data_34526 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34526 _Entry.Title ; Solution structure of unliganded MLKL executioner domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-06-30 _Entry.Accession_date 2020-06-30 _Entry.Last_release_date 2020-12-08 _Entry.Original_release_date 2020-12-08 _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. . . . 34526 2 M. Bauer M. . . . 34526 3 H. Nar H. . . . 34526 4 M. Zeeb M. . . . 34526 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'LIPID BINDING PROTEIN' . 34526 Necroptosis . 34526 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34526 spectral_peak_list 3 34526 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 529 34526 '15N chemical shifts' 164 34526 '1H chemical shifts' 1103 34526 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 . . 2021-09-09 2020-06-30 update BMRB 'update entry citation' 34526 1 . . 2020-12-14 2020-06-30 original author 'original release' 34526 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6ZLE 'BMRB Entry Tracking System' 34526 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34526 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33318170 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Locking mixed-lineage kinase domain-like protein in its auto-inhibited state prevents necroptosis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 117 _Citation.Journal_issue 52 _Citation.Journal_ASTM PNASA6 _Citation.Journal_ISSN 1091-6490 _Citation.Journal_CSD 0040 _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 33272 _Citation.Page_last 33281 _Citation.Year 2020 _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. . . . 34526 1 2 D. Fiegen D. . . . 34526 1 3 M. Bauer M. . . . 34526 1 4 F. Binder F. . . . 34526 1 5 J. Hamilton J. . . . 34526 1 6 J. King J. . . . 34526 1 7 S. Thamm S. . . . 34526 1 8 H. Nar H. . . . 34526 1 9 M. Zeeb M. . . . 34526 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34526 _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 . . . . . . 34526 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34526 _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 34526 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 . 34526 1 2 -1 SER . 34526 1 3 0 PRO . 34526 1 4 1 GLY . 34526 1 5 2 GLU . 34526 1 6 3 ASN . 34526 1 7 4 LEU . 34526 1 8 5 LYS . 34526 1 9 6 HIS . 34526 1 10 7 ILE . 34526 1 11 8 ILE . 34526 1 12 9 THR . 34526 1 13 10 LEU . 34526 1 14 11 GLY . 34526 1 15 12 GLN . 34526 1 16 13 VAL . 34526 1 17 14 ILE . 34526 1 18 15 HIS . 34526 1 19 16 LYS . 34526 1 20 17 ARG . 34526 1 21 18 CYS . 34526 1 22 19 GLU . 34526 1 23 20 GLU . 34526 1 24 21 MET . 34526 1 25 22 LYS . 34526 1 26 23 TYR . 34526 1 27 24 CYS . 34526 1 28 25 LYS . 34526 1 29 26 LYS . 34526 1 30 27 GLN . 34526 1 31 28 CYS . 34526 1 32 29 ARG . 34526 1 33 30 ARG . 34526 1 34 31 LEU . 34526 1 35 32 GLY . 34526 1 36 33 HIS . 34526 1 37 34 ARG . 34526 1 38 35 VAL . 34526 1 39 36 LEU . 34526 1 40 37 GLY . 34526 1 41 38 LEU . 34526 1 42 39 ILE . 34526 1 43 40 LYS . 34526 1 44 41 PRO . 34526 1 45 42 LEU . 34526 1 46 43 GLU . 34526 1 47 44 MET . 34526 1 48 45 LEU . 34526 1 49 46 GLN . 34526 1 50 47 ASP . 34526 1 51 48 GLN . 34526 1 52 49 GLY . 34526 1 53 50 LYS . 34526 1 54 51 ARG . 34526 1 55 52 SER . 34526 1 56 53 VAL . 34526 1 57 54 PRO . 34526 1 58 55 SER . 34526 1 59 56 GLU . 34526 1 60 57 LYS . 34526 1 61 58 LEU . 34526 1 62 59 THR . 34526 1 63 60 THR . 34526 1 64 61 ALA . 34526 1 65 62 MET . 34526 1 66 63 ASN . 34526 1 67 64 ARG . 34526 1 68 65 PHE . 34526 1 69 66 LYS . 34526 1 70 67 ALA . 34526 1 71 68 ALA . 34526 1 72 69 LEU . 34526 1 73 70 GLU . 34526 1 74 71 GLU . 34526 1 75 72 ALA . 34526 1 76 73 ASN . 34526 1 77 74 GLY . 34526 1 78 75 GLU . 34526 1 79 76 ILE . 34526 1 80 77 GLU . 34526 1 81 78 LYS . 34526 1 82 79 PHE . 34526 1 83 80 SER . 34526 1 84 81 ASN . 34526 1 85 82 ARG . 34526 1 86 83 SER . 34526 1 87 84 ASN . 34526 1 88 85 ILE . 34526 1 89 86 CYS . 34526 1 90 87 ARG . 34526 1 91 88 PHE . 34526 1 92 89 LEU . 34526 1 93 90 THR . 34526 1 94 91 ALA . 34526 1 95 92 SER . 34526 1 96 93 GLN . 34526 1 97 94 ASP . 34526 1 98 95 LYS . 34526 1 99 96 ILE . 34526 1 100 97 LEU . 34526 1 101 98 PHE . 34526 1 102 99 LYS . 34526 1 103 100 ASP . 34526 1 104 101 VAL . 34526 1 105 102 ASN . 34526 1 106 103 ARG . 34526 1 107 104 LYS . 34526 1 108 105 LEU . 34526 1 109 106 SER . 34526 1 110 107 ASP . 34526 1 111 108 VAL . 34526 1 112 109 TRP . 34526 1 113 110 LYS . 34526 1 114 111 GLU . 34526 1 115 112 LEU . 34526 1 116 113 SER . 34526 1 117 114 LEU . 34526 1 118 115 LEU . 34526 1 119 116 LEU . 34526 1 120 117 GLN . 34526 1 121 118 VAL . 34526 1 122 119 GLU . 34526 1 123 120 GLN . 34526 1 124 121 ARG . 34526 1 125 122 MET . 34526 1 126 123 PRO . 34526 1 127 124 VAL . 34526 1 128 125 SER . 34526 1 129 126 PRO . 34526 1 130 127 ILE . 34526 1 131 128 SER . 34526 1 132 129 GLN . 34526 1 133 130 GLY . 34526 1 134 131 ALA . 34526 1 135 132 SER . 34526 1 136 133 TRP . 34526 1 137 134 ALA . 34526 1 138 135 GLN . 34526 1 139 136 GLU . 34526 1 140 137 ASP . 34526 1 141 138 GLN . 34526 1 142 139 GLN . 34526 1 143 140 ASP . 34526 1 144 141 ALA . 34526 1 145 142 ASP . 34526 1 146 143 GLU . 34526 1 147 144 ASP . 34526 1 148 145 ARG . 34526 1 149 146 ARG . 34526 1 150 147 ALA . 34526 1 151 148 PHE . 34526 1 152 149 GLN . 34526 1 153 150 MET . 34526 1 154 151 LEU . 34526 1 155 152 ARG . 34526 1 156 153 ARG . 34526 1 157 154 ASP . 34526 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 34526 1 . SER 2 2 34526 1 . PRO 3 3 34526 1 . GLY 4 4 34526 1 . GLU 5 5 34526 1 . ASN 6 6 34526 1 . LEU 7 7 34526 1 . LYS 8 8 34526 1 . HIS 9 9 34526 1 . ILE 10 10 34526 1 . ILE 11 11 34526 1 . THR 12 12 34526 1 . LEU 13 13 34526 1 . GLY 14 14 34526 1 . GLN 15 15 34526 1 . VAL 16 16 34526 1 . ILE 17 17 34526 1 . HIS 18 18 34526 1 . LYS 19 19 34526 1 . ARG 20 20 34526 1 . CYS 21 21 34526 1 . GLU 22 22 34526 1 . GLU 23 23 34526 1 . MET 24 24 34526 1 . LYS 25 25 34526 1 . TYR 26 26 34526 1 . CYS 27 27 34526 1 . LYS 28 28 34526 1 . LYS 29 29 34526 1 . GLN 30 30 34526 1 . CYS 31 31 34526 1 . ARG 32 32 34526 1 . ARG 33 33 34526 1 . LEU 34 34 34526 1 . GLY 35 35 34526 1 . HIS 36 36 34526 1 . ARG 37 37 34526 1 . VAL 38 38 34526 1 . LEU 39 39 34526 1 . GLY 40 40 34526 1 . LEU 41 41 34526 1 . ILE 42 42 34526 1 . LYS 43 43 34526 1 . PRO 44 44 34526 1 . LEU 45 45 34526 1 . GLU 46 46 34526 1 . MET 47 47 34526 1 . LEU 48 48 34526 1 . GLN 49 49 34526 1 . ASP 50 50 34526 1 . GLN 51 51 34526 1 . GLY 52 52 34526 1 . LYS 53 53 34526 1 . ARG 54 54 34526 1 . SER 55 55 34526 1 . VAL 56 56 34526 1 . PRO 57 57 34526 