLU CG . 34605 1 23 . 1 . 1 5 5 GLU N N 15 122.844 0.000 . . . . . . A 2 GLU N . 34605 1 24 . 1 . 1 6 6 ASN H H 1 8.562 0.000 . . . . . . A 3 ASN H . 34605 1 25 . 1 . 1 6 6 ASN HA H 1 4.683 0.000 . . . . . . A 3 ASN HA . 34605 1 26 . 1 . 1 6 6 ASN HB2 H 1 3.111 0.000 . . . . . . A 3 ASN HB2 . 34605 1 27 . 1 . 1 6 6 ASN HB3 H 1 3.111 0.000 . . . . . . A 3 ASN HB3 . 34605 1 28 . 1 . 1 6 6 ASN CA C 13 55.435 0.000 . . . . . . A 3 ASN CA . 34605 1 29 . 1 . 1 6 6 ASN CB C 13 37.548 0.000 . . . . . . A 3 ASN CB . 34605 1 30 . 1 . 1 6 6 ASN N N 15 119.388 0.000 . . . . . . A 3 ASN N . 34605 1 31 . 1 . 1 7 7 LEU HA H 1 4.054 0.000 . . . . . . A 4 LEU HA . 34605 1 32 . 1 . 1 7 7 LEU HB2 H 1 1.554 0.000 . . . . . . A 4 LEU HB2 . 34605 1 33 . 1 . 1 7 7 LEU HB3 H 1 1.923 0.000 . . . . . . A 4 LEU HB3 . 34605 1 34 . 1 . 1 7 7 LEU HD11 H 1 0.719 0.000 . . . . . . A 4 LEU HD11 . 34605 1 35 . 1 . 1 7 7 LEU HD12 H 1 0.719 0.000 . . . . . . A 4 LEU HD12 . 34605 1 36 . 1 . 1 7 7 LEU HD13 H 1 0.719 0.000 . . . . . . A 4 LEU HD13 . 34605 1 37 . 1 . 1 7 7 LEU HD21 H 1 0.564 0.000 . . . . . . A 4 LEU HD21 . 34605 1 38 . 1 . 1 7 7 LEU HD22 H 1 0.564 0.000 . . . . . . A 4 LEU HD22 . 34605 1 39 . 1 . 1 7 7 LEU HD23 H 1 0.564 0.000 . . . . . . A 4 LEU HD23 . 34605 1 40 . 1 . 1 7 7 LEU CA C 13 57.901 0.000 . . . . . . A 4 LEU CA . 34605 1 41 . 1 . 1 7 7 LEU CB C 13 41.478 0.000 . . . . . . A 4 LEU CB . 34605 1 42 . 1 . 1 7 7 LEU CD1 C 13 23.887 0.000 . . . . . . A 4 LEU CD1 . 34605 1 43 . 1 . 1 7 7 LEU CD2 C 13 25.143 0.000 . . . . . . A 4 LEU CD2 . 34605 1 44 . 1 . 1 8 8 LYS H H 1 7.830 0.000 . . . . . . A 5 LYS H . 34605 1 45 . 1 . 1 8 8 LYS HA H 1 3.969 0.000 . . . . . . A 5 LYS HA . 34605 1 46 . 1 . 1 8 8 LYS HB2 H 1 1.946 0.000 . . . . . . A 5 LYS HB2 . 34605 1 47 . 1 . 1 8 8 LYS HB3 H 1 1.946 0.000 . . . . . . A 5 LYS HB3 . 34605 1 48 . 1 . 1 8 8 LYS HG2 H 1 1.535 0.000 . . . . . . A 5 LYS HG2 . 34605 1 49 . 1 . 1 8 8 LYS HG3 H 1 1.434 0.000 . . . . . . A 5 LYS HG3 . 34605 1 50 . 1 . 1 8 8 LYS HD2 H 1 1.683 0.000 . . . . . . A 5 LYS HD2 . 34605 1 51 . 1 . 1 8 8 LYS HD3 H 1 1.683 0.000 . . . . . . A 5 LYS HD3 . 34605 1 52 . 1 . 1 8 8 LYS HE2 H 1 2.956 0.000 . . . . . . A 5 LYS HE2 . 34605 1 53 . 1 . 1 8 8 LYS HE3 H 1 2.956 0.000 . . . . . . A 5 LYS HE3 . 34605 1 54 . 1 . 1 8 8 LYS CA C 13 59.699 0.000 . . . . . . A 5 LYS CA . 34605 1 55 . 1 . 1 8 8 LYS CB C 13 31.750 0.000 . . . . . . A 5 LYS CB . 34605 1 56 . 1 . 1 8 8 LYS CG C 13 24.973 0.000 . . . . . . A 5 LYS CG . 34605 1 57 . 1 . 1 8 8 LYS CD C 13 29.067 0.000 . . . . . . A 5 LYS CD . 34605 1 58 . 1 . 1 8 8 LYS CE C 13 41.794 0.000 . . . . . . A 5 LYS CE . 34605 1 59 . 1 . 1 8 8 LYS N N 15 118.764 0.000 . . . . . . A 5 LYS N . 34605 1 60 . 1 . 1 9 9 HIS H H 1 8.108 0.000 . . . . . . A 6 HIS H . 34605 1 61 . 1 . 1 9 9 HIS HA H 1 4.436 0.000 . . . . . . A 6 HIS HA . 34605 1 62 . 1 . 1 9 9 HIS HB2 H 1 3.328 0.000 . . . . . . A 6 HIS HB2 . 34605 1 63 . 1 . 1 9 9 HIS HB3 H 1 3.328 0.000 . . . . . . A 6 HIS HB3 . 34605 1 64 . 1 . 1 9 9 HIS HD2 H 1 6.954 0.000 . . . . . . A 6 HIS HD2 . 34605 1 65 . 1 . 1 9 9 HIS HE1 H 1 7.864 0.000 . . . . . . A 6 HIS HE1 . 34605 1 66 . 1 . 1 9 9 HIS CA C 13 59.605 0.000 . . . . . . A 6 HIS CA . 34605 1 67 . 1 . 1 9 9 HIS CB C 13 30.681 0.000 . . . . . . A 6 HIS CB . 34605 1 68 . 1 . 1 9 9 HIS CD2 C 13 118.982 0.000 . . . . . . A 6 HIS CD2 . 34605 1 69 . 1 . 1 9 9 HIS CE1 C 13 138.549 0.000 . . . . . . A 6 HIS CE1 . 34605 1 70 . 1 . 1 9 9 HIS N N 15 119.020 0.000 . . . . . . A 6 HIS N . 34605 1 71 . 1 . 1 10 10 ILE H H 1 7.754 0.000 . . . . . . A 7 ILE H . 34605 1 72 . 1 . 1 10 10 ILE HA H 1 3.469 0.000 . . . . . . A 7 ILE HA . 34605 1 73 . 1 . 1 10 10 ILE HB H 1 2.128 0.000 . . . . . . A 7 ILE HB . 34605 1 74 . 1 . 1 10 10 ILE HG12 H 1 0.878 0.000 . . . . . . A 7 ILE HG12 . 34605 1 75 . 1 . 1 10 10 ILE HG13 H 1 2.092 0.000 . . . . . . A 7 ILE HG13 . 34605 1 76 . 1 . 1 10 10 ILE HG21 H 1 0.905 0.000 . . . . . . A 7 ILE HG21 . 34605 1 77 . 1 . 1 10 10 ILE HG22 H 1 0.905 0.000 . . . . . . A 7 ILE HG22 . 34605 1 78 . 1 . 1 10 10 ILE HG23 H 1 0.905 0.000 . . . . . . A 7 ILE HG23 . 34605 1 79 . 1 . 1 10 10 ILE HD11 H 1 1.016 0.000 . . . . . . A 7 ILE HD11 . 34605 1 80 . 1 . 1 10 10 ILE HD12 H 1 1.016 0.000 . . . . . . A 7 ILE HD12 . 34605 1 81 . 1 . 1 10 10 ILE HD13 H 1 1.016 0.000 . . . . . . A 7 ILE HD13 . 34605 1 82 . 1 . 1 10 10 ILE CA C 13 65.872 0.000 . . . . . . A 7 ILE CA . 34605 1 83 . 1 . 1 10 10 ILE CB C 13 37.965 0.000 . . . . . . A 7 ILE CB . 34605 1 84 . 1 . 1 10 10 ILE CG1 C 13 30.762 0.000 . . . . . . A 7 ILE CG1 . 34605 1 85 . 1 . 1 10 10 ILE CG2 C 13 17.692 0.000 . . . . . . A 7 ILE CG2 . 34605 1 86 . 1 . 1 10 10 ILE CD1 C 13 14.305 0.000 . . . . . . A 7 ILE CD1 . 34605 1 87 . 1 . 1 10 10 ILE N N 15 121.003 0.000 . . . . . . A 7 ILE N . 34605 1 88 . 1 . 1 11 11 ILE H H 1 8.156 0.000 . . . . . . A 8 ILE H . 34605 1 89 . 1 . 1 11 11 ILE HA H 1 3.570 0.000 . . . . . . A 8 ILE HA . 34605 1 90 . 1 . 1 11 11 ILE HB H 1 1.865 0.000 . . . . . . A 8 ILE HB . 34605 1 91 . 1 . 1 11 11 ILE HG12 H 1 0.906 0.000 . . . . . . A 8 ILE HG12 . 34605 1 92 . 1 . 1 11 11 ILE HG13 H 1 1.749 0.000 . . . . . . A 8 ILE HG13 . 34605 1 93 . 1 . 1 11 11 ILE HG21 H 1 0.887 0.000 . . . . . . A 8 ILE HG21 . 34605 1 94 . 1 . 1 11 11 ILE HG22 H 1 0.887 0.000 . . . . . . A 8 ILE HG22 . 34605 1 95 . 1 . 1 11 11 ILE HG23 H 1 0.887 0.000 . . . . . . A 8 ILE HG23 . 34605 1 96 . 1 . 1 11 11 ILE HD11 H 1 0.703 0.000 . . . . . . A 8 ILE HD11 . 34605 1 97 . 1 . 1 11 11 ILE HD12 H 1 0.703 0.000 . . . . . . A 8 ILE HD12 . 34605 1 98 . 1 . 1 11 11 ILE HD13 H 1 0.703 0.000 . . . . . . A 8 ILE HD13 . 34605 1 99 . 1 . 1 11 11 ILE CA C 13 65.933 0.000 . . . . . . A 8 ILE CA . 34605 1 100 . 1 . 1 11 11 ILE CB C 13 38.606 0.000 . . . . . . A 8 ILE CB . 34605 1 101 . 1 . 1 11 11 ILE CG1 C 13 30.151 0.000 . . . . . . A 8 ILE CG1 . 34605 1 102 . 1 . 1 11 11 ILE CG2 C 13 17.453 0.000 . . . . . . A 8 ILE CG2 . 34605 1 103 . 1 . 1 11 11 ILE CD1 C 13 14.307 0.000 . . . . . . A 8 ILE CD1 . 34605 1 104 . 1 . 1 11 11 ILE N N 15 120.080 0.000 . . . . . . A 8 ILE N . 34605 1 105 . 1 . 1 12 12 THR H H 1 8.429 0.000 . . . . . . A 9 THR H . 34605 1 106 . 1 . 1 12 12 THR HA H 1 3.883 0.000 . . . . . . A 9 THR HA . 34605 1 107 . 1 . 1 12 12 THR HB H 1 4.252 0.000 . . . . . . A 9 THR HB . 34605 1 108 . 1 . 1 12 12 THR HG21 H 1 1.240 0.000 . . . . . . A 9 THR HG21 . 34605 1 109 . 1 . 1 12 12 THR HG22 H 1 1.240 0.000 . . . . . . A 9 THR HG22 . 34605 1 110 . 1 . 1 12 12 THR HG23 H 1 1.240 0.000 . . . . . . A 9 THR HG23 . 34605 1 111 . 1 . 1 12 12 THR CA C 13 66.670 0.000 . . . . . . A 9 THR CA . 34605 1 112 . 1 . 1 12 12 THR CB C 13 68.655 0.000 . . . . . . A 9 THR CB . 34605 1 113 . 1 . 1 12 12 THR CG2 C 13 21.579 0.000 . . . . . . A 9 THR CG2 . 34605 1 114 . 1 . 1 12 12 THR N N 15 115.791 0.000 . . . . . . A 9 THR N . 34605 1 115 . 1 . 1 13 13 LEU H H 1 8.037 0.000 . . . . . . A 10 LEU H . 34605 1 116 . 1 . 1 13 13 LEU HA H 1 4.079 0.000 . . . . . . A 10 LEU HA . 34605 1 117 . 1 . 1 13 13 LEU HB2 H 1 1.574 0.000 . . . . . . A 10 LEU HB2 . 34605 1 118 . 1 . 1 13 13 LEU HB3 H 1 1.754 0.000 . . . . . . A 10 LEU HB3 . 34605 1 119 . 1 . 1 13 13 LEU HG H 1 1.427 0.000 . . . . . . A 10 LEU HG . 34605 1 120 . 1 . 1 13 13 LEU HD11 H 1 0.845 0.000 . . . . . . A 10 LEU HD11 . 34605 1 121 . 1 . 1 13 13 LEU HD12 H 1 0.845 0.000 . . . . . . A 10 LEU HD12 . 34605 1 122 . 1 . 1 13 13 LEU HD13 H 1 0.845 0.000 . . . . . . A 10 LEU HD13 . 34605 1 123 . 1 . 1 13 13 LEU HD21 H 1 0.817 0.000 . . . . . . A 10 LEU HD21 . 34605 1 124 . 1 . 1 13 13 LEU HD22 H 1 0.817 0.000 . . . . . . A 10 LEU HD22 . 34605 1 125 . 1 . 1 13 13 LEU HD23 H 1 0.817 0.000 . . . . . . A 10 LEU HD23 . 34605 1 126 . 1 . 1 13 13 LEU CA C 13 57.901 0.000 . . . . . . A 10 LEU CA . 34605 1 127 . 1 . 1 13 13 LEU CB C 13 41.613 0.000 . . . . . . A 10 LEU CB . 34605 1 128 . 1 . 1 13 13 LEU CG C 13 27.223 0.000 . . . . . . A 10 LEU CG . 34605 1 129 . 1 . 1 13 13 LEU CD1 C 13 23.033 0.000 . . . . . . A 10 LEU CD1 . 34605 1 130 . 1 . 1 13 13 LEU CD2 C 13 26.583 0.000 . . . . . . A 10 LEU CD2 . 34605 1 131 . 1 . 1 13 13 LEU N N 15 122.579 0.000 . . . . . . A 10 LEU N . 34605 1 132 . 1 . 1 14 14 GLY H H 1 8.371 0.000 . . . . . . A 11 GLY H . 34605 1 133 . 1 . 1 14 14 GLY HA2 H 1 3.525 0.000 . . . . . . A 11 GLY HA2 . 34605 1 134 . 1 . 1 14 14 GLY HA3 H 1 3.615 0.000 . . . . . . A 11 GLY HA3 . 34605 1 135 . 1 . 1 14 14 GLY CA C 13 47.313 0.000 . . . . . . A 11 GLY CA . 34605 1 136 . 1 . 1 14 14 GLY N N 15 105.078 0.000 . . . . . . A 11 GLY N . 34605 1 137 . 1 . 1 15 15 GLN H H 1 8.177 0.000 . . . . . . A 12 GLN H . 34605 1 138 . 1 . 1 15 15 GLN HA H 1 3.987 0.000 . . . . . . A 12 GLN HA . 34605 1 139 . 1 . 1 15 15 GLN HB2 H 1 2.008 0.000 . . . . . . A 12 GLN HB2 . 34605 1 140 . 1 . 1 15 15 GLN HB3 H 1 2.458 0.000 . . . . . . A 12 GLN HB3 . 34605 1 141 . 1 . 1 15 15 GLN HG2 H 1 2.657 0.000 . . . . . . A 12 GLN HG2 . 34605 1 142 . 1 . 1 15 15 GLN HG3 H 1 2.320 0.000 . . . . . . A 12 GLN HG3 . 34605 1 143 . 1 . 1 15 15 GLN HE21 H 1 6.639 0.000 . . . . . . A 12 GLN HE21 . 34605 1 144 . 1 . 1 15 15 GLN HE22 H 1 7.258 0.000 . . . . . . A 12 GLN HE22 . 34605 1 145 . 1 . 1 15 15 GLN CA C 13 59.433 0.000 . . . . . . A 12 GLN CA . 34605 1 146 . 1 . 1 15 15 GLN CB C 13 27.297 0.000 . . . . . . A 12 GLN CB . 34605 1 147 . 1 . 1 15 15 GLN CG C 13 33.672 0.000 . . . . . . A 12 GLN CG . 34605 1 148 . 1 . 1 15 15 GLN N N 15 120.089 0.000 . . . . . . A 12 GLN N . 34605 1 149 . 1 . 1 15 15 GLN NE2 N 15 110.873 0.018 . . . . . . A 12 GLN NE2 . 34605 1 150 . 1 . 1 16 16 VAL H H 1 8.695 0.000 . . . . . . A 13 VAL H . 34605 1 151 . 1 . 1 16 16 VAL HA H 1 3.692 0.000 . . . . . . A 13 VAL HA . 34605 1 152 . 1 . 1 16 16 VAL HB H 1 2.370 0.000 . . . . . . A 13 VAL HB . 34605 1 153 . 1 . 1 16 16 VAL HG11 H 1 0.949 0.000 . . . . . . A 13 VAL HG11 . 34605 1 154 . 1 . 1 16 16 VAL HG12 H 1 0.949 0.000 . . . . . . A 13 VAL HG12 . 34605 1 155 . 1 . 1 16 16 VAL HG13 H 1 0.949 0.000 . . . . . . A 13 VAL HG13 . 34605 1 156 . 1 . 1 16 16 VAL HG21 H 1 1.082 0.000 . . . . . . A 13 VAL HG21 . 34605 1 157 . 1 . 1 16 16 VAL HG22 H 1 1.082 0.000 . . . . . . A 13 VAL HG22 . 34605 1 158 . 1 . 1 16 16 VAL HG23 H 1 1.082 0.000 . . . . . . A 13 VAL HG23 . 34605 1 159 . 1 . 1 16 16 VAL CA C 13 66.612 0.000 . . . . . . A 13 VAL CA . 34605 1 160 . 1 . 1 16 16 VAL CB C 13 31.332 0.000 . . . . . . A 13 VAL CB . 34605 1 161 . 1 . 1 16 16 VAL CG1 C 13 20.740 0.000 . . . . . . A 13 VAL CG1 . 34605 1 162 . 1 . 1 16 16 VAL CG2 C 13 23.196 0.000 . . . . . . A 13 VAL CG2 . 34605 1 163 . 1 . 1 16 16 VAL N N 15 123.283 0.000 . . . . . . A 13 VAL N . 34605 1 164 . 1 . 1 17 17 ILE H H 1 8.396 0.000 . . . . . . A 14 ILE H . 34605 1 165 . 1 . 1 17 17 ILE HA H 1 3.494 0.000 . . . . . . A 14 ILE HA . 34605 1 166 . 1 . 1 17 17 ILE HB H 1 2.038 0.000 . . . . . . A 14 ILE HB . 34605 1 167 . 1 . 1 17 17 ILE HG12 H 1 0.863 0.000 . . . . . . A 14 ILE HG12 . 34605 1 168 . 1 . 1 17 17 ILE HG13 H 1 1.801 0.000 . . . . . . A 14 ILE HG13 . 34605 1 169 . 1 . 1 17 17 ILE HG21 H 1 0.714 0.000 . . . . . . A 14 ILE HG21 . 34605 1 170 . 1 . 1 17 17 ILE HG22 H 1 0.714 0.000 . . . . . . A 14 ILE HG22 . 34605 1 171 . 1 . 1 17 17 ILE HG23 H 1 0.714 0.000 . . . . . . A 14 ILE HG23 . 34605 1 172 . 1 . 1 17 17 ILE HD11 H 1 0.851 0.000 . . . . . . A 14 ILE HD11 . 34605 1 173 . 1 . 1 17 17 ILE HD12 H 1 0.851 0.000 . . . . . . A 14 ILE HD12 . 34605 1 174 . 1 . 1 17 17 ILE HD13 H 1 0.851 0.000 . . . . . . A 14 ILE HD13 . 34605 1 175 . 1 . 1 17 17 ILE CA C 13 66.050 0.000 . . . . . . A 14 ILE CA . 34605 1 176 . 1 . 1 17 17 ILE CB C 13 37.998 0.000 . . . . . . A 14 ILE CB . 34605 1 177 . 1 . 1 17 17 ILE CG1 C 13 30.060 0.000 . . . . . . A 14 ILE CG1 . 34605 1 178 . 1 . 1 17 17 ILE CG2 C 13 16.832 0.000 . . . . . . A 14 ILE CG2 . 34605 1 179 . 1 . 1 17 17 ILE CD1 C 13 16.183 0.000 . . . . . . A 14 ILE CD1 . 34605 1 180 . 1 . 1 17 17 ILE N N 15 121.470 0.000 . . . . . . A 14 ILE N . 34605 1 181 . 1 . 1 18 18 HIS H H 1 8.177 0.000 . . . . . . A 15 HIS H . 34605 1 182 . 1 . 1 18 18 HIS HA H 1 3.928 0.000 . . . . . . A 15 HIS HA . 34605 1 183 . 1 . 1 18 18 HIS HB2 H 1 3.168 0.000 . . . . . . A 15 HIS HB2 . 34605 1 184 . 1 . 1 18 18 HIS HB3 H 1 3.168 0.000 . . . . . . A 15 HIS HB3 . 34605 1 185 . 1 . 1 18 18 HIS HD2 H 1 6.820 0.000 . . . . . . A 15 HIS HD2 . 34605 1 186 . 1 . 1 18 18 HIS HE1 H 1 7.635 0.000 . . . . . . A 15 HIS HE1 . 34605 1 187 . 1 . 1 18 18 HIS CA C 13 61.352 0.000 . . . . . . A 15 HIS CA . 34605 1 188 . 1 . 1 18 18 HIS CB C 13 29.718 0.000 . . . . . . A 15 HIS CB . 34605 1 189 . 1 . 1 18 18 HIS CD2 C 13 121.692 0.000 . . . . . . A 15 HIS CD2 . 34605 1 190 . 1 . 1 18 18 HIS CE1 C 13 137.842 0.000 . . . . . . A 15 HIS CE1 . 34605 1 191 . 1 . 1 18 18 HIS N N 15 119.096 0.000 . . . . . . A 15 HIS N . 34605 1 192 . 1 . 1 19 19 LYS H H 1 7.891 0.000 . . . . . . A 16 LYS H . 34605 1 193 . 1 . 1 19 19 LYS HA H 1 3.661 0.000 . . . . . . A 16 LYS HA . 34605 1 194 . 1 . 1 19 19 LYS HB2 H 1 1.935 0.000 . . . . . . A 16 LYS HB2 . 34605 1 195 . 1 . 1 19 19 LYS HB3 H 1 1.935 0.000 . . . . . . A 16 LYS HB3 . 34605 1 196 . 1 . 1 19 19 LYS HG2 H 1 1.374 0.000 . . . . . . A 16 LYS HG2 . 34605 1 197 . 1 . 1 19 19 LYS HG3 H 1 1.514 0.000 . . . . . . A 16 LYS HG3 . 34605 1 198 . 1 . 1 19 19 LYS HD2 H 1 1.653 0.000 . . . . . . A 16 LYS HD2 . 34605 1 199 . 1 . 1 19 19 LYS HD3 H 1 1.653 0.000 . . . . . . A 16 LYS HD3 . 34605 1 200 . 1 . 1 19 19 LYS HE2 H 1 2.964 0.000 . . . . . . A 16 LYS HE2 . 34605 1 201 . 1 . 1 19 19 LYS HE3 H 1 2.964 0.000 . . . . . . A 16 LYS HE3 . 34605 1 202 . 1 . 1 19 19 LYS CA C 13 59.538 0.000 . . . . . . A 16 LYS CA . 34605 1 203 . 1 . 1 19 19 LYS CB C 13 32.237 0.000 . . . . . . A 16 LYS CB . 34605 1 204 . 1 . 1 19 19 LYS CG C 13 24.712 0.000 . . . . . . A 16 LYS CG . 34605 1 205 . 1 . 1 19 19 LYS CD C 13 29.074 0.000 . . . . . . A 16 LYS CD . 34605 1 206 . 1 . 1 19 19 LYS CE C 13 41.804 0.000 . . . . . . A 16 LYS CE . 34605 1 207 . 1 . 1 19 19 LYS N N 15 118.790 0.000 . . . . . . A 16 LYS N . 34605 1 208 . 1 . 1 20 20 ARG H H 1 8.449 0.000 . . . . . . A 17 ARG H . 34605 1 209 . 1 . 1 20 20 ARG HA H 1 3.978 0.000 . . . . . . A 17 ARG HA . 34605 1 210 . 1 . 1 20 20 ARG HB2 H 1 1.975 0.000 . . . . . . A 17 ARG HB2 . 34605 1 211 . 1 . 1 20 20 ARG HB3 H 1 1.975 0.000 . . . . . . A 17 ARG HB3 . 34605 1 212 . 1 . 1 20 20 ARG HG2 H 1 1.705 0.000 . . . . . . A 17 ARG HG2 . 34605 1 213 . 1 . 1 20 20 ARG HG3 H 1 1.909 0.000 . . . . . . A 17 ARG HG3 . 34605 1 214 . 1 . 1 20 20 ARG HD2 H 1 3.226 0.000 . . . . . . A 17 ARG HD2 . 34605 1 215 . 1 . 1 20 20 ARG HD3 H 1 3.077 0.000 . . . . . . A 17 ARG HD3 . 34605 1 216 . 1 . 1 20 20 ARG CA C 13 59.345 0.000 . . . . . . A 17 ARG CA . 34605 1 217 . 1 . 1 20 20 ARG CB C 13 30.243 0.000 . . . . . . A 17 ARG CB . 34605 1 218 . 1 . 1 20 20 ARG CG C 13 27.599 0.000 . . . . . . A 17 ARG CG . 34605 1 219 . 1 . 1 20 20 ARG CD C 13 43.402 0.000 . . . . . . A 17 ARG CD . 34605 1 220 . 1 . 1 20 20 ARG N N 15 117.936 0.000 . . . . . . A 17 ARG N . 34605 1 221 . 1 . 1 21 21 CYS H H 1 8.574 0.000 . . . . . . A 18 CYS H . 34605 1 222 . 1 . 1 21 21 CYS HA H 1 3.931 0.000 . . . . . . A 18 CYS HA . 34605 1 223 . 1 . 1 21 21 CYS HB2 H 1 2.633 0.000 . . . . . . A 18 CYS HB2 . 34605 1 224 . 1 . 1 21 21 CYS HB3 H 1 3.112 0.000 . . . . . . A 18 CYS HB3 . 34605 1 225 . 1 . 1 21 21 CYS CA C 13 65.881 0.000 . . . . . . A 18 CYS CA . 34605 1 226 . 1 . 1 21 21 CYS CB C 13 27.419 0.000 . . . . . . A 18 CYS CB . 34605 1 227 . 1 . 1 21 21 CYS N N 15 118.588 0.000 . . . . . . A 18 CYS N . 34605 1 228 . 1 . 1 22 22 GLU H H 1 7.590 0.000 . . . . . . A 19 GLU H . 34605 1 229 . 1 . 1 22 22 GLU HA H 1 3.824 0.000 . . . . . . A 19 GLU HA . 34605 1 230 . 1 . 1 22 22 GLU HB2 H 1 1.941 0.000 . . . . . . A 19 GLU HB2 . 34605 1 231 . 1 . 1 22 22 GLU HB3 H 1 2.029 0.000 . . . . . . A 19 GLU HB3 . 34605 1 232 . 1 . 1 22 22 GLU HG2 H 1 1.949 0.000 . . . . . . A 19 GLU HG2 . 34605 1 233 . 1 . 1 22 22 GLU HG3 H 1 1.949 0.000 . . . . . . A 19 GLU HG3 . 34605 1 234 . 1 . 1 22 22 GLU CA C 13 58.389 0.000 . . . . . . A 19 GLU CA . 34605 1 235 . 1 . 1 22 22 GLU CB C 13 29.833 0.000 . . . . . . A 19 GLU CB . 34605 1 236 . 1 . 1 22 22 GLU CG C 13 36.284 0.000 . . . . . . A 19 GLU CG . 34605 1 237 . 1 . 1 22 22 GLU N N 15 118.019 0.000 . . . . . . A 19 GLU N . 34605 1 238 . 1 . 1 23 23 GLU H H 1 7.229 0.000 . . . . . . A 20 GLU H . 34605 1 239 . 1 . 1 23 23 GLU HA H 1 4.246 0.000 . . . . . . A 20 GLU HA . 34605 1 240 . 1 . 1 23 23 GLU HB2 H 1 1.973 0.000 . . . . . . A 20 GLU HB2 . 34605 1 241 . 1 . 1 23 23 GLU HB3 H 1 2.098 0.000 . . . . . . A 20 GLU HB3 . 34605 1 242 . 1 . 1 23 23 GLU HG2 H 1 2.232 0.000 . . . . . . A 20 GLU HG2 . 34605 1 243 . 1 . 1 23 23 GLU HG3 H 1 2.455 0.000 . . . . . . A 20 GLU HG3 . 34605 1 244 . 1 . 1 23 23 GLU CA C 13 55.729 0.000 . . . . . . A 20 GLU CA . 34605 1 245 . 1 . 1 23 23 GLU CB C 13 30.362 0.000 . . . . . . A 20 GLU CB . 34605 1 246 . 1 . 1 23 23 GLU CG C 13 36.181 0.000 . . . . . . A 20 GLU CG . 34605 1 247 . 1 . 1 23 23 GLU N N 15 115.438 0.000 . . . . . . A 20 GLU N . 34605 1 248 . 1 . 1 24 24 MET H H 1 6.999 0.000 . . . . . . A 21 MET H . 34605 1 249 . 1 . 1 24 24 MET HA H 1 4.288 0.000 . . . . . . A 21 MET HA . 