1 . SER 58 58 34526 1 . GLU 59 59 34526 1 . LYS 60 60 34526 1 . LEU 61 61 34526 1 . THR 62 62 34526 1 . THR 63 63 34526 1 . ALA 64 64 34526 1 . MET 65 65 34526 1 . ASN 66 66 34526 1 . ARG 67 67 34526 1 . PHE 68 68 34526 1 . LYS 69 69 34526 1 . ALA 70 70 34526 1 . ALA 71 71 34526 1 . LEU 72 72 34526 1 . GLU 73 73 34526 1 . GLU 74 74 34526 1 . ALA 75 75 34526 1 . ASN 76 76 34526 1 . GLY 77 77 34526 1 . GLU 78 78 34526 1 . ILE 79 79 34526 1 . GLU 80 80 34526 1 . LYS 81 81 34526 1 . PHE 82 82 34526 1 . SER 83 83 34526 1 . ASN 84 84 34526 1 . ARG 85 85 34526 1 . SER 86 86 34526 1 . ASN 87 87 34526 1 . ILE 88 88 34526 1 . CYS 89 89 34526 1 . ARG 90 90 34526 1 . PHE 91 91 34526 1 . LEU 92 92 34526 1 . THR 93 93 34526 1 . ALA 94 94 34526 1 . SER 95 95 34526 1 . GLN 96 96 34526 1 . ASP 97 97 34526 1 . LYS 98 98 34526 1 . ILE 99 99 34526 1 . LEU 100 100 34526 1 . PHE 101 101 34526 1 . LYS 102 102 34526 1 . ASP 103 103 34526 1 . VAL 104 104 34526 1 . ASN 105 105 34526 1 . ARG 106 106 34526 1 . LYS 107 107 34526 1 . LEU 108 108 34526 1 . SER 109 109 34526 1 . ASP 110 110 34526 1 . VAL 111 111 34526 1 . TRP 112 112 34526 1 . LYS 113 113 34526 1 . GLU 114 114 34526 1 . LEU 115 115 34526 1 . SER 116 116 34526 1 . LEU 117 117 34526 1 . LEU 118 118 34526 1 . LEU 119 119 34526 1 . GLN 120 120 34526 1 . VAL 121 121 34526 1 . GLU 122 122 34526 1 . GLN 123 123 34526 1 . ARG 124 124 34526 1 . MET 125 125 34526 1 . PRO 126 126 34526 1 . VAL 127 127 34526 1 . SER 128 128 34526 1 . PRO 129 129 34526 1 . ILE 130 130 34526 1 . SER 131 131 34526 1 . GLN 132 132 34526 1 . GLY 133 133 34526 1 . ALA 134 134 34526 1 . SER 135 135 34526 1 . TRP 136 136 34526 1 . ALA 137 137 34526 1 . GLN 138 138 34526 1 . GLU 139 139 34526 1 . ASP 140 140 34526 1 . GLN 141 141 34526 1 . GLN 142 142 34526 1 . ASP 143 143 34526 1 . ALA 144 144 34526 1 . ASP 145 145 34526 1 . GLU 146 146 34526 1 . ASP 147 147 34526 1 . ARG 148 148 34526 1 . ARG 149 149 34526 1 . ALA 150 150 34526 1 . PHE 151 151 34526 1 . GLN 152 152 34526 1 . MET 153 153 34526 1 . LEU 154 154 34526 1 . ARG 155 155 34526 1 . ARG 156 156 34526 1 . ASP 157 157 34526 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34526 _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 . 34526 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 34526 _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 . . . . . . . . . . 34526 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34526 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '400 uM [U-13C; U-15N] MLKL, 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 '[U-13C; U-15N]' . . 1 $entity_1 . . 400 . . uM . . . . 34526 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34526 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 34526 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34526 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '430 uM [U-13C; U-15N] MLKL, 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 '[U-13C; U-15N]' . . 1 $entity_1 . . 430 . . uM . . . . 34526 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34526 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 34526 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 34526 _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 34526 1 pH 7.5 . pH 34526 1 pressure 1 . atm 34526 1 temperature 298 . K 34526 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 34526 _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 34526 2 pH 7.1 . pH 34526 2 pressure 1 . atm 34526 2 temperature 298 . K 34526 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34526 _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' . . 34526 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34526 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34526 _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 . . 34526 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34526 2 'peak picking' . 34526 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34526 _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' . . 34526 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34526 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34526 _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' . . 34526 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34526 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 34526 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _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 34526 _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 HD' . 800 . . . 34526 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 34526 _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 . . . . . . . . . . . . . . . . . 34526 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34526 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34526 1 4 '3D HNCCh-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34526 1 5 '3D HNccH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34526 1 6 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34526 1 7 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34526 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34526 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34526 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34526 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34526 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34526 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 34526 _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 0.000 internal indirect 0.251449530 . . . . . 34526 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34526 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34526 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 34526 _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' . . . 34526 1 2 '3D HNCACB' . . . 34526 1 3 '3D 1H-15N NOESY' . . . 34526 1 4 '3D HNCCh-TOCSY' . . . 34526 1 5 '3D HNccH-TOCSY' . . . 34526 1 6 '2D 1H-13C HSQC aliphatic' . . . 34526 1 7 '2D 1H-13C HSQC aromatic' . . . 34526 1 8 '3D HCCH-TOCSY' . . . 34526 1 9 '3D HCCH-TOCSY' . . . 34526 1 10 '3D 1H-13C NOESY aromatic' . . . 34526 1 11 '3D 1H-13C NOESY aliphatic' . . . 34526 1 12 '3D 1H-15N NOESY' . . . 34526 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 3.862 0.000 . . . . . . A -2 GLY HA2 . 34526 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.903 0.000 . . . . . . A -2 GLY HA3 . 34526 1 3 . 1 . 1 1 1 GLY CA C 13 43.272 0.001 . . . . . . A -2 GLY CA . 34526 1 4 . 1 . 1 2 2 SER HA H 1 4.868 0.000 . . . . . . A -1 SER HA . 34526 1 5 . 1 . 1 2 2 SER HB2 H 1 3.961 0.000 . . . . . . A -1 SER HB2 . 