34605 1 250 . 1 . 1 24 24 MET HB2 H 1 2.398 0.000 . . . . . . A 21 MET HB2 . 34605 1 251 . 1 . 1 24 24 MET HB3 H 1 2.457 0.000 . . . . . . A 21 MET HB3 . 34605 1 252 . 1 . 1 24 24 MET HG2 H 1 3.024 0.000 . . . . . . A 21 MET HG2 . 34605 1 253 . 1 . 1 24 24 MET HG3 H 1 2.945 0.000 . . . . . . A 21 MET HG3 . 34605 1 254 . 1 . 1 24 24 MET HE1 H 1 2.265 0.000 . . . . . . A 21 MET HE1 . 34605 1 255 . 1 . 1 24 24 MET HE2 H 1 2.265 0.000 . . . . . . A 21 MET HE2 . 34605 1 256 . 1 . 1 24 24 MET HE3 H 1 2.265 0.000 . . . . . . A 21 MET HE3 . 34605 1 257 . 1 . 1 24 24 MET CA C 13 56.529 0.000 . . . . . . A 21 MET CA . 34605 1 258 . 1 . 1 24 24 MET CB C 13 32.983 0.000 . . . . . . A 21 MET CB . 34605 1 259 . 1 . 1 24 24 MET CG C 13 33.090 0.000 . . . . . . A 21 MET CG . 34605 1 260 . 1 . 1 24 24 MET CE C 13 18.674 0.000 . . . . . . A 21 MET CE . 34605 1 261 . 1 . 1 24 24 MET N N 15 120.714 0.000 . . . . . . A 21 MET N . 34605 1 262 . 1 . 1 25 25 LYS H H 1 8.857 0.000 . . . . . . A 22 LYS H . 34605 1 263 . 1 . 1 25 25 LYS HA H 1 3.952 0.000 . . . . . . A 22 LYS HA . 34605 1 264 . 1 . 1 25 25 LYS HB2 H 1 1.292 0.000 . . . . . . A 22 LYS HB2 . 34605 1 265 . 1 . 1 25 25 LYS HB3 H 1 1.086 0.000 . . . . . . A 22 LYS HB3 . 34605 1 266 . 1 . 1 25 25 LYS HG2 H 1 1.373 0.000 . . . . . . A 22 LYS HG2 . 34605 1 267 . 1 . 1 25 25 LYS HG3 H 1 1.215 0.000 . . . . . . A 22 LYS HG3 . 34605 1 268 . 1 . 1 25 25 LYS HD2 H 1 1.603 0.000 . . . . . . A 22 LYS HD2 . 34605 1 269 . 1 . 1 25 25 LYS HD3 H 1 1.603 0.000 . . . . . . A 22 LYS HD3 . 34605 1 270 . 1 . 1 25 25 LYS HE2 H 1 3.008 0.000 . . . . . . A 22 LYS HE2 . 34605 1 271 . 1 . 1 25 25 LYS HE3 H 1 3.008 0.000 . . . . . . A 22 LYS HE3 . 34605 1 272 . 1 . 1 25 25 LYS CA C 13 56.938 0.000 . . . . . . A 22 LYS CA . 34605 1 273 . 1 . 1 25 25 LYS CB C 13 33.205 0.000 . . . . . . A 22 LYS CB . 34605 1 274 . 1 . 1 25 25 LYS CG C 13 25.118 0.000 . . . . . . A 22 LYS CG . 34605 1 275 . 1 . 1 25 25 LYS CD C 13 28.893 0.000 . . . . . . A 22 LYS CD . 34605 1 276 . 1 . 1 25 25 LYS CE C 13 41.840 0.000 . . . . . . A 22 LYS CE . 34605 1 277 . 1 . 1 25 25 LYS N N 15 120.614 0.000 . . . . . . A 22 LYS N . 34605 1 278 . 1 . 1 26 26 TYR H H 1 7.368 0.000 . . . . . . A 23 TYR H . 34605 1 279 . 1 . 1 26 26 TYR HA H 1 4.978 0.000 . . . . . . A 23 TYR HA . 34605 1 280 . 1 . 1 26 26 TYR HB2 H 1 3.259 0.000 . . . . . . A 23 TYR HB2 . 34605 1 281 . 1 . 1 26 26 TYR HB3 H 1 2.831 0.000 . . . . . . A 23 TYR HB3 . 34605 1 282 . 1 . 1 26 26 TYR HD1 H 1 7.267 0.000 . . . . . . A 23 TYR HD1 . 34605 1 283 . 1 . 1 26 26 TYR HD2 H 1 7.267 0.000 . . . . . . A 23 TYR HD2 . 34605 1 284 . 1 . 1 26 26 TYR HE1 H 1 6.940 0.000 . . . . . . A 23 TYR HE1 . 34605 1 285 . 1 . 1 26 26 TYR HE2 H 1 6.940 0.000 . . . . . . A 23 TYR HE2 . 34605 1 286 . 1 . 1 26 26 TYR CA C 13 55.053 0.000 . . . . . . A 23 TYR CA . 34605 1 287 . 1 . 1 26 26 TYR CB C 13 41.434 0.000 . . . . . . A 23 TYR CB . 34605 1 288 . 1 . 1 26 26 TYR CD1 C 13 134.040 0.000 . . . . . . A 23 TYR CD1 . 34605 1 289 . 1 . 1 26 26 TYR CD2 C 13 134.040 0.000 . . . . . . A 23 TYR CD2 . 34605 1 290 . 1 . 1 26 26 TYR CE1 C 13 118.296 0.000 . . . . . . A 23 TYR CE1 . 34605 1 291 . 1 . 1 26 26 TYR CE2 C 13 118.296 0.000 . . . . . . A 23 TYR CE2 . 34605 1 292 . 1 . 1 26 26 TYR N N 15 115.813 0.000 . . . . . . A 23 TYR N . 34605 1 293 . 1 . 1 27 27 CYS H H 1 8.785 0.000 . . . . . . A 24 CYS H . 34605 1 294 . 1 . 1 27 27 CYS HA H 1 3.758 0.000 . . . . . . A 24 CYS HA . 34605 1 295 . 1 . 1 27 27 CYS HB2 H 1 2.922 0.000 . . . . . . A 24 CYS HB2 . 34605 1 296 . 1 . 1 27 27 CYS HB3 H 1 2.836 0.000 . . . . . . A 24 CYS HB3 . 34605 1 297 . 1 . 1 27 27 CYS CA C 13 60.547 0.000 . . . . . . A 24 CYS CA . 34605 1 298 . 1 . 1 27 27 CYS CB C 13 25.726 0.000 . . . . . . A 24 CYS CB . 34605 1 299 . 1 . 1 27 27 CYS N N 15 114.050 0.000 . . . . . . A 24 CYS N . 34605 1 300 . 1 . 1 28 28 LYS H H 1 8.152 0.000 . . . . . . A 25 LYS H . 34605 1 301 . 1 . 1 28 28 LYS HA H 1 3.601 0.000 . . . . . . A 25 LYS HA . 34605 1 302 . 1 . 1 28 28 LYS HB2 H 1 1.692 0.000 . . . . . . A 25 LYS HB2 . 34605 1 303 . 1 . 1 28 28 LYS HB3 H 1 1.692 0.000 . . . . . . A 25 LYS HB3 . 34605 1 304 . 1 . 1 28 28 LYS HG2 H 1 1.206 0.000 . . . . . . A 25 LYS HG2 . 34605 1 305 . 1 . 1 28 28 LYS HG3 H 1 1.275 0.000 . . . . . . A 25 LYS HG3 . 34605 1 306 . 1 . 1 28 28 LYS HE2 H 1 2.958 0.000 . . . . . . A 25 LYS HE2 . 34605 1 307 . 1 . 1 28 28 LYS HE3 H 1 2.958 0.000 . . . . . . A 25 LYS HE3 . 34605 1 308 . 1 . 1 28 28 LYS CA C 13 60.750 0.000 . . . . . . A 25 LYS CA . 34605 1 309 . 1 . 1 28 28 LYS CB C 13 33.097 0.000 . . . . . . A 25 LYS CB . 34605 1 310 . 1 . 1 28 28 LYS CG C 13 25.805 0.000 . . . . . . A 25 LYS CG . 34605 1 311 . 1 . 1 28 28 LYS CE C 13 41.460 0.000 . . . . . . A 25 LYS CE . 34605 1 312 . 1 . 1 28 28 LYS N N 15 115.972 0.000 . . . . . . A 25 LYS N . 34605 1 313 . 1 . 1 29 29 LYS H H 1 10.658 0.000 . . . . . . A 26 LYS H . 34605 1 314 . 1 . 1 29 29 LYS HA H 1 4.015 0.000 . . . . . . A 26 LYS HA . 34605 1 315 . 1 . 1 29 29 LYS HB2 H 1 1.720 0.000 . . . . . . A 26 LYS HB2 . 34605 1 316 . 1 . 1 29 29 LYS HB3 H 1 2.183 0.000 . . . . . . A 26 LYS HB3 . 34605 1 317 . 1 . 1 29 29 LYS HG2 H 1 1.468 0.000 . . . . . . A 26 LYS HG2 . 34605 1 318 . 1 . 1 29 29 LYS HG3 H 1 1.556 0.000 . . . . . . A 26 LYS HG3 . 34605 1 319 . 1 . 1 29 29 LYS HD2 H 1 1.649 0.000 . . . . . . A 26 LYS HD2 . 34605 1 320 . 1 . 1 29 29 LYS HD3 H 1 1.738 0.000 . . . . . . A 26 LYS HD3 . 34605 1 321 . 1 . 1 29 29 LYS CA C 13 59.148 0.000 . . . . . . A 26 LYS CA . 34605 1 322 . 1 . 1 29 29 LYS CB C 13 30.143 0.000 . . . . . . A 26 LYS CB . 34605 1 323 . 1 . 1 29 29 LYS CG C 13 24.835 0.000 . . . . . . A 26 LYS CG . 34605 1 324 . 1 . 1 29 29 LYS CD C 13 27.693 0.000 . . . . . . A 26 LYS CD . 34605 1 325 . 1 . 1 29 29 LYS N N 15 120.970 0.000 . . . . . . A 26 LYS N . 34605 1 326 . 1 . 1 30 30 GLN H H 1 9.924 0.000 . . . . . . A 27 GLN H . 34605 1 327 . 1 . 1 30 30 GLN HA H 1 4.091 0.000 . . . . . . A 27 GLN HA . 34605 1 328 . 1 . 1 30 30 GLN HE21 H 1 9.355 0.000 . . . . . . A 27 GLN HE21 . 34605 1 329 . 1 . 1 30 30 GLN HE22 H 1 7.223 0.000 . . . . . . A 27 GLN HE22 . 34605 1 330 . 1 . 1 30 30 GLN CA C 13 59.508 0.000 . . . . . . A 27 GLN CA . 34605 1 331 . 1 . 1 30 30 GLN CB C 13 31.811 0.000 . . . . . . A 27 GLN CB . 34605 1 332 . 1 . 1 30 30 GLN N N 15 120.555 0.000 . . . . . . A 27 GLN N . 34605 1 333 . 1 . 1 30 30 GLN NE2 N 15 112.031 0.015 . . . . . . A 27 GLN NE2 . 34605 1 334 . 1 . 1 31 31 CYS H H 1 8.627 0.000 . . . . . . A 28 CYS H . 34605 1 335 . 1 . 1 31 31 CYS HA H 1 4.232 0.000 . . . . . . A 28 CYS HA . 34605 1 336 . 1 . 1 31 31 CYS HB2 H 1 2.958 0.000 . . . . . . A 28 CYS HB2 . 34605 1 337 . 1 . 1 31 31 CYS HB3 H 1 2.842 0.000 . . . . . . A 28 CYS HB3 . 34605 1 338 . 1 . 1 31 31 CYS CA C 13 64.491 0.000 . . . . . . A 28 CYS CA . 34605 1 339 . 1 . 1 31 31 CYS CB C 13 26.670 0.000 . . . . . . A 28 CYS CB . 34605 1 340 . 1 . 1 31 31 CYS N N 15 119.146 0.000 . . . . . . A 28 CYS N . 34605 1 341 . 1 . 1 32 32 ARG H H 1 8.784 0.000 . . . . . . A 29 ARG H . 34605 1 342 . 1 . 1 32 32 ARG HA H 1 3.887 0.000 . . . . . . A 29 ARG HA . 34605 1 343 . 1 . 1 32 32 ARG HB2 H 1 1.858 0.000 . . . . . . A 29 ARG HB2 . 34605 1 344 . 1 . 1 32 32 ARG HB3 H 1 1.506 0.000 . . . . . . A 29 ARG HB3 . 34605 1 345 . 1 . 1 32 32 ARG CA C 13 59.412 0.000 . . . . . . A 29 ARG CA . 34605 1 346 . 1 . 1 32 32 ARG CB C 13 29.075 0.000 . . . . . . A 29 ARG CB . 34605 1 347 . 1 . 1 32 32 ARG N N 15 119.210 0.000 . . . . . . A 29 ARG N . 34605 1 348 . 1 . 1 33 33 ARG H H 1 7.858 0.000 . . . . . . A 30 ARG H . 34605 1 349 . 1 . 1 33 33 ARG HA H 1 3.934 0.000 . . . . . . A 30 ARG HA . 34605 1 350 . 1 . 1 33 33 ARG HB2 H 1 1.839 0.000 . . . . . . A 30 ARG HB2 . 34605 1 351 . 1 . 1 33 33 ARG CA C 13 58.271 0.000 . . . . . . A 30 ARG CA . 34605 1 352 . 1 . 1 33 33 ARG CB C 13 28.686 0.000 . . . . . . A 30 ARG CB . 34605 1 353 . 1 . 1 33 33 ARG N N 15 119.937 0.000 . . . . . . A 30 ARG N . 34605 1 354 . 1 . 1 34 34 LEU H H 1 7.353 0.000 . . . . . . A 31 LEU H . 34605 1 355 . 1 . 1 34 34 LEU HA H 1 4.084 0.000 . . . . . . A 31 LEU HA . 34605 1 356 . 1 . 1 34 34 LEU HB2 H 1 1.777 0.000 . . . . . . A 31 LEU HB2 . 34605 1 357 . 1 . 1 34 34 LEU HB3 H 1 1.058 0.000 . . . . . . A 31 LEU HB3 . 34605 1 358 . 1 . 1 34 34 LEU HG H 1 0.982 0.000 . . . . . . A 31 LEU HG . 34605 1 359 . 1 . 1 34 34 LEU HD11 H 1 -0.242 0.000 . . . . . . A 31 LEU HD11 . 34605 1 360 . 1 . 1 34 34 LEU HD12 H 1 -0.242 0.000 . . . . . . A 31 LEU HD12 . 34605 1 361 . 1 . 1 34 34 LEU HD13 H 1 -0.242 0.000 . . . . . . A 31 LEU HD13 . 34605 1 362 . 1 . 1 34 34 LEU HD21 H 1 0.525 0.000 . . . . . . A 31 LEU HD21 . 34605 1 363 . 1 . 1 34 34 LEU HD22 H 1 0.525 0.000 . . . . . . A 31 LEU HD22 . 34605 1 364 . 1 . 1 34 34 LEU HD23 H 1 0.525 0.000 . . . . . . A 31 LEU HD23 . 34605 1 365 . 1 . 1 34 34 LEU CA C 13 58.254 0.000 . . . . . . A 31 LEU CA . 34605 1 366 . 1 . 1 34 34 LEU CB C 13 39.989 0.000 . . . . . . A 31 LEU CB . 34605 1 367 . 1 . 1 34 34 LEU CG C 13 27.007 0.000 . . . . . . A 31 LEU CG . 34605 1 368 . 1 . 1 34 34 LEU CD1 C 13 24.994 0.000 . . . . . . A 31 LEU CD1 . 34605 1 369 . 1 . 1 34 34 LEU CD2 C 13 22.492 0.000 . . . . . . A 31 LEU CD2 . 34605 1 370 . 1 . 1 34 34 LEU N N 15 120.755 0.000 . . . . . . A 31 LEU N . 34605 1 371 . 1 . 1 35 35 GLY H H 1 8.025 0.000 . . . . . . A 32 GLY H . 34605 1 372 . 1 . 1 35 35 GLY HA2 H 1 3.461 0.000 . . . . . . A 32 GLY HA2 . 34605 1 373 . 1 . 1 35 35 GLY HA3 H 1 4.108 0.000 . . . . . . A 32 GLY HA3 . 34605 1 374 . 1 . 1 35 35 GLY CA C 13 48.293 0.000 . . . . . . A 32 GLY CA . 34605 1 375 . 1 . 1 35 35 GLY N N 15 105.496 0.000 . . . . . . A 32 GLY N . 34605 1 376 . 1 . 1 36 36 HIS H H 1 8.453 0.000 . . . . . . A 33 HIS H . 34605 1 377 . 1 . 1 36 36 HIS HA H 1 4.251 0.000 . . . . . . A 33 HIS HA . 34605 1 378 . 1 . 1 36 36 HIS HB2 H 1 3.166 0.000 . . . . . . A 33 HIS HB2 . 34605 1 379 . 1 . 1 36 36 HIS HB3 H 1 3.213 0.000 . . . . . . A 33 HIS HB3 . 34605 1 380 . 1 . 1 36 36 HIS HD2 H 1 6.996 0.000 . . . . . . A 33 HIS HD2 . 34605 1 381 . 1 . 1 36 36 HIS HE1 H 1 7.910 0.000 . . . . . . A 33 HIS HE1 . 34605 1 382 . 1 . 1 36 36 HIS CA C 13 59.694 0.000 . . . . . . A 33 HIS CA . 34605 1 383 . 1 . 1 36 36 HIS CB C 13 30.640 0.000 . . . . . . A 33 HIS CB . 34605 1 384 . 1 . 1 36 36 HIS CD2 C 13 119.362 0.000 . . . . . . A 33 HIS CD2 . 34605 1 385 . 1 . 1 36 36 HIS CE1 C 13 137.999 0.000 . . . . . . A 33 HIS CE1 . 34605 1 386 . 1 . 1 36 36 HIS N N 15 120.964 0.000 . . . . . . A 33 HIS N . 34605 1 387 . 1 . 1 37 37 ARG H H 1 8.706 0.000 . . . . . . A 34 ARG H . 34605 1 388 . 1 . 1 37 37 ARG HA H 1 4.104 0.000 . . . . . . A 34 ARG HA . 34605 1 389 . 1 . 1 37 37 ARG CA C 13 59.497 0.000 . . . . . . A 34 ARG CA . 34605 1 390 . 1 . 1 37 37 ARG CB C 13 29.980 0.000 . . . . . . A 34 ARG CB . 34605 1 391 . 1 . 1 37 37 ARG N N 15 122.122 0.000 . . . . . . A 34 ARG N . 34605 1 392 . 1 . 1 38 38 VAL H H 1 8.565 0.000 . . . . . . A 35 VAL H . 34605 1 393 . 1 . 1 38 38 VAL HA H 1 3.421 0.000 . . . . . . A 35 VAL HA . 34605 1 394 . 1 . 1 38 38 VAL HB H 1 2.143 0.000 . . . . . . A 35 VAL HB . 34605 1 395 . 1 . 1 38 38 VAL HG11 H 1 0.875 0.000 . . . . . . A 35 VAL HG11 . 34605 1 396 . 1 . 1 38 38 VAL HG12 H 1 0.875 0.000 . . . . . . A 35 VAL HG12 . 34605 1 397 . 1 . 1 38 38 VAL HG13 H 1 0.875 0.000 . . . . . . A 35 VAL HG13 . 34605 1 398 . 1 . 1 38 38 VAL HG21 H 1 0.917 0.000 . . . . . . A 35 VAL HG21 . 34605 1 399 . 1 . 1 38 38 VAL HG22 H 1 0.917 0.000 . . . . . . A 35 VAL HG22 . 34605 1 400 . 1 . 1 38 38 VAL HG23 H 1 0.917 0.000 . . . . . . A 35 VAL HG23 . 34605 1 401 . 1 . 1 38 38 VAL CA C 13 67.969 0.000 . . . . . . A 35 VAL CA . 34605 1 402 . 1 . 1 38 38 VAL CB C 13 31.238 0.000 . . . . . . A 35 VAL CB . 34605 1 403 . 1 . 1 38 38 VAL CG1 C 13 23.832 0.000 . . . . . . A 35 VAL CG1 . 34605 1 404 . 1 . 1 38 38 VAL CG2 C 13 22.746 0.000 . . . . . . A 35 VAL CG2 . 34605 1 405 . 1 . 1 38 38 VAL N N 15 118.970 0.000 . . . . . . A 35 VAL N . 34605 1 406 . 1 . 1 39 39 LEU H H 1 8.089 0.000 . . . . . . A 36 LEU H . 34605 1 407 . 1 . 1 39 39 LEU HA H 1 3.894 0.000 . . . . . . A 36 LEU HA . 34605 1 408 . 1 . 1 39 39 LEU HB2 H 1 1.509 0.000 . . . . . . A 36 LEU HB2 . 34605 1 409 . 1 . 1 39 39 LEU HB3 H 1 1.435 0.000 . . . . . . A 36 LEU HB3 . 34605 1 410 . 1 . 1 39 39 LEU HG H 1 1.508 0.000 . . . . . . A 36 LEU HG . 34605 1 411 . 1 . 1 39 39 LEU HD11 H 1 0.307 0.000 . . . . . . A 36 LEU HD11 . 34605 1 412 . 1 . 1 39 39 LEU HD12 H 1 0.307 0.000 . . . . . . A 36 LEU HD12 . 34605 1 413 . 1 . 1 39 39 LEU HD13 H 1 0.307 0.000 . . . . . . A 36 LEU HD13 . 34605 1 414 . 1 . 1 39 39 LEU HD21 H 1 0.373 0.000 . . . . . . A 36 LEU HD21 . 34605 1 415 . 1 . 1 39 39 LEU HD22 H 1 0.373 0.000 . . . . . . A 36 LEU HD22 . 34605 1 416 . 1 . 1 39 39 LEU HD23 H 1 0.373 0.000 . . . . . . A 36 LEU HD23 . 34605 1 417 . 1 . 1 39 39 LEU CA C 13 58.007 0.000 . . . . . . A 36 LEU CA . 34605 1 418 . 1 . 1 39 39 LEU CB C 13 41.219 0.000 . . . . . . A 36 LEU CB . 34605 1 419 . 1 . 1 39 39 LEU CG C 13 26.053 0.000 . . . . . . A 36 LEU CG . 34605 1 420 . 1 . 1 39 39 LEU CD1 C 13 23.608 0.000 . . . . . . A 36 LEU CD1 . 34605 1 421 . 1 . 1 39 39 LEU CD2 C 13 22.757 0.000 . . . . . . A 36 LEU CD2 . 34605 1 422 . 1 . 1 39 39 LEU N N 15 118.732 0.000 . . . . . . A 36 LEU N . 34605 1 423 . 1 . 1 40 40 GLY H H 1 7.803 0.000 . . . . . . A 37 GLY H . 34605 1 424 . 1 . 1 40 40 GLY HA2 H 1 3.765 0.000 . . . . . . A 37 GLY HA2 . 34605 1 425 . 1 . 1 40 40 GLY HA3 H 1 3.787 0.000 . . . . . . A 37 GLY HA3 . 34605 1 426 . 1 . 1 40 40 GLY CA C 13 46.501 0.000 . . . . . . A 37 GLY CA . 34605 1 427 . 1 . 1 40 40 GLY N N 15 104.746 0.000 . . . . . . A 37 GLY N . 34605 1 428 . 1 . 1 41 41 LEU H H 1 7.707 0.000 . . . . . . A 38 LEU H . 34605 1 429 . 1 . 1 41 41 LEU HA H 1 3.580 0.000 . . . . . . A 38 LEU HA . 34605 1 430 . 1 . 1 41 41 LEU HB2 H 1 0.958 0.000 . . . . . . A 38 LEU HB2 . 34605 1 431 . 1 . 1 41 41 LEU HB3 H 1 1.847 0.000 . . . . . . A 38 LEU HB3 . 34605 1 432 . 1 . 1 41 41 LEU HG H 1 1.875 0.000 . . . . . . A 38 LEU HG . 34605 1 433 . 1 . 1 41 41 LEU HD11 H 1 -0.159 0.000 . . . . . . A 38 LEU HD11 . 34605 1 434 . 1 . 1 41 41 LEU HD12 H 1 -0.159 0.000 . . . . . . A 38 LEU HD12 . 34605 1 435 . 1 . 1 41 41 LEU HD13 H 1 -0.159 0.000 . . . . . . A 38 LEU HD13 . 34605 1 436 . 1 . 1 41 41 LEU HD21 H 1 0.828 0.000 . . . . . . A 38 LEU HD21 . 34605 1 437 . 1 . 1 41 41 LEU HD22 H 1 0.828 0.000 . . . . . . A 38 LEU HD22 . 34605 1 438 . 1 . 1 41 41 LEU HD23 H 1 0.828 0.000 . . . . . . A 38 LEU HD23 . 34605 1 439 . 1 . 1 41 41 LEU CA C 13 56.516 0.000 . . . . . . A 38 LEU CA . 34605 1 440 . 1 . 1 41 41 LEU CB C 13 41.155 0.000 . . . . . . A 38 LEU CB . 34605 1 441 . 1 . 1 41 41 LEU CG C 13 25.568 0.000 . . . . . . A 38 LEU CG . 34605 1 442 . 1 . 1 41 41 LEU CD1 C 13 20.556 0.000 . . . . . . A 38 LEU CD1 . 34605 1 443 . 1 . 1 41 41 LEU CD2 C 13 26.079 0.000 . . . . . . A 38 LEU CD2 . 34605 1 444 . 1 . 1 41 41 LEU N N 15 120.643 0.000 . . . . . . A 38 LEU N . 34605 1 445 . 1 . 1 42 42 ILE H H 1 7.616 0.000 . . . . . . A 39 ILE H . 34605 1 446 . 1 . 1 42 42 ILE HA H 1 4.289 0.000 . . . . . . A 39 ILE HA . 34605 1 447 . 1 . 1 42 42 ILE HB H 1 2.184 0.000 . . . . . . A 39 ILE HB . 34605 1 448 . 1 . 1 42 42 ILE HG12 H 1 1.514 0.000 . . . . . . A 39 ILE HG12 . 34605 1 449 . 1 . 1 42 42 ILE HG13 H 1 1.751 0.000 . . . . . . A 39 ILE HG13 . 34605 1 450 . 1 . 1 42 42 ILE HG21 H 1 1.105 0.000 . . . . . . A 39 ILE HG21 . 34605 1 451 . 1 . 1 42 42 ILE HG22 H 1 1.105 0.000 . . . . . . A 39 ILE HG22 . 34605 1 452 . 1 . 1 42 42 ILE HG23 H 1 1.105 0.000 . . . . . . A 39 ILE HG23 . 34605 1 453 . 1 . 1 42 42 ILE HD11 H 1 0.956 0.000 . . . . . . A 39 ILE HD11 . 34605 1 454 . 1 . 1 42 42 ILE HD12 H 1 0.956 0.000 . . . . . . A 39 ILE HD12 . 34605 1 455 . 1 . 1 42 42 ILE HD13 H 1 0.956 0.000 . . . . . . A 39 ILE HD13 . 34605 1 456 . 1 . 1 42 42 ILE CA C 13 62.163 0.000 . . . . . . A 39 ILE CA . 34605 1 457 . 1 . 1 42 42 ILE CB C 13 38.154 0.000 . . . . . . A 39 ILE CB . 34605 1 458 . 1 . 1 42 42 ILE CG1 C 13 27.736 0.000 . . . . . . A 39 ILE CG1 . 34605 1 459 . 1 . 1 42 42 ILE CG2 C 13 19.011 0.000 . . . . . . A 39 ILE CG2 . 34605 1 460 . 1 . 1 42 42 ILE CD1 C 13 13.935 0.000 . . . . . . A 39 ILE CD1 . 34605 1 461 . 1 . 1 42 42 ILE N N 15 108.813 0.000 . . . . . . A 39 ILE N . 34605 1 462 . 1 . 1 43 43 LYS H H 1 7.779 0.000 . . . . . . A 40 LYS H . 34605 1 463 . 1 . 1 43 43 LYS HA H 1 4.470 0.000 . . . . . . A 40 LYS HA . 34605 1 464 . 1 . 1 43 43 LYS HB2 H 1 1.958 0.000 . . . . . . A 40 LYS HB2 . 34605 1 465 . 1 . 1 43 43 LYS HB3 H 1 2.018 0.000 . . . . . . A 40 LYS HB3 . 34605 1 466 . 1 . 1 43 43 LYS HG2 H 1 1.511 0.000 . . . . . . A 40 LYS HG2 . 34605 1 467 . 1 . 1 43 43 LYS HG3 H 1 1.551 0.000 . . . . . . A 40 LYS HG3 . 34605 1 468 . 1 . 1 43 43 LYS HD2 H 1 1.704 0.000 . . . . . . A 40 LYS HD2 . 34605 1 469 . 1 . 1 43 43 LYS HD3 H 1 1.704 0.000 . . . . . . A 40 LYS HD3 . 34605 1 470 . 1 . 1 43 43 LYS HE2 H 1 2.916 0.000 . . . . . . A 40 LYS HE2 . 34605 1 471 . 1 . 1 43 43 LYS HE3 H 1 2.916 0.000 . . . . . . A 40 LYS HE3 . 34605 1 472 . 1 . 1 43 43 LYS CA C 13 60.602 0.000 . . . . . . A 40 LYS CA . 34605 1 473 . 1 . 1 43 43 LYS CB C 13 29.269 0.000 . . . . . . A 40 LYS CB . 34605 1 474 . 1 . 1 43 43 LYS CG C 13 24.792 0.000 . . . . . . A 40 LYS CG . 34605 1 475 . 1 . 1 43 43 LYS CD C 13 28.421 0.000 . . . . . . A 40 LYS CD . 34605 1 476 . 1 . 1 43 43 LYS CE C 13 41.710 0.000 . . . . . . A 40 LYS CE . 34605 1 477 . 1 . 1 43 43 LYS N N 15 123.298 0.000 . . . . . . A 40 LYS N . 34605 1 478 . 1 . 1 44 44 PRO HA H 1 4.423 0.000 . . . . . . A 41 PRO HA . 34605 1 479 . 1 . 1 44 44 PRO HB2 H 1 2.488 0.000 . . . . . . A 41 PRO HB2 . 34605 1 480 . 1 . 1 44 44 PRO HB3 H 1 1.844 0.000 . . . . . . A 41 PRO HB3 . 34605 1 481 . 1 . 1 44 44 PRO HG2 H 1 2.111 0.000 . . . . . . A 41 PRO HG2 . 34605 1 482 . 1 . 1 44 44 PRO HG3 H 1 2.225 0.000 . . . . . . A 41 PRO HG3 . 34605 1 483 . 1 . 1 44 44 PRO HD2 H 1 3.565 0.000 . . . . . . A 41 PRO HD2 . 34605 1 484 . 1 . 1 44 44 PRO HD3 H 1 3.848 0.000 . . . . . . A 41 PRO HD3 . 34605 1 485 . 1 . 1 44 44 PRO CA C 13 65.651 0.000 . . . . . . A 41 PRO CA . 34605 1 486 . 1 . 1 44 44 PRO CB C 13 31.342 0.000 . . . . . . A 41 PRO CB . 34605 1 487 . 1 . 1 44 44 PRO CG C 13 28.417 0.000 . . . . . . A 41 PRO CG . 34605 1 488 . 1 . 1 44 44 PRO CD C 13 50.423 0.000 . . . . . . A 41 PRO CD . 34605 1 489 . 1 . 1 45 45 LEU H H 1 7.088 0.000 . . . . . . A 42 LEU H . 34605 1 490 . 1 . 1 45 45 LEU HA H 1 4.065 0.000 . . . . . . A 42 LEU HA . 34605 1 491 . 1 . 1 45 45 LEU HB2 H 1 1.404 0.000 . . . . . . A 42 LEU HB2 . 34605 1 492 . 1 . 1 45 45 LEU HB3 H 1 2.243 0.000 . . . . . . A 42 LEU HB3 . 34605 1 493 . 1 . 1 45 45 LEU HG H 1 2.026 0.000 . . . . . . A 42 LEU HG . 34605 1 494 . 1 . 1 45 45 LEU HD11 H 1 1.001 0.000 . . . . . . A 42 LEU HD11 . 34605 1 495 . 1 . 1 45 45 LEU HD12 H 1 1.001 0.000 . . . . . . A 42 LEU HD12 . 34605 1 496 . 1 . 1 45 45 LEU HD13 H 1 1.001 0.000 . . . . . . A 42 LEU HD13 . 34605 1 497 . 1 . 1 45 45 LEU HD21 H 1 0.863 0.000 . . . . . . A 42 LEU HD21 . 34605 1 498 . 1 . 1 45 45 LEU HD22 H 1 0.863 0.000 . . . . . . A 42 LEU HD22 . 34605 1 499 . 1 . 1 45 45 LEU HD23 H 1 0.863 0.000 . . . . . . A 42 LEU HD23 . 34605 1 500 . 1 . 1 45 45 LEU CA C 13 57.246 0.000 . . . . . . A 42 LEU CA . 34605 1 501 . 1 . 1 45 45 LEU CB C 13 40.361 0.000 . . . . . . A 42 LEU CB . 34605 1 502 . 1 . 1 45 45 LEU CG C 13 27.206 0.000 . . . . . . A 42 LEU CG . 34605 1 503 . 1 . 1 45 45 LEU CD1 C 13 26.064 0.000 . . . . . . A 42 LEU CD1 . 34605 1 504 . 1 . 1 45 45 LEU CD2 C 13 23.269 0.000 . . . . . . A 42 LEU CD2 . 34605 1 505 . 1 . 1 45 45 LEU N N 15 114.659 0.000 . . . . . . A 42 LEU N . 34605 1 506 . 1 . 1 46 46 GLU H H 1 8.289 0.000 . . . . . . A 43 GLU H . 34605 1 507 . 1 . 1 46 46 GLU HA H 1 3.909 0.000 . . . . . . A 43 GLU HA . 34605 1 508 . 1 . 1 46 46 GLU HB2 H 1 2.298 0.000 . . . . . . A 43 GLU HB2 . 34605 1 509 . 1 . 1 46 46 GLU HB3 H 1 2.127 0.000 . . . . . . A 43 GLU HB3 . 34605 1 510 . 1 . 1 46 46 GLU HG2 H 1 2.382 0.000 . . . . . . A 43 GLU HG2 . 34605 1 511 . 1 . 1 46 46 GLU HG3 H 1 2.124 0.000 . . . . . . A 43 GLU HG3 . 34605 1 512 . 1 . 1 46 46 GLU CA C 13 59.566 0.000 . . . . . . A 43 GLU CA . 34605 1 513 . 1 . 1 46 46 GLU CB C 13 29.846 0.000 . . . . . . A 43 GLU CB . 34605 1 514 . 1 . 1 46 46 GLU CG C 13 37.730 0.000 . . . . . . A 43 GLU CG . 34605 1 515 . 1 . 1 46 46 GLU N N 15 119.603 0.000 . . . . . . A 43 GLU N . 34605 1 516 . 1 . 1 47 47 MET H H 1 7.718 0.000 . . . . . . A 44 MET H . 34605 1 517 . 1 . 1 47 47 MET HA H 1 4.310 0.000 . . . . . . A 44 MET HA . 34605 1 518 . 1 . 1 47 47 MET HB2 H 1 2.217 0.000 . . . . . . A 44 MET HB2 . 34605 1 519 . 1 . 1 47 47 MET HB3 H 1 2.217 0.000 . . . . . . A 44 MET HB3 . 34605 1 520 . 1 . 1 47 47 MET HG2 H 1 2.763 0.000 . . . . . . A 44 MET HG2 . 34605 1 521 . 1 . 1 47 47 MET HG3 H 1 2.621 0.000 . . . . . . A 44 MET HG3 . 34605 1 522 . 1 . 1 47 47 MET HE1 H 1 2.115 0.000 . . . . . . A 44 MET HE1 . 34605 1 523 . 1 . 1 47 47 MET HE2 H 1 2.115 0.000 . . . . . . A 44 MET HE2 . 34605 1 524 . 1 . 1 47 47 MET HE3 H 1 2.115 0.000 . . . . . . A 44 MET HE3 . 34605 1 525 . 1 . 1 47 47 MET CA C 13 57.485 0.000 . . . . . . A 44 MET CA . 34605 1 526 . 1 . 1 47 47 MET CB C 13 32.143 0.000 . . . . . . A 44 MET CB . 34605 1 527 . 1 . 1 47 47 MET CG C 13 32.040 0.000 . . . . . . A 44 MET CG . 34605 1 528 . 1 . 1 47 47 MET CE C 13 16.874 0.000 . . . . . . A 44 MET CE . 34605 1 529 . 1 . 1 47 47 MET N N 15 116.586 0.000 . . . . . . A 44 MET N . 34605 1 530 . 1 . 1 48 48 LEU H H 1 7.608 0.000 . . . . . . A 45 LEU H . 34605 1 531 . 1 . 1 48 48 LEU HA H 1 4.293 0.000 . . . . . . A 45 LEU HA . 34605 1 532 . 1 . 1 48 48 LEU HB2 H 1 1.853 0.000 . . . . . . A 45 LEU HB2 . 34605 1 533 . 1 . 1 48 48 LEU HB3 H 1 1.700 0.000 . . . . . . A 45 LEU HB3 . 34605 1 534 . 1 . 1 48 48 LEU HG H 1 1.885 0.000 . . . . . . A 45 LEU HG . 34605 1 535 . 1 . 1 48 48 LEU HD11 H 1 0.912 0.000 . . . . . . A 45 LEU HD11 . 34605 1 536 . 1 . 1 48 48 LEU HD12 H 1 0.912 0.000 . . . . . . A 45 LEU HD12 . 34605 1 537 . 1 . 1 48 48 LEU HD13 H 1 0.912 0.000 . . . . . . A 45 LEU HD13 . 34605 1 538 . 1 . 1 48 48 LEU HD21 H 1 0.902 0.000 . . . . . . A 45 LEU HD21 . 34605 1 539 . 1 . 1 48 48 LEU HD22 H 1 0.902 0.000 . . . . . . A 45 LEU HD22 . 34605 1 540 . 1 . 1 48 48 LEU HD23 H 1 0.902 0.000 . . . . . . A 45 LEU HD23 . 34605 1 541 . 1 . 1 48 48 LEU CA C 13 56.581 0.000 . . . . . . A 45 LEU CA . 34605 1 542 . 1 . 1 48 48 LEU CB C 13 42.074 0.000 . . . . . . A 45 LEU CB . 34605 1 543 . 1 . 1 48 48 LEU CG C 13 26.613 0.000 . . . . . . A 45 LEU CG . 34605 1 544 . 1 . 1 48 48 LEU CD1 C 13 26.020 0.000 . . . . . . A 45 LEU CD1 . 34605 1 545 . 1 . 1 48 48 LEU CD2 C 13 23.815 0.000 . . . . . . A 45 LEU CD2 . 34605 1 546 . 1 . 1 48 48 LEU N N 15 119.910 0.000 . . . . . . A 45 LEU N . 34605 1 547 . 1 . 1 49 49 GLN HA H 1 3.980 0.000 . . . . . . A 46 GLN HA . 34605 1 548 . 1 . 1 49 49 GLN HB2 H 1 2.234 0.000 . . . . . . A 46 GLN HB2 . 34605 1 549 . 1 . 1 49 49 GLN HB3 H 1 2.076 0.000 . . . . . . A 46 GLN HB3 . 34605 1 550 . 1 . 1 49 49 GLN HG2 H 1 2.304 0.000 . . . . . . A 46 GLN HG2 . 34605 1 551 . 1 . 1 49 49 GLN HG3 H 1 2.304 0.000 . . . . . . A 46 GLN HG3 . 34605 1 552 . 1 . 1 49 49 GLN HE21 H 1 6.843 0.000 . . . . . . A 46 GLN HE21 . 34605 1 553 . 1 . 1 49 49 GLN HE22 H 1 7.577 0.000 . . . . . . A 46 GLN HE22 . 34605 1 554 . 1 . 1 49 49 GLN CA C 13 58.412 0.000 . . . . . . A 46 GLN CA . 34605 1 555 . 1 . 1 49 49 GLN CB C 13 29.589 0.000 . . . . . . A 46 GLN CB . 34605 1 556 . 1 . 1 49 49 GLN CG C 13 34.342 0.000 . . . . . . A 46 GLN CG . 34605 1 557 . 1 . 1 49 49 GLN NE2 N 15 110.488 0.002 . . . . . . A 46 GLN NE2 . 34605 1 558 . 1 . 1 50 50 ASP H H 1 8.271 0.000 . . . . . . A 47 ASP H . 34605 1 559 . 1 . 1 50 50 ASP HA H 1 4.532 0.000 . . . . . . A 47 ASP HA . 34605 1 560 . 1 . 1 50 50 ASP HB2 H 1 2.728 0.000 . . . . . . A 47 ASP HB2 . 34605 1 561 . 1 . 1 50 50 ASP HB3 H 1 2.728 0.000 . . . . . . A 47 ASP HB3 . 34605 1 562 . 1 . 1 50 50 ASP CA C 13 55.868 0.000 . . . . . . A 47 ASP CA . 34605 1 563 . 1 . 1 50 50 ASP CB C 13 40.763 0.000 . . . . . . A 47 ASP CB . 34605 1 564 . 1 . 1 50 50 ASP N N 15 119.680 0.000 . . . . . . A 47 ASP N . 34605 1 565 . 1 . 1 51 51 GLN H H 1 8.139 0.000 . . . . . . A 48 GLN H . 34605 1 566 . 1 . 1 51 51 GLN HA H 1 4.217 0.000 . . . . . . A 48 GLN HA . 34605 1 567 . 1 . 1 51 51 GLN HB2 H 1 2.141 0.000 . . . . . . A 48 GLN HB2 . 34605 1 568 . 1 . 1 51 51 GLN HB3 H 1 2.236 0.000 . . . . . . A 48 GLN HB3 . 34605 1 569 . 1 . 1 51 51 GLN HG2 H 1 2.469 0.000 . . . . . . A 48 GLN HG2 . 34605 1 570 . 1 . 1 51 51 GLN HG3 H 1 2.375 0.000 . . . . . . A 48 GLN HG3 . 34605 1 571 . 1 . 1 51 51 GLN HE21 H 1 6.942 0.000 . . . . . . A 48 GLN HE21 . 34605 1 572 . 1 . 1 51 51 GLN HE22 H 1 7.623 0.000 . . . . . . A 48 GLN HE22 . 34605 1 573 . 1 . 1 51 51 GLN CA C 13 56.832 0.000 . . . . . . A 48 GLN CA . 34605 1 574 . 1 . 1 51 51 GLN CB C 13 28.883 0.000 . . . . . . A 48 GLN CB . 34605 1 575 . 1 . 1 51 51 GLN CG C 13 33.876 0.000 . . . . . . A 48 GLN CG . 34605 1 576 . 1 . 1 51 51 GLN N N 15 118.988 0.000 . . . . . . A 48 GLN N . 34605 1 577 . 1 . 1 51 51 GLN NE2 N 15 112.340 0.001 . . . . . . A 48 GLN NE2 . 34605 1 578 . 1 . 1 52 52 GLY H H 1 8.305 0.000 . . . . . . A 49 GLY H . 34605 1 579 . 1 . 1 52 52 GLY HA2 H 1 3.797 0.000 . . . . . . A 49 GLY HA2 . 34605 1 580 . 1 . 1 52 52 GLY HA3 H 1 3.797 0.000 . . . . . . A 49 GLY HA3 . 34605 1 581 . 1 . 1 52 52 GLY CA C 13 45.825 0.000 . . . . . . A 49 GLY CA . 34605 1 582 . 1 . 1 52 52 GLY N N 15 107.978 0.000 . . . . . . A 49 GLY N . 34605 1 583 . 1 . 1 53 53 LYS H H 1 8.076 0.000 . . . . . . A 50 LYS H . 34605 1 584 . 1 . 1 53 53 LYS HA H 1 4.216 0.000 . . . . . . A 50 LYS HA . 34605 1 585 . 1 . 1 53 53 LYS HB2 H 1 1.785 0.000 . . . . . . A 50 LYS HB2 . 34605 1 586 . 1 . 1 53 53 LYS HB3 H 1 1.842 0.000 . . . . . . A 50 LYS HB3 . 34605 1 587 . 1 . 1 53 53 LYS HG2 H 1 1.371 0.000 . . . . . . A 50 LYS HG2 . 34605 1 588 . 1 . 1 53 53 LYS HG3 H 1 1.443 0.000 . . . . . . A 50 LYS HG3 . 34605 1 589 . 1 . 1 53 53 LYS HD2 H 1 1.661 0.000 . . . . . . A 50 LYS HD2 . 34605 1 590 . 1 . 1 53 53 LYS HD3 H 1 1.661 0.000 . . . . . . A 50 LYS HD3 . 34605 1 591 . 1 . 1 53 53 LYS HE2 H 1 2.964 0.000 . . . . . . A 50 LYS HE2 . 34605 1 592 . 1 . 1 53 53 LYS HE3 H 1 2.964 0.000 . . . . . . A 50 LYS HE3 . 34605 1 593 . 1 . 1 53 53 LYS CA C 13 56.728 0.000 . . . . . . A 50 LYS CA . 34605 1 594 . 1 . 1 53 53 LYS CB C 13 32.591 0.000 . . . . . . A 50 LYS CB . 34605 1 595 . 1 . 1 53 53 LYS CG C 13 24.907 0.000 . . . . . . A 50 LYS CG . 34605 1 596 . 1 . 1 53 53 LYS CD C 13 28.914 0.000 . . . . . . A 50 LYS CD . 34605 1 597 . 1 . 1 53 53 LYS CE C 13 41.738 0.000 . . . . . . A 50 LYS CE . 34605 1 598 . 1 . 1 53 53 LYS N N 15 119.875 0.000 . . . . . . A 50 LYS N . 34605 1 599 . 1 . 1 54 54 ARG H H 1 8.188 0.000 . . . . . . A 51 ARG H . 34605 1 600 . 1 . 1 54 54 ARG HA H 1 4.385 0.000 . . . . . . A 51 ARG HA . 34605 1 601 . 1 . 1 54 54 ARG HB2 H 1 1.722 0.000 . . . . . . A 51 ARG HB2 . 34605 1 602 . 1 . 1 54 54 ARG HB3 H 1 1.851 0.000 . . . . . . A 51 ARG HB3 . 34605 1 603 . 1 . 1 54 54 ARG HG2 H 1 1.589 0.000 . . . . . . A 51 ARG HG2 . 34605 1 604 . 1 . 1 54 54 ARG HG3 H 1 1.560 0.000 . . . . . . A 51 ARG HG3 . 34605 1 605 . 1 . 1 54 54 ARG HD2 H 1 3.187 0.000 . . . . . . A 51 ARG HD2 . 34605 1 606 . 1 . 1 54 54 ARG HD3 H 1 3.124 0.000 . . . . . . A 51 ARG HD3 . 34605 1 607 . 1 . 1 54 54 ARG CA C 13 55.768 0.000 . . . . . . A 51 ARG CA . 34605 1 608 . 1 . 1 54 54 ARG CB C 13 30.718 0.000 . . . . . . A 51 ARG CB . 34605 1 609 . 1 . 1 54 54 ARG CG C 13 27.226 0.000 . . . . . . A 51 ARG CG . 34605 1 610 . 1 . 1 54 54 ARG CD C 13 43.252 0.000 . . . . . . A 51 ARG CD . 34605 1 611 . 1 . 1 54 54 ARG N N 15 120.542 0.000 . . . . . . A 51 ARG N . 34605 1 612 . 1 . 1 55 55 SER H H 1 7.986 0.000 . . . . . . A 52 SER H . 34605 1 613 . 1 . 1 55 55 SER HA H 1 4.480 0.000 . . . . . . A 52 SER HA . 34605 1 614 . 1 . 1 55 55 SER HB2 H 1 3.719 0.000 . . . . . . A 52 SER HB2 . 34605 1 615 . 1 . 1 55 55 SER HB3 H 1 3.799 0.000 . . . . . . A 52 SER HB3 . 34605 1 616 . 1 . 1 55 55 SER CA C 13 57.973 0.000 . . . . . . A 52 SER CA . 34605 1 617 . 1 . 1 55 55 SER CB C 13 64.501 0.000 . . . . . . A 52 SER CB . 34605 1 618 . 1 . 1 55 55 SER N N 15 116.711 0.000 . . . . . . A 52 SER N . 34605 1 619 . 1 . 1 56 56 VAL H H 1 8.416 0.000 . . . . . . A 53 VAL H . 34605 1 620 . 1 . 1 56 56 VAL HA H 1 4.028 0.000 . . . . . . A 53 VAL HA . 34605 1 621 . 1 . 1 56 56 VAL HB H 1 1.924 0.000 . . . . . . A 53 VAL HB . 34605 1 622 . 1 . 1 56 56 VAL HG11 H 1 0.875 0.000 . . . . . . A 53 VAL HG11 . 34605 1 623 . 1 . 1 56 56 VAL HG12 H 1 0.875 0.000 . . . . . . A 53 VAL HG12 . 34605 1 624 . 1 . 1 56 56 VAL HG13 H 1 0.875 0.000 . . . . . . A 53 VAL HG13 . 34605 1 625 . 1 . 1 56 56 VAL HG21 H 1 0.900 0.000 . . . . . . A 53 VAL HG21 . 34605 1 626 . 1 . 1 56 56 VAL HG22 H 1 0.900 0.000 . . . . . . A 53 VAL HG22 . 34605 1 627 . 1 . 1 56 56 VAL HG23 H 1 0.900 0.000 . . . . . . A 53 VAL HG23 . 34605 1 628 . 1 . 1 56 56 VAL CA C 13 60.054 0.000 . . . . . . A 53 VAL CA . 34605 1 629 . 1 . 1 56 56 VAL CB C 13 32.161 0.000 . . . . . . A 53 VAL CB . 34605 1 630 . 1 . 1 56 56 VAL CG1 C 13 20.777 0.000 . . . . . . A 53 VAL CG1 . 34605 1 631 . 1 . 1 56 56 VAL CG2 C 13 20.880 0.000 . . . . . . A 53 VAL CG2 . 34605 1 632 . 1 . 1 56 56 VAL N N 15 123.403 0.000 . . . . . . A 53 VAL N . 34605 1 633 . 1 . 1 57 57 PRO HA H 1 4.227 0.000 . . . . . . A 54 PRO HA . 34605 1 634 . 1 . 1 57 57 PRO HB2 H 1 1.814 0.000 . . . . . . A 54 PRO HB2 . 34605 1 635 . 1 . 1 57 57 PRO HB3 H 1 1.814 0.000 . . . . . . A 54 PRO HB3 . 34605 1 636 . 1 . 1 57 57 PRO CA C 13 62.339 0.000 . . . . . . A 54 PRO CA . 34605 1 637 . 1 . 1 57 57 PRO CB C 13 32.597 0.000 . . . . . . A 54 PRO CB . 34605 1 638 . 1 . 1 58 58 SER H H 1 8.934 0.000 . . . . . . A 55 SER H . 34605 1 639 . 1 . 1 58 58 SER HA H 1 4.374 0.000 . . . . . . A 55 SER HA . 34605 1 640 . 1 . 1 58 58 SER HB2 H 1 4.047 0.000 . . . . . . A 55 SER HB2 . 34605 1 641 . 1 . 1 58 58 SER HB3 H 1 4.340 0.000 . . . . . . A 55 SER HB3 . 34605 1 642 . 1 . 1 58 58 SER CA C 13 58.249 0.000 . . . . . . A 55 SER CA . 34605 1 643 . 1 . 1 58 58 SER CB C 13 64.187 0.000 . . . . . . A 55 SER CB . 34605 1 644 . 1 . 1 58 58 SER N N 15 119.607 0.000 . . . . . . A 55 SER N . 34605 1 645 . 1 . 1 59 59 GLU H H 1 9.100 0.000 . . . . . . A 56 GLU H . 34605 1 646 . 1 . 1 59 59 GLU HA H 1 4.217 0.000 . . . . . . A 56 GLU HA . 34605 1 647 . 1 . 1 59 59 GLU HB2 H 1 2.153 0.000 . . . . . . A 56 GLU HB2 . 34605 1 648 . 1 . 1 59 59 GLU HB3 H 1 2.105 0.000 . . . . . . A 56 GLU HB3 . 34605 1 649 . 1 . 1 59 59 GLU HG2 H 1 2.308 0.000 . . . . . . A 56 GLU HG2 . 34605 1 650 . 1 . 1 59 59 GLU HG3 H 1 2.415 0.000 . . . . . . A 56 GLU HG3 . 34605 1 651 . 1 . 1 59 59 GLU CA C 13 59.834 0.000 . . . . . . A 56 GLU CA . 34605 1 652 . 1 . 1 59 59 GLU CB C 13 29.304 0.000 . . . . . . A 56 GLU CB . 34605 1 653 . 1 . 1 59 59 GLU CG C 13 36.331 0.000 . . . . . . A 56 GLU CG . 34605 1 654 . 1 . 1 59 59 GLU N N 15 123.050 0.000 . . . . . . A 56 GLU N . 34605 1 655 . 1 . 1 60 60 LYS H H 1 8.488 0.000 . . . . . . A 57 LYS H . 34605 1 656 . 1 . 1 60 60 LYS HA H 1 4.046 0.000 . . . . . . A 57 LYS HA . 34605 1 657 . 1 . 1 60 60 LYS HB2 H 1 1.901 0.000 . . . . . . A 57 LYS HB2 . 34605 1 658 . 1 . 1 60 60 LYS HB3 H 1 1.791 0.000 . . . . . . A 57 LYS HB3 . 34605 1 659 . 1 . 1 60 60 LYS HG2 H 1 1.499 0.000 . . . . . . A 57 LYS HG2 . 34605 1 660 . 1 . 1 60 60 LYS HG3 H 1 1.675 0.000 . . . . . . A 57 LYS HG3 . 34605 1 661 . 1 . 1 60 60 LYS HD2 H 1 1.750 0.000 . . . . . . A 57 LYS HD2 . 34605 1 662 . 1 . 1 60 60 LYS HD3 H 1 1.750 0.000 . . . . . . A 57 LYS HD3 . 34605 1 663 . 1 . 1 60 60 LYS HE2 H 1 3.016 0.000 . . . . . . A 57 LYS HE2 . 34605 1 664 . 1 . 1 60 60 LYS HE3 H 1 3.016 0.000 . . . . . . A 57 LYS HE3 . 34605 1 665 . 1 . 1 60 60 LYS CA C 13 59.786 0.000 . . . . . . A 57 LYS CA . 34605 1 666 . 1 . 1 60 60 LYS CB C 13 32.505 0.000 . . . . . . A 57 LYS CB . 34605 1 667 . 1 . 1 60 60 LYS CG C 13 25.895 0.000 . . . . . . A 57 LYS CG . 34605 1 668 . 1 . 1 60 60 LYS CD C 13 29.184 0.000 . . . . . . A 57 LYS CD . 34605 1 669 . 1 . 1 60 60 LYS CE C 13 41.712 0.000 . . . . . . A 57 LYS CE . 34605 1 670 . 1 . 1 60 60 LYS N N 15 119.387 0.000 . . . . . . A 57 LYS N . 34605 1 671 . 1 . 1 61 61 LEU H H 1 8.544 0.000 . . . . . . A 58 LEU H . 34605 1 672 . 1 . 1 61 61 LEU HA H 1 4.203 0.000 . . . . . . A 58 LEU HA . 34605 1 673 . 1 . 1 61 61 LEU HB2 H 1 1.597 0.000 . . . . . . A 58 LEU HB2 . 34605 1 674 . 1 . 1 61 61 LEU HB3 H 1 2.083 0.000 . . . . . . A 58 LEU HB3 . 34605 1 675 . 1 . 1 61 61 LEU HD11 H 1 0.946 0.000 . . . . . . A 58 LEU HD11 . 34605 1 676 . 1 . 1 61 61 LEU HD12 H 1 0.946 0.000 . . . . . . A 58 LEU HD12 . 34605 1 677 . 1 . 1 61 61 LEU HD13 H 1 0.946 0.000 . . . . . . A 58 LEU HD13 . 34605 1 678 . 1 . 1 61 61 LEU HD21 H 1 0.884 0.000 . . . . . . A 58 LEU HD21 . 34605 1 679 . 1 . 1 61 61 LEU HD22 H 1 0.884 0.000 . . . . . . A 58 LEU HD22 . 34605 1 680 . 1 . 1 61 61 LEU HD23 H 1 0.884 0.000 . . . . . . A 58 LEU HD23 . 34605 1 681 . 1 . 1 61 61 LEU CA C 13 58.133 0.000 . . . . . . A 58 LEU CA . 34605 1 682 . 1 . 1 61 61 LEU CB C 13 40.508 0.000 . . . . . . A 58 LEU CB . 34605 1 683 . 1 . 1 61 61 LEU CD1 C 13 24.249 0.000 . . . . . . A 58 LEU CD1 . 34605 1 684 . 1 . 1 61 61 LEU CD2 C 13 27.077 0.000 . . . . . . A 58 LEU CD2 . 34605 1 685 . 1 . 1 61 61 LEU N N 15 123.239 0.000 . . . . . . A 58 LEU N . 34605 1 686 . 1 . 1 62 62 THR H H 1 8.883 0.000 . . . . . . A 59 THR H . 34605 1 687 . 1 . 1 62 62 THR HA H 1 4.303 0.000 . . . . . . A 59 THR HA . 34605 1 688 . 1 . 1 62 62 THR HB H 1 4.501 0.000 . . . . . . A 59 THR HB . 34605 1 689 . 1 . 1 62 62 THR HG21 H 1 1.218 0.000 . . . . . . A 59 THR HG21 . 34605 1 690 . 1 . 1 62 62 THR HG22 H 1 1.218 0.000 . . . . . . A 59 THR HG22 . 34605 1 691 . 1 . 1 62 62 THR HG23 H 1 1.218 0.000 . . . . . . A 59 THR HG23 . 34605 1 692 . 1 . 1 62 62 THR CA C 13 67.339 0.000 . . . . . . A 59 THR CA . 34605 1 693 . 1 . 1 62 62 THR CB C 13 68.834 0.000 . . . . . . A 59 THR CB . 34605 1 694 . 1 . 1 62 62 THR CG2 C 13 21.403 0.000 . . . . . . A 59 THR CG2 . 34605 1 695 . 1 . 1 62 62 THR N N 15 119.693 0.000 . . . . . . A 59 THR N . 34605 1 696 . 1 . 1 63 63 THR H H 1 8.639 0.000 . . . . . . A 60 THR H . 34605 1 697 . 1 . 1 63 63 THR HA H 1 4.033 0.000 . . . . . . A 60 THR HA . 