34526 1 6 . 1 . 1 2 2 SER HB3 H 1 4.081 0.000 . . . . . . A -1 SER HB3 . 34526 1 7 . 1 . 1 2 2 SER CA C 13 56.779 0.000 . . . . . . A -1 SER CA . 34526 1 8 . 1 . 1 2 2 SER CB C 13 63.011 0.000 . . . . . . A -1 SER CB . 34526 1 9 . 1 . 1 3 3 PRO HA H 1 4.453 0.000 . . . . . . A 0 PRO HA . 34526 1 10 . 1 . 1 3 3 PRO HB2 H 1 2.371 0.000 . . . . . . A 0 PRO HB2 . 34526 1 11 . 1 . 1 3 3 PRO HB3 H 1 1.992 0.000 . . . . . . A 0 PRO HB3 . 34526 1 12 . 1 . 1 3 3 PRO HG2 H 1 2.080 0.000 . . . . . . A 0 PRO HG2 . 34526 1 13 . 1 . 1 3 3 PRO HG3 H 1 2.178 0.000 . . . . . . A 0 PRO HG3 . 34526 1 14 . 1 . 1 3 3 PRO HD2 H 1 3.948 0.000 . . . . . . A 0 PRO HD2 . 34526 1 15 . 1 . 1 3 3 PRO HD3 H 1 3.860 0.000 . . . . . . A 0 PRO HD3 . 34526 1 16 . 1 . 1 3 3 PRO CA C 13 65.154 0.000 . . . . . . A 0 PRO CA . 34526 1 17 . 1 . 1 3 3 PRO CB C 13 31.904 0.006 . . . . . . A 0 PRO CB . 34526 1 18 . 1 . 1 3 3 PRO CG C 13 27.932 0.003 . . . . . . A 0 PRO CG . 34526 1 19 . 1 . 1 3 3 PRO CD C 13 50.649 0.011 . . . . . . A 0 PRO CD . 34526 1 20 . 1 . 1 4 4 GLY H H 1 8.720 0.000 . . . . . . A 1 GLY H . 34526 1 21 . 1 . 1 4 4 GLY HA2 H 1 3.912 0.000 . . . . . . A 1 GLY HA2 . 34526 1 22 . 1 . 1 4 4 GLY HA3 H 1 4.002 0.000 . . . . . . A 1 GLY HA3 . 34526 1 23 . 1 . 1 4 4 GLY CA C 13 46.292 0.001 . . . . . . A 1 GLY CA . 34526 1 24 . 1 . 1 4 4 GLY N N 15 107.725 0.000 . . . . . . A 1 GLY N . 34526 1 25 . 1 . 1 5 5 GLU H H 1 7.940 0.000 . . . . . . A 2 GLU H . 34526 1 26 . 1 . 1 5 5 GLU HA H 1 4.073 0.000 . . . . . . A 2 GLU HA . 34526 1 27 . 1 . 1 5 5 GLU HB2 H 1 2.053 0.000 . . . . . . A 2 GLU HB2 . 34526 1 28 . 1 . 1 5 5 GLU HB3 H 1 2.053 0.000 . . . . . . A 2 GLU HB3 . 34526 1 29 . 1 . 1 5 5 GLU HG2 H 1 2.264 0.000 . . . . . . A 2 GLU HG2 . 34526 1 30 . 1 . 1 5 5 GLU HG3 H 1 2.264 0.000 . . . . . . A 2 GLU HG3 . 34526 1 31 . 1 . 1 5 5 GLU CA C 13 58.445 0.000 . . . . . . A 2 GLU CA . 34526 1 32 . 1 . 1 5 5 GLU CB C 13 29.722 0.000 . . . . . . A 2 GLU CB . 34526 1 33 . 1 . 1 5 5 GLU CG C 13 36.616 0.000 . . . . . . A 2 GLU CG . 34526 1 34 . 1 . 1 5 5 GLU N N 15 122.051 0.000 . . . . . . A 2 GLU N . 34526 1 35 . 1 . 1 6 6 ASN H H 1 8.433 0.000 . . . . . . A 3 ASN H . 34526 1 36 . 1 . 1 6 6 ASN HA H 1 4.568 0.000 . . . . . . A 3 ASN HA . 34526 1 37 . 1 . 1 6 6 ASN HB2 H 1 2.844 0.000 . . . . . . A 3 ASN HB2 . 34526 1 38 . 1 . 1 6 6 ASN HB3 H 1 2.960 0.000 . . . . . . A 3 ASN HB3 . 34526 1 39 . 1 . 1 6 6 ASN HD21 H 1 6.931 0.000 . . . . . . A 3 ASN HD21 . 34526 1 40 . 1 . 1 6 6 ASN HD22 H 1 7.713 0.000 . . . . . . A 3 ASN HD22 . 34526 1 41 . 1 . 1 6 6 ASN CA C 13 55.510 0.000 . . . . . . A 3 ASN CA . 34526 1 42 . 1 . 1 6 6 ASN CB C 13 37.976 0.001 . . . . . . A 3 ASN CB . 34526 1 43 . 1 . 1 6 6 ASN N N 15 118.801 0.000 . . . . . . A 3 ASN N . 34526 1 44 . 1 . 1 6 6 ASN ND2 N 15 111.822 0.019 . . . . . . A 3 ASN ND2 . 34526 1 45 . 1 . 1 7 7 LEU H H 1 8.191 0.000 . . . . . . A 4 LEU H . 34526 1 46 . 1 . 1 7 7 LEU HA H 1 4.098 0.000 . . . . . . A 4 LEU HA . 34526 1 47 . 1 . 1 7 7 LEU HB2 H 1 1.739 0.000 . . . . . . A 4 LEU HB2 . 34526 1 48 . 1 . 1 7 7 LEU HB3 H 1 1.794 0.000 . . . . . . A 4 LEU HB3 . 34526 1 49 . 1 . 1 7 7 LEU HG H 1 1.735 0.000 . . . . . . A 4 LEU HG . 34526 1 50 . 1 . 1 7 7 LEU HD11 H 1 1.027 0.000 . . . . . . A 4 LEU HD11 . 34526 1 51 . 1 . 1 7 7 LEU HD12 H 1 1.027 0.000 . . . . . . A 4 LEU HD12 . 34526 1 52 . 1 . 1 7 7 LEU HD13 H 1 1.027 0.000 . . . . . . A 4 LEU HD13 . 34526 1 53 . 1 . 1 7 7 LEU HD21 H 1 0.967 0.000 . . . . . . A 4 LEU HD21 . 34526 1 54 . 1 . 1 7 7 LEU HD22 H 1 0.967 0.000 . . . . . . A 4 LEU HD22 . 34526 1 55 . 1 . 1 7 7 LEU HD23 H 1 0.967 0.000 . . . . . . A 4 LEU HD23 . 34526 1 56 . 1 . 1 7 7 LEU CA C 13 58.423 0.000 . . . . . . A 4 LEU CA . 34526 1 57 . 1 . 1 7 7 LEU CB C 13 41.808 0.001 . . . . . . A 4 LEU CB . 34526 1 58 . 1 . 1 7 7 LEU CG C 13 27.254 0.000 . . . . . . A 4 LEU CG . 34526 1 59 . 1 . 1 7 7 LEU CD1 C 13 24.897 0.000 . . . . . . A 4 LEU CD1 . 34526 1 60 . 1 . 1 7 7 LEU CD2 C 13 25.480 0.000 . . . . . . A 4 LEU CD2 . 34526 1 61 . 1 . 1 7 7 LEU N N 15 120.648 0.000 . . . . . . A 4 LEU N . 34526 1 62 . 1 . 1 8 8 LYS H H 1 7.778 0.000 . . . . . . A 5 LYS H . 34526 1 63 . 1 . 1 8 8 LYS HA H 1 3.983 0.000 . . . . . . A 5 LYS HA . 34526 1 64 . 1 . 1 8 8 LYS HB2 H 1 1.890 0.000 . . . . . . A 5 LYS HB2 . 34526 1 65 . 1 . 1 8 8 LYS HB3 H 1 1.890 0.000 . . . . . . A 5 LYS HB3 . 34526 1 66 . 1 . 1 8 8 LYS HG2 H 1 1.412 0.000 . . . . . . A 5 LYS HG2 . 34526 1 67 . 1 . 1 8 8 LYS HG3 H 1 1.500 0.000 . . . . . . A 5 LYS HG3 . 34526 1 68 . 1 . 1 8 8 LYS HD2 H 1 1.663 0.000 . . . . . . A 5 LYS HD2 . 34526 1 69 . 1 . 1 8 8 LYS HD3 H 1 1.663 0.000 . . . . . . A 5 LYS HD3 . 34526 1 70 . 1 . 1 8 8 LYS HE2 H 1 2.939 0.000 . . . . . . A 5 LYS HE2 . 34526 1 71 . 1 . 1 8 8 LYS HE3 H 1 2.939 0.000 . . . . . . A 5 LYS HE3 . 34526 1 72 . 1 . 1 8 8 LYS CA C 13 59.695 0.000 . . . . . . A 5 LYS CA . 34526 1 73 . 1 . 1 8 8 LYS CB C 13 31.990 0.000 . . . . . . A 5 LYS CB . 34526 1 74 . 1 . 1 8 8 LYS CG C 13 24.916 0.002 . . . . . . A 5 LYS CG . 34526 1 75 . 1 . 1 8 8 LYS CD C 13 29.145 0.000 . . . . . . A 5 LYS CD . 34526 1 76 . 1 . 1 8 8 LYS CE C 13 41.834 0.000 . . . . . . A 5 LYS CE . 34526 1 77 . 1 . 1 8 8 LYS N N 15 118.131 0.000 . . . . . . A 5 LYS N . 34526 1 78 . 1 . 1 9 9 HIS H H 1 8.107 0.000 . . . . . . A 6 HIS H . 34526 1 79 . 1 . 1 9 9 HIS HA H 1 4.428 0.000 . . . . . . A 6 HIS HA . 34526 1 80 . 1 . 1 9 9 HIS HB2 H 1 3.248 0.000 . . . . . . A 6 HIS HB2 . 34526 1 81 . 1 . 1 9 9 HIS HB3 H 1 3.286 0.000 . . . . . . A 6 HIS HB3 . 34526 1 82 . 1 . 1 9 9 HIS HD2 H 1 6.943 0.000 . . . . . . A 6 HIS HD2 . 34526 1 83 . 1 . 1 9 9 HIS HE1 H 1 7.838 0.000 . . . . . . A 6 HIS HE1 . 34526 1 84 . 1 . 1 9 9 HIS CA C 13 59.023 0.000 . . . . . . A 6 HIS CA . 34526 1 85 . 1 . 1 9 9 HIS CB C 13 30.748 0.006 . . . . . . A 6 HIS CB . 34526 1 86 . 1 . 1 9 9 HIS CD2 C 13 118.525 0.000 . . . . . . A 6 HIS CD2 . 34526 1 87 . 1 . 1 9 9 HIS CE1 C 13 138.688 0.000 . . . . . . A 6 HIS CE1 . 34526 1 88 . 1 . 1 9 9 HIS N N 15 118.802 0.000 . . . . . . A 6 HIS N . 34526 1 89 . 1 . 1 10 10 ILE H H 1 7.978 0.000 . . . . . . A 7 ILE H . 34526 1 90 . 1 . 1 10 10 ILE HA H 1 3.423 0.000 . . . . . . A 7 ILE HA . 34526 1 91 . 1 . 1 10 10 ILE HB H 1 2.117 0.000 . . . . . . A 7 ILE HB . 34526 1 92 . 1 . 1 10 10 ILE HG12 H 1 0.765 0.000 . . . . . . A 7 ILE HG12 . 34526 1 93 . 1 . 1 10 10 ILE HG13 H 1 2.018 0.000 . . . . . . A 7 ILE HG13 . 34526 1 94 . 1 . 1 10 10 ILE HG21 H 1 0.882 0.000 . . . . . . A 7 ILE HG21 . 34526 1 95 . 1 . 1 10 10 ILE HG22 H 1 0.882 0.000 . . . . . . A 7 ILE HG22 . 34526 1 96 . 1 . 