34605 1 698 . 1 . 1 63 63 THR HB H 1 4.286 0.000 . . . . . . A 60 THR HB . 34605 1 699 . 1 . 1 63 63 THR HG21 H 1 1.287 0.000 . . . . . . A 60 THR HG21 . 34605 1 700 . 1 . 1 63 63 THR HG22 H 1 1.287 0.000 . . . . . . A 60 THR HG22 . 34605 1 701 . 1 . 1 63 63 THR HG23 H 1 1.287 0.000 . . . . . . A 60 THR HG23 . 34605 1 702 . 1 . 1 63 63 THR CA C 13 67.138 0.000 . . . . . . A 60 THR CA . 34605 1 703 . 1 . 1 63 63 THR CB C 13 68.615 0.000 . . . . . . A 60 THR CB . 34605 1 704 . 1 . 1 63 63 THR CG2 C 13 21.641 0.000 . . . . . . A 60 THR CG2 . 34605 1 705 . 1 . 1 63 63 THR N N 15 118.782 0.000 . . . . . . A 60 THR N . 34605 1 706 . 1 . 1 64 64 ALA H H 1 8.108 0.000 . . . . . . A 61 ALA H . 34605 1 707 . 1 . 1 64 64 ALA HA H 1 4.176 0.000 . . . . . . A 61 ALA HA . 34605 1 708 . 1 . 1 64 64 ALA HB1 H 1 1.463 0.000 . . . . . . A 61 ALA HB1 . 34605 1 709 . 1 . 1 64 64 ALA HB2 H 1 1.463 0.000 . . . . . . A 61 ALA HB2 . 34605 1 710 . 1 . 1 64 64 ALA HB3 H 1 1.463 0.000 . . . . . . A 61 ALA HB3 . 34605 1 711 . 1 . 1 64 64 ALA CA C 13 55.546 0.000 . . . . . . A 61 ALA CA . 34605 1 712 . 1 . 1 64 64 ALA CB C 13 18.744 0.000 . . . . . . A 61 ALA CB . 34605 1 713 . 1 . 1 64 64 ALA N N 15 124.781 0.000 . . . . . . A 61 ALA N . 34605 1 714 . 1 . 1 65 65 MET H H 1 9.175 0.000 . . . . . . A 62 MET H . 34605 1 715 . 1 . 1 65 65 MET HB2 H 1 2.285 0.000 . . . . . . A 62 MET HB2 . 34605 1 716 . 1 . 1 65 65 MET HB3 H 1 2.544 0.000 . . . . . . A 62 MET HB3 . 34605 1 717 . 1 . 1 65 65 MET HE1 H 1 1.738 0.000 . . . . . . A 62 MET HE1 . 34605 1 718 . 1 . 1 65 65 MET HE2 H 1 1.738 0.000 . . . . . . A 62 MET HE2 . 34605 1 719 . 1 . 1 65 65 MET HE3 H 1 1.738 0.000 . . . . . . A 62 MET HE3 . 34605 1 720 . 1 . 1 65 65 MET CB C 13 32.209 0.000 . . . . . . A 62 MET CB . 34605 1 721 . 1 . 1 65 65 MET CE C 13 17.106 0.000 . . . . . . A 62 MET CE . 34605 1 722 . 1 . 1 65 65 MET N N 15 119.727 0.000 . . . . . . A 62 MET N . 34605 1 723 . 1 . 1 66 66 ASN H H 1 8.713 0.000 . . . . . . A 63 ASN H . 34605 1 724 . 1 . 1 66 66 ASN HA H 1 4.806 0.000 . . . . . . A 63 ASN HA . 34605 1 725 . 1 . 1 66 66 ASN HB2 H 1 3.083 0.000 . . . . . . A 63 ASN HB2 . 34605 1 726 . 1 . 1 66 66 ASN HB3 H 1 2.795 0.000 . . . . . . A 63 ASN HB3 . 34605 1 727 . 1 . 1 66 66 ASN HD21 H 1 6.888 0.000 . . . . . . A 63 ASN HD21 . 34605 1 728 . 1 . 1 66 66 ASN HD22 H 1 7.538 0.000 . . . . . . A 63 ASN HD22 . 34605 1 729 . 1 . 1 66 66 ASN CA C 13 55.633 0.000 . . . . . . A 63 ASN CA . 34605 1 730 . 1 . 1 66 66 ASN CB C 13 37.457 0.000 . . . . . . A 63 ASN CB . 34605 1 731 . 1 . 1 66 66 ASN N N 15 119.924 0.000 . . . . . . A 63 ASN N . 34605 1 732 . 1 . 1 66 66 ASN ND2 N 15 111.413 0.002 . . . . . . A 63 ASN ND2 . 34605 1 733 . 1 . 1 67 67 ARG H H 1 8.368 0.000 . . . . . . A 64 ARG H . 34605 1 734 . 1 . 1 67 67 ARG HA H 1 4.263 0.000 . . . . . . A 64 ARG HA . 34605 1 735 . 1 . 1 67 67 ARG HB2 H 1 2.031 0.000 . . . . . . A 64 ARG HB2 . 34605 1 736 . 1 . 1 67 67 ARG HB3 H 1 2.182 0.000 . . . . . . A 64 ARG HB3 . 34605 1 737 . 1 . 1 67 67 ARG HG2 H 1 1.718 0.000 . . . . . . A 64 ARG HG2 . 34605 1 738 . 1 . 1 67 67 ARG HG3 H 1 2.025 0.000 . . . . . . A 64 ARG HG3 . 34605 1 739 . 1 . 1 67 67 ARG HD2 H 1 3.283 0.000 . . . . . . A 64 ARG HD2 . 34605 1 740 . 1 . 1 67 67 ARG HD3 H 1 3.283 0.000 . . . . . . A 64 ARG HD3 . 34605 1 741 . 1 . 1 67 67 ARG CA C 13 59.784 0.000 . . . . . . A 64 ARG CA . 34605 1 742 . 1 . 1 67 67 ARG CB C 13 30.303 0.000 . . . . . . A 64 ARG CB . 34605 1 743 . 1 . 1 67 67 ARG CG C 13 28.192 0.000 . . . . . . A 64 ARG CG . 34605 1 744 . 1 . 1 67 67 ARG CD C 13 43.771 0.000 . . . . . . A 64 ARG CD . 34605 1 745 . 1 . 1 67 67 ARG N N 15 123.463 0.000 . . . . . . A 64 ARG N . 34605 1 746 . 1 . 1 68 68 PHE H H 1 8.539 0.000 . . . . . . A 65 PHE H . 34605 1 747 . 1 . 1 68 68 PHE HA H 1 4.530 0.000 . . . . . . A 65 PHE HA . 34605 1 748 . 1 . 1 68 68 PHE HB2 H 1 3.287 0.000 . . . . . . A 65 PHE HB2 . 34605 1 749 . 1 . 1 68 68 PHE HB3 H 1 3.579 0.000 . . . . . . A 65 PHE HB3 . 34605 1 750 . 1 . 1 68 68 PHE HD1 H 1 7.273 0.000 . . . . . . A 65 PHE HD1 . 34605 1 751 . 1 . 1 68 68 PHE HD2 H 1 7.273 0.000 . . . . . . A 65 PHE HD2 . 34605 1 752 . 1 . 1 68 68 PHE CA C 13 60.420 0.000 . . . . . . A 65 PHE CA . 34605 1 753 . 1 . 1 68 68 PHE CB C 13 39.262 0.000 . . . . . . A 65 PHE CB . 34605 1 754 . 1 . 1 68 68 PHE CD1 C 13 131.196 0.000 . . . . . . A 65 PHE CD1 . 34605 1 755 . 1 . 1 68 68 PHE CD2 C 13 131.196 0.000 . . . . . . A 65 PHE CD2 . 34605 1 756 . 1 . 1 68 68 PHE N N 15 123.476 0.000 . . . . . . A 65 PHE N . 34605 1 757 . 1 . 1 69 69 LYS H H 1 8.836 0.000 . . . . . . A 66 LYS H . 34605 1 758 . 1 . 1 69 69 LYS HA H 1 3.603 0.000 . . . . . . A 66 LYS HA . 34605 1 759 . 1 . 1 69 69 LYS HB2 H 1 1.883 0.000 . . . . . . A 66 LYS HB2 . 34605 1 760 . 1 . 1 69 69 LYS HB3 H 1 2.179 0.000 . . . . . . A 66 LYS HB3 . 34605 1 761 . 1 . 1 69 69 LYS HG2 H 1 1.275 0.000 . . . . . . A 66 LYS HG2 . 34605 1 762 . 1 . 1 69 69 LYS HG3 H 1 1.413 0.000 . . . . . . A 66 LYS HG3 . 34605 1 763 . 1 . 1 69 69 LYS HD2 H 1 1.731 0.000 . . . . . . A 66 LYS HD2 . 34605 1 764 . 1 . 1 69 69 LYS HE2 H 1 2.934 0.000 . . . . . . A 66 LYS HE2 . 34605 1 765 . 1 . 1 69 69 LYS HE3 H 1 2.934 0.000 . . . . . . A 66 LYS HE3 . 34605 1 766 . 1 . 1 69 69 LYS CA C 13 60.649 0.000 . . . . . . A 66 LYS CA . 34605 1 767 . 1 . 1 69 69 LYS CB C 13 32.418 0.000 . . . . . . A 66 LYS CB . 34605 1 768 . 1 . 1 69 69 LYS CG C 13 24.863 0.000 . . . . . . A 66 LYS CG . 34605 1 769 . 1 . 1 69 69 LYS CD C 13 28.978 0.000 . . . . . . A 66 LYS CD . 34605 1 770 . 1 . 1 69 69 LYS CE C 13 41.785 0.000 . . . . . . A 66 LYS CE . 34605 1 771 . 1 . 1 69 69 LYS N N 15 120.315 0.000 . . . . . . A 66 LYS N . 34605 1 772 . 1 . 1 70 70 ALA H H 1 8.073 0.000 . . . . . . A 67 ALA H . 34605 1 773 . 1 . 1 70 70 ALA HA H 1 4.279 0.000 . . . . . . A 67 ALA HA . 34605 1 774 . 1 . 1 70 70 ALA HB1 H 1 1.562 0.000 . . . . . . A 67 ALA HB1 . 34605 1 775 . 1 . 1 70 70 ALA HB2 H 1 1.562 0.000 . . . . . . A 67 ALA HB2 . 34605 1 776 . 1 . 1 70 70 ALA HB3 H 1 1.562 0.000 . . . . . . A 67 ALA HB3 . 34605 1 777 . 1 . 1 70 70 ALA CA C 13 54.950 0.000 . . . . . . A 67 ALA CA . 34605 1 778 . 1 . 1 70 70 ALA CB C 13 17.712 0.000 . . . . . . A 67 ALA CB . 34605 1 779 . 1 . 1 70 70 ALA N N 15 118.948 0.000 . . . . . . A 67 ALA N . 34605 1 780 . 1 . 1 71 71 ALA H H 1 8.010 0.000 . . . . . . A 68 ALA H . 34605 1 781 . 1 . 1 71 71 ALA HA H 1 4.215 0.000 . . . . . . A 68 ALA HA . 34605 1 782 . 1 . 1 71 71 ALA HB1 H 1 1.571 0.000 . . . . . . A 68 ALA HB1 . 34605 1 783 . 1 . 1 71 71 ALA HB2 H 1 1.571 0.000 . . . . . . A 68 ALA HB2 . 34605 1 784 . 1 . 1 71 71 ALA HB3 H 1 1.571 0.000 . . . . . . A 68 ALA HB3 . 34605 1 785 . 1 . 1 71 71 ALA CA C 13 55.211 0.000 . . . . . . A 68 ALA CA . 34605 1 786 . 1 . 1 71 71 ALA CB C 13 17.596 0.000 . . . . . . A 68 ALA CB . 34605 1 787 . 1 . 1 71 71 ALA N N 15 122.476 0.000 . . . . . . A 68 ALA N . 34605 1 788 . 1 . 1 72 72 LEU H H 1 8.150 0.000 . . . . . . A 69 LEU H . 34605 1 789 . 1 . 1 72 72 LEU HA H 1 3.854 0.000 . . . . . . A 69 LEU HA . 34605 1 790 . 1 . 1 72 72 LEU HB2 H 1 1.063 0.000 . . . . . . A 69 LEU HB2 . 34605 1 791 . 1 . 1 72 72 LEU HB3 H 1 2.022 0.000 . . . . . . A 69 LEU HB3 . 34605 1 792 . 1 . 1 72 72 LEU HG H 1 1.181 0.000 . . . . . . A 69 LEU HG . 34605 1 793 . 1 . 1 72 72 LEU HD11 H 1 0.510 0.000 . . . . . . A 69 LEU HD11 . 34605 1 794 . 1 . 1 72 72 LEU HD12 H 1 0.510 0.000 . . . . . . A 69 LEU HD12 . 34605 1 795 . 1 . 1 72 72 LEU HD13 H 1 0.510 0.000 . . . . . . A 69 LEU HD13 . 34605 1 796 . 1 . 1 72 72 LEU HD21 H 1 0.330 0.000 . . . . . . A 69 LEU HD21 . 34605 1 797 . 1 . 1 72 72 LEU HD22 H 1 0.330 0.000 . . . . . . A 69 LEU HD22 . 34605 1 798 . 1 . 1 72 72 LEU HD23 H 1 0.330 0.000 . . . . . . A 69 LEU HD23 . 34605 1 799 . 1 . 1 72 72 LEU CA C 13 57.617 0.000 . . . . . . A 69 LEU CA . 34605 1 800 . 1 . 1 72 72 LEU CB C 13 40.946 0.000 . . . . . . A 69 LEU CB . 34605 1 801 . 1 . 1 72 72 LEU CG C 13 25.947 0.000 . . . . . . A 69 LEU CG . 34605 1 802 . 1 . 1 72 72 LEU CD1 C 13 23.061 0.000 . . . . . . A 69 LEU CD1 . 34605 1 803 . 1 . 1 72 72 LEU CD2 C 13 26.628 0.000 . . . . . . A 69 LEU CD2 . 34605 1 804 . 1 . 1 72 72 LEU N N 15 118.914 0.000 . . . . . . A 69 LEU N . 34605 1 805 . 1 . 1 73 73 GLU H H 1 8.699 0.000 . . . . . . A 70 GLU H . 34605 1 806 . 1 . 1 73 73 GLU HA H 1 3.945 0.000 . . . . . . A 70 GLU HA . 34605 1 807 . 1 . 1 73 73 GLU HB2 H 1 1.991 0.000 . . . . . . A 70 GLU HB2 . 34605 1 808 . 1 . 1 73 73 GLU HB3 H 1 2.296 0.000 . . . . . . A 70 GLU HB3 . 34605 1 809 . 1 . 1 73 73 GLU HG2 H 1 2.518 0.000 . . . . . . A 70 GLU HG2 . 34605 1 810 . 1 . 1 73 73 GLU HG3 H 1 2.208 0.000 . . . . . . A 70 GLU HG3 . 34605 1 811 . 1 . 1 73 73 GLU CA C 13 59.793 0.000 . . . . . . A 70 GLU CA . 34605 1 812 . 1 . 1 73 73 GLU CB C 13 28.851 0.000 . . . . . . A 70 GLU CB . 34605 1 813 . 1 . 1 73 73 GLU CG C 13 37.178 0.000 . . . . . . A 70 GLU CG . 34605 1 814 . 1 . 1 73 73 GLU N N 15 120.236 0.000 . . . . . . A 70 GLU N . 34605 1 815 . 1 . 1 74 74 GLU H H 1 8.400 0.000 . . . . . . A 71 GLU H . 34605 1 816 . 1 . 1 74 74 GLU HA H 1 4.087 0.000 . . . . . . A 71 GLU HA . 34605 1 817 . 1 . 1 74 74 GLU HB2 H 1 2.222 0.000 . . . . . . A 71 GLU HB2 . 34605 1 818 . 1 . 1 74 74 GLU HB3 H 1 2.115 0.000 . . . . . . A 71 GLU HB3 . 34605 1 819 . 1 . 1 74 74 GLU HG2 H 1 2.467 0.000 . . . . . . A 71 GLU HG2 . 34605 1 820 . 1 . 1 74 74 GLU HG3 H 1 2.107 0.000 . . . . . . A 71 GLU HG3 . 34605 1 821 . 1 . 1 74 74 GLU CA C 13 59.666 0.000 . . . . . . A 71 GLU CA . 34605 1 822 . 1 . 1 74 74 GLU CB C 13 29.070 0.000 . . . . . . A 71 GLU CB . 34605 1 823 . 1 . 1 74 74 GLU CG C 13 36.339 0.000 . . . . . . A 71 GLU CG . 34605 1 824 . 1 . 1 74 74 GLU N N 15 122.478 0.000 . . . . . . A 71 GLU N . 34605 1 825 . 1 . 1 75 75 ALA H H 1 8.475 0.000 . . . . . . A 72 ALA H . 34605 1 826 . 1 . 1 75 75 ALA HA H 1 3.909 0.000 . . . . . . A 72 ALA HA . 34605 1 827 . 1 . 1 75 75 ALA HB1 H 1 1.447 0.000 . . . . . . A 72 ALA HB1 . 34605 1 828 . 1 . 1 75 75 ALA HB2 H 1 1.447 0.000 . . . . . . A 72 ALA HB2 . 34605 1 829 . 1 . 1 75 75 ALA HB3 H 1 1.447 0.000 . . . . . . A 72 ALA HB3 . 34605 1 830 . 1 . 1 75 75 ALA CA C 13 55.859 0.000 . . . . . . A 72 ALA CA . 34605 1 831 . 1 . 1 75 75 ALA CB C 13 16.974 0.000 . . . . . . A 72 ALA CB . 34605 1 832 . 1 . 1 75 75 ALA N N 15 123.123 0.000 . . . . . . A 72 ALA N . 34605 1 833 . 1 . 1 76 76 ASN H H 1 8.555 0.000 . . . . . . A 73 ASN H . 34605 1 834 . 1 . 1 76 76 ASN HA H 1 4.491 0.000 . . . . . . A 73 ASN HA . 34605 1 835 . 1 . 1 76 76 ASN HB2 H 1 2.933 0.000 . . . . . . A 73 ASN HB2 . 34605 1 836 . 1 . 1 76 76 ASN HB3 H 1 2.559 0.000 . . . . . . A 73 ASN HB3 . 34605 1 837 . 1 . 1 76 76 ASN HD21 H 1 6.470 0.000 . . . . . . A 73 ASN HD21 . 34605 1 838 . 1 . 1 76 76 ASN HD22 H 1 7.558 0.000 . . . . . . A 73 ASN HD22 . 34605 1 839 . 1 . 1 76 76 ASN CA C 13 56.064 0.000 . . . . . . A 73 ASN CA . 34605 1 840 . 1 . 1 76 76 ASN CB C 13 38.612 0.000 . . . . . . A 73 ASN CB . 34605 1 841 . 1 . 1 76 76 ASN N N 15 115.789 0.000 . . . . . . A 73 ASN N . 34605 1 842 . 1 . 1 76 76 ASN ND2 N 15 110.357 0.010 . . . . . . A 73 ASN ND2 . 34605 1 843 . 1 . 1 77 77 GLY H H 1 8.118 0.000 . . . . . . A 74 GLY H . 34605 1 844 . 1 . 1 77 77 GLY HA2 H 1 4.014 0.000 . . . . . . A 74 GLY HA2 . 34605 1 845 . 1 . 1 77 77 GLY HA3 H 1 3.914 0.000 . . . . . . A 74 GLY HA3 . 34605 1 846 . 1 . 1 77 77 GLY CA C 13 46.943 0.000 . . . . . . A 74 GLY CA . 34605 1 847 . 1 . 1 77 77 GLY N N 15 105.536 0.000 . . . . . . A 74 GLY N . 34605 1 848 . 1 . 1 78 78 GLU H H 1 8.167 0.000 . . . . . . A 75 GLU H . 34605 1 849 . 1 . 1 78 78 GLU HA H 1 4.137 0.000 . . . . . . A 75 GLU HA . 34605 1 850 . 1 . 1 78 78 GLU HB2 H 1 2.413 0.000 . . . . . . A 75 GLU HB2 . 34605 1 851 . 1 . 1 78 78 GLU HG2 H 1 2.488 0.000 . . . . . . A 75 GLU HG2 . 34605 1 852 . 1 . 1 78 78 GLU CA C 13 58.584 0.000 . . . . . . A 75 GLU CA . 34605 1 853 . 1 . 1 78 78 GLU CB C 13 29.478 0.000 . . . . . . A 75 GLU CB . 34605 1 854 . 1 . 1 78 78 GLU CG C 13 36.111 0.000 . . . . . . A 75 GLU CG . 34605 1 855 . 1 . 1 78 78 GLU N N 15 123.603 0.000 . . . . . . A 75 GLU N . 34605 1 856 . 1 . 1 79 79 ILE H H 1 8.434 0.000 . . . . . . A 76 ILE H . 34605 1 857 . 1 . 1 79 79 ILE HA H 1 3.862 0.000 . . . . . . A 76 ILE HA . 34605 1 858 . 1 . 1 79 79 ILE HB H 1 2.072 0.000 . . . . . . A 76 ILE HB . 34605 1 859 . 1 . 1 79 79 ILE HG12 H 1 1.092 0.000 . . . . . . A 76 ILE HG12 . 34605 1 860 . 1 . 1 79 79 ILE HG13 H 1 1.604 0.000 . . . . . . A 76 ILE HG13 . 34605 1 861 . 1 . 1 79 79 ILE HG21 H 1 0.943 0.000 . . . . . . A 76 ILE HG21 . 34605 1 862 . 1 . 1 79 79 ILE HG22 H 1 0.943 0.000 . . . . . . A 76 ILE HG22 . 34605 1 863 . 1 . 1 79 79 ILE HG23 H 1 0.943 0.000 . . . . . . A 76 ILE HG23 . 34605 1 864 . 1 . 1 79 79 ILE HD11 H 1 0.804 0.000 . . . . . . A 76 ILE HD11 . 34605 1 865 . 1 . 1 79 79 ILE HD12 H 1 0.804 0.000 . . . . . . A 76 ILE HD12 . 34605 1 866 . 1 . 1 79 79 ILE HD13 H 1 0.804 0.000 . . . . . . A 76 ILE HD13 . 34605 1 867 . 1 . 1 79 79 ILE CA C 13 65.425 0.000 . . . . . . A 76 ILE CA . 34605 1 868 . 1 . 1 79 79 ILE CB C 13 37.732 0.000 . . . . . . A 76 ILE CB . 34605 1 869 . 1 . 1 79 79 ILE CG1 C 13 28.908 0.000 . . . . . . A 76 ILE CG1 . 34605 1 870 . 1 . 1 79 79 ILE CG2 C 13 17.798 0.000 . . . . . . A 76 ILE CG2 . 34605 1 871 . 1 . 1 79 79 ILE CD1 C 13 16.782 0.000 . . . . . . A 76 ILE CD1 . 34605 1 872 . 1 . 1 79 79 ILE N N 15 120.494 0.000 . . . . . . A 76 ILE N . 34605 1 873 . 1 . 1 80 80 GLU H H 1 7.910 0.000 . . . . . . A 77 GLU H . 34605 1 874 . 1 . 1 80 80 GLU HA H 1 3.950 0.000 . . . . . . A 77 GLU HA . 34605 1 875 . 1 . 1 80 80 GLU HB2 H 1 2.105 0.000 . . . . . . A 77 GLU HB2 . 34605 1 876 . 1 . 1 80 80 GLU HB3 H 1 2.105 0.000 . . . . . . A 77 GLU HB3 . 34605 1 877 . 1 . 1 80 80 GLU HG2 H 1 2.271 0.000 . . . . . . A 77 GLU HG2 . 34605 1 878 . 1 . 1 80 80 GLU HG3 H 1 2.271 0.000 . . . . . . A 77 GLU HG3 . 34605 1 879 . 1 . 1 80 80 GLU CA C 13 59.488 0.000 . . . . . . A 77 GLU CA . 34605 1 880 . 1 . 1 80 80 GLU CB C 13 29.254 0.000 . . . . . . A 77 GLU CB . 34605 1 881 . 1 . 1 80 80 GLU CG C 13 35.468 0.000 . . . . . . A 77 GLU CG . 34605 1 882 . 1 . 1 80 80 GLU N N 15 119.601 0.000 . . . . . . A 77 GLU N . 34605 1 883 . 1 . 1 81 81 LYS H H 1 7.780 0.000 . . . . . . A 78 LYS H . 34605 1 884 . 1 . 1 81 81 LYS HA H 1 3.919 0.000 . . . . . . A 78 LYS HA . 34605 1 885 . 1 . 1 81 81 LYS HB2 H 1 1.542 0.000 . . . . . . A 78 LYS HB2 . 34605 1 886 . 1 . 1 81 81 LYS HB3 H 1 1.644 0.000 . . . . . . A 78 LYS HB3 . 34605 1 887 . 1 . 1 81 81 LYS HG2 H 1 1.245 0.000 . . . . . . A 78 LYS HG2 . 34605 1 888 . 1 . 1 81 81 LYS HG3 H 1 1.245 0.000 . . . . . . A 78 LYS HG3 . 34605 1 889 . 1 . 1 81 81 LYS HD2 H 1 1.364 0.000 . . . . . . A 78 LYS HD2 . 34605 1 890 . 1 . 1 81 81 LYS HD3 H 1 1.249 0.000 . . . . . . A 78 LYS HD3 . 34605 1 891 . 1 . 1 81 81 LYS HE2 H 1 2.504 0.000 . . . . . . A 78 LYS HE2 . 34605 1 892 . 1 . 1 81 81 LYS HE3 H 1 2.332 0.000 . . . . . . A 78 LYS HE3 . 34605 1 893 . 1 . 1 81 81 LYS CA C 13 59.806 0.000 . . . . . . A 78 LYS CA . 34605 1 894 . 1 . 1 81 81 LYS CB C 13 32.049 0.000 . . . . . . A 78 LYS CB . 34605 1 895 . 1 . 1 81 81 LYS CG C 13 24.076 0.000 . . . . . . A 78 LYS CG . 34605 1 896 . 1 . 1 81 81 LYS CD C 13 29.135 0.000 . . . . . . A 78 LYS CD . 34605 1 897 . 1 . 1 81 81 LYS CE C 13 41.028 0.000 . . . . . . A 78 LYS CE . 34605 1 898 . 1 . 1 81 81 LYS N N 15 121.674 0.000 . . . . . . A 78 LYS N . 34605 1 899 . 1 . 1 82 82 PHE H H 1 8.283 0.000 . . . . . . A 79 PHE H . 34605 1 900 . 1 . 1 82 82 PHE HA H 1 4.752 0.000 . . . . . . A 79 PHE HA . 34605 1 901 . 1 . 1 82 82 PHE HB2 H 1 3.358 0.000 . . . . . . A 79 PHE HB2 . 34605 1 902 . 1 . 1 82 82 PHE HB3 H 1 3.358 0.000 . . . . . . A 79 PHE HB3 . 34605 1 903 . 1 . 1 82 82 PHE HD1 H 1 6.810 0.000 . . . . . . A 79 PHE HD1 . 34605 1 904 . 1 . 1 82 82 PHE HD2 H 1 6.810 0.000 . . . . . . A 79 PHE HD2 . 34605 1 905 . 1 . 1 82 82 PHE CA C 13 58.101 0.000 . . . . . . A 79 PHE CA . 34605 1 906 . 1 . 1 82 82 PHE CB C 13 36.504 0.000 . . . . . . A 79 PHE CB . 34605 1 907 . 1 . 1 82 82 PHE CD1 C 13 130.450 0.000 . . . . . . A 79 PHE CD1 . 34605 1 908 . 1 . 1 82 82 PHE CD2 C 13 130.450 0.000 . . . . . . A 79 PHE CD2 . 34605 1 909 . 1 . 1 82 82 PHE N N 15 115.911 0.000 . . . . . . A 79 PHE N . 34605 1 910 . 1 . 1 83 83 SER H H 1 7.728 0.000 . . . . . . A 80 SER H . 34605 1 911 . 1 . 1 83 83 SER HA H 1 4.539 0.000 . . . . . . A 80 SER HA . 34605 1 912 . 1 . 1 83 83 SER HB2 H 1 4.093 0.000 . . . . . . A 80 SER HB2 . 34605 1 913 . 1 . 1 83 83 SER HB3 H 1 4.146 0.000 . . . . . . A 80 SER HB3 . 34605 1 914 . 1 . 1 83 83 SER CA C 13 60.371 0.000 . . . . . . A 80 SER CA . 34605 1 915 . 1 . 1 83 83 SER CB C 13 63.564 0.000 . . . . . . A 80 SER CB . 34605 1 916 . 1 . 1 83 83 SER N N 15 113.407 0.000 . . . . . . A 80 SER N . 34605 1 917 . 1 . 1 84 84 ASN H H 1 7.345 0.000 . . . . . . A 81 ASN H . 34605 1 918 . 1 . 1 84 84 ASN HA H 1 5.012 0.000 . . . . . . A 81 ASN HA . 34605 1 919 . 1 . 1 84 84 ASN HB2 H 1 2.895 0.000 . . . . . . A 81 ASN HB2 . 34605 1 920 . 1 . 1 84 84 ASN HB3 H 1 3.055 0.000 . . . . . . A 81 ASN HB3 . 34605 1 921 . 1 . 1 84 84 ASN HD21 H 1 7.112 0.000 . . . . . . A 81 ASN HD21 . 34605 1 922 . 1 . 1 84 84 ASN HD22 H 1 7.772 0.000 . . . . . . A 81 ASN HD22 . 