1 10 10 ILE HG23 H 1 0.882 0.000 . . . . . . A 7 ILE HG23 . 34526 1 97 . 1 . 1 10 10 ILE HD11 H 1 1.067 0.000 . . . . . . A 7 ILE HD11 . 34526 1 98 . 1 . 1 10 10 ILE HD12 H 1 1.067 0.000 . . . . . . A 7 ILE HD12 . 34526 1 99 . 1 . 1 10 10 ILE HD13 H 1 1.067 0.000 . . . . . . A 7 ILE HD13 . 34526 1 100 . 1 . 1 10 10 ILE CA C 13 66.113 0.000 . . . . . . A 7 ILE CA . 34526 1 101 . 1 . 1 10 10 ILE CB C 13 38.372 0.000 . . . . . . A 7 ILE CB . 34526 1 102 . 1 . 1 10 10 ILE CG1 C 13 30.833 0.003 . . . . . . A 7 ILE CG1 . 34526 1 103 . 1 . 1 10 10 ILE CG2 C 13 18.330 0.000 . . . . . . A 7 ILE CG2 . 34526 1 104 . 1 . 1 10 10 ILE CD1 C 13 14.612 0.000 . . . . . . A 7 ILE CD1 . 34526 1 105 . 1 . 1 10 10 ILE N N 15 120.318 0.000 . . . . . . A 7 ILE N . 34526 1 106 . 1 . 1 11 11 ILE H H 1 8.146 0.000 . . . . . . A 8 ILE H . 34526 1 107 . 1 . 1 11 11 ILE HA H 1 3.581 0.000 . . . . . . A 8 ILE HA . 34526 1 108 . 1 . 1 11 11 ILE HB H 1 1.868 0.000 . . . . . . A 8 ILE HB . 34526 1 109 . 1 . 1 11 11 ILE HG12 H 1 0.966 0.000 . . . . . . A 8 ILE HG12 . 34526 1 110 . 1 . 1 11 11 ILE HG13 H 1 1.784 0.000 . . . . . . A 8 ILE HG13 . 34526 1 111 . 1 . 1 11 11 ILE HG21 H 1 0.906 0.000 . . . . . . A 8 ILE HG21 . 34526 1 112 . 1 . 1 11 11 ILE HG22 H 1 0.906 0.000 . . . . . . A 8 ILE HG22 . 34526 1 113 . 1 . 1 11 11 ILE HG23 H 1 0.906 0.000 . . . . . . A 8 ILE HG23 . 34526 1 114 . 1 . 1 11 11 ILE HD11 H 1 0.766 0.000 . . . . . . A 8 ILE HD11 . 34526 1 115 . 1 . 1 11 11 ILE HD12 H 1 0.766 0.000 . . . . . . A 8 ILE HD12 . 34526 1 116 . 1 . 1 11 11 ILE HD13 H 1 0.766 0.000 . . . . . . A 8 ILE HD13 . 34526 1 117 . 1 . 1 11 11 ILE CA C 13 65.953 0.000 . . . . . . A 8 ILE CA . 34526 1 118 . 1 . 1 11 11 ILE CB C 13 38.618 0.000 . . . . . . A 8 ILE CB . 34526 1 119 . 1 . 1 11 11 ILE CG1 C 13 30.243 0.046 . . . . . . A 8 ILE CG1 . 34526 1 120 . 1 . 1 11 11 ILE CG2 C 13 17.478 0.000 . . . . . . A 8 ILE CG2 . 34526 1 121 . 1 . 1 11 11 ILE CD1 C 13 14.375 0.000 . . . . . . A 8 ILE CD1 . 34526 1 122 . 1 . 1 11 11 ILE N N 15 119.844 0.000 . . . . . . A 8 ILE N . 34526 1 123 . 1 . 1 12 12 THR H H 1 8.294 0.000 . . . . . . A 9 THR H . 34526 1 124 . 1 . 1 12 12 THR HA H 1 3.894 0.000 . . . . . . A 9 THR HA . 34526 1 125 . 1 . 1 12 12 THR HB H 1 4.210 0.000 . . . . . . A 9 THR HB . 34526 1 126 . 1 . 1 12 12 THR HG21 H 1 1.234 0.000 . . . . . . A 9 THR HG21 . 34526 1 127 . 1 . 1 12 12 THR HG22 H 1 1.234 0.000 . . . . . . A 9 THR HG22 . 34526 1 128 . 1 . 1 12 12 THR HG23 H 1 1.234 0.000 . . . . . . A 9 THR HG23 . 34526 1 129 . 1 . 1 12 12 THR CA C 13 66.751 0.000 . . . . . . A 9 THR CA . 34526 1 130 . 1 . 1 12 12 THR CB C 13 69.196 0.000 . . . . . . A 9 THR CB . 34526 1 131 . 1 . 1 12 12 THR CG2 C 13 22.013 0.000 . . . . . . A 9 THR CG2 . 34526 1 132 . 1 . 1 12 12 THR N N 15 115.389 0.000 . . . . . . A 9 THR N . 34526 1 133 . 1 . 1 13 13 LEU H H 1 8.105 0.000 . . . . . . A 10 LEU H . 34526 1 134 . 1 . 1 13 13 LEU HA H 1 4.073 0.000 . . . . . . A 10 LEU HA . 34526 1 135 . 1 . 1 13 13 LEU HB2 H 1 1.611 0.000 . . . . . . A 10 LEU HB2 . 34526 1 136 . 1 . 1 13 13 LEU HB3 H 1 1.611 0.000 . . . . . . A 10 LEU HB3 . 34526 1 137 . 1 . 1 13 13 LEU HG H 1 1.459 0.000 . . . . . . A 10 LEU HG . 34526 1 138 . 1 . 1 13 13 LEU HD11 H 1 0.810 0.000 . . . . . . A 10 LEU HD11 . 34526 1 139 . 1 . 1 13 13 LEU HD12 H 1 0.810 0.000 . . . . . . A 10 LEU HD12 . 34526 1 140 . 1 . 1 13 13 LEU HD13 H 1 0.810 0.000 . . . . . . A 10 LEU HD13 . 34526 1 141 . 1 . 1 13 13 LEU HD21 H 1 0.847 0.000 . . . . . . A 10 LEU HD21 . 34526 1 142 . 1 . 1 13 13 LEU HD22 H 1 0.847 0.000 . . . . . . A 10 LEU HD22 . 34526 1 143 . 1 . 1 13 13 LEU HD23 H 1 0.847 0.000 . . . . . . A 10 LEU HD23 . 34526 1 144 . 1 . 1 13 13 LEU CA C 13 57.853 0.000 . . . . . . A 10 LEU CA . 34526 1 145 . 1 . 1 13 13 LEU CB C 13 42.034 0.000 . . . . . . A 10 LEU CB . 34526 1 146 . 1 . 1 13 13 LEU CG C 13 27.343 0.000 . . . . . . A 10 LEU CG . 34526 1 147 . 1 . 1 13 13 LEU CD1 C 13 26.440 0.000 . . . . . . A 10 LEU CD1 . 34526 1 148 . 1 . 1 13 13 LEU CD2 C 13 23.438 0.000 . . . . . . A 10 LEU CD2 . 34526 1 149 . 1 . 1 13 13 LEU N N 15 122.262 0.000 . . . . . . A 10 LEU N . 34526 1 150 . 1 . 1 14 14 GLY H H 1 8.632 0.000 . . . . . . A 11 GLY H . 34526 1 151 . 1 . 1 14 14 GLY HA2 H 1 3.536 0.000 . . . . . . A 11 GLY HA2 . 34526 1 152 . 1 . 1 14 14 GLY HA3 H 1 3.614 0.000 . . . . . . A 11 GLY HA3 . 34526 1 153 . 1 . 1 14 14 GLY CA C 13 47.503 0.012 . . . . . . A 11 GLY CA . 34526 1 154 . 1 . 1 14 14 GLY N N 15 105.671 0.000 . . . . . . A 11 GLY N . 34526 1 155 . 1 . 1 15 15 GLN H H 1 8.092 0.000 . . . . . . A 12 GLN H . 34526 1 156 . 1 . 1 15 15 GLN HA H 1 4.012 0.000 . . . . . . A 12 GLN HA . 34526 1 157 . 1 . 1 15 15 GLN HB2 H 1 2.036 0.000 . . . . . . A 12 GLN HB2 . 34526 1 158 . 1 . 1 15 15 GLN HB3 H 1 2.421 0.000 . . . . . . A 12 GLN HB3 . 34526 1 159 . 1 . 1 15 15 GLN HG2 H 1 2.666 0.000 . . . . . . A 12 GLN HG2 . 34526 1 160 . 1 . 1 15 15 GLN HG3 H 1 2.334 0.000 . . . . . . A 12 GLN HG3 . 34526 1 161 . 1 . 1 15 15 GLN HE21 H 1 6.673 0.000 . . . . . . A 12 GLN HE21 . 34526 1 162 . 1 . 1 15 15 GLN HE22 H 1 7.261 0.000 . . . . . . A 12 GLN HE22 . 34526 1 163 . 1 . 1 15 15 GLN CA C 13 59.339 0.000 . . . . . . A 12 GLN CA . 34526 1 164 . 1 . 1 15 15 GLN CB C 13 27.623 0.019 . . . . . . A 12 GLN CB . 34526 1 165 . 1 . 1 15 15 GLN CG C 13 33.793 0.003 . . . . . . A 12 GLN CG . 34526 1 166 . 1 . 1 15 15 GLN N N 15 119.712 0.000 . . . . . . A 12 GLN N . 34526 1 167 . 1 . 1 15 15 GLN NE2 N 15 110.856 0.001 . . . . . . A 12 GLN NE2 . 34526 1 168 . 1 . 1 16 16 VAL H H 1 8.465 0.000 . . . . . . A 13 VAL H . 34526 1 169 . 1 . 1 16 16 VAL HA H 1 3.699 0.000 . . . . . . A 13 VAL HA . 34526 1 170 . 1 . 1 16 16 VAL HB H 1 2.372 0.000 . . . . . . A 13 VAL HB . 34526 1 171 . 1 . 1 16 16 VAL HG11 H 1 0.956 0.000 . . . . . . A 13 VAL HG11 . 34526 1 172 . 1 . 1 16 16 VAL HG12 H 1 0.956 0.000 . . . . . . A 13 VAL HG12 . 34526 1 173 . 1 . 1 16 16 VAL HG13 H 1 0.956 0.000 . . . . . . A 13 VAL HG13 . 34526 1 174 . 1 . 1 16 16 VAL HG21 H 1 1.092 0.000 . . . . . . A 13 VAL HG21 . 34526 1 175 . 1 . 1 16 16 VAL HG22 H 1 1.092 0.000 . . . . . . A 13 VAL HG22 . 34526 1 176 . 1 . 1 16 16 VAL HG23 H 1 1.092 0.000 . . . . . . A 13 VAL HG23 . 34526 1 177 . 1 . 1 16 16 VAL CA C 13 66.729 0.000 . . . . . . A 13 VAL CA . 34526 1 178 . 1 . 1 16 16 VAL CB C 13 31.753 0.000 . . . . . . A 13 VAL CB . 34526 1 179 . 1 . 1 16 16 VAL CG1 C 13 20.758 0.000 . . . . . . A 13 VAL CG1 . 34526 1 180 . 1 . 1 16 16 VAL CG2 C 13 23.130 0.000 . . . . . . A 13 VAL CG2 . 34526 1 181 . 1 . 1 16 16 VAL N N 15 122.970 0.000 . . . . . . A 13 VAL N . 34526 1 182 . 1 . 1 17 17 ILE H H 1 8.536 0.000 . . . . . . A 14 ILE H . 34526 1 183 . 1 . 1 17 17 ILE HA H 1 3.507 0.000 . . . . . . A 14 ILE HA . 34526 1 184 . 1 . 1 17 17 ILE HB H 1 2.020 0.000 . . . . . . A 14 ILE HB . 34526 1 185 . 1 . 1 17 17 ILE HG12 H 1 1.785 0.000 . . . . . . A 14 ILE HG12 . 34526 1 186 . 1 . 1 17 17 ILE HG13 H 1 0.897 0.000 . . . . . . A 14 ILE HG13 . 34526 1 187 . 1 . 1 17 17 ILE HG21 H 1 0.722 0.000 . . . . . . A 14 ILE HG21 . 34526 1 188 . 1 . 1 17 17 ILE HG22 H 1 0.722 0.000 . . . . . . A 14 ILE HG22 . 34526 1 189 . 1 . 1 17 17 ILE HG23 H 1 0.722 0.000 . . . . . . A 14 ILE HG23 . 34526 1 190 . 1 . 1 17 17 ILE HD11 H 1 0.847 0.000 . . . . . . A 14 ILE HD11 . 34526 1 191 . 1 . 1 17 17 ILE HD12 H 1 0.847 0.000 . . . . . . A 14 ILE HD12 . 34526 1 192 . 1 . 1 17 17 ILE HD13 H 1 0.847 0.000 . . . . . . A 14 ILE HD13 . 34526 1 193 . 1 . 1 17 17 ILE CA C 13 65.821 0.000 . . . . . . A 14 ILE CA . 34526 1 194 . 1 . 1 17 17 ILE CB C 13 38.131 0.000 . . . . . . A 14 ILE CB . 34526 1 195 . 1 . 1 17 17 ILE CG1 C 13 30.137 0.009 . . . . . . A 14 ILE CG1 . 34526 1 196 . 1 . 1 17 17 ILE CG2 C 13 16.934 0.000 . . . . . . A 14 ILE CG2 . 34526 1 197 . 1 . 1 17 17 ILE CD1 C 13 15.998 0.000 . . . . . . A 14 ILE CD1 . 34526 1 198 . 1 . 1 17 17 ILE N N 15 121.230 0.000 . . . . . . A 14 ILE N . 34526 1 199 . 1 . 1 18 18 HIS H H 1 8.275 0.000 . . . . . . A 15 HIS H . 34526 1 200 . 1 . 1 18 18 HIS HA H 1 3.937 0.000 . . . . . . A 15 HIS HA . 34526 1 201 . 1 . 1 18 18 HIS HB2 H 1 3.178 0.000 . . . . . . A 15 HIS HB2 . 34526 1 202 . 1 . 1 18 18 HIS HB3 H 1 3.178 0.000 . . . . . . A 15 HIS HB3 . 34526 1 203 . 1 . 1 18 18 HIS HD2 H 1 6.847 0.000 . . . . . . A 15 HIS HD2 . 34526 1 204 . 1 . 1 18 18 HIS HE1 H 1 7.654 0.000 . . . . . . A 15 HIS HE1 . 34526 1 205 . 1 . 1 18 18 HIS CA C 13 61.336 0.000 . . . . . . A 15 HIS CA . 34526 1 206 . 1 . 1 18 18 HIS CB C 13 29.833 0.000 . . . . . . A 15 HIS CB . 34526 1 207 . 1 . 1 18 18 HIS CD2 C 13 121.657 0.000 . . . . . . A 15 HIS CD2 . 34526 1 208 . 1 . 1 18 18 HIS CE1 C 13 137.907 0.000 . . . . . . A 15 HIS CE1 . 34526 1 209 . 1 . 1 18 18 HIS N N 15 119.059 0.000 . . . . . . A 15 HIS N . 34526 1 210 . 1 . 1 19 19 LYS H H 1 7.848 0.000 . . . . . . A 16 LYS H . 34526 1 211 . 1 . 1 19 19 LYS HA H 1 3.686 0.000 . . . . . . A 16 LYS HA . 34526 1 212 . 1 . 1 19 19 LYS HB2 H 1 1.955 0.000 . . . . . . A 16 LYS HB2 . 34526 1 213 . 1 . 1 19 19 LYS HB3 H 1 1.955 0.000 . . . . . . A 16 LYS HB3 . 34526 1 214 . 1 . 1 19 19 LYS HG2 H 1 1.505 0.000 . . . . . . A 16 LYS HG2 . 34526 1 215 . 1 . 1 19 19 LYS HG3 H 1 1.385 0.000 . . . . . . A 16 LYS HG3 . 34526 1 216 . 1 . 1 19 19 LYS HD2 H 1 1.671 0.000 . . . . . . A 16 LYS HD2 . 34526 1 217 . 1 . 1 19 19 LYS HD3 H 1 1.671 0.000 . . . . . . A 16 LYS HD3 . 34526 1 218 . 1 . 1 19 19 LYS HE2 H 1 2.980 0.000 . . . . . . A 16 LYS HE2 . 34526 1 219 . 1 . 1 19 19 LYS HE3 H 1 2.980 0.000 . . . . . . A 16 LYS HE3 . 34526 1 220 . 1 . 1 19 19 LYS CA C 13 59.490 0.000 . . . . . . A 16 LYS CA . 34526 1 221 . 1 . 1 19 19 LYS CB C 13 32.100 0.000 . . . . . . A 16 LYS CB . 34526 1 222 . 1 . 1 19 19 LYS CG C 13 24.808 0.001 . . . . . . A 16 LYS CG . 34526 1 223 . 1 . 1 19 19 LYS CD C 13 29.225 0.000 . . . . . . A 16 LYS CD . 34526 1 224 . 1 . 1 19 19 LYS CE C 13 41.880 0.000 . . . . . . A 16 LYS CE . 34526 1 225 . 1 . 1 19 19 LYS N N 15 118.491 0.000 . . . . . . A 16 LYS N . 34526 1 226 . 1 . 1 20 20 ARG H H 1 8.403 0.000 . . . . . . A 17 ARG H . 34526 1 227 . 1 . 1 20 20 ARG HA H 1 3.986 0.000 . . . . . . A 17 ARG HA . 34526 1 228 . 1 . 1 20 20 ARG HB2 H 1 1.903 0.000 . . . . . . A 17 ARG HB2 . 34526 1 229 . 1 . 1 20 20 ARG HB3 H 1 1.984 0.000 . . . . . . A 17 ARG HB3 . 34526 1 230 . 1 . 1 20 20 ARG HG2 H 1 1.719 0.000 . . . . . . A 17 ARG HG2 . 34526 1 231 . 1 . 1 20 20 ARG HG3 H 1 1.719 0.000 . . . . . . A 17 ARG HG3 . 34526 1 232 . 1 . 1 20 20 ARG HD2 H 1 3.084 0.000 . . . . . . A 17 ARG HD2 . 34526 1 233 . 1 . 1 20 20 ARG HD3 H 1 3.084 0.000 . . . . . . A 17 ARG HD3 . 34526 1 234 . 1 . 1 20 20 ARG CA C 13 59.130 0.000 . . . . . . A 17 ARG CA . 34526 1 235 . 1 . 1 20 20 ARG CB C 13 30.491 0.003 . . . . . . A 17 ARG CB . 34526 1 236 . 1 . 1 20 20 ARG CG C 13 27.640 0.017 . . . . . . A 17 ARG CG . 34526 1 237 . 1 . 1 20 20 ARG CD C 13 43.438 0.000 . . . . . . A 17 ARG CD . 34526 1 238 . 1 . 1 20 20 ARG N N 15 117.774 0.000 . . . . . . A 17 ARG N . 34526 1 239 . 1 . 1 21 21 CYS H H 1 8.608 0.000 . . . . . . A 18 CYS H . 34526 1 240 . 1 . 1 21 21 CYS HA H 1 3.913 0.000 . . . . . . A 18 CYS HA . 34526 1 241 . 1 . 1 21 21 CYS HB2 H 1 2.600 0.000 . . . . . . A 18 CYS HB2 . 34526 1 242 . 1 . 1 21 21 CYS HB3 H 1 3.115 0.000 . . . . . . A 18 CYS HB3 . 34526 1 243 . 1 . 1 21 21 CYS CA C 13 65.986 0.000 . . . . . . A 18 CYS CA . 34526 1 244 . 1 . 1 21 21 CYS CB C 13 27.458 0.009 . . . . . . A 18 CYS CB . 34526 1 245 . 1 . 1 21 21 CYS N N 15 118.351 0.000 . . . . . . A 18 CYS N . 34526 1 246 . 1 . 1 22 22 GLU H H 1 7.590 0.000 . . . . . . A 19 GLU H . 34526 1 247 . 1 . 1 22 22 GLU HA H 1 3.829 0.000 . . . . . . A 19 GLU HA . 34526 1 248 . 1 . 1 22 22 GLU HB2 H 1 1.941 0.000 . . . . . . A 19 GLU HB2 . 34526 1 249 . 1 . 1 22 22 GLU HB3 H 1 2.032 0.000 . . . . . . A 19 GLU HB3 . 34526 1 250 . 1 . 1 22 22 GLU HG2 H 1 1.957 0.000 . . . . . . A 19 GLU HG2 . 34526 1 251 . 1 . 1 22 22 GLU HG3 H 1 1.957 0.000 . . . . . . A 19 GLU HG3 . 34526 1 252 . 1 . 1 22 22 GLU CA C 13 58.262 0.000 . . . . . . A 19 GLU CA . 34526 1 253 . 1 . 1 22 22 GLU CB C 13 29.994 0.003 . . . . . . A 19 GLU CB . 34526 1 254 . 1 . 1 22 22 GLU CG C 13 36.350 0.000 . . . . . . A 19 GLU CG . 34526 1 255 . 1 . 1 22 22 GLU N N 15 117.982 0.000 . . . . . . A 19 GLU N . 34526 1 256 . 1 . 1 23 23 GLU H H 1 7.231 0.000 . . . . . . A 20 GLU H . 34526 1 257 . 1 . 1 23 23 GLU HA H 1 4.235 0.000 . . . . . . A 20 GLU HA . 34526 1 258 . 1 . 1 23 23 GLU HB2 H 1 1.994 0.000 . . . . . . A 20 GLU HB2 . 34526 1 259 . 1 . 1 23 23 GLU HB3 H 1 2.111 0.000 . . . . . . A 20 GLU HB3 . 34526 1 260 . 1 . 1 23 23 GLU HG2 H 1 2.241 0.000 . . . . . . A 20 GLU HG2 . 34526 1 261 . 1 . 1 23 23 GLU HG3 H 1 2.458 0.000 . . . . . . A 20 GLU HG3 . 34526 1 262 . 1 . 1 23 23 GLU CA C 13 55.737 0.000 . . . . . . A 20 GLU CA . 34526 1 263 . 1 . 1 23 23 GLU CB C 13 30.507 0.042 . . . . . . A 20 GLU CB . 34526 1 264 . 1 . 1 23 23 GLU CG C 13 36.312 0.052 . . . . . . A 20 GLU CG . 34526 1 265 . 1 . 1 23 23 GLU N N 15 115.349 0.000 . . . . . . A 20 GLU N . 34526 1 266 . 1 . 1 24 24 MET H H 1 6.998 0.000 . . . . . . A 21 MET H . 34526 1 267 . 1 . 1 24 24 MET HA H 1 4.259 0.000 . . . . . . A 21 MET HA . 