34605 1 923 . 1 . 1 84 84 ASN CA C 13 52.165 0.000 . . . . . . A 81 ASN CA . 34605 1 924 . 1 . 1 84 84 ASN CB C 13 40.103 0.000 . . . . . . A 81 ASN CB . 34605 1 925 . 1 . 1 84 84 ASN N N 15 119.576 0.000 . . . . . . A 81 ASN N . 34605 1 926 . 1 . 1 84 84 ASN ND2 N 15 113.719 0.001 . . . . . . A 81 ASN ND2 . 34605 1 927 . 1 . 1 86 86 SER H H 1 8.471 0.000 . . . . . . A 83 SER H . 34605 1 928 . 1 . 1 86 86 SER HA H 1 4.227 0.000 . . . . . . A 83 SER HA . 34605 1 929 . 1 . 1 86 86 SER HB2 H 1 3.959 0.000 . . . . . . A 83 SER HB2 . 34605 1 930 . 1 . 1 86 86 SER HB3 H 1 3.959 0.000 . . . . . . A 83 SER HB3 . 34605 1 931 . 1 . 1 86 86 SER CA C 13 61.866 0.000 . . . . . . A 83 SER CA . 34605 1 932 . 1 . 1 86 86 SER CB C 13 62.232 0.000 . . . . . . A 83 SER CB . 34605 1 933 . 1 . 1 86 86 SER N N 15 114.780 0.000 . . . . . . A 83 SER N . 34605 1 934 . 1 . 1 87 87 ASN H H 1 8.063 0.000 . . . . . . A 84 ASN H . 34605 1 935 . 1 . 1 87 87 ASN HA H 1 4.619 0.000 . . . . . . A 84 ASN HA . 34605 1 936 . 1 . 1 87 87 ASN HB2 H 1 2.617 0.000 . . . . . . A 84 ASN HB2 . 34605 1 937 . 1 . 1 87 87 ASN HB3 H 1 3.329 0.000 . . . . . . A 84 ASN HB3 . 34605 1 938 . 1 . 1 87 87 ASN HD21 H 1 7.257 0.000 . . . . . . A 84 ASN HD21 . 34605 1 939 . 1 . 1 87 87 ASN HD22 H 1 8.325 0.000 . . . . . . A 84 ASN HD22 . 34605 1 940 . 1 . 1 87 87 ASN CA C 13 55.393 0.000 . . . . . . A 84 ASN CA . 34605 1 941 . 1 . 1 87 87 ASN CB C 13 37.277 0.000 . . . . . . A 84 ASN CB . 34605 1 942 . 1 . 1 87 87 ASN N N 15 119.640 0.000 . . . . . . A 84 ASN N . 34605 1 943 . 1 . 1 87 87 ASN ND2 N 15 113.446 0.015 . . . . . . A 84 ASN ND2 . 34605 1 944 . 1 . 1 88 88 ILE H H 1 7.810 0.000 . . . . . . A 85 ILE H . 34605 1 945 . 1 . 1 88 88 ILE HA H 1 3.801 0.000 . . . . . . A 85 ILE HA . 34605 1 946 . 1 . 1 88 88 ILE HB H 1 2.044 0.000 . . . . . . A 85 ILE HB . 34605 1 947 . 1 . 1 88 88 ILE HG12 H 1 0.990 0.000 . . . . . . A 85 ILE HG12 . 34605 1 948 . 1 . 1 88 88 ILE HG13 H 1 1.585 0.000 . . . . . . A 85 ILE HG13 . 34605 1 949 . 1 . 1 88 88 ILE HG21 H 1 0.452 0.000 . . . . . . A 85 ILE HG21 . 34605 1 950 . 1 . 1 88 88 ILE HG22 H 1 0.452 0.000 . . . . . . A 85 ILE HG22 . 34605 1 951 . 1 . 1 88 88 ILE HG23 H 1 0.452 0.000 . . . . . . A 85 ILE HG23 . 34605 1 952 . 1 . 1 88 88 ILE HD11 H 1 0.877 0.000 . . . . . . A 85 ILE HD11 . 34605 1 953 . 1 . 1 88 88 ILE HD12 H 1 0.877 0.000 . . . . . . A 85 ILE HD12 . 34605 1 954 . 1 . 1 88 88 ILE HD13 H 1 0.877 0.000 . . . . . . A 85 ILE HD13 . 34605 1 955 . 1 . 1 88 88 ILE CA C 13 64.783 0.000 . . . . . . A 85 ILE CA . 34605 1 956 . 1 . 1 88 88 ILE CB C 13 37.305 0.000 . . . . . . A 85 ILE CB . 34605 1 957 . 1 . 1 88 88 ILE CG1 C 13 28.933 0.000 . . . . . . A 85 ILE CG1 . 34605 1 958 . 1 . 1 88 88 ILE CG2 C 13 17.942 0.000 . . . . . . A 85 ILE CG2 . 34605 1 959 . 1 . 1 88 88 ILE CD1 C 13 13.965 0.000 . . . . . . A 85 ILE CD1 . 34605 1 960 . 1 . 1 88 88 ILE N N 15 122.362 0.000 . . . . . . A 85 ILE N . 34605 1 961 . 1 . 1 89 89 CYS H H 1 8.391 0.000 . . . . . . A 86 CYS H . 34605 1 962 . 1 . 1 89 89 CYS HA H 1 3.956 0.000 . . . . . . A 86 CYS HA . 34605 1 963 . 1 . 1 89 89 CYS HB2 H 1 3.066 0.000 . . . . . . A 86 CYS HB2 . 34605 1 964 . 1 . 1 89 89 CYS HB3 H 1 3.066 0.000 . . . . . . A 86 CYS HB3 . 34605 1 965 . 1 . 1 89 89 CYS CA C 13 63.781 0.000 . . . . . . A 86 CYS CA . 34605 1 966 . 1 . 1 89 89 CYS CB C 13 26.562 0.000 . . . . . . A 86 CYS CB . 34605 1 967 . 1 . 1 89 89 CYS N N 15 119.433 0.000 . . . . . . A 86 CYS N . 34605 1 968 . 1 . 1 90 90 ARG H H 1 7.974 0.000 . . . . . . A 87 ARG H . 34605 1 969 . 1 . 1 90 90 ARG HA H 1 4.036 0.000 . . . . . . A 87 ARG HA . 34605 1 970 . 1 . 1 90 90 ARG HB2 H 1 1.976 0.000 . . . . . . A 87 ARG HB2 . 34605 1 971 . 1 . 1 90 90 ARG HB3 H 1 1.976 0.000 . . . . . . A 87 ARG HB3 . 34605 1 972 . 1 . 1 90 90 ARG HG2 H 1 1.838 0.000 . . . . . . A 87 ARG HG2 . 34605 1 973 . 1 . 1 90 90 ARG HG3 H 1 1.677 0.000 . . . . . . A 87 ARG HG3 . 34605 1 974 . 1 . 1 90 90 ARG HD2 H 1 3.274 0.000 . . . . . . A 87 ARG HD2 . 34605 1 975 . 1 . 1 90 90 ARG HD3 H 1 3.274 0.000 . . . . . . A 87 ARG HD3 . 34605 1 976 . 1 . 1 90 90 ARG CA C 13 59.446 0.000 . . . . . . A 87 ARG CA . 34605 1 977 . 1 . 1 90 90 ARG CB C 13 30.185 0.000 . . . . . . A 87 ARG CB . 34605 1 978 . 1 . 1 90 90 ARG CG C 13 27.757 0.000 . . . . . . A 87 ARG CG . 34605 1 979 . 1 . 1 90 90 ARG CD C 13 43.232 0.000 . . . . . . A 87 ARG CD . 34605 1 980 . 1 . 1 90 90 ARG N N 15 119.230 0.000 . . . . . . A 87 ARG N . 34605 1 981 . 1 . 1 91 91 PHE H H 1 7.814 0.000 . . . . . . A 88 PHE H . 34605 1 982 . 1 . 1 91 91 PHE HA H 1 4.246 0.000 . . . . . . A 88 PHE HA . 34605 1 983 . 1 . 1 91 91 PHE HB2 H 1 3.395 0.000 . . . . . . A 88 PHE HB2 . 34605 1 984 . 1 . 1 91 91 PHE HB3 H 1 3.111 0.000 . . . . . . A 88 PHE HB3 . 34605 1 985 . 1 . 1 91 91 PHE HD1 H 1 7.054 0.000 . . . . . . A 88 PHE HD1 . 34605 1 986 . 1 . 1 91 91 PHE HD2 H 1 7.054 0.000 . . . . . . A 88 PHE HD2 . 34605 1 987 . 1 . 1 91 91 PHE CA C 13 61.417 0.000 . . . . . . A 88 PHE CA . 34605 1 988 . 1 . 1 91 91 PHE CB C 13 39.665 0.000 . . . . . . A 88 PHE CB . 34605 1 989 . 1 . 1 91 91 PHE CD1 C 13 132.320 0.000 . . . . . . A 88 PHE CD1 . 34605 1 990 . 1 . 1 91 91 PHE CD2 C 13 132.320 0.000 . . . . . . A 88 PHE CD2 . 34605 1 991 . 1 . 1 91 91 PHE N N 15 120.432 0.000 . . . . . . A 88 PHE N . 34605 1 992 . 1 . 1 92 92 LEU H H 1 8.690 0.000 . . . . . . A 89 LEU H . 34605 1 993 . 1 . 1 92 92 LEU HA H 1 3.640 0.000 . . . . . . A 89 LEU HA . 34605 1 994 . 1 . 1 92 92 LEU HB2 H 1 1.212 0.000 . . . . . . A 89 LEU HB2 . 34605 1 995 . 1 . 1 92 92 LEU HB3 H 1 1.695 0.000 . . . . . . A 89 LEU HB3 . 34605 1 996 . 1 . 1 92 92 LEU HG H 1 1.701 0.000 . . . . . . A 89 LEU HG . 34605 1 997 . 1 . 1 92 92 LEU HD11 H 1 0.734 0.000 . . . . . . A 89 LEU HD11 . 34605 1 998 . 1 . 1 92 92 LEU HD12 H 1 0.734 0.000 . . . . . . A 89 LEU HD12 . 34605 1 999 . 1 . 1 92 92 LEU HD13 H 1 0.734 0.000 . . . . . . A 89 LEU HD13 . 34605 1 1000 . 1 . 1 92 92 LEU HD21 H 1 0.379 0.000 . . . . . . A 89 LEU HD21 . 34605 1 1001 . 1 . 1 92 92 LEU HD22 H 1 0.379 0.000 . . . . . . A 89 LEU HD22 . 34605 1 1002 . 1 . 1 92 92 LEU HD23 H 1 0.379 0.000 . . . . . . A 89 LEU HD23 . 34605 1 1003 . 1 . 1 92 92 LEU CA C 13 57.617 0.000 . . . . . . A 89 LEU CA . 34605 1 1004 . 1 . 1 92 92 LEU CB C 13 41.541 0.000 . . . . . . A 89 LEU CB . 34605 1 1005 . 1 . 1 92 92 LEU CG C 13 26.836 0.000 . . . . . . A 89 LEU CG . 34605 1 1006 . 1 . 1 92 92 LEU CD1 C 13 22.648 0.000 . . . . . . A 89 LEU CD1 . 34605 1 1007 . 1 . 1 92 92 LEU CD2 C 13 26.382 0.000 . . . . . . A 89 LEU CD2 . 34605 1 1008 . 1 . 1 92 92 LEU N N 15 118.309 0.000 . . . . . . A 89 LEU N . 34605 1 1009 . 1 . 1 93 93 THR H H 1 7.767 0.000 . . . . . . A 90 THR H . 34605 1 1010 . 1 . 1 93 93 THR HA H 1 3.994 0.000 . . . . . . A 90 THR HA . 34605 1 1011 . 1 . 1 93 93 THR HB H 1 4.208 0.000 . . . . . . A 90 THR HB . 34605 1 1012 . 1 . 1 93 93 THR HG21 H 1 1.252 0.000 . . . . . . A 90 THR HG21 . 34605 1 1013 . 1 . 1 93 93 THR HG22 H 1 1.252 0.000 . . . . . . A 90 THR HG22 . 34605 1 1014 . 1 . 1 93 93 THR HG23 H 1 1.252 0.000 . . . . . . A 90 THR HG23 . 34605 1 1015 . 1 . 1 93 93 THR CA C 13 65.314 0.000 . . . . . . A 90 THR CA . 34605 1 1016 . 1 . 1 93 93 THR CB C 13 69.157 0.000 . . . . . . A 90 THR CB . 34605 1 1017 . 1 . 1 93 93 THR CG2 C 13 21.387 0.000 . . . . . . A 90 THR CG2 . 34605 1 1018 . 1 . 1 93 93 THR N N 15 112.337 0.000 . . . . . . A 90 THR N . 34605 1 1019 . 1 . 1 94 94 ALA H H 1 7.224 0.000 . . . . . . A 91 ALA H . 34605 1 1020 . 1 . 1 94 94 ALA HA H 1 4.294 0.000 . . . . . . A 91 ALA HA . 34605 1 1021 . 1 . 1 94 94 ALA HB1 H 1 1.365 0.000 . . . . . . A 91 ALA HB1 . 34605 1 1022 . 1 . 1 94 94 ALA HB2 H 1 1.365 0.000 . . . . . . A 91 ALA HB2 . 34605 1 1023 . 1 . 1 94 94 ALA HB3 H 1 1.365 0.000 . . . . . . A 91 ALA HB3 . 34605 1 1024 . 1 . 1 94 94 ALA CA C 13 52.770 0.000 . . . . . . A 91 ALA CA . 34605 1 1025 . 1 . 1 94 94 ALA CB C 13 19.791 0.000 . . . . . . A 91 ALA CB . 34605 1 1026 . 1 . 1 94 94 ALA N N 15 122.339 0.000 . . . . . . A 91 ALA N . 34605 1 1027 . 1 . 1 95 95 SER H H 1 7.543 0.000 . . . . . . A 92 SER H . 34605 1 1028 . 1 . 1 95 95 SER HA H 1 4.151 0.000 . . . . . . A 92 SER HA . 34605 1 1029 . 1 . 1 95 95 SER HB2 H 1 3.098 0.000 . . . . . . A 92 SER HB2 . 34605 1 1030 . 1 . 1 95 95 SER HB3 H 1 3.098 0.000 . . . . . . A 92 SER HB3 . 34605 1 1031 . 1 . 1 95 95 SER CA C 13 57.602 0.000 . . . . . . A 92 SER CA . 34605 1 1032 . 1 . 1 95 95 SER CB C 13 63.942 0.000 . . . . . . A 92 SER CB . 34605 1 1033 . 1 . 1 95 95 SER N N 15 113.149 0.000 . . . . . . A 92 SER N . 34605 1 1034 . 1 . 1 96 96 GLN HA H 1 4.237 0.000 . . . . . . A 93 GLN HA . 34605 1 1035 . 1 . 1 96 96 GLN HB2 H 1 2.051 0.000 . . . . . . A 93 GLN HB2 . 34605 1 1036 . 1 . 1 96 96 GLN HB3 H 1 2.120 0.000 . . . . . . A 93 GLN HB3 . 34605 1 1037 . 1 . 1 96 96 GLN HG2 H 1 2.395 0.000 . . . . . . A 93 GLN HG2 . 34605 1 1038 . 1 . 1 96 96 GLN HG3 H 1 2.395 0.000 . . . . . . A 93 GLN HG3 . 34605 1 1039 . 1 . 1 96 96 GLN HE21 H 1 6.892 0.000 . . . . . . A 93 GLN HE21 . 34605 1 1040 . 1 . 1 96 96 GLN HE22 H 1 7.559 0.000 . . . . . . A 93 GLN HE22 . 34605 1 1041 . 1 . 1 96 96 GLN CA C 13 57.659 0.000 . . . . . . A 93 GLN CA . 34605 1 1042 . 1 . 1 96 96 GLN CB C 13 28.917 0.000 . . . . . . A 93 GLN CB . 34605 1 1043 . 1 . 1 96 96 GLN CG C 13 33.877 0.000 . . . . . . A 93 GLN CG . 34605 1 1044 . 1 . 1 96 96 GLN NE2 N 15 112.923 0.002 . . . . . . A 93 GLN NE2 . 34605 1 1045 . 1 . 1 97 97 ASP H H 1 7.870 0.000 . . . . . . A 94 ASP H . 34605 1 1046 . 1 . 1 97 97 ASP HA H 1 4.581 0.000 . . . . . . A 94 ASP HA . 34605 1 1047 . 1 . 1 97 97 ASP HB2 H 1 2.583 0.000 . . . . . . A 94 ASP HB2 . 34605 1 1048 . 1 . 1 97 97 ASP HB3 H 1 2.885 0.000 . . . . . . A 94 ASP HB3 . 34605 1 1049 . 1 . 1 97 97 ASP CA C 13 53.944 0.000 . . . . . . A 94 ASP CA . 34605 1 1050 . 1 . 1 97 97 ASP CB C 13 41.534 0.000 . . . . . . A 94 ASP CB . 34605 1 1051 . 1 . 1 97 97 ASP N N 15 116.688 0.000 . . . . . . A 94 ASP N . 34605 1 1052 . 1 . 1 99 99 ILE HA H 1 4.365 0.000 . . . . . . A 96 ILE HA . 34605 1 1053 . 1 . 1 99 99 ILE HB H 1 1.705 0.000 . . . . . . A 96 ILE HB . 34605 1 1054 . 1 . 1 99 99 ILE HG12 H 1 0.746 0.000 . . . . . . A 96 ILE HG12 . 34605 1 1055 . 1 . 1 99 99 ILE HG13 H 1 1.536 0.000 . . . . . . A 96 ILE HG13 . 34605 1 1056 . 1 . 1 99 99 ILE HG21 H 1 0.975 0.000 . . . . . . A 96 ILE HG21 . 34605 1 1057 . 1 . 1 99 99 ILE HG22 H 1 0.975 0.000 . . . . . . A 96 ILE HG22 . 34605 1 1058 . 1 . 1 99 99 ILE HG23 H 1 0.975 0.000 . . . . . . A 96 ILE HG23 . 34605 1 1059 . 1 . 1 99 99 ILE HD11 H 1 0.822 0.000 . . . . . . A 96 ILE HD11 . 34605 1 1060 . 1 . 1 99 99 ILE HD12 H 1 0.822 0.000 . . . . . . A 96 ILE HD12 . 34605 1 1061 . 1 . 1 99 99 ILE HD13 H 1 0.822 0.000 . . . . . . A 96 ILE HD13 . 34605 1 1062 . 1 . 1 99 99 ILE CA C 13 60.793 0.000 . . . . . . A 96 ILE CA . 34605 1 1063 . 1 . 1 99 99 ILE CB C 13 37.801 0.000 . . . . . . A 96 ILE CB . 34605 1 1064 . 1 . 1 99 99 ILE CG1 C 13 27.463 0.000 . . . . . . A 96 ILE CG1 . 34605 1 1065 . 1 . 1 99 99 ILE CG2 C 13 18.898 0.000 . . . . . . A 96 ILE CG2 . 34605 1 1066 . 1 . 1 99 99 ILE CD1 C 13 13.437 0.000 . . . . . . A 96 ILE CD1 . 34605 1 1067 . 1 . 1 100 100 LEU H H 1 8.686 0.000 . . . . . . A 97 LEU H . 34605 1 1068 . 1 . 1 100 100 LEU HA H 1 3.137 0.000 . . . . . . A 97 LEU HA . 34605 1 1069 . 1 . 1 100 100 LEU HB2 H 1 0.522 0.000 . . . . . . A 97 LEU HB2 . 34605 1 1070 . 1 . 1 100 100 LEU HB3 H 1 0.218 0.000 . . . . . . A 97 LEU HB3 . 34605 1 1071 . 1 . 1 100 100 LEU HG H 1 0.135 0.000 . . . . . . A 97 LEU HG . 34605 1 1072 . 1 . 1 100 100 LEU HD11 H 1 -0.373 0.000 . . . . . . A 97 LEU HD11 . 34605 1 1073 . 1 . 1 100 100 LEU HD12 H 1 -0.373 0.000 . . . . . . A 97 LEU HD12 . 34605 1 1074 . 1 . 1 100 100 LEU HD13 H 1 -0.373 0.000 . . . . . . A 97 LEU HD13 . 34605 1 1075 . 1 . 1 100 100 LEU HD21 H 1 -0.231 0.000 . . . . . . A 97 LEU HD21 . 34605 1 1076 . 1 . 1 100 100 LEU HD22 H 1 -0.231 0.000 . . . . . . A 97 LEU HD22 . 34605 1 1077 . 1 . 1 100 100 LEU HD23 H 1 -0.231 0.000 . . . . . . A 97 LEU HD23 . 34605 1 1078 . 1 . 1 100 100 LEU CA C 13 58.013 0.000 . . . . . . A 97 LEU CA . 34605 1 1079 . 1 . 1 100 100 LEU CB C 13 42.950 0.000 . . . . . . A 97 LEU CB . 34605 1 1080 . 1 . 1 100 100 LEU CG C 13 26.029 0.000 . . . . . . A 97 LEU CG . 34605 1 1081 . 1 . 1 100 100 LEU CD1 C 13 23.239 0.000 . . . . . . A 97 LEU CD1 . 34605 1 1082 . 1 . 1 100 100 LEU CD2 C 13 24.169 0.000 . . . . . . A 97 LEU CD2 . 34605 1 1083 . 1 . 1 100 100 LEU N N 15 131.338 0.000 . . . . . . A 97 LEU N . 34605 1 1084 . 1 . 1 101 101 PHE H H 1 8.559 0.000 . . . . . . A 98 PHE H . 34605 1 1085 . 1 . 1 101 101 PHE HA H 1 5.114 0.000 . . . . . . A 98 PHE HA . 34605 1 1086 . 1 . 1 101 101 PHE HB2 H 1 2.645 0.000 . . . . . . A 98 PHE HB2 . 34605 1 1087 . 1 . 1 101 101 PHE HB3 H 1 3.424 0.000 . . . . . . A 98 PHE HB3 . 34605 1 1088 . 1 . 1 101 101 PHE HD1 H 1 7.130 0.000 . . . . . . A 98 PHE HD1 . 34605 1 1089 . 1 . 1 101 101 PHE HD2 H 1 7.130 0.000 . . . . . . A 98 PHE HD2 . 34605 1 1090 . 1 . 1 101 101 PHE CA C 13 55.542 0.000 . . . . . . A 98 PHE CA . 34605 1 1091 . 1 . 1 101 101 PHE CB C 13 37.383 0.000 . . . . . . A 98 PHE CB . 34605 1 1092 . 1 . 1 101 101 PHE CD1 C 13 129.627 0.000 . . . . . . A 98 PHE CD1 . 34605 1 1093 . 1 . 1 101 101 PHE CD2 C 13 129.627 0.000 . . . . . . A 98 PHE CD2 . 34605 1 1094 . 1 . 1 101 101 PHE N N 15 113.834 0.000 . . . . . . A 98 PHE N . 34605 1 1095 . 1 . 1 102 102 LYS H H 1 6.831 0.000 . . . . . . A 99 LYS H . 34605 1 1096 . 1 . 1 102 102 LYS HA H 1 3.890 0.000 . . . . . . A 99 LYS HA . 34605 1 1097 . 1 . 1 102 102 LYS HB2 H 1 1.854 0.000 . . . . . . A 99 LYS HB2 . 34605 1 1098 . 1 . 1 102 102 LYS HB3 H 1 1.940 0.000 . . . . . . A 99 LYS HB3 . 34605 1 1099 . 1 . 1 102 102 LYS HG2 H 1 1.651 0.000 . . . . . . A 99 LYS HG2 . 34605 1 1100 . 1 . 1 102 102 LYS HG3 H 1 1.413 0.000 . . . . . . A 99 LYS HG3 . 34605 1 1101 . 1 . 1 102 102 LYS HD2 H 1 1.840 0.000 . . . . . . A 99 LYS HD2 . 34605 1 1102 . 1 . 1 102 102 LYS HD3 H 1 1.880 0.000 . . . . . . A 99 LYS HD3 . 34605 1 1103 . 1 . 1 102 102 LYS HE2 H 1 3.115 0.000 . . . . . . A 99 LYS HE2 . 34605 1 1104 . 1 . 1 102 102 LYS HE3 H 1 3.115 0.000 . . . . . . A 99 LYS HE3 . 34605 1 1105 . 1 . 1 102 102 LYS CA C 13 61.185 0.000 . . . . . . A 99 LYS CA . 34605 1 1106 . 1 . 1 102 102 LYS CB C 13 33.292 0.000 . . . . . . A 99 LYS CB . 34605 1 1107 . 1 . 1 102 102 LYS CG C 13 24.171 0.000 . . . . . . A 99 LYS CG . 34605 1 1108 . 1 . 1 102 102 LYS CD C 13 29.512 0.000 . . . . . . A 99 LYS CD . 34605 1 1109 . 1 . 1 102 102 LYS CE C 13 41.734 0.000 . . . . . . A 99 LYS CE . 34605 1 1110 . 1 . 1 102 102 LYS N N 15 119.587 0.000 . . . . . . A 99 LYS N . 34605 1 1111 . 1 . 1 103 103 ASP H H 1 8.611 0.000 . . . . . . A 100 ASP H . 34605 1 1112 . 1 . 1 103 103 ASP HA H 1 4.637 0.000 . . . . . . A 100 ASP HA . 34605 1 1113 . 1 . 1 103 103 ASP HB2 H 1 2.726 0.000 . . . . . . A 100 ASP HB2 . 34605 1 1114 . 1 . 1 103 103 ASP HB3 H 1 2.810 0.000 . . . . . . A 100 ASP HB3 . 34605 1 1115 . 1 . 1 103 103 ASP CA C 13 58.008 0.000 . . . . . . A 100 ASP CA . 34605 1 1116 . 1 . 1 103 103 ASP CB C 13 40.294 0.000 . . . . . . A 100 ASP CB . 34605 1 1117 . 1 . 1 103 103 ASP N N 15 117.941 0.000 . . . . . . A 100 ASP N . 34605 1 1118 . 1 . 1 104 104 VAL H H 1 8.363 0.000 . . . . . . A 101 VAL H . 34605 1 1119 . 1 . 1 104 104 VAL HA H 1 3.894 0.000 . . . . . . A 101 VAL HA . 34605 1 1120 . 1 . 1 104 104 VAL HB H 1 2.203 0.000 . . . . . . A 101 VAL HB . 34605 1 1121 . 1 . 1 104 104 VAL HG11 H 1 1.150 0.000 . . . . . . A 101 VAL HG11 . 34605 1 1122 . 1 . 1 104 104 VAL HG12 H 1 1.150 0.000 . . . . . . A 101 VAL HG12 . 34605 1 1123 . 1 . 1 104 104 VAL HG13 H 1 1.150 0.000 . . . . . . A 101 VAL HG13 . 34605 1 1124 . 1 . 1 104 104 VAL HG21 H 1 1.006 0.000 . . . . . . A 101 VAL HG21 . 34605 1 1125 . 1 . 1 104 104 VAL HG22 H 1 1.006 0.000 . . . . . . A 101 VAL HG22 . 34605 1 1126 . 1 . 1 104 104 VAL HG23 H 1 1.006 0.000 . . . . . . A 101 VAL HG23 . 34605 1 1127 . 1 . 1 104 104 VAL CA C 13 65.796 0.000 . . . . . . A 101 VAL CA . 34605 1 1128 . 1 . 1 104 104 VAL CB C 13 31.979 0.000 . . . . . . A 101 VAL CB . 34605 1 1129 . 1 . 1 104 104 VAL CG1 C 13 23.552 0.000 . . . . . . A 101 VAL CG1 . 34605 1 1130 . 1 . 1 104 104 VAL CG2 C 13 21.336 0.000 . . . . . . A 101 VAL CG2 . 34605 1 1131 . 1 . 1 104 104 VAL N N 15 122.948 0.000 . . . . . . A 101 VAL N . 34605 1 1132 . 1 . 1 105 105 ASN H H 1 9.125 0.000 . . . . . . A 102 ASN H . 34605 1 1133 . 1 . 1 105 105 ASN HA H 1 4.591 0.000 . . . . . . A 102 ASN HA . 34605 1 1134 . 1 . 1 105 105 ASN HB2 H 1 2.906 0.000 . . . . . . A 102 ASN HB2 . 34605 1 1135 . 1 . 1 105 105 ASN HB3 H 1 3.017 0.000 . . . . . . A 102 ASN HB3 . 34605 1 1136 . 1 . 1 105 105 ASN HD21 H 1 5.659 0.000 . . . . . . A 102 ASN HD21 . 34605 1 1137 . 1 . 1 105 105 ASN HD22 H 1 7.881 0.000 . . . . . . A 102 ASN HD22 . 34605 1 1138 . 1 . 1 105 105 ASN CA C 13 56.143 0.000 . . . . . . A 102 ASN CA . 34605 1 1139 . 1 . 1 105 105 ASN CB C 13 37.776 0.000 . . . . . . A 102 ASN CB . 34605 1 1140 . 1 . 1 105 105 ASN N N 15 121.425 0.000 . . . . . . A 102 ASN N . 34605 1 1141 . 1 . 1 105 105 ASN ND2 N 15 106.089 0.028 . . . . . . A 102 ASN ND2 . 