34526 1 268 . 1 . 1 24 24 MET HB2 H 1 2.006 0.000 . . . . . . A 21 MET HB2 . 34526 1 269 . 1 . 1 24 24 MET HB3 H 1 2.456 0.000 . . . . . . A 21 MET HB3 . 34526 1 270 . 1 . 1 24 24 MET HG2 H 1 3.025 0.000 . . . . . . A 21 MET HG2 . 34526 1 271 . 1 . 1 24 24 MET HG3 H 1 2.949 0.000 . . . . . . A 21 MET HG3 . 34526 1 272 . 1 . 1 24 24 MET HE1 H 1 2.256 0.000 . . . . . . A 21 MET HE1 . 34526 1 273 . 1 . 1 24 24 MET HE2 H 1 2.256 0.000 . . . . . . A 21 MET HE2 . 34526 1 274 . 1 . 1 24 24 MET HE3 H 1 2.256 0.000 . . . . . . A 21 MET HE3 . 34526 1 275 . 1 . 1 24 24 MET CA C 13 56.555 0.000 . . . . . . A 21 MET CA . 34526 1 276 . 1 . 1 24 24 MET CB C 13 33.065 0.037 . . . . . . A 21 MET CB . 34526 1 277 . 1 . 1 24 24 MET CG C 13 33.130 0.001 . . . . . . A 21 MET CG . 34526 1 278 . 1 . 1 24 24 MET CE C 13 18.582 0.000 . . . . . . A 21 MET CE . 34526 1 279 . 1 . 1 24 24 MET N N 15 120.650 0.000 . . . . . . A 21 MET N . 34526 1 280 . 1 . 1 25 25 LYS H H 1 8.850 0.000 . . . . . . A 22 LYS H . 34526 1 281 . 1 . 1 25 25 LYS HA H 1 3.960 0.000 . . . . . . A 22 LYS HA . 34526 1 282 . 1 . 1 25 25 LYS HB2 H 1 1.099 0.000 . . . . . . A 22 LYS HB2 . 34526 1 283 . 1 . 1 25 25 LYS HB3 H 1 1.307 0.000 . . . . . . A 22 LYS HB3 . 34526 1 284 . 1 . 1 25 25 LYS HG2 H 1 1.217 0.000 . . . . . . A 22 LYS HG2 . 34526 1 285 . 1 . 1 25 25 LYS HG3 H 1 1.373 0.000 . . . . . . A 22 LYS HG3 . 34526 1 286 . 1 . 1 25 25 LYS HD2 H 1 1.608 0.000 . . . . . . A 22 LYS HD2 . 34526 1 287 . 1 . 1 25 25 LYS HD3 H 1 1.608 0.000 . . . . . . A 22 LYS HD3 . 34526 1 288 . 1 . 1 25 25 LYS HE2 H 1 2.997 0.000 . . . . . . A 22 LYS HE2 . 34526 1 289 . 1 . 1 25 25 LYS HE3 H 1 2.997 0.000 . . . . . . A 22 LYS HE3 . 34526 1 290 . 1 . 1 25 25 LYS CA C 13 57.153 0.000 . . . . . . A 22 LYS CA . 34526 1 291 . 1 . 1 25 25 LYS CB C 13 33.535 0.002 . . . . . . A 22 LYS CB . 34526 1 292 . 1 . 1 25 25 LYS CG C 13 25.165 0.006 . . . . . . A 22 LYS CG . 34526 1 293 . 1 . 1 25 25 LYS CD C 13 28.942 0.000 . . . . . . A 22 LYS CD . 34526 1 294 . 1 . 1 25 25 LYS CE C 13 41.897 0.000 . . . . . . A 22 LYS CE . 34526 1 295 . 1 . 1 25 25 LYS N N 15 120.614 0.000 . . . . . . A 22 LYS N . 34526 1 296 . 1 . 1 26 26 TYR H H 1 7.351 0.000 . . . . . . A 23 TYR H . 34526 1 297 . 1 . 1 26 26 TYR HA H 1 4.983 0.000 . . . . . . A 23 TYR HA . 34526 1 298 . 1 . 1 26 26 TYR HB2 H 1 2.841 0.000 . . . . . . A 23 TYR HB2 . 34526 1 299 . 1 . 1 26 26 TYR HB3 H 1 3.266 0.000 . . . . . . A 23 TYR HB3 . 34526 1 300 . 1 . 1 26 26 TYR HD1 H 1 7.293 0.000 . . . . . . A 23 TYR HD1 . 34526 1 301 . 1 . 1 26 26 TYR HD2 H 1 7.293 0.000 . . . . . . A 23 TYR HD2 . 34526 1 302 . 1 . 1 26 26 TYR HE1 H 1 6.962 0.000 . . . . . . A 23 TYR HE1 . 34526 1 303 . 1 . 1 26 26 TYR HE2 H 1 6.962 0.000 . . . . . . A 23 TYR HE2 . 34526 1 304 . 1 . 1 26 26 TYR CA C 13 54.934 0.000 . . . . . . A 23 TYR CA . 34526 1 305 . 1 . 1 26 26 TYR CB C 13 41.830 0.017 . . . . . . A 23 TYR CB . 34526 1 306 . 1 . 1 26 26 TYR CD1 C 13 134.047 0.000 . . . . . . A 23 TYR CD1 . 34526 1 307 . 1 . 1 26 26 TYR CD2 C 13 134.047 0.000 . . . . . . A 23 TYR CD2 . 34526 1 308 . 1 . 1 26 26 TYR CE1 C 13 118.237 0.000 . . . . . . A 23 TYR CE1 . 34526 1 309 . 1 . 1 26 26 TYR CE2 C 13 118.047 0.000 . . . . . . A 23 TYR CE2 . 34526 1 310 . 1 . 1 26 26 TYR N N 15 115.698 0.000 . . . . . . A 23 TYR N . 34526 1 311 . 1 . 1 27 27 CYS H H 1 8.813 0.000 . . . . . . A 24 CYS H . 34526 1 312 . 1 . 1 27 27 CYS HA H 1 3.745 0.000 . . . . . . A 24 CYS HA . 34526 1 313 . 1 . 1 27 27 CYS HB2 H 1 2.850 0.000 . . . . . . A 24 CYS HB2 . 34526 1 314 . 1 . 1 27 27 CYS HB3 H 1 2.908 0.000 . . . . . . A 24 CYS HB3 . 34526 1 315 . 1 . 1 27 27 CYS CA C 13 60.380 0.000 . . . . . . A 24 CYS CA . 34526 1 316 . 1 . 1 27 27 CYS CB C 13 25.872 0.003 . . . . . . A 24 CYS CB . 34526 1 317 . 1 . 1 27 27 CYS N N 15 113.898 0.000 . . . . . . A 24 CYS N . 34526 1 318 . 1 . 1 28 28 LYS H H 1 8.140 0.000 . . . . . . A 25 LYS H . 34526 1 319 . 1 . 1 28 28 LYS HA H 1 3.612 0.000 . . . . . . A 25 LYS HA . 34526 1 320 . 1 . 1 28 28 LYS HB2 H 1 1.692 0.000 . . . . . . A 25 LYS HB2 . 34526 1 321 . 1 . 1 28 28 LYS HB3 H 1 1.692 0.000 . . . . . . A 25 LYS HB3 . 34526 1 322 . 1 . 1 28 28 LYS HG2 H 1 1.287 0.000 . . . . . . A 25 LYS HG2 . 34526 1 323 . 1 . 1 28 28 LYS HG3 H 1 1.431 0.000 . . . . . . A 25 LYS HG3 . 34526 1 324 . 1 . 1 28 28 LYS HD2 H 1 1.680 0.000 . . . . . . A 25 LYS HD2 . 34526 1 325 . 1 . 1 28 28 LYS HD3 H 1 1.680 0.000 . . . . . . A 25 LYS HD3 . 34526 1 326 . 1 . 1 28 28 LYS HE2 H 1 2.961 0.000 . . . . . . A 25 LYS HE2 . 34526 1 327 . 1 . 1 28 28 LYS HE3 H 1 2.961 0.000 . . . . . . A 25 LYS HE3 . 34526 1 328 . 1 . 1 28 28 LYS CA C 13 60.703 0.000 . . . . . . A 25 LYS CA . 34526 1 329 . 1 . 1 28 28 LYS CB C 13 33.252 0.000 . . . . . . A 25 LYS CB . 34526 1 330 . 1 . 1 28 28 LYS CG C 13 24.898 0.048 . . . . . . A 25 LYS CG . 34526 1 331 . 1 . 1 28 28 LYS CD C 13 29.531 0.000 . . . . . . A 25 LYS CD . 34526 1 332 . 1 . 1 28 28 LYS CE C 13 41.506 0.000 . . . . . . A 25 LYS CE . 34526 1 333 . 1 . 1 28 28 LYS N N 15 115.888 0.000 . . . . . . A 25 LYS N . 34526 1 334 . 1 . 1 29 29 LYS H H 1 10.658 0.000 . . . . . . A 26 LYS H . 34526 1 335 . 1 . 1 29 29 LYS HA H 1 4.020 0.000 . . . . . . A 26 LYS HA . 34526 1 336 . 1 . 1 29 29 LYS HB2 H 1 1.735 0.000 . . . . . . A 26 LYS HB2 . 34526 1 337 . 1 . 1 29 29 LYS HB3 H 1 2.197 0.000 . . . . . . A 26 LYS HB3 . 34526 1 338 . 1 . 1 29 29 LYS HG2 H 1 1.512 0.000 . . . . . . A 26 LYS HG2 . 34526 1 339 . 1 . 1 29 29 LYS HG3 H 1 1.512 0.000 . . . . . . A 26 LYS HG3 . 34526 1 340 . 1 . 1 29 29 LYS HD2 H 1 1.629 0.000 . . . . . . A 26 LYS HD2 . 34526 1 341 . 1 . 1 29 29 LYS HD3 H 1 1.629 0.000 . . . . . . A 26 LYS HD3 . 34526 1 342 . 1 . 1 29 29 LYS HE2 H 1 3.006 0.000 . . . . . . A 26 LYS HE2 . 34526 1 343 . 1 . 1 29 29 LYS HE3 H 1 3.006 0.000 . . . . . . A 26 LYS HE3 . 34526 1 344 . 1 . 1 29 29 LYS CA C 13 58.998 0.000 . . . . . . A 26 LYS CA . 34526 1 345 . 1 . 1 29 29 LYS CB C 13 30.190 0.040 . . . . . . A 26 LYS CB . 34526 1 346 . 1 . 1 29 29 LYS CG C 13 24.861 0.000 . . . . . . A 26 LYS CG . 34526 1 347 . 1 . 1 29 29 LYS CD C 13 27.723 0.000 . . . . . . A 26 LYS CD . 34526 1 348 . 1 . 1 29 29 LYS CE C 13 41.900 0.000 . . . . . . A 26 LYS CE . 34526 1 349 . 1 . 1 29 29 LYS N N 15 120.808 0.000 . . . . . . A 26 LYS N . 34526 1 350 . 1 . 1 30 30 GLN H H 1 9.962 0.000 . . . . . . A 27 GLN H . 34526 1 351 . 1 . 1 30 30 GLN HA H 1 4.275 0.000 . . . . . . A 27 GLN HA . 34526 1 352 . 1 . 1 30 30 GLN HE21 H 1 9.343 0.000 . . . . . . A 27 GLN HE21 . 34526 1 353 . 1 . 1 30 30 GLN HE22 H 1 7.180 0.000 . . . . . . A 27 GLN HE22 . 