34605 1 1142 . 1 . 1 106 106 ARG H H 1 7.727 0.000 . . . . . . A 103 ARG H . 34605 1 1143 . 1 . 1 106 106 ARG HA H 1 4.191 0.000 . . . . . . A 103 ARG HA . 34605 1 1144 . 1 . 1 106 106 ARG HB2 H 1 2.091 0.000 . . . . . . A 103 ARG HB2 . 34605 1 1145 . 1 . 1 106 106 ARG HB3 H 1 2.195 0.000 . . . . . . A 103 ARG HB3 . 34605 1 1146 . 1 . 1 106 106 ARG HG2 H 1 1.775 0.000 . . . . . . A 103 ARG HG2 . 34605 1 1147 . 1 . 1 106 106 ARG HG3 H 1 1.775 0.000 . . . . . . A 103 ARG HG3 . 34605 1 1148 . 1 . 1 106 106 ARG HD2 H 1 3.292 0.000 . . . . . . A 103 ARG HD2 . 34605 1 1149 . 1 . 1 106 106 ARG HD3 H 1 3.366 0.000 . . . . . . A 103 ARG HD3 . 34605 1 1150 . 1 . 1 106 106 ARG CA C 13 58.904 0.000 . . . . . . A 103 ARG CA . 34605 1 1151 . 1 . 1 106 106 ARG CB C 13 29.563 0.000 . . . . . . A 103 ARG CB . 34605 1 1152 . 1 . 1 106 106 ARG CG C 13 26.830 0.000 . . . . . . A 103 ARG CG . 34605 1 1153 . 1 . 1 106 106 ARG CD C 13 42.992 0.000 . . . . . . A 103 ARG CD . 34605 1 1154 . 1 . 1 106 106 ARG N N 15 120.867 0.000 . . . . . . A 103 ARG N . 34605 1 1155 . 1 . 1 107 107 LYS H H 1 8.041 0.000 . . . . . . A 104 LYS H . 34605 1 1156 . 1 . 1 107 107 LYS HA H 1 4.219 0.000 . . . . . . A 104 LYS HA . 34605 1 1157 . 1 . 1 107 107 LYS HB2 H 1 1.984 0.000 . . . . . . A 104 LYS HB2 . 34605 1 1158 . 1 . 1 107 107 LYS HB3 H 1 2.059 0.000 . . . . . . A 104 LYS HB3 . 34605 1 1159 . 1 . 1 107 107 LYS HG2 H 1 1.542 0.000 . . . . . . A 104 LYS HG2 . 34605 1 1160 . 1 . 1 107 107 LYS HG3 H 1 1.712 0.000 . . . . . . A 104 LYS HG3 . 34605 1 1161 . 1 . 1 107 107 LYS HD2 H 1 1.711 0.000 . . . . . . A 104 LYS HD2 . 34605 1 1162 . 1 . 1 107 107 LYS HD3 H 1 1.834 0.000 . . . . . . A 104 LYS HD3 . 34605 1 1163 . 1 . 1 107 107 LYS HE2 H 1 2.944 0.000 . . . . . . A 104 LYS HE2 . 34605 1 1164 . 1 . 1 107 107 LYS HE3 H 1 2.944 0.000 . . . . . . A 104 LYS HE3 . 34605 1 1165 . 1 . 1 107 107 LYS CA C 13 60.275 0.000 . . . . . . A 104 LYS CA . 34605 1 1166 . 1 . 1 107 107 LYS CB C 13 32.422 0.000 . . . . . . A 104 LYS CB . 34605 1 1167 . 1 . 1 107 107 LYS CG C 13 25.838 0.000 . . . . . . A 104 LYS CG . 34605 1 1168 . 1 . 1 107 107 LYS CD C 13 29.004 0.000 . . . . . . A 104 LYS CD . 34605 1 1169 . 1 . 1 107 107 LYS CE C 13 41.529 0.000 . . . . . . A 104 LYS CE . 34605 1 1170 . 1 . 1 107 107 LYS N N 15 119.770 0.000 . . . . . . A 104 LYS N . 34605 1 1171 . 1 . 1 108 108 LEU H H 1 9.076 0.000 . . . . . . A 105 LEU H . 34605 1 1172 . 1 . 1 108 108 LEU HA H 1 4.106 0.000 . . . . . . A 105 LEU HA . 34605 1 1173 . 1 . 1 108 108 LEU HB2 H 1 1.579 0.000 . . . . . . A 105 LEU HB2 . 34605 1 1174 . 1 . 1 108 108 LEU HB3 H 1 2.325 0.000 . . . . . . A 105 LEU HB3 . 34605 1 1175 . 1 . 1 108 108 LEU HG H 1 1.939 0.000 . . . . . . A 105 LEU HG . 34605 1 1176 . 1 . 1 108 108 LEU HD11 H 1 0.790 0.000 . . . . . . A 105 LEU HD11 . 34605 1 1177 . 1 . 1 108 108 LEU HD12 H 1 0.790 0.000 . . . . . . A 105 LEU HD12 . 34605 1 1178 . 1 . 1 108 108 LEU HD13 H 1 0.790 0.000 . . . . . . A 105 LEU HD13 . 34605 1 1179 . 1 . 1 108 108 LEU HD21 H 1 0.777 0.000 . . . . . . A 105 LEU HD21 . 34605 1 1180 . 1 . 1 108 108 LEU HD22 H 1 0.777 0.000 . . . . . . A 105 LEU HD22 . 34605 1 1181 . 1 . 1 108 108 LEU HD23 H 1 0.777 0.000 . . . . . . A 105 LEU HD23 . 34605 1 1182 . 1 . 1 108 108 LEU CA C 13 58.412 0.000 . . . . . . A 105 LEU CA . 34605 1 1183 . 1 . 1 108 108 LEU CB C 13 42.261 0.000 . . . . . . A 105 LEU CB . 34605 1 1184 . 1 . 1 108 108 LEU CG C 13 26.995 0.000 . . . . . . A 105 LEU CG . 34605 1 1185 . 1 . 1 108 108 LEU CD1 C 13 23.851 0.000 . . . . . . A 105 LEU CD1 . 34605 1 1186 . 1 . 1 108 108 LEU CD2 C 13 25.654 0.000 . . . . . . A 105 LEU CD2 . 34605 1 1187 . 1 . 1 108 108 LEU N N 15 118.675 0.000 . . . . . . A 105 LEU N . 34605 1 1188 . 1 . 1 109 109 SER H H 1 8.098 0.000 . . . . . . A 106 SER H . 34605 1 1189 . 1 . 1 109 109 SER HA H 1 3.846 0.000 . . . . . . A 106 SER HA . 34605 1 1190 . 1 . 1 109 109 SER HB2 H 1 3.701 0.000 . . . . . . A 106 SER HB2 . 34605 1 1191 . 1 . 1 109 109 SER HB3 H 1 3.811 0.000 . . . . . . A 106 SER HB3 . 34605 1 1192 . 1 . 1 109 109 SER CA C 13 61.194 0.000 . . . . . . A 106 SER CA . 34605 1 1193 . 1 . 1 109 109 SER CB C 13 62.601 0.000 . . . . . . A 106 SER CB . 34605 1 1194 . 1 . 1 109 109 SER N N 15 112.043 0.000 . . . . . . A 106 SER N . 34605 1 1195 . 1 . 1 110 110 ASP H H 1 8.562 0.000 . . . . . . A 107 ASP H . 34605 1 1196 . 1 . 1 110 110 ASP HA H 1 4.466 0.000 . . . . . . A 107 ASP HA . 34605 1 1197 . 1 . 1 110 110 ASP HB2 H 1 2.976 0.000 . . . . . . A 107 ASP HB2 . 34605 1 1198 . 1 . 1 110 110 ASP HB3 H 1 2.729 0.000 . . . . . . A 107 ASP HB3 . 34605 1 1199 . 1 . 1 110 110 ASP CA C 13 57.870 0.000 . . . . . . A 107 ASP CA . 34605 1 1200 . 1 . 1 110 110 ASP CB C 13 40.433 0.000 . . . . . . A 107 ASP CB . 34605 1 1201 . 1 . 1 110 110 ASP N N 15 121.991 0.000 . . . . . . A 107 ASP N . 34605 1 1202 . 1 . 1 111 111 VAL H H 1 8.914 0.000 . . . . . . A 108 VAL H . 34605 1 1203 . 1 . 1 111 111 VAL HA H 1 4.081 0.000 . . . . . . A 108 VAL HA . 34605 1 1204 . 1 . 1 111 111 VAL HB H 1 2.382 0.000 . . . . . . A 108 VAL HB . 34605 1 1205 . 1 . 1 111 111 VAL HG11 H 1 1.193 0.000 . . . . . . A 108 VAL HG11 . 34605 1 1206 . 1 . 1 111 111 VAL HG12 H 1 1.193 0.000 . . . . . . A 108 VAL HG12 . 34605 1 1207 . 1 . 1 111 111 VAL HG13 H 1 1.193 0.000 . . . . . . A 108 VAL HG13 . 34605 1 1208 . 1 . 1 111 111 VAL HG21 H 1 1.278 0.000 . . . . . . A 108 VAL HG21 . 34605 1 1209 . 1 . 1 111 111 VAL HG22 H 1 1.278 0.000 . . . . . . A 108 VAL HG22 . 34605 1 1210 . 1 . 1 111 111 VAL HG23 H 1 1.278 0.000 . . . . . . A 108 VAL HG23 . 34605 1 1211 . 1 . 1 111 111 VAL CA C 13 65.544 0.000 . . . . . . A 108 VAL CA . 34605 1 1212 . 1 . 1 111 111 VAL CB C 13 31.208 0.000 . . . . . . A 108 VAL CB . 34605 1 1213 . 1 . 1 111 111 VAL CG1 C 13 22.053 0.000 . . . . . . A 108 VAL CG1 . 34605 1 1214 . 1 . 1 111 111 VAL CG2 C 13 23.317 0.000 . . . . . . A 108 VAL CG2 . 34605 1 1215 . 1 . 1 111 111 VAL N N 15 119.169 0.000 . . . . . . A 108 VAL N . 34605 1 1216 . 1 . 1 112 112 TRP H H 1 8.803 0.000 . . . . . . A 109 TRP H . 34605 1 1217 . 1 . 1 112 112 TRP HA H 1 4.384 0.000 . . . . . . A 109 TRP HA . 34605 1 1218 . 1 . 1 112 112 TRP HB2 H 1 3.447 0.000 . . . . . . A 109 TRP HB2 . 34605 1 1219 . 1 . 1 112 112 TRP HB3 H 1 3.326 0.000 . . . . . . A 109 TRP HB3 . 34605 1 1220 . 1 . 1 112 112 TRP HD1 H 1 6.994 0.000 . . . . . . A 109 TRP HD1 . 34605 1 1221 . 1 . 1 112 112 TRP HE1 H 1 9.936 0.000 . . . . . . A 109 TRP HE1 . 34605 1 1222 . 1 . 1 112 112 TRP HE3 H 1 6.967 0.000 . . . . . . A 109 TRP HE3 . 34605 1 1223 . 1 . 1 112 112 TRP HZ2 H 1 7.352 0.000 . . . . . . A 109 TRP HZ2 . 34605 1 1224 . 1 . 1 112 112 TRP HZ3 H 1 6.555 0.000 . . . . . . A 109 TRP HZ3 . 34605 1 1225 . 1 . 1 112 112 TRP HH2 H 1 6.952 0.000 . . . . . . A 109 TRP HH2 . 34605 1 1226 . 1 . 1 112 112 TRP CA C 13 60.004 0.000 . . . . . . A 109 TRP CA . 34605 1 1227 . 1 . 1 112 112 TRP CB C 13 29.325 0.000 . . . . . . A 109 TRP CB . 34605 1 1228 . 1 . 1 112 112 TRP CD1 C 13 126.472 0.000 . . . . . . A 109 TRP CD1 . 34605 1 1229 . 1 . 1 112 112 TRP CE3 C 13 120.311 0.000 . . . . . . A 109 TRP CE3 . 34605 1 1230 . 1 . 1 112 112 TRP CZ2 C 13 113.950 0.000 . . . . . . A 109 TRP CZ2 . 34605 1 1231 . 1 . 1 112 112 TRP CZ3 C 13 122.230 0.000 . . . . . . A 109 TRP CZ3 . 34605 1 1232 . 1 . 1 112 112 TRP CH2 C 13 124.839 0.000 . . . . . . A 109 TRP CH2 . 34605 1 1233 . 1 . 1 112 112 TRP N N 15 122.313 0.000 . . . . . . A 109 TRP N . 34605 1 1234 . 1 . 1 112 112 TRP NE1 N 15 127.430 0.000 . . . . . . A 109 TRP NE1 . 34605 1 1235 . 1 . 1 113 113 LYS H H 1 8.055 0.000 . . . . . . A 110 LYS H . 34605 1 1236 . 1 . 1 113 113 LYS HA H 1 3.714 0.000 . . . . . . A 110 LYS HA . 34605 1 1237 . 1 . 1 113 113 LYS HB2 H 1 2.008 0.000 . . . . . . A 110 LYS HB2 . 34605 1 1238 . 1 . 1 113 113 LYS HB3 H 1 1.962 0.000 . . . . . . A 110 LYS HB3 . 34605 1 1239 . 1 . 1 113 113 LYS HG2 H 1 1.426 0.000 . . . . . . A 110 LYS HG2 . 34605 1 1240 . 1 . 1 113 113 LYS HG3 H 1 1.641 0.000 . . . . . . A 110 LYS HG3 . 34605 1 1241 . 1 . 1 113 113 LYS HD2 H 1 1.715 0.000 . . . . . . A 110 LYS HD2 . 34605 1 1242 . 1 . 1 113 113 LYS HD3 H 1 1.715 0.000 . . . . . . A 110 LYS HD3 . 34605 1 1243 . 1 . 1 113 113 LYS HE2 H 1 2.953 0.000 . . . . . . A 110 LYS HE2 . 34605 1 1244 . 1 . 1 113 113 LYS HE3 H 1 2.953 0.000 . . . . . . A 110 LYS HE3 . 34605 1 1245 . 1 . 1 113 113 LYS CA C 13 60.470 0.000 . . . . . . A 110 LYS CA . 34605 1 1246 . 1 . 1 113 113 LYS CB C 13 32.048 0.000 . . . . . . A 110 LYS CB . 34605 1 1247 . 1 . 1 113 113 LYS CG C 13 25.050 0.000 . . . . . . A 110 LYS CG . 34605 1 1248 . 1 . 1 113 113 LYS CD C 13 29.399 0.000 . . . . . . A 110 LYS CD . 34605 1 1249 . 1 . 1 113 113 LYS CE C 13 41.771 0.000 . . . . . . A 110 LYS CE . 34605 1 1250 . 1 . 1 113 113 LYS N N 15 119.820 0.000 . . . . . . A 110 LYS N . 34605 1 1251 . 1 . 1 114 114 GLU H H 1 7.043 0.000 . . . . . . A 111 GLU H . 34605 1 1252 . 1 . 1 114 114 GLU HA H 1 4.072 0.000 . . . . . . A 111 GLU HA . 34605 1 1253 . 1 . 1 114 114 GLU HB2 H 1 2.097 0.000 . . . . . . A 111 GLU HB2 . 34605 1 1254 . 1 . 1 114 114 GLU HB3 H 1 2.097 0.000 . . . . . . A 111 GLU HB3 . 34605 1 1255 . 1 . 1 114 114 GLU HG2 H 1 2.363 0.000 . . . . . . A 111 GLU HG2 . 34605 1 1256 . 1 . 1 114 114 GLU HG3 H 1 2.161 0.000 . . . . . . A 111 GLU HG3 . 34605 1 1257 . 1 . 1 114 114 GLU CA C 13 58.650 0.000 . . . . . . A 111 GLU CA . 34605 1 1258 . 1 . 1 114 114 GLU CB C 13 30.145 0.000 . . . . . . A 111 GLU CB . 34605 1 1259 . 1 . 1 114 114 GLU CG C 13 36.108 0.000 . . . . . . A 111 GLU CG . 34605 1 1260 . 1 . 1 114 114 GLU N N 15 116.591 0.000 . . . . . . A 111 GLU N . 34605 1 1261 . 1 . 1 115 115 LEU H H 1 8.553 0.000 . . . . . . A 112 LEU H . 34605 1 1262 . 1 . 1 115 115 LEU HA H 1 3.796 0.000 . . . . . . A 112 LEU HA . 34605 1 1263 . 1 . 1 115 115 LEU HB2 H 1 1.289 0.000 . . . . . . A 112 LEU HB2 . 34605 1 1264 . 1 . 1 115 115 LEU HB3 H 1 1.440 0.000 . . . . . . A 112 LEU HB3 . 34605 1 1265 . 1 . 1 115 115 LEU HG H 1 1.171 0.000 . . . . . . A 112 LEU HG . 34605 1 1266 . 1 . 1 115 115 LEU HD11 H 1 0.586 0.000 . . . . . . A 112 LEU HD11 . 34605 1 1267 . 1 . 1 115 115 LEU HD12 H 1 0.586 0.000 . . . . . . A 112 LEU HD12 . 34605 1 1268 . 1 . 1 115 115 LEU HD13 H 1 0.586 0.000 . . . . . . A 112 LEU HD13 . 34605 1 1269 . 1 . 1 115 115 LEU HD21 H 1 0.732 0.000 . . . . . . A 112 LEU HD21 . 34605 1 1270 . 1 . 1 115 115 LEU HD22 H 1 0.732 0.000 . . . . . . A 112 LEU HD22 . 34605 1 1271 . 1 . 1 115 115 LEU HD23 H 1 0.732 0.000 . . . . . . A 112 LEU HD23 . 34605 1 1272 . 1 . 1 115 115 LEU CA C 13 58.150 0.000 . . . . . . A 112 LEU CA . 34605 1 1273 . 1 . 1 115 115 LEU CB C 13 42.798 0.000 . . . . . . A 112 LEU CB . 34605 1 1274 . 1 . 1 115 115 LEU CG C 13 26.703 0.000 . . . . . . A 112 LEU CG . 34605 1 1275 . 1 . 1 115 115 LEU CD1 C 13 26.149 0.000 . . . . . . A 112 LEU CD1 . 34605 1 1276 . 1 . 1 115 115 LEU CD2 C 13 24.065 0.000 . . . . . . A 112 LEU CD2 . 34605 1 1277 . 1 . 1 115 115 LEU N N 15 119.595 0.000 . . . . . . A 112 LEU N . 34605 1 1278 . 1 . 1 116 116 SER H H 1 8.567 0.000 . . . . . . A 113 SER H . 34605 1 1279 . 1 . 1 116 116 SER HA H 1 3.211 0.000 . . . . . . A 113 SER HA . 34605 1 1280 . 1 . 1 116 116 SER HB2 H 1 3.013 0.000 . . . . . . A 113 SER HB2 . 34605 1 1281 . 1 . 1 116 116 SER HB3 H 1 2.571 0.000 . . . . . . A 113 SER HB3 . 34605 1 1282 . 1 . 1 116 116 SER CA C 13 61.490 0.000 . . . . . . A 113 SER CA . 34605 1 1283 . 1 . 1 116 116 SER CB C 13 61.630 0.000 . . . . . . A 113 SER CB . 34605 1 1284 . 1 . 1 116 116 SER N N 15 113.145 0.000 . . . . . . A 113 SER N . 34605 1 1285 . 1 . 1 117 117 LEU H H 1 6.771 0.000 . . . . . . A 114 LEU H . 34605 1 1286 . 1 . 1 117 117 LEU HA H 1 4.062 0.000 . . . . . . A 114 LEU HA . 34605 1 1287 . 1 . 1 117 117 LEU HB2 H 1 1.675 0.000 . . . . . . A 114 LEU HB2 . 34605 1 1288 . 1 . 1 117 117 LEU HB3 H 1 1.675 0.000 . . . . . . A 114 LEU HB3 . 34605 1 1289 . 1 . 1 117 117 LEU HG H 1 1.685 0.000 . . . . . . A 114 LEU HG . 34605 1 1290 . 1 . 1 117 117 LEU HD11 H 1 0.907 0.000 . . . . . . A 114 LEU HD11 . 34605 1 1291 . 1 . 1 117 117 LEU HD12 H 1 0.907 0.000 . . . . . . A 114 LEU HD12 . 34605 1 1292 . 1 . 1 117 117 LEU HD13 H 1 0.907 0.000 . . . . . . A 114 LEU HD13 . 34605 1 1293 . 1 . 1 117 117 LEU HD21 H 1 0.875 0.000 . . . . . . A 114 LEU HD21 . 34605 1 1294 . 1 . 1 117 117 LEU HD22 H 1 0.875 0.000 . . . . . . A 114 LEU HD22 . 34605 1 1295 . 1 . 1 117 117 LEU HD23 H 1 0.875 0.000 . . . . . . A 114 LEU HD23 . 34605 1 1296 . 1 . 1 117 117 LEU CA C 13 58.109 0.000 . . . . . . A 114 LEU CA . 34605 1 1297 . 1 . 1 117 117 LEU CB C 13 41.672 0.000 . . . . . . A 114 LEU CB . 34605 1 1298 . 1 . 1 117 117 LEU CG C 13 26.875 0.000 . . . . . . A 114 LEU CG . 34605 1 1299 . 1 . 1 117 117 LEU CD1 C 13 24.267 0.000 . . . . . . A 114 LEU CD1 . 34605 1 1300 . 1 . 1 117 117 LEU CD2 C 13 24.199 0.000 . . . . . . A 114 LEU CD2 . 34605 1 1301 . 1 . 1 117 117 LEU N N 15 121.570 0.000 . . . . . . A 114 LEU N . 34605 1 1302 . 1 . 1 118 118 LEU H H 1 7.274 0.000 . . . . . . A 115 LEU H . 34605 1 1303 . 1 . 1 118 118 LEU HA H 1 4.107 0.000 . . . . . . A 115 LEU HA . 34605 1 1304 . 1 . 1 118 118 LEU HB2 H 1 1.292 0.000 . . . . . . A 115 LEU HB2 . 34605 1 1305 . 1 . 1 118 118 LEU HB3 H 1 1.888 0.000 . . . . . . A 115 LEU HB3 . 34605 1 1306 . 1 . 1 118 118 LEU HG H 1 1.774 0.000 . . . . . . A 115 LEU HG . 34605 1 1307 . 1 . 1 118 118 LEU HD11 H 1 0.749 0.000 . . . . . . A 115 LEU HD11 . 34605 1 1308 . 1 . 1 118 118 LEU HD12 H 1 0.749 0.000 . . . . . . A 115 LEU HD12 . 34605 1 1309 . 1 . 1 118 118 LEU HD13 H 1 0.749 0.000 . . . . . . A 115 LEU HD13 . 34605 1 1310 . 1 . 1 118 118 LEU HD21 H 1 0.817 0.000 . . . . . . A 115 LEU HD21 . 34605 1 1311 . 1 . 1 118 118 LEU HD22 H 1 0.817 0.000 . . . . . . A 115 LEU HD22 . 34605 1 1312 . 1 . 1 118 118 LEU HD23 H 1 0.817 0.000 . . . . . . A 115 LEU HD23 . 34605 1 1313 . 1 . 1 118 118 LEU CA C 13 57.844 0.000 . . . . . . A 115 LEU CA . 34605 1 1314 . 1 . 1 118 118 LEU CB C 13 43.084 0.000 . . . . . . A 115 LEU CB . 34605 1 1315 . 1 . 1 118 118 LEU CG C 13 26.900 0.000 . . . . . . A 115 LEU CG . 34605 1 1316 . 1 . 1 118 118 LEU CD1 C 13 26.901 0.000 . . . . . . A 115 LEU CD1 . 34605 1 1317 . 1 . 1 118 118 LEU CD2 C 13 22.954 0.000 . . . . . . A 115 LEU CD2 . 34605 1 1318 . 1 . 1 118 118 LEU N N 15 118.200 0.000 . . . . . . A 115 LEU N . 34605 1 1319 . 1 . 1 119 119 LEU H H 1 8.560 0.000 . . . . . . A 116 LEU H . 34605 1 1320 . 1 . 1 119 119 LEU HA H 1 3.828 0.000 . . . . . . A 116 LEU HA . 34605 1 1321 . 1 . 1 119 119 LEU HB2 H 1 1.403 0.000 . . . . . . A 116 LEU HB2 . 34605 1 1322 . 1 . 1 119 119 LEU HB3 H 1 1.917 0.000 . . . . . . A 116 LEU HB3 . 34605 1 1323 . 1 . 1 119 119 LEU HG H 1 1.694 0.000 . . . . . . A 116 LEU HG . 34605 1 1324 . 1 . 1 119 119 LEU HD11 H 1 0.647 0.000 . . . . . . A 116 LEU HD11 . 34605 1 1325 . 1 . 1 119 119 LEU HD12 H 1 0.647 0.000 . . . . . . A 116 LEU HD12 . 34605 1 1326 . 1 . 1 119 119 LEU HD13 H 1 0.647 0.000 . . . . . . A 116 LEU HD13 . 34605 1 1327 . 1 . 1 119 119 LEU HD21 H 1 0.765 0.000 . . . . . . A 116 LEU HD21 . 34605 1 1328 . 1 . 1 119 119 LEU HD22 H 1 0.765 0.000 . . . . . . A 116 LEU HD22 . 34605 1 1329 . 1 . 1 119 119 LEU HD23 H 1 0.765 0.000 . . . . . . A 116 LEU HD23 . 34605 1 1330 . 1 . 1 119 119 LEU CA C 13 57.791 0.000 . . . . . . A 116 LEU CA . 34605 1 1331 . 1 . 1 119 119 LEU CB C 13 41.352 0.000 . . . . . . A 116 LEU CB . 34605 1 1332 . 1 . 1 119 119 LEU CG C 13 26.548 0.000 . . . . . . A 116 LEU CG . 34605 1 1333 . 1 . 1 119 119 LEU CD1 C 13 26.289 0.000 . . . . . . A 116 LEU CD1 . 34605 1 1334 . 1 . 1 119 119 LEU CD2 C 13 23.872 0.000 . . . . . . A 116 LEU CD2 . 34605 1 1335 . 1 . 1 119 119 LEU N N 15 118.904 0.000 . . . . . . A 116 LEU N . 34605 1 1336 . 1 . 1 120 120 GLN H H 1 8.126 0.000 . . . . . . A 117 GLN H . 34605 1 1337 . 1 . 1 120 120 GLN HA H 1 4.391 0.000 . . . . . . A 117 GLN HA . 34605 1 1338 . 1 . 1 120 120 GLN HB2 H 1 2.170 0.000 . . . . . . A 117 GLN HB2 . 34605 1 1339 . 1 . 1 120 120 GLN HB3 H 1 2.275 0.000 . . . . . . A 117 GLN HB3 . 34605 1 1340 . 1 . 1 120 120 GLN HG2 H 1 2.512 0.000 . . . . . . A 117 GLN HG2 . 34605 1 1341 . 1 . 1 120 120 GLN HG3 H 1 2.306 0.000 . . . . . . A 117 GLN HG3 . 34605 1 1342 . 1 . 1 120 120 GLN HE21 H 1 6.850 0.000 . . . . . . A 117 GLN HE21 . 34605 1 1343 . 1 . 1 120 120 GLN HE22 H 1 7.272 0.000 . . . . . . A 117 GLN HE22 . 34605 1 1344 . 1 . 1 120 120 GLN CA C 13 58.627 0.000 . . . . . . A 117 GLN CA . 34605 1 1345 . 1 . 1 120 120 GLN CB C 13 28.466 0.000 . . . . . . A 117 GLN CB . 34605 1 1346 . 1 . 1 120 120 GLN CG C 13 34.016 0.000 . . . . . . A 117 GLN CG . 34605 1 1347 . 1 . 1 120 120 GLN N N 15 119.505 0.000 . . . . . . A 117 GLN N . 34605 1 1348 . 1 . 1 120 120 GLN NE2 N 15 110.951 0.013 . . . . . . A 117 GLN NE2 . 34605 1 1349 . 1 . 1 121 121 VAL H H 1 8.209 0.000 . . . . . . A 118 VAL H . 34605 1 1350 . 1 . 1 121 121 VAL HA H 1 3.846 0.000 . . . . . . A 118 VAL HA . 34605 1 1351 . 1 . 1 121 121 VAL HB H 1 2.104 0.000 . . . . . . A 118 VAL HB . 34605 1 1352 . 1 . 1 121 121 VAL HG11 H 1 0.995 0.000 . . . . . . A 118 VAL HG11 . 34605 1 1353 . 1 . 1 121 121 VAL HG12 H 1 0.995 0.000 . . . . . . A 118 VAL HG12 . 34605 1 1354 . 1 . 1 121 121 VAL HG13 H 1 0.995 0.000 . . . . . . A 118 VAL HG13 . 34605 1 1355 . 1 . 1 121 121 VAL HG21 H 1 1.102 0.000 . . . . . . A 118 VAL HG21 . 34605 1 1356 . 1 . 1 121 121 VAL HG22 H 1 1.102 0.000 . . . . . . A 118 VAL HG22 . 34605 1 1357 . 1 . 1 121 121 VAL HG23 H 1 1.102 0.000 . . . . . . A 118 VAL HG23 . 34605 1 1358 . 1 . 1 121 121 VAL CA C 13 65.525 0.000 . . . . . . A 118 VAL CA . 34605 1 1359 . 1 . 1 121 121 VAL CB C 13 32.763 0.000 . . . . . . A 118 VAL CB . 34605 1 1360 . 1 . 1 121 121 VAL CG1 C 13 21.119 0.000 . . . . . . A 118 VAL CG1 . 34605 1 1361 . 1 . 1 121 121 VAL CG2 C 13 22.160 0.000 . . . . . . A 118 VAL CG2 . 34605 1 1362 . 1 . 1 121 121 VAL N N 15 117.743 0.000 . . . . . . A 118 VAL N . 34605 1 1363 . 1 . 1 122 122 GLU H H 1 8.749 0.000 . . . . . . A 119 GLU H . 34605 1 1364 . 1 . 1 122 122 GLU HA H 1 4.324 0.000 . . . . . . A 119 GLU HA . 34605 1 1365 . 1 . 1 122 122 GLU HG2 H 1 2.194 0.000 . . . . . . A 119 GLU HG2 . 34605 1 1366 . 1 . 1 122 122 GLU HG3 H 1 2.497 0.000 . . . . . . A 119 GLU HG3 . 34605 1 1367 . 1 . 1 122 122 GLU CA C 13 58.109 0.000 . . . . . . A 119 GLU CA . 34605 1 1368 . 1 . 1 122 122 GLU CB C 13 30.481 0.000 . . . . . . A 119 GLU CB . 34605 1 1369 . 1 . 1 122 122 GLU CG C 13 37.003 0.000 . . . . . . A 119 GLU CG . 34605 1 1370 . 1 . 1 122 122 GLU N N 15 116.727 0.000 . . . . . . A 119 GLU N . 34605 1 1371 . 1 . 1 123 123 GLN HE21 H 1 7.021 0.000 . . . . . . A 120 GLN HE21 . 34605 1 1372 . 1 . 1 123 123 GLN HE22 H 1 7.629 0.000 . . . . . . A 120 GLN HE22 . 34605 1 1373 . 1 . 1 123 123 GLN NE2 N 15 112.305 0.015 . . . . . . A 120 GLN NE2 . 34605 1 1374 . 1 . 1 124 124 ARG HA H 1 4.115 0.000 . . . . . . A 121 ARG HA . 34605 1 1375 . 1 . 1 124 124 ARG HG2 H 1 1.550 0.000 . . . . . . A 121 ARG HG2 . 34605 1 1376 . 1 . 1 124 124 ARG HG3 H 1 1.926 0.000 . . . . . . A 121 ARG HG3 . 34605 1 1377 . 1 . 1 124 124 ARG HD2 H 1 3.213 0.000 . . . . . . A 121 ARG HD2 . 34605 1 1378 . 1 . 1 124 124 ARG HD3 H 1 3.213 0.000 . . . . . . A 121 ARG HD3 . 34605 1 1379 . 1 . 1 124 124 ARG CA C 13 56.636 0.000 . . . . . . A 121 ARG CA . 34605 1 1380 . 1 . 1 124 124 ARG CG C 13 27.345 0.000 . . . . . . A 121 ARG CG . 34605 1 1381 . 1 . 1 124 124 ARG CD C 13 43.095 0.000 . . . . . . A 121 ARG CD . 34605 1 1382 . 1 . 1 125 125 MET H H 1 7.912 0.000 . . . . . . A 122 MET H . 34605 1 1383 . 1 . 1 125 125 MET HA H 1 4.611 0.000 . . . . . . A 122 MET HA . 34605 1 1384 . 1 . 1 125 125 MET HB2 H 1 1.659 0.000 . . . . . . A 122 MET HB2 . 34605 1 1385 . 1 . 1 125 125 MET HB3 H 1 1.799 0.000 . . . . . . A 122 MET HB3 . 34605 1 1386 . 1 . 1 125 125 MET HG2 H 1 2.638 0.000 . . . . . . A 122 MET HG2 . 34605 1 1387 . 1 . 1 125 125 MET HG3 H 1 2.638 0.000 . . . . . . A 122 MET HG3 . 34605 1 1388 . 1 . 1 125 125 MET HE1 H 1 2.094 0.000 . . . . . . A 122 MET HE1 . 34605 1 1389 . 1 . 1 125 125 MET HE2 H 1 2.094 0.000 . . . . . . A 122 MET HE2 . 34605 1 1390 . 1 . 1 125 125 MET HE3 H 1 2.094 0.000 . . . . . . A 122 MET HE3 . 34605 1 1391 . 1 . 1 125 125 MET CA C 13 53.912 0.000 . . . . . . A 122 MET CA . 34605 1 1392 . 1 . 1 125 125 MET CB C 13 34.322 0.000 . . . . . . A 122 MET CB . 34605 1 1393 . 1 . 1 125 125 MET CG C 13 31.618 0.000 . . . . . . A 122 MET CG . 34605 1 1394 . 1 . 1 125 125 MET CE C 13 17.771 0.000 . . . . . . A 122 MET CE . 34605 1 1395 . 1 . 1 125 125 MET N N 15 121.116 0.000 . . . . . . A 122 MET N . 34605 1 1396 . 1 . 1 126 126 PRO HA H 1 4.482 0.000 . . . . . . A 123 PRO HA . 34605 1 1397 . 1 . 1 126 126 PRO HB2 H 1 2.240 0.000 . . . . . . A 123 PRO HB2 . 34605 1 1398 . 1 . 1 126 126 PRO HB3 H 1 1.935 0.000 . . . . . . A 123 PRO HB3 . 34605 1 1399 . 1 . 1 126 126 PRO HG2 H 1 2.018 0.000 . . . . . . A 123 PRO HG2 . 34605 1 1400 . 1 . 1 126 126 PRO HG3 H 1 2.074 0.000 . . . . . . A 123 PRO HG3 . 34605 1 1401 . 1 . 1 126 126 PRO HD2 H 1 3.935 0.000 . . . . . . A 123 PRO HD2 . 34605 1 1402 . 1 . 1 126 126 PRO HD3 H 1 3.686 0.000 . . . . . . A 123 PRO HD3 . 34605 1 1403 . 1 . 1 126 126 PRO CA C 13 62.811 0.000 . . . . . . A 123 PRO CA . 34605 1 1404 . 1 . 1 126 126 PRO CB C 13 31.409 0.000 . . . . . . A 123 PRO CB . 34605 1 1405 . 1 . 1 126 126 PRO CG C 13 27.600 0.000 . . . . . . A 123 PRO CG . 34605 1 1406 . 1 . 1 126 126 PRO CD C 13 50.831 0.000 . . . . . . A 123 PRO CD . 34605 1 1407 . 1 . 1 127 127 VAL H H 1 8.217 0.000 . . . . . . A 124 VAL H . 34605 1 1408 . 1 . 1 127 127 VAL HA H 1 4.057 0.000 . . . . . . A 124 VAL HA . 34605 1 1409 . 1 . 1 127 127 VAL HB H 1 2.005 0.000 . . . . . . A 124 VAL HB . 34605 1 1410 . 1 . 1 127 127 VAL HG11 H 1 0.895 0.000 . . . . . . A 124 VAL HG11 . 34605 1 1411 . 1 . 1 127 127 VAL HG12 H 1 0.895 0.000 . . . . . . A 124 VAL HG12 . 34605 1 1412 . 1 . 1 127 127 VAL HG13 H 1 0.895 0.000 . . . . . . A 124 VAL HG13 . 34605 1 1413 . 1 . 1 127 127 VAL HG21 H 1 0.901 0.000 . . . . . . A 124 VAL HG21 . 34605 1 1414 . 1 . 1 127 127 VAL HG22 H 1 0.901 0.000 . . . . . . A 124 VAL HG22 . 34605 1 1415 . 1 . 1 127 127 VAL HG23 H 1 0.901 0.000 . . . . . . A 124 VAL HG23 . 34605 1 1416 . 1 . 1 127 127 VAL CA C 13 62.164 0.000 . . . . . . A 124 VAL CA . 34605 1 1417 . 1 . 1 127 127 VAL CB C 13 32.912 0.000 . . . . . . A 124 VAL CB . 34605 1 1418 . 1 . 1 127 127 VAL CG1 C 13 21.337 0.000 . . . . . . A 124 VAL CG1 . 34605 1 1419 . 1 . 1 127 127 VAL CG2 C 13 20.792 0.000 . . . . . . A 124 VAL CG2 . 34605 1 1420 . 1 . 1 127 127 VAL N N 15 120.522 0.000 . . . . . . A 124 VAL N . 34605 1 1421 . 1 . 1 128 128 SER H H 1 8.486 0.000 . . . . . . A 125 SER H . 34605 1 1422 . 1 . 1 128 128 SER HA H 1 4.833 0.000 . . . . . . A 125 SER HA . 34605 1 1423 . 1 . 1 128 128 SER HB2 H 1 3.917 0.000 . . . . . . A 125 SER HB2 . 34605 1 1424 . 1 . 1 128 128 SER HB3 H 1 3.917 0.000 . . . . . . A 125 SER HB3 . 34605 1 1425 . 1 . 1 128 128 SER CA C 13 56.155 0.000 . . . . . . A 125 SER CA . 34605 1 1426 . 1 . 1 128 128 SER CB C 13 63.683 0.000 . . . . . . A 125 SER CB . 34605 1 1427 . 1 . 1 128 128 SER N N 15 121.903 0.000 . . . . . . A 125 SER N . 34605 1 1428 . 1 . 1 129 129 PRO HA H 1 4.508 0.000 . . . . . . A 126 PRO HA . 34605 1 1429 . 1 . 1 129 129 PRO HB2 H 1 2.290 0.000 . . . . . . A 126 PRO HB2 . 34605 1 1430 . 1 . 1 129 129 PRO HB3 H 1 1.961 0.000 . . . . . . A 126 PRO HB3 . 34605 1 1431 . 1 . 1 129 129 PRO HG2 H 1 2.010 0.000 . . . . . . A 126 PRO HG2 . 34605 1 1432 . 1 . 1 129 129 PRO HG3 H 1 2.010 0.000 . . . . . . A 126 PRO HG3 . 34605 1 1433 . 1 . 1 129 129 PRO HD2 H 1 3.850 0.000 . . . . . . A 126 PRO HD2 . 34605 1 1434 . 1 . 1 129 129 PRO HD3 H 1 3.803 0.000 . . . . . . A 126 PRO HD3 . 34605 1 1435 . 1 . 1 129 129 PRO CA C 13 63.582 0.000 . . . . . . A 126 PRO CA . 34605 1 1436 . 1 . 1 129 129 PRO CB C 13 31.882 0.000 . . . . . . A 126 PRO CB . 34605 1 1437 . 1 . 1 129 129 PRO CG C 13 27.357 0.000 . . . . . . A 126 PRO CG . 34605 1 1438 . 1 . 1 129 129 PRO CD C 13 50.883 0.000 . . . . . . A 126 PRO CD . 34605 1 1439 . 1 . 1 130 130 ILE H H 1 8.116 0.000 . . . . . . A 127 ILE H . 34605 1 1440 . 1 . 1 130 130 ILE HA H 1 4.166 0.000 . . . . . . A 127 ILE HA . 34605 1 1441 . 1 . 1 130 130 ILE HB H 1 1.840 0.000 . . . . . . A 127 ILE HB . 34605 1 1442 . 1 . 1 130 130 ILE HG12 H 1 1.146 0.000 . . . . . . A 127 ILE HG12 . 34605 1 1443 . 1 . 1 130 130 ILE HG13 H 1 1.416 0.000 . . . . . . A 127 ILE HG13 . 34605 1 1444 . 1 . 1 130 130 ILE HG21 H 1 0.868 0.000 . . . . . . A 127 ILE HG21 . 34605 1 1445 . 1 . 1 130 130 ILE HG22 H 1 0.868 0.000 . . . . . . A 127 ILE HG22 . 34605 1 1446 . 1 . 1 130 130 ILE HG23 H 1 0.868 0.000 . . . . . . A 127 ILE HG23 . 34605 1 1447 . 1 . 1 130 130 ILE HD11 H 1 0.778 0.000 . . . . . . A 127 ILE HD11 . 34605 1 1448 . 1 . 1 130 130 ILE HD12 H 1 0.778 0.000 . . . . . . A 127 ILE HD12 . 34605 1 1449 . 1 . 1 130 130 ILE HD13 H 1 0.778 0.000 . . . . . . A 127 ILE HD13 . 34605 1 1450 . 1 . 1 130 130 ILE CA C 13 61.221 0.000 . . . . . . A 127 ILE CA . 34605 1 1451 . 1 . 1 130 130 ILE CB C 13 38.574 0.000 . . . . . . A 127 ILE CB . 34605 1 1452 . 1 . 1 130 130 ILE CG1 C 13 27.406 0.000 . . . . . . A 127 ILE CG1 . 34605 1 1453 . 1 . 1 130 130 ILE CG2 C 13 17.521 0.000 . . . . . . A 127 ILE CG2 . 34605 1 1454 . 1 . 1 130 130 ILE CD1 C 13 13.070 0.000 . . . . . . A 127 ILE CD1 . 34605 1 1455 . 1 . 1 130 130 ILE N N 15 120.243 0.000 . . . . . . A 127 ILE N . 34605 1 1456 . 1 . 1 131 131 SER H H 1 8.363 0.000 . . . . . . A 128 SER H . 34605 1 1457 . 1 . 1 131 131 SER HA H 1 4.433 0.000 . . . . . . A 128 SER HA . 34605 1 1458 . 1 . 1 131 131 SER HB2 H 1 3.866 0.000 . . . . . . A 128 SER HB2 . 34605 1 1459 . 1 . 1 131 131 SER HB3 H 1 3.866 0.000 . . . . . . A 128 SER HB3 . 34605 1 1460 . 1 . 1 131 131 SER CA C 13 58.131 0.000 . . . . . . A 128 SER CA . 34605 1 1461 . 1 . 1 131 131 SER CB C 13 63.499 0.000 . . . . . . A 128 SER CB . 34605 1 1462 . 1 . 1 131 131 SER N N 15 119.443 0.000 . . . . . . A 128 SER N . 34605 1 1463 . 1 . 1 132 132 GLN H H 1 8.468 0.000 . . . . . . A 129 GLN H . 34605 1 1464 . 1 . 1 132 132 GLN HA H 1 4.252 0.000 . . . . . . A 129 GLN HA . 34605 1 1465 . 1 . 1 132 132 GLN HB2 H 1 1.912 0.000 . . . . . . A 129 GLN HB2 . 34605 1 1466 . 1 . 1 132 132 GLN HB3 H 1 2.039 0.000 . . . . . . A 129 GLN HB3 . 34605 1 1467 . 1 . 1 132 132 GLN HG2 H 1 2.268 0.000 . . . . . . A 129 GLN HG2 . 34605 1 1468 . 1 . 1 132 132 GLN HG3 H 1 2.268 0.000 . . . . . . A 129 GLN HG3 . 34605 1 1469 . 1 . 1 132 132 GLN HE21 H 1 6.712 0.000 . . . . . . A 129 GLN HE21 . 34605 1 1470 . 1 . 1 132 132 GLN HE22 H 1 7.436 0.000 . . . . . . A 129 GLN HE22 . 34605 1 1471 . 1 . 1 132 132 GLN CA C 13 56.190 0.000 . . . . . . A 129 GLN CA . 34605 1 1472 . 1 . 1 132 132 GLN CB C 13 28.871 0.000 . . . . . . A 129 GLN CB . 34605 1 1473 . 1 . 1 132 132 GLN CG C 13 33.587 0.000 . . . . . . A 129 GLN CG . 34605 1 1474 . 1 . 1 132 132 GLN N N 15 123.054 0.000 . . . . . . A 129 GLN N . 34605 1 1475 . 1 . 1 132 132 GLN NE2 N 15 112.003 0.001 . . . . . . A 129 GLN NE2 . 34605 1 1476 . 1 . 1 133 133 GLY H H 1 8.220 0.000 . . . . . . A 130 GLY H . 34605 1 1477 . 1 . 1 133 133 GLY HA2 H 1 2.899 0.000 . . . . . . A 130 GLY HA2 . 34605 1 1478 . 1 . 1 133 133 GLY HA3 H 1 3.611 0.000 . . . . . . A 130 GLY HA3 . 34605 1 1479 . 1 . 1 133 133 GLY CA C 13 45.100 0.000 . . . . . . A 130 GLY CA . 34605 1 1480 . 1 . 1 133 133 GLY N N 15 109.592 0.000 . . . . . . A 130 GLY N . 34605 1 1481 . 1 . 1 134 134 ALA H H 1 8.135 0.000 . . . . . . A 131 ALA H . 34605 1 1482 . 1 . 1 134 134 ALA HA H 1 4.248 0.000 . . . . . . A 131 ALA HA . 34605 1 1483 . 1 . 1 134 134 ALA HB1 H 1 1.445 0.000 . . . . . . A 131 ALA HB1 . 34605 1 1484 . 1 . 1 134 134 ALA HB2 H 1 1.445 0.000 . . . . . . A 131 ALA HB2 . 34605 1 1485 . 1 . 1 134 134 ALA HB3 H 1 1.445 0.000 . . . . . . A 131 ALA HB3 . 34605 1 1486 . 1 . 1 134 134 ALA CA C 13 53.840 0.000 . . . . . . A 131 ALA CA . 34605 1 1487 . 1 . 1 134 134 ALA CB C 13 18.871 0.000 . . . . . . A 131 ALA CB . 34605 1 1488 . 1 . 1 134 134 ALA N N 15 124.933 0.000 . . . . . . A 131 ALA N . 34605 1 1489 . 1 . 1 135 135 SER H H 1 8.461 0.000 . . . . . . A 132 SER H . 34605 1 1490 . 1 . 1 135 135 SER HA H 1 4.623 0.000 . . . . . . A 132 SER HA . 34605 1 1491 . 1 . 1 135 135 SER HB2 H 1 4.001 0.000 . . . . . . A 132 SER HB2 . 34605 1 1492 . 1 . 1 135 135 SER HB3 H 1 4.162 0.000 . . . . . . A 132 SER HB3 . 34605 1 1493 . 1 . 1 135 135 SER CA C 13 58.457 0.000 . . . . . . A 132 SER CA . 34605 1 1494 . 1 . 1 135 135 SER CB C 13 63.822 0.000 . . . . . . A 132 SER CB . 34605 1 1495 . 1 . 1 135 135 SER N N 15 113.498 0.000 . . . . . . A 132 SER N . 34605 1 1496 . 1 . 1 136 136 TRP H H 1 8.511 0.000 . . . . . . A 133 TRP H . 34605 1 1497 . 1 . 1 136 136 TRP HA H 1 4.568 0.000 . . . . . . A 133 TRP HA . 34605 1 1498 . 1 . 1 136 136 TRP HB2 H 1 3.184 0.000 . . . . . . A 133 TRP HB2 . 34605 1 1499 . 1 . 1 136 136 TRP HB3 H 1 3.227 0.000 . . . . . . A 133 TRP HB3 . 34605 1 1500 . 1 . 1 136 136 TRP HD1 H 1 7.034 0.000 . . . . . . A 133 TRP HD1 . 34605 1 1501 . 1 . 1 136 136 TRP HE1 H 1 10.106 0.000 . . . . . . A 133 TRP HE1 . 34605 1 1502 . 1 . 1 136 136 TRP HE3 H 1 7.534 0.000 . . . . . . A 133 TRP HE3 . 34605 1 1503 . 1 . 1 136 136 TRP HZ2 H 1 7.352 0.000 . . . . . . A 133 TRP HZ2 . 34605 1 1504 . 1 . 1 136 136 TRP HH2 H 1 6.821 0.000 . . . . . . A 133 TRP HH2 . 34605 1 1505 . 1 . 1 136 136 TRP CA C 13 58.815 0.000 . . . . . . A 133 TRP CA . 34605 1 1506 . 1 . 1 136 136 TRP CB C 13 28.712 0.000 . . . . . . A 133 TRP CB . 34605 1 1507 . 1 . 1 136 136 TRP CD1 C 13 124.174 0.000 . . . . . . A 133 TRP CD1 . 34605 1 1508 . 1 . 1 136 136 TRP CE3 C 13 121.711 0.000 . . . . . . A 133 TRP CE3 . 34605 1 1509 . 1 . 1 136 136 TRP CZ2 C 13 113.950 0.000 . . . . . . A 133 TRP CZ2 . 34605 1 1510 . 1 . 1 136 136 TRP CH2 C 13 123.140 0.000 . . . . . . A 133 TRP CH2 . 34605 1 1511 . 1 . 1 136 136 TRP N N 15 123.033 0.000 . . . . . . A 133 TRP N . 34605 1 1512 . 1 . 1 136 136 TRP NE1 N 15 128.159 0.000 . . . . . . A 133 TRP NE1 . 34605 1 1513 . 1 . 1 137 137 ALA H H 1 8.522 0.000 . . . . . . A 134 ALA H . 34605 1 1514 . 1 . 1 137 137 ALA HA H 1 4.273 0.000 . . . . . . A 134 ALA HA . 34605 1 1515 . 1 . 1 137 137 ALA HB1 H 1 1.523 0.000 . . . . . . A 134 ALA HB1 . 34605 1 1516 . 1 . 1 137 137 ALA HB2 H 1 1.523 0.000 . . . . . . A 134 ALA HB2 . 34605 1 1517 . 1 . 1 137 137 ALA HB3 H 1 1.523 0.000 . . . . . . A 134 ALA HB3 . 34605 1 1518 . 1 . 1 137 137 ALA CA C 13 55.566 0.000 . . . . . . A 134 ALA CA . 34605 1 1519 . 1 . 1 137 137 ALA CB C 13 17.819 0.000 . . . . . . A 134 ALA CB . 34605 1 1520 . 1 . 1 137 137 ALA N N 15 120.838 0.000 . . . . . . A 134 ALA N . 34605 1 1521 . 1 . 1 138 138 GLN H H 1 7.939 0.000 . . . . . . A 135 GLN H . 34605 1 1522 . 1 . 1 138 138 GLN HA H 1 4.125 0.000 . . . . . . A 135 GLN HA . 34605 1 1523 . 1 . 1 138 138 GLN HB2 H 1 2.166 0.000 . . . . . . A 135 GLN HB2 . 34605 1 1524 . 1 . 1 138 138 GLN HB3 H 1 2.225 0.000 . . . . . . A 135 GLN HB3 . 34605 1 1525 . 1 . 1 138 138 GLN HG2 H 1 2.457 0.000 . . . . . . A 135 GLN HG2 . 34605 1 1526 . 1 . 1 138 138 GLN HG3 H 1 2.457 0.000 . . . . . . A 135 GLN HG3 . 34605 1 1527 . 1 . 1 138 138 GLN CA C 13 58.984 0.000 . . . . . . A 135 GLN CA . 34605 1 1528 . 1 . 1 138 138 GLN CB C 13 28.510 0.000 . . . . . . A 135 GLN CB . 34605 1 1529 . 1 . 1 138 138 GLN CG C 13 34.110 0.000 . . . . . . A 135 GLN CG . 34605 1 1530 . 1 . 1 138 138 GLN N N 15 119.201 0.000 . . . . . . A 135 GLN N . 34605 1 1531 . 1 . 1 139 139 GLU H H 1 7.818 0.000 . . . . . . A 136 GLU H . 34605 1 1532 . 1 . 1 139 139 GLU HA H 1 3.852 0.000 . . . . . . A 136 GLU HA . 34605 1 1533 . 1 . 1 139 139 GLU HB2 H 1 1.629 0.000 . . . . . . A 136 GLU HB2 . 34605 1 1534 . 1 . 1 139 139 GLU HB3 H 1 1.629 0.000 . . . . . . A 136 GLU HB3 . 34605 1 1535 . 1 . 1 139 139 GLU HG2 H 1 2.552 0.000 . . . . . . A 136 GLU HG2 . 34605 1 1536 . 1 . 1 139 139 GLU HG3 H 1 2.552 0.000 . . . . . . A 136 GLU HG3 . 34605 1 1537 . 1 . 1 139 139 GLU CA C 13 58.979 0.000 . . . . . . A 136 GLU CA . 34605 1 1538 . 1 . 1 139 139 GLU CB C 13 29.557 0.000 . . . . . . A 136 GLU CB . 34605 1 1539 . 1 . 1 139 139 GLU CG C 13 36.316 0.000 . . . . . . A 136 GLU CG . 34605 1 1540 . 1 . 1 139 139 GLU N N 15 121.133 0.000 . . . . . . A 136 GLU N . 34605 1 1541 . 1 . 1 140 140 ASP H H 1 8.863 0.000 . . . . . . A 137 ASP H . 34605 1 1542 . 1 . 1 140 140 ASP HA H 1 4.500 0.000 . . . . . . A 137 ASP HA . 34605 1 1543 . 1 . 1 140 140 ASP HB2 H 1 2.675 0.000 . . . . . . A 137 ASP HB2 . 34605 1 1544 . 1 . 1 140 140 ASP HB3 H 1 2.951 0.000 . . . . . . A 137 ASP HB3 . 34605 1 1545 . 1 . 1 140 140 ASP CA C 13 57.066 0.000 . . . . . . A 137 ASP CA . 34605 1 1546 . 1 . 1 140 140 ASP CB C 13 39.858 0.000 . . . . . . A 137 ASP CB . 34605 1 1547 . 1 . 1 140 140 ASP N N 15 118.351 0.000 . . . . . . A 137 ASP N . 34605 1 1548 . 1 . 1 141 141 GLN H H 1 7.557 0.000 . . . . . . A 138 GLN H . 34605 1 1549 . 1 . 1 141 141 GLN HA H 1 3.925 0.000 . . . . . . A 138 GLN HA . 34605 1 1550 . 1 . 1 141 141 GLN HB2 H 1 2.209 0.000 . . . . . . A 138 GLN HB2 . 34605 1 1551 . 1 . 1 141 141 GLN HB3 H 1 2.209 0.000 . . . . . . A 138 GLN HB3 . 34605 1 1552 . 1 . 1 141 141 GLN HG2 H 1 2.540 0.000 . . . . . . A 138 GLN HG2 . 34605 1 1553 . 1 . 1 141 141 GLN HG3 H 1 2.446 0.000 . . . . . . A 138 GLN HG3 . 34605 1 1554 . 1 . 1 141 141 GLN HE21 H 1 7.012 0.000 . . . . . . A 138 GLN HE21 . 34605 1 1555 . 1 . 1 141 141 GLN HE22 H 1 7.589 0.000 . . . . . . A 138 GLN HE22 . 34605 1 1556 . 1 . 1 141 141 GLN CA C 13 58.856 0.000 . . . . . . A 138 GLN CA . 34605 1 1557 . 1 . 1 141 141 GLN CB C 13 28.463 0.000 . . . . . . A 138 GLN CB . 34605 1 1558 . 1 . 1 141 141 GLN CG C 13 33.906 0.000 . . . . . . A 138 GLN CG . 34605 1 1559 . 1 . 1 141 141 GLN N N 15 117.068 0.000 . . . . . . A 138 GLN N . 34605 1 1560 . 1 . 1 141 141 GLN NE2 N 15 113.586 0.000 . . . . . . A 138 GLN NE2 . 34605 1 1561 . 1 . 1 142 142 GLN H H 1 7.581 0.000 . . . . . . A 139 GLN H . 34605 1 1562 . 1 . 1 142 142 GLN HA H 1 4.155 0.000 . . . . . . A 139 GLN HA . 34605 1 1563 . 1 . 1 142 142 GLN HB2 H 1 2.232 0.000 . . . . . . A 139 GLN HB2 . 34605 1 1564 . 1 . 1 142 142 GLN HB3 H 1 2.232 0.000 . . . . . . A 139 GLN HB3 . 34605 1 1565 . 1 . 1 142 142 GLN HG2 H 1 2.458 0.000 . . . . . . A 139 GLN HG2 . 34605 1 1566 . 1 . 1 142 142 GLN HG3 H 1 2.550 0.000 . . . . . . A 139 GLN HG3 . 34605 1 1567 . 1 . 1 142 142 GLN HE21 H 1 7.709 0.000 . . . . . . A 139 GLN HE21 . 