34526 1 354 . 1 . 1 30 30 GLN CA C 13 59.586 0.000 . . . . . . A 27 GLN CA . 34526 1 355 . 1 . 1 30 30 GLN N N 15 120.573 0.000 . . . . . . A 27 GLN N . 34526 1 356 . 1 . 1 30 30 GLN NE2 N 15 112.093 0.004 . . . . . . A 27 GLN NE2 . 34526 1 357 . 1 . 1 31 31 CYS H H 1 8.607 0.000 . . . . . . A 28 CYS H . 34526 1 358 . 1 . 1 31 31 CYS HA H 1 4.239 0.000 . . . . . . A 28 CYS HA . 34526 1 359 . 1 . 1 31 31 CYS HB2 H 1 2.810 0.000 . . . . . . A 28 CYS HB2 . 34526 1 360 . 1 . 1 31 31 CYS HB3 H 1 2.972 0.000 . . . . . . A 28 CYS HB3 . 34526 1 361 . 1 . 1 31 31 CYS CA C 13 64.480 0.000 . . . . . . A 28 CYS CA . 34526 1 362 . 1 . 1 31 31 CYS CB C 13 26.704 0.002 . . . . . . A 28 CYS CB . 34526 1 363 . 1 . 1 31 31 CYS N N 15 119.033 0.000 . . . . . . A 28 CYS N . 34526 1 364 . 1 . 1 32 32 ARG H H 1 8.771 0.000 . . . . . . A 29 ARG H . 34526 1 365 . 1 . 1 32 32 ARG HA H 1 3.889 0.000 . . . . . . A 29 ARG HA . 34526 1 366 . 1 . 1 32 32 ARG HG2 H 1 1.513 0.000 . . . . . . A 29 ARG HG2 . 34526 1 367 . 1 . 1 32 32 ARG HG3 H 1 1.846 0.000 . . . . . . A 29 ARG HG3 . 34526 1 368 . 1 . 1 32 32 ARG CA C 13 59.310 0.000 . . . . . . A 29 ARG CA . 34526 1 369 . 1 . 1 32 32 ARG CG C 13 28.526 0.006 . . . . . . A 29 ARG CG . 34526 1 370 . 1 . 1 32 32 ARG N N 15 119.259 0.000 . . . . . . A 29 ARG N . 34526 1 371 . 1 . 1 33 33 ARG H H 1 7.856 0.000 . . . . . . A 30 ARG H . 34526 1 372 . 1 . 1 33 33 ARG HA H 1 3.938 0.000 . . . . . . A 30 ARG HA . 34526 1 373 . 1 . 1 33 33 ARG HB2 H 1 1.842 0.000 . . . . . . A 30 ARG HB2 . 34526 1 374 . 1 . 1 33 33 ARG HB3 H 1 1.842 0.000 . . . . . . A 30 ARG HB3 . 34526 1 375 . 1 . 1 33 33 ARG CA C 13 58.255 0.000 . . . . . . A 30 ARG CA . 34526 1 376 . 1 . 1 33 33 ARG CB C 13 28.878 0.000 . . . . . . A 30 ARG CB . 34526 1 377 . 1 . 1 33 33 ARG N N 15 119.856 0.000 . . . . . . A 30 ARG N . 34526 1 378 . 1 . 1 34 34 LEU H H 1 7.350 0.000 . . . . . . A 31 LEU H . 34526 1 379 . 1 . 1 34 34 LEU HA H 1 4.103 0.000 . . . . . . A 31 LEU HA . 34526 1 380 . 1 . 1 34 34 LEU HB2 H 1 1.082 0.000 . . . . . . A 31 LEU HB2 . 34526 1 381 . 1 . 1 34 34 LEU HB3 H 1 1.801 0.000 . . . . . . A 31 LEU HB3 . 34526 1 382 . 1 . 1 34 34 LEU HG H 1 1.008 0.000 . . . . . . A 31 LEU HG . 34526 1 383 . 1 . 1 34 34 LEU HD11 H 1 -0.227 0.000 . . . . . . A 31 LEU HD11 . 34526 1 384 . 1 . 1 34 34 LEU HD12 H 1 -0.227 0.000 . . . . . . A 31 LEU HD12 . 34526 1 385 . 1 . 1 34 34 LEU HD13 H 1 -0.227 0.000 . . . . . . A 31 LEU HD13 . 34526 1 386 . 1 . 1 34 34 LEU HD21 H 1 0.524 0.000 . . . . . . A 31 LEU HD21 . 34526 1 387 . 1 . 1 34 34 LEU HD22 H 1 0.524 0.000 . . . . . . A 31 LEU HD22 . 34526 1 388 . 1 . 1 34 34 LEU HD23 H 1 0.524 0.000 . . . . . . A 31 LEU HD23 . 34526 1 389 . 1 . 1 34 34 LEU CA C 13 58.244 0.000 . . . . . . A 31 LEU CA . 34526 1 390 . 1 . 1 34 34 LEU CB C 13 40.184 0.012 . . . . . . A 31 LEU CB . 34526 1 391 . 1 . 1 34 34 LEU CG C 13 27.069 0.000 . . . . . . A 31 LEU CG . 34526 1 392 . 1 . 1 34 34 LEU CD1 C 13 25.090 0.000 . . . . . . A 31 LEU CD1 . 34526 1 393 . 1 . 1 34 34 LEU CD2 C 13 22.687 0.000 . . . . . . A 31 LEU CD2 . 34526 1 394 . 1 . 1 34 34 LEU N N 15 120.652 0.000 . . . . . . A 31 LEU N . 34526 1 395 . 1 . 1 35 35 GLY H H 1 8.016 0.000 . . . . . . A 32 GLY H . 34526 1 396 . 1 . 1 35 35 GLY HA2 H 1 3.475 0.000 . . . . . . A 32 GLY HA2 . 34526 1 397 . 1 . 1 35 35 GLY HA3 H 1 4.106 0.000 . . . . . . A 32 GLY HA3 . 34526 1 398 . 1 . 1 35 35 GLY CA C 13 48.427 0.003 . . . . . . A 32 GLY CA . 34526 1 399 . 1 . 1 35 35 GLY N N 15 105.310 0.000 . . . . . . A 32 GLY N . 34526 1 400 . 1 . 1 36 36 HIS H H 1 8.411 0.000 . . . . . . A 33 HIS H . 34526 1 401 . 1 . 1 36 36 HIS HA H 1 4.239 0.000 . . . . . . A 33 HIS HA . 34526 1 402 . 1 . 1 36 36 HIS HB2 H 1 3.173 0.000 . . . . . . A 33 HIS HB2 . 34526 1 403 . 1 . 1 36 36 HIS HB3 H 1 3.211 0.000 . . . . . . A 33 HIS HB3 . 34526 1 404 . 1 . 1 36 36 HIS HD2 H 1 7.001 0.000 . . . . . . A 33 HIS HD2 . 34526 1 405 . 1 . 1 36 36 HIS HE1 H 1 7.910 0.000 . . . . . . A 33 HIS HE1 . 34526 1 406 . 1 . 1 36 36 HIS CA C 13 59.679 0.000 . . . . . . A 33 HIS CA . 34526 1 407 . 1 . 1 36 36 HIS CB C 13 30.446 0.000 . . . . . . A 33 HIS CB . 34526 1 408 . 1 . 1 36 36 HIS CD2 C 13 119.404 0.000 . . . . . . A 33 HIS CD2 . 34526 1 409 . 1 . 1 36 36 HIS CE1 C 13 138.056 0.000 . . . . . . A 33 HIS CE1 . 34526 1 410 . 1 . 1 36 36 HIS N N 15 120.662 0.000 . . . . . . A 33 HIS N . 34526 1 411 . 1 . 1 37 37 ARG H H 1 8.710 0.000 . . . . . . A 34 ARG H . 34526 1 412 . 1 . 1 37 37 ARG HA H 1 3.907 0.000 . . . . . . A 34 ARG HA . 34526 1 413 . 1 . 1 37 37 ARG CA C 13 59.565 0.000 . . . . . . A 34 ARG CA . 34526 1 414 . 1 . 1 37 37 ARG N N 15 121.930 0.000 . . . . . . A 34 ARG N . 34526 1 415 . 1 . 1 38 38 VAL H H 1 8.567 0.000 . . . . . . A 35 VAL H . 34526 1 416 . 1 . 1 38 38 VAL HA H 1 3.461 0.000 . . . . . . A 35 VAL HA . 34526 1 417 . 1 . 1 38 38 VAL HB H 1 2.190 0.000 . . . . . . A 35 VAL HB . 34526 1 418 . 1 . 1 38 38 VAL HG11 H 1 0.943 0.000 . . . . . . A 35 VAL HG11 . 34526 1 419 . 1 . 1 38 38 VAL HG12 H 1 0.943 0.000 . . . . . . A 35 VAL HG12 . 34526 1 420 . 1 . 1 38 38 VAL HG13 H 1 0.943 0.000 . . . . . . A 35 VAL HG13 . 34526 1 421 . 1 . 1 38 38 VAL HG21 H 1 0.917 0.000 . . . . . . A 35 VAL HG21 . 34526 1 422 . 1 . 1 38 38 VAL HG22 H 1 0.917 0.000 . . . . . . A 35 VAL HG22 . 34526 1 423 . 1 . 1 38 38 VAL HG23 H 1 0.917 0.000 . . . . . . A 35 VAL HG23 . 34526 1 424 . 1 . 1 38 38 VAL CA C 13 68.042 0.000 . . . . . . A 35 VAL CA . 34526 1 425 . 1 . 1 38 38 VAL CB C 13 31.289 0.000 . . . . . . A 35 VAL CB . 34526 1 426 . 1 . 1 38 38 VAL CG1 C 13 22.897 0.000 . . . . . . A 35 VAL CG1 . 34526 1 427 . 1 . 1 38 38 VAL CG2 C 13 23.909 0.000 . . . . . . A 35 VAL CG2 . 34526 1 428 . 1 . 1 38 38 VAL N N 15 118.787 0.000 . . . . . . A 35 VAL N . 34526 1 429 . 1 . 1 39 39 LEU H H 1 7.990 0.000 . . . . . . A 36 LEU H . 34526 1 430 . 1 . 1 39 39 LEU HA H 1 3.927 0.000 . . . . . . A 36 LEU HA . 34526 1 431 . 1 . 1 39 39 LEU HB2 H 1 1.413 0.000 . . . . . . A 36 LEU HB2 . 34526 1 432 . 1 . 1 39 39 LEU HB3 H 1 1.563 0.000 . . . . . . A 36 LEU HB3 . 34526 1 433 . 1 . 1 39 39 LEU HG H 1 1.546 0.000 . . . . . . A 36 LEU HG . 34526 1 434 . 1 . 1 39 39 LEU HD11 H 1 0.290 0.000 . . . . . . A 36 LEU HD11 . 34526 1 435 . 1 . 1 39 39 LEU HD12 H 1 0.290 0.000 . . . . . . A 36 LEU HD12 . 34526 1 436 . 1 . 1 39 39 LEU HD13 H 1 0.290 0.000 . . . . . . A 36 LEU HD13 . 34526 1 437 . 1 . 1 39 39 LEU HD21 H 1 0.413 0.000 . . . . . . A 36 LEU HD21 . 34526 1 438 . 1 . 1 39 39 LEU HD22 H 1 0.413 0.000 . . . . . . A 36 LEU HD22 . 34526 1 439 . 1 . 