34605 1 1568 . 1 . 1 142 142 GLN HE22 H 1 6.884 0.000 . . . . . . A 139 GLN HE22 . 34605 1 1569 . 1 . 1 142 142 GLN CA C 13 58.957 0.000 . . . . . . A 139 GLN CA . 34605 1 1570 . 1 . 1 142 142 GLN CB C 13 28.205 0.000 . . . . . . A 139 GLN CB . 34605 1 1571 . 1 . 1 142 142 GLN CG C 13 33.813 0.000 . . . . . . A 139 GLN CG . 34605 1 1572 . 1 . 1 142 142 GLN N N 15 119.624 0.000 . . . . . . A 139 GLN N . 34605 1 1573 . 1 . 1 142 142 GLN NE2 N 15 111.899 0.001 . . . . . . A 139 GLN NE2 . 34605 1 1574 . 1 . 1 143 143 ASP H H 1 9.210 0.000 . . . . . . A 140 ASP H . 34605 1 1575 . 1 . 1 143 143 ASP HA H 1 4.054 0.000 . . . . . . A 140 ASP HA . 34605 1 1576 . 1 . 1 143 143 ASP HB2 H 1 2.154 0.000 . . . . . . A 140 ASP HB2 . 34605 1 1577 . 1 . 1 143 143 ASP HB3 H 1 2.852 0.000 . . . . . . A 140 ASP HB3 . 34605 1 1578 . 1 . 1 143 143 ASP CA C 13 57.260 0.000 . . . . . . A 140 ASP CA . 34605 1 1579 . 1 . 1 143 143 ASP CB C 13 40.672 0.000 . . . . . . A 140 ASP CB . 34605 1 1580 . 1 . 1 143 143 ASP N N 15 121.875 0.000 . . . . . . A 140 ASP N . 34605 1 1581 . 1 . 1 144 144 ALA H H 1 8.795 0.000 . . . . . . A 141 ALA H . 34605 1 1582 . 1 . 1 144 144 ALA HA H 1 4.297 0.000 . . . . . . A 141 ALA HA . 34605 1 1583 . 1 . 1 144 144 ALA HB1 H 1 1.435 0.000 . . . . . . A 141 ALA HB1 . 34605 1 1584 . 1 . 1 144 144 ALA HB2 H 1 1.435 0.000 . . . . . . A 141 ALA HB2 . 34605 1 1585 . 1 . 1 144 144 ALA HB3 H 1 1.435 0.000 . . . . . . A 141 ALA HB3 . 34605 1 1586 . 1 . 1 144 144 ALA CA C 13 55.375 0.000 . . . . . . A 141 ALA CA . 34605 1 1587 . 1 . 1 144 144 ALA CB C 13 19.239 0.000 . . . . . . A 141 ALA CB . 34605 1 1588 . 1 . 1 144 144 ALA N N 15 121.194 0.000 . . . . . . A 141 ALA N . 34605 1 1589 . 1 . 1 145 145 ASP H H 1 7.913 0.000 . . . . . . A 142 ASP H . 34605 1 1590 . 1 . 1 145 145 ASP HA H 1 4.684 0.000 . . . . . . A 142 ASP HA . 34605 1 1591 . 1 . 1 145 145 ASP HB2 H 1 2.858 0.000 . . . . . . A 142 ASP HB2 . 34605 1 1592 . 1 . 1 145 145 ASP HB3 H 1 2.858 0.000 . . . . . . A 142 ASP HB3 . 34605 1 1593 . 1 . 1 145 145 ASP CA C 13 57.622 0.000 . . . . . . A 142 ASP CA . 34605 1 1594 . 1 . 1 145 145 ASP CB C 13 41.030 0.000 . . . . . . A 142 ASP CB . 34605 1 1595 . 1 . 1 145 145 ASP N N 15 119.189 0.000 . . . . . . A 142 ASP N . 34605 1 1596 . 1 . 1 146 146 GLU H H 1 7.929 0.000 . . . . . . A 143 GLU H . 34605 1 1597 . 1 . 1 146 146 GLU HA H 1 4.055 0.000 . . . . . . A 143 GLU HA . 34605 1 1598 . 1 . 1 146 146 GLU HB2 H 1 2.238 0.000 . . . . . . A 143 GLU HB2 . 34605 1 1599 . 1 . 1 146 146 GLU HB3 H 1 2.238 0.000 . . . . . . A 143 GLU HB3 . 34605 1 1600 . 1 . 1 146 146 GLU HG2 H 1 2.289 0.000 . . . . . . A 143 GLU HG2 . 34605 1 1601 . 1 . 1 146 146 GLU HG3 H 1 2.537 0.000 . . . . . . A 143 GLU HG3 . 34605 1 1602 . 1 . 1 146 146 GLU CA C 13 59.593 0.000 . . . . . . A 143 GLU CA . 34605 1 1603 . 1 . 1 146 146 GLU CB C 13 29.383 0.000 . . . . . . A 143 GLU CB . 34605 1 1604 . 1 . 1 146 146 GLU CG C 13 36.582 0.000 . . . . . . A 143 GLU CG . 34605 1 1605 . 1 . 1 146 146 GLU N N 15 119.737 0.000 . . . . . . A 143 GLU N . 34605 1 1606 . 1 . 1 147 147 ASP H H 1 8.925 0.000 . . . . . . A 144 ASP H . 34605 1 1607 . 1 . 1 147 147 ASP HA H 1 4.449 0.000 . . . . . . A 144 ASP HA . 34605 1 1608 . 1 . 1 147 147 ASP HB2 H 1 2.758 0.000 . . . . . . A 144 ASP HB2 . 34605 1 1609 . 1 . 1 147 147 ASP HB3 H 1 2.905 0.000 . . . . . . A 144 ASP HB3 . 34605 1 1610 . 1 . 1 147 147 ASP CA C 13 57.484 0.000 . . . . . . A 144 ASP CA . 34605 1 1611 . 1 . 1 147 147 ASP CB C 13 40.796 0.000 . . . . . . A 144 ASP CB . 34605 1 1612 . 1 . 1 147 147 ASP N N 15 121.301 0.000 . . . . . . A 144 ASP N . 34605 1 1613 . 1 . 1 148 148 ARG H H 1 8.551 0.000 . . . . . . A 145 ARG H . 34605 1 1614 . 1 . 1 148 148 ARG HA H 1 4.071 0.000 . . . . . . A 145 ARG HA . 34605 1 1615 . 1 . 1 148 148 ARG HB2 H 1 2.037 0.000 . . . . . . A 145 ARG HB2 . 34605 1 1616 . 1 . 1 148 148 ARG HB3 H 1 2.037 0.000 . . . . . . A 145 ARG HB3 . 34605 1 1617 . 1 . 1 148 148 ARG HG2 H 1 1.761 0.000 . . . . . . A 145 ARG HG2 . 34605 1 1618 . 1 . 1 148 148 ARG HG3 H 1 1.761 0.000 . . . . . . A 145 ARG HG3 . 34605 1 1619 . 1 . 1 148 148 ARG HD2 H 1 3.241 0.000 . . . . . . A 145 ARG HD2 . 34605 1 1620 . 1 . 1 148 148 ARG HD3 H 1 3.241 0.000 . . . . . . A 145 ARG HD3 . 34605 1 1621 . 1 . 1 148 148 ARG CA C 13 59.469 0.000 . . . . . . A 145 ARG CA . 34605 1 1622 . 1 . 1 148 148 ARG CB C 13 29.487 0.000 . . . . . . A 145 ARG CB . 34605 1 1623 . 1 . 1 148 148 ARG CG C 13 26.857 0.000 . . . . . . A 145 ARG CG . 34605 1 1624 . 1 . 1 148 148 ARG CD C 13 43.238 0.000 . . . . . . A 145 ARG CD . 34605 1 1625 . 1 . 1 148 148 ARG N N 15 121.590 0.000 . . . . . . A 145 ARG N . 34605 1 1626 . 1 . 1 149 149 ARG H H 1 7.704 0.000 . . . . . . A 146 ARG H . 34605 1 1627 . 1 . 1 149 149 ARG HA H 1 4.112 0.000 . . . . . . A 146 ARG HA . 34605 1 1628 . 1 . 1 149 149 ARG HB2 H 1 1.983 0.000 . . . . . . A 146 ARG HB2 . 34605 1 1629 . 1 . 1 149 149 ARG HB3 H 1 1.983 0.000 . . . . . . A 146 ARG HB3 . 34605 1 1630 . 1 . 1 149 149 ARG HG2 H 1 1.685 0.000 . . . . . . A 146 ARG HG2 . 34605 1 1631 . 1 . 1 149 149 ARG HG3 H 1 1.894 0.000 . . . . . . A 146 ARG HG3 . 34605 1 1632 . 1 . 1 149 149 ARG HD2 H 1 3.221 0.000 . . . . . . A 146 ARG HD2 . 34605 1 1633 . 1 . 1 149 149 ARG HD3 H 1 3.298 0.000 . . . . . . A 146 ARG HD3 . 34605 1 1634 . 1 . 1 149 149 ARG CA C 13 59.495 0.000 . . . . . . A 146 ARG CA . 34605 1 1635 . 1 . 1 149 149 ARG CB C 13 29.908 0.000 . . . . . . A 146 ARG CB . 34605 1 1636 . 1 . 1 149 149 ARG CG C 13 28.469 0.000 . . . . . . A 146 ARG CG . 34605 1 1637 . 1 . 1 149 149 ARG CD C 13 43.413 0.000 . . . . . . A 146 ARG CD . 34605 1 1638 . 1 . 1 149 149 ARG N N 15 119.268 0.000 . . . . . . A 146 ARG N . 34605 1 1639 . 1 . 1 150 150 ALA H H 1 7.874 0.000 . . . . . . A 147 ALA H . 34605 1 1640 . 1 . 1 150 150 ALA HA H 1 4.339 0.000 . . . . . . A 147 ALA HA . 34605 1 1641 . 1 . 1 150 150 ALA HB1 H 1 1.687 0.000 . . . . . . A 147 ALA HB1 . 34605 1 1642 . 1 . 1 150 150 ALA HB2 H 1 1.687 0.000 . . . . . . A 147 ALA HB2 . 34605 1 1643 . 1 . 1 150 150 ALA HB3 H 1 1.687 0.000 . . . . . . A 147 ALA HB3 . 34605 1 1644 . 1 . 1 150 150 ALA CA C 13 54.232 0.000 . . . . . . A 147 ALA CA . 34605 1 1645 . 1 . 1 150 150 ALA CB C 13 18.779 0.000 . . . . . . A 147 ALA CB . 34605 1 1646 . 1 . 1 150 150 ALA N N 15 120.406 0.000 . . . . . . A 147 ALA N . 34605 1 1647 . 1 . 1 151 151 PHE H H 1 8.285 0.000 . . . . . . A 148 PHE H . 34605 1 1648 . 1 . 1 151 151 PHE HA H 1 4.410 0.000 . . . . . . A 148 PHE HA . 34605 1 1649 . 1 . 1 151 151 PHE HB2 H 1 3.110 0.000 . . . . . . A 148 PHE HB2 . 34605 1 1650 . 1 . 1 151 151 PHE HB3 H 1 3.370 0.000 . . . . . . A 148 PHE HB3 . 34605 1 1651 . 1 . 1 151 151 PHE HD1 H 1 7.310 0.000 . . . . . . A 148 PHE HD1 . 34605 1 1652 . 1 . 1 151 151 PHE HD2 H 1 7.310 0.000 . . . . . . A 148 PHE HD2 . 34605 1 1653 . 1 . 1 151 151 PHE HE1 H 1 7.128 0.000 . . . . . . A 148 PHE HE1 . 34605 1 1654 . 1 . 1 151 151 PHE HE2 H 1 7.128 0.000 . . . . . . A 148 PHE HE2 . 34605 1 1655 . 1 . 1 151 151 PHE CA C 13 60.569 0.000 . . . . . . A 148 PHE CA . 34605 1 1656 . 1 . 1 151 151 PHE CB C 13 39.487 0.000 . . . . . . A 148 PHE CB . 34605 1 1657 . 1 . 1 151 151 PHE CD1 C 13 132.324 0.000 . . . . . . A 148 PHE CD1 . 34605 1 1658 . 1 . 1 151 151 PHE CD2 C 13 132.324 0.000 . . . . . . A 148 PHE CD2 . 34605 1 1659 . 1 . 1 151 151 PHE CE1 C 13 131.360 0.000 . . . . . . A 148 PHE CE1 . 34605 1 1660 . 1 . 1 151 151 PHE CE2 C 13 131.360 0.000 . . . . . . A 148 PHE CE2 . 34605 1 1661 . 1 . 1 151 151 PHE N N 15 120.164 0.000 . . . . . . A 148 PHE N . 34605 1 1662 . 1 . 1 152 152 GLN H H 1 8.041 0.000 . . . . . . A 149 GLN H . 34605 1 1663 . 1 . 1 152 152 GLN HA H 1 4.161 0.000 . . . . . . A 149 GLN HA . 34605 1 1664 . 1 . 1 152 152 GLN HB2 H 1 2.143 0.000 . . . . . . A 149 GLN HB2 . 34605 1 1665 . 1 . 1 152 152 GLN HB3 H 1 2.143 0.000 . . . . . . A 149 GLN HB3 . 34605 1 1666 . 1 . 1 152 152 GLN HG2 H 1 2.494 0.000 . . . . . . A 149 GLN HG2 . 34605 1 1667 . 1 . 1 152 152 GLN HG3 H 1 2.580 0.000 . . . . . . A 149 GLN HG3 . 34605 1 1668 . 1 . 1 152 152 GLN HE21 H 1 6.987 0.000 . . . . . . A 149 GLN HE21 . 34605 1 1669 . 1 . 1 152 152 GLN HE22 H 1 7.609 0.000 . . . . . . A 149 GLN HE22 . 34605 1 1670 . 1 . 1 152 152 GLN CA C 13 56.912 0.000 . . . . . . A 149 GLN CA . 34605 1 1671 . 1 . 1 152 152 GLN CB C 13 28.599 0.000 . . . . . . A 149 GLN CB . 34605 1 1672 . 1 . 1 152 152 GLN CG C 13 33.955 0.000 . . . . . . A 149 GLN CG . 34605 1 1673 . 1 . 1 152 152 GLN N N 15 118.656 0.000 . . . . . . A 149 GLN N . 34605 1 1674 . 1 . 1 152 152 GLN NE2 N 15 112.106 0.000 . . . . . . A 149 GLN NE2 . 34605 1 1675 . 1 . 1 153 153 MET H H 1 7.828 0.000 . . . . . . A 150 MET H . 34605 1 1676 . 1 . 1 153 153 MET HA H 1 4.384 0.000 . . . . . . A 150 MET HA . 34605 1 1677 . 1 . 1 153 153 MET HB2 H 1 2.640 0.000 . . . . . . A 150 MET HB2 . 34605 1 1678 . 1 . 1 153 153 MET HB3 H 1 2.717 0.000 . . . . . . A 150 MET HB3 . 34605 1 1679 . 1 . 1 153 153 MET HG2 H 1 2.120 0.000 . . . . . . A 150 MET HG2 . 34605 1 1680 . 1 . 1 153 153 MET HG3 H 1 2.175 0.000 . . . . . . A 150 MET HG3 . 34605 1 1681 . 1 . 1 153 153 MET HE1 H 1 2.115 0.000 . . . . . . A 150 MET HE1 . 34605 1 1682 . 1 . 1 153 153 MET HE2 H 1 2.115 0.000 . . . . . . A 150 MET HE2 . 34605 1 1683 . 1 . 1 153 153 MET HE3 H 1 2.115 0.000 . . . . . . A 150 MET HE3 . 34605 1 1684 . 1 . 1 153 153 MET CA C 13 56.049 0.000 . . . . . . A 150 MET CA . 34605 1 1685 . 1 . 1 153 153 MET CB C 13 32.546 0.000 . . . . . . A 150 MET CB . 34605 1 1686 . 1 . 1 153 153 MET CG C 13 32.561 0.000 . . . . . . A 150 MET CG . 34605 1 1687 . 1 . 1 153 153 MET CE C 13 16.874 0.000 . . . . . . A 150 MET CE . 34605 1 1688 . 1 . 1 153 153 MET N N 15 118.279 0.000 . . . . . . A 150 MET N . 34605 1 1689 . 1 . 1 154 154 LEU H H 1 7.756 0.000 . . . . . . A 151 LEU H . 34605 1 1690 . 1 . 1 154 154 LEU HA H 1 4.296 0.000 . . . . . . A 151 LEU HA . 34605 1 1691 . 1 . 1 154 154 LEU HB2 H 1 1.520 0.000 . . . . . . A 151 LEU HB2 . 34605 1 1692 . 1 . 1 154 154 LEU HB3 H 1 1.636 0.000 . . . . . . A 151 LEU HB3 . 34605 1 1693 . 1 . 1 154 154 LEU HG H 1 1.702 0.000 . . . . . . A 151 LEU HG . 34605 1 1694 . 1 . 1 154 154 LEU HD11 H 1 0.887 0.000 . . . . . . A 151 LEU HD11 . 34605 1 1695 . 1 . 1 154 154 LEU HD12 H 1 0.887 0.000 . . . . . . A 151 LEU HD12 . 34605 1 1696 . 1 . 1 154 154 LEU HD13 H 1 0.887 0.000 . . . . . . A 151 LEU HD13 . 34605 1 1697 . 1 . 1 154 154 LEU HD21 H 1 0.918 0.000 . . . . . . A 151 LEU HD21 . 34605 1 1698 . 1 . 1 154 154 LEU HD22 H 1 0.918 0.000 . . . . . . A 151 LEU HD22 . 34605 1 1699 . 1 . 1 154 154 LEU HD23 H 1 0.918 0.000 . . . . . . A 151 LEU HD23 . 34605 1 1700 . 1 . 1 154 154 LEU CA C 13 55.368 0.000 . . . . . . A 151 LEU CA . 34605 1 1701 . 1 . 1 154 154 LEU CB C 13 42.085 0.000 . . . . . . A 151 LEU CB . 34605 1 1702 . 1 . 1 154 154 LEU CG C 13 26.773 0.000 . . . . . . A 151 LEU CG . 34605 1 1703 . 1 . 1 154 154 LEU CD1 C 13 23.348 0.000 . . . . . . A 151 LEU CD1 . 34605 1 1704 . 1 . 1 154 154 LEU CD2 C 13 25.221 0.000 . . . . . . A 151 LEU CD2 . 34605 1 1705 . 1 . 1 154 154 LEU N N 15 121.309 0.000 . . . . . . A 151 LEU N . 34605 1 1706 . 1 . 1 155 155 ARG H H 1 8.199 0.000 . . . . . . A 152 ARG H . 34605 1 1707 . 1 . 1 155 155 ARG HA H 1 4.276 0.000 . . . . . . A 152 ARG HA . 34605 1 1708 . 1 . 1 155 155 ARG HB2 H 1 1.761 0.000 . . . . . . A 152 ARG HB2 . 34605 1 1709 . 1 . 1 155 155 ARG HB3 H 1 1.825 0.000 . . . . . . A 152 ARG HB3 . 34605 1 1710 . 1 . 1 155 155 ARG HG2 H 1 1.586 0.000 . . . . . . A 152 ARG HG2 . 34605 1 1711 . 1 . 1 155 155 ARG HG3 H 1 1.586 0.000 . . . . . . A 152 ARG HG3 . 34605 1 1712 . 1 . 1 155 155 ARG HD2 H 1 3.193 0.000 . . . . . . A 152 ARG HD2 . 34605 1 1713 . 1 . 1 155 155 ARG HD3 H 1 3.193 0.000 . . . . . . A 152 ARG HD3 . 34605 1 1714 . 1 . 1 155 155 ARG CA C 13 56.067 0.000 . . . . . . A 152 ARG CA . 34605 1 1715 . 1 . 1 155 155 ARG CB C 13 30.635 0.000 . . . . . . A 152 ARG CB . 34605 1 1716 . 1 . 1 155 155 ARG CG C 13 26.958 0.000 . . . . . . A 152 ARG CG . 34605 1 1717 . 1 . 1 155 155 ARG CD C 13 43.162 0.000 . . . . . . A 152 ARG CD . 34605 1 1718 . 1 . 1 155 155 ARG N N 15 122.010 0.000 . . . . . . A 152 ARG N . 34605 1 1719 . 1 . 1 156 156 ARG H H 1 8.475 0.000 . . . . . . A 153 ARG H . 34605 1 1720 . 1 . 1 156 156 ARG HA H 1 4.394 0.000 . . . . . . A 153 ARG HA . 34605 1 1721 . 1 . 1 156 156 ARG HB2 H 1 1.906 0.000 . . . . . . A 153 ARG HB2 . 34605 1 1722 . 1 . 1 156 156 ARG HB3 H 1 1.736 0.000 . . . . . . A 153 ARG HB3 . 34605 1 1723 . 1 . 1 156 156 ARG HG2 H 1 1.629 0.000 . . . . . . A 153 ARG HG2 . 34605 1 1724 . 1 . 1 156 156 ARG HG3 H 1 1.629 0.000 . . . . . . A 153 ARG HG3 . 34605 1 1725 . 1 . 1 156 156 ARG HD2 H 1 3.188 0.000 . . . . . . A 153 ARG HD2 . 34605 1 1726 . 1 . 1 156 156 ARG HD3 H 1 3.188 0.000 . . . . . . A 153 ARG HD3 . 34605 1 1727 . 1 . 1 156 156 ARG CA C 13 55.888 0.000 . . . . . . A 153 ARG CA . 34605 1 1728 . 1 . 1 156 156 ARG CB C 13 30.787 0.000 . . . . . . A 153 ARG CB . 34605 1 1729 . 1 . 1 156 156 ARG CG C 13 26.923 0.000 . . . . . . A 153 ARG CG . 34605 1 1730 . 1 . 1 156 156 ARG CD C 13 43.218 0.000 . . . . . . A 153 ARG CD . 34605 1 1731 . 1 . 1 156 156 ARG N N 15 123.381 0.000 . . . . . . A 153 ARG N . 34605 1 1732 . 1 . 1 157 157 ASP H H 1 8.056 0.000 . . . . . . A 154 ASP H . 34605 1 1733 . 1 . 1 157 157 ASP HA H 1 4.381 0.000 . . . . . . A 154 ASP HA . 34605 1 1734 . 1 . 1 157 157 ASP HB2 H 1 2.591 0.000 . . . . . . A 154 ASP HB2 . 34605 1 1735 . 1 . 1 157 157 ASP HB3 H 1 2.667 0.000 . . . . . . A 154 ASP HB3 . 34605 1 1736 . 1 . 1 157 157 ASP CA C 13 55.667 0.000 . . . . . . A 154 ASP CA . 34605 1 1737 . 1 . 1 157 157 ASP CB C 13 42.052 0.000 . . . . . . A 154 ASP CB . 34605 1 1738 . 1 . 1 157 157 ASP N N 15 127.079 0.000 . . . . . . A 154 ASP N . 34605 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 34605 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 12 _Spectral_peak_list.Experiment_name '3D filt. 1H-13C NOESY aliphatic' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format Text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #FORMAT xeasy3D #INAME 1 HC #INAME 2 H #INAME 3 C #SPECTRUM C13NOESY HC H C 1 0.883 7.679 27.075 1 T 3.620e+06 0.00e+00 a 0 QD2.58 Q13.177 CD2.58 2 0.885 7.504 27.120 1 T 4.092e+06 0.00e+00 a 0 QD2.58 Q12.177 CD2.58 3 0.884 7.377 27.037 1 T 5.070e+06 0.00e+00 a 0 QD2.58 Q19.177 CD2.58 4 1.018 7.679 14.415 1 T 2.459e+06 0.00e+00 a 0 QD1.7 Q13.177 CD1.7 5 1.021 7.377 14.302 1 T 2.358e+06 0.00e+00 a 0 QD1.7 Q19.177 CD1.7 6 1.017 5.681 14.397 1 T 1.926e+06 0.00e+00 a 0 QD1.7 H32.177 CD1.7 7 1.019 3.573 14.385 1 T 5.624e+06 0.00e+00 a 0 QD1.7 Q24.177 CD1.7 8 1.737 7.391 17.165 1 T 4.380e+06 0.00e+00 a 0 QE.62 Q19.177 CE.62 9 1.742 7.484 17.137 1 T 4.060e+06 0.00e+00 a 0 QE.62 Q18.177 CE.62 10 1.742 7.680 17.163 1 T 4.864e+06 0.00e+00 a 0 QE.62 Q13.177 CE.62 11 1.747 5.688 17.212 1 T 1.702e+06 0.00e+00 a 0 QE.62 H32.177 CE.62 12 1.741 3.576 17.143 1 T 3.384e+06 0.00e+00 a 0 QE.62 Q24.177 CE.62 13 2.095 7.370 17.752 1 T 4.900e+06 0.00e+00 a 0 QE.122 H39.177 CE.122 14 0.906 7.666 20.842 1 T 3.647e+06 0.00e+00 a 0 QG2.53 H30.177 CG2.53 15 0.878 7.664 20.914 1 T 4.788e+06 0.00e+00 a 0 QG1.53 H30.177 CG1.53 16 0.904 7.877 20.833 1 T 3.107e+06 0.00e+00 a 0 QG2.53 H29.177 CG2.53 17 0.878 7.892 20.916 1 T 4.203e+06 0.00e+00 a 0 QG1.53 H29.177 CG1.53 18 0.902 8.131 20.838 1 T 2.433e+06 0.00e+00 a 0 QG2.53 H28.177 CG2.53 19 0.878 8.137 20.965 1 T 3.366e+06 0.00e+00 a 0 QG1.53 H28.177 CG1.53 21 1.219 8.136 21.497 1 T 3.959e+06 0.00e+00 a 0 QG2.59 H28.177 CG2.59 22 1.217 7.911 21.525 1 T 2.001e+06 0.00e+00 a 0 QG2.59 H29.177 CG2.59 23 1.218 7.674 21.518 1 T 7.461e+06 0.00e+00 a 0 QG2.59 Q13.177 CG2.59 24 1.215 7.398 21.488 1 T 2.360e+06 0.00e+00 a 0 QG2.59 Q19.177 CG2.59 25 1.219 5.697 21.525 1 T 3.532e+06 0.00e+00 a 0 QG2.59 H32.177 CG2.59 26 1.219 3.575 21.493 1 T 2.955e+07 0.00e+00 a 0 QG2.59 Q24.177 CG2.59 27 0.747 7.684 23.845 1 T 2.832e+06 0.00e+00 a 0 QD2.116 Q13.177 CD2.116 28 0.763 7.383 23.845 1 T 9.397e+06 0.00e+00 a 0 QD2.116 Q19.177 CD2.116 29 0.900 7.363 23.790 1 T 1.285e+07 0.00e+00 a 0 QD2.45 Q19.177 CD2.45 30 0.952 7.675 24.253 1 T 2.585e+06 0.00e+00 a 0 QD1.58 Q13.177 CD1.58 31 0.944 7.483 24.242 1 T 2.880e+06 0.00e+00 a 0 QD1.58 Q18.177 CD1.58 32 0.948 7.377 24.148 1 T 3.724e+06 0.00e+00 a 0 QD1.58 Q19.177 CD1.58 33 0.723 3.576 24.057 1 T 1.902e+06 0.00e+00 a 0 QD1.4 Q24.177 CD1.4 35 0.902 7.670 23.783 1 T 1.430e+06 0.00e+00 a 0 QD2.45 Q13.177 CD2.45 36 0.569 7.500 25.286 1 T 1.630e+06 0.00e+00 a 0 QD2.4 Q12.177 CD2.4 37 0.571 7.377 25.325 1 T 2.301e+06 0.00e+00 a 0 QD2.4 Q19.177 CD2.4 39 0.913 7.366 25.999 1 T 1.304e+07 0.00e+00 a 0 QD1.45 H39.177 CD1.45 40 1.003 7.377 26.055 1 T 2.405e+06 0.00e+00 a 0 QD1.42 Q19.177 CD1.42 41 0.650 7.372 26.370 1 T 2.450e+06 0.00e+00 a 0 QD1.116 Q19.177 CD1.116 45 2.271 3.578 32.200 1 T 2.703e+06 0.00e+00 a 0 HB2.62 Q24.177 CB.62 46 2.545 3.576 32.348 1 T 2.036e+06 0.00e+00 a 0 HB3.62 Q24.177 CB.62 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H-aliphatic . . 18.0 ppm . . . 4.84 . . 34605 1 2 . . H 1 H . . 12.0 ppm . . . 4.84 . . 34605 1 3 . . C 13 C-aliphatic . . 70.0 ppm . . . 41.8 . . 34605 1 stop_ save_