1 39 39 LEU HD23 H 1 0.413 0.000 . . . . . . A 36 LEU HD23 . 34526 1 440 . 1 . 1 39 39 LEU CA C 13 57.898 0.000 . . . . . . A 36 LEU CA . 34526 1 441 . 1 . 1 39 39 LEU CB C 13 41.415 0.005 . . . . . . A 36 LEU CB . 34526 1 442 . 1 . 1 39 39 LEU CG C 13 26.111 0.000 . . . . . . A 36 LEU CG . 34526 1 443 . 1 . 1 39 39 LEU CD1 C 13 23.866 0.000 . . . . . . A 36 LEU CD1 . 34526 1 444 . 1 . 1 39 39 LEU CD2 C 13 22.603 0.000 . . . . . . A 36 LEU CD2 . 34526 1 445 . 1 . 1 39 39 LEU N N 15 118.244 0.000 . . . . . . A 36 LEU N . 34526 1 446 . 1 . 1 40 40 GLY H H 1 7.809 0.000 . . . . . . A 37 GLY H . 34526 1 447 . 1 . 1 40 40 GLY HA2 H 1 3.785 0.000 . . . . . . A 37 GLY HA2 . 34526 1 448 . 1 . 1 40 40 GLY HA3 H 1 3.785 0.000 . . . . . . A 37 GLY HA3 . 34526 1 449 . 1 . 1 40 40 GLY CA C 13 46.683 0.000 . . . . . . A 37 GLY CA . 34526 1 450 . 1 . 1 40 40 GLY N N 15 104.960 0.000 . . . . . . A 37 GLY N . 34526 1 451 . 1 . 1 41 41 LEU H H 1 7.803 0.000 . . . . . . A 38 LEU H . 34526 1 452 . 1 . 1 41 41 LEU HA H 1 3.637 0.000 . . . . . . A 38 LEU HA . 34526 1 453 . 1 . 1 41 41 LEU HB2 H 1 1.858 0.000 . . . . . . A 38 LEU HB2 . 34526 1 454 . 1 . 1 41 41 LEU HB3 H 1 1.006 0.000 . . . . . . A 38 LEU HB3 . 34526 1 455 . 1 . 1 41 41 LEU HG H 1 1.829 0.000 . . . . . . A 38 LEU HG . 34526 1 456 . 1 . 1 41 41 LEU HD11 H 1 -0.075 0.000 . . . . . . A 38 LEU HD11 . 34526 1 457 . 1 . 1 41 41 LEU HD12 H 1 -0.075 0.000 . . . . . . A 38 LEU HD12 . 34526 1 458 . 1 . 1 41 41 LEU HD13 H 1 -0.075 0.000 . . . . . . A 38 LEU HD13 . 34526 1 459 . 1 . 1 41 41 LEU HD21 H 1 0.811 0.000 . . . . . . A 38 LEU HD21 . 34526 1 460 . 1 . 1 41 41 LEU HD22 H 1 0.811 0.000 . . . . . . A 38 LEU HD22 . 34526 1 461 . 1 . 1 41 41 LEU HD23 H 1 0.811 0.000 . . . . . . A 38 LEU HD23 . 34526 1 462 . 1 . 1 41 41 LEU CA C 13 56.634 0.000 . . . . . . A 38 LEU CA . 34526 1 463 . 1 . 1 41 41 LEU CB C 13 41.767 0.019 . . . . . . A 38 LEU CB . 34526 1 464 . 1 . 1 41 41 LEU CG C 13 26.133 0.000 . . . . . . A 38 LEU CG . 34526 1 465 . 1 . 1 41 41 LEU CD1 C 13 21.164 0.000 . . . . . . A 38 LEU CD1 . 34526 1 466 . 1 . 1 41 41 LEU CD2 C 13 25.937 0.000 . . . . . . A 38 LEU CD2 . 34526 1 467 . 1 . 1 41 41 LEU N N 15 120.909 0.000 . . . . . . A 38 LEU N . 34526 1 468 . 1 . 1 42 42 ILE H H 1 7.634 0.000 . . . . . . A 39 ILE H . 34526 1 469 . 1 . 1 42 42 ILE HA H 1 4.267 0.000 . . . . . . A 39 ILE HA . 34526 1 470 . 1 . 1 42 42 ILE HB H 1 2.182 0.000 . . . . . . A 39 ILE HB . 34526 1 471 . 1 . 1 42 42 ILE HG12 H 1 1.667 0.000 . . . . . . A 39 ILE HG12 . 34526 1 472 . 1 . 1 42 42 ILE HG13 H 1 1.571 0.000 . . . . . . A 39 ILE HG13 . 34526 1 473 . 1 . 1 42 42 ILE HG21 H 1 1.102 0.000 . . . . . . A 39 ILE HG21 . 34526 1 474 . 1 . 1 42 42 ILE HG22 H 1 1.102 0.000 . . . . . . A 39 ILE HG22 . 34526 1 475 . 1 . 1 42 42 ILE HG23 H 1 1.102 0.000 . . . . . . A 39 ILE HG23 . 34526 1 476 . 1 . 1 42 42 ILE HD11 H 1 0.965 0.000 . . . . . . A 39 ILE HD11 . 34526 1 477 . 1 . 1 42 42 ILE HD12 H 1 0.965 0.000 . . . . . . A 39 ILE HD12 . 34526 1 478 . 1 . 1 42 42 ILE HD13 H 1 0.965 0.000 . . . . . . A 39 ILE HD13 . 34526 1 479 . 1 . 1 42 42 ILE CA C 13 62.686 0.000 . . . . . . A 39 ILE CA . 34526 1 480 . 1 . 1 42 42 ILE CB C 13 38.419 0.000 . . . . . . A 39 ILE CB . 34526 1 481 . 1 . 1 42 42 ILE CG1 C 13 27.800 0.021 . . . . . . A 39 ILE CG1 . 34526 1 482 . 1 . 1 42 42 ILE CG2 C 13 18.764 0.000 . . . . . . A 39 ILE CG2 . 34526 1 483 . 1 . 1 42 42 ILE CD1 C 13 14.535 0.000 . . . . . . A 39 ILE CD1 . 34526 1 484 . 1 . 1 42 42 ILE N N 15 108.744 0.000 . . . . . . A 39 ILE N . 34526 1 485 . 1 . 1 43 43 LYS H H 1 7.600 0.000 . . . . . . A 40 LYS H . 34526 1 486 . 1 . 1 43 43 LYS HA H 1 4.533 0.000 . . . . . . A 40 LYS HA . 34526 1 487 . 1 . 1 43 43 LYS HB2 H 1 2.001 0.000 . . . . . . A 40 LYS HB2 . 34526 1 488 . 1 . 1 43 43 LYS HB3 H 1 2.040 0.000 . . . . . . A 40 LYS HB3 . 34526 1 489 . 1 . 1 43 43 LYS HG2 H 1 1.537 0.000 . . . . . . A 40 LYS HG2 . 34526 1 490 . 1 . 1 43 43 LYS HG3 H 1 1.591 0.000 . . . . . . A 40 LYS HG3 . 34526 1 491 . 1 . 1 43 43 LYS HD2 H 1 1.739 0.000 . . . . . . A 40 LYS HD2 . 34526 1 492 . 1 . 1 43 43 LYS HD3 H 1 1.739 0.000 . . . . . . A 40 LYS HD3 . 34526 1 493 . 1 . 1 43 43 LYS HE2 H 1 2.942 0.000 . . . . . . A 40 LYS HE2 . 34526 1 494 . 1 . 1 43 43 LYS HE3 H 1 2.942 0.000 . . . . . . A 40 LYS HE3 . 34526 1 495 . 1 . 1 43 43 LYS CA C 13 60.654 0.000 . . . . . . A 40 LYS CA . 34526 1 496 . 1 . 1 43 43 LYS CB C 13 29.270 0.011 . . . . . . A 40 LYS CB . 34526 1 497 . 1 . 1 43 43 LYS CG C 13 24.819 0.004 . . . . . . A 40 LYS CG . 34526 1 498 . 1 . 1 43 43 LYS CD C 13 28.461 0.000 . . . . . . A 40 LYS CD . 34526 1 499 . 1 . 1 43 43 LYS CE C 13 41.781 0.000 . . . . . . A 40 LYS CE . 34526 1 500 . 1 . 1 43 43 LYS N N 15 122.822 0.000 . . . . . . A 40 LYS N . 34526 1 501 . 1 . 1 44 44 PRO HA H 1 4.478 0.000 . . . . . . A 41 PRO HA . 34526 1 502 . 1 . 1 44 44 PRO HB2 H 1 1.809 0.000 . . . . . . A 41 PRO HB2 . 34526 1 503 . 1 . 1 44 44 PRO HB3 H 1 2.466 0.000 . . . . . . A 41 PRO HB3 . 34526 1 504 . 1 . 1 44 44 PRO HG2 H 1 2.174 0.000 . . . . . . A 41 PRO HG2 . 34526 1 505 . 1 . 1 44 44 PRO HG3 H 1 2.224 0.000 . . . . . . A 41 PRO HG3 . 34526 1 506 . 1 . 1 44 44 PRO HD2 H 1 3.616 0.000 . . . . . . A 41 PRO HD2 . 34526 1 507 . 1 . 1 44 44 PRO HD3 H 1 3.959 0.000 . . . . . . A 41 PRO HD3 . 34526 1 508 . 1 . 1 44 44 PRO CA C 13 65.632 0.000 . . . . . . A 41 PRO CA . 34526 1 509 . 1 . 1 44 44 PRO CB C 13 31.527 0.006 . . . . . . A 41 PRO CB . 34526 1 510 . 1 . 1 44 44 PRO CG C 13 28.449 0.005 . . . . . . A 41 PRO CG . 34526 1 511 . 1 . 1 44 44 PRO CD C 13 50.331 0.009 . . . . . . A 41 PRO CD . 34526 1 512 . 1 . 1 45 45 LEU H H 1 7.150 0.000 . . . . . . A 42 LEU H . 34526 1 513 . 1 . 1 45 45 LEU HA H 1 4.139 0.000 . . . . . . A 42 LEU HA . 34526 1 514 . 1 . 1 45 45 LEU HB2 H 1 1.545 0.000 . . . . . . A 42 LEU HB2 . 34526 1 515 . 1 . 1 45 45 LEU HB3 H 1 2.241 0.000 . . . . . . A 42 LEU HB3 . 34526 1 516 . 1 . 1 45 45 LEU HG H 1 2.021 0.000 . . . . . . A 42 LEU HG . 34526 1 517 . 1 . 1 45 45 LEU HD11 H 1 0.917 0.000 . . . . . . A 42 LEU HD11 . 34526 1 518 . 1 . 1 45 45 LEU HD12 H 1 0.917 0.000 . . . . . . A 42 LEU HD12 . 34526 1 519 . 1 . 1 45 45 LEU HD13 H 1 0.917 0.000 . . . . . . A 42 LEU HD13 . 34526 1 520 . 1 . 1 45 45 LEU HD21 H 1 1.058 0.000 . . . . . . A 42 LEU HD21 . 34526 1 521 . 1 . 1 45 45 LEU HD22 H 1 1.058 0.000 . . . . . . A 42 LEU HD22 . 34526 1 522 . 1 . 1 45 45 LEU HD23 H 1 1.058 0.000 . . . . . . A 42 LEU HD23 . 34526 1 523 . 1 . 1 45 45 LEU CA C 13 57.300 0.000 . . . . . . A 42 LEU CA . 34526 1 524 . 1 . 1 45 45 LEU CB C 13 40.225 0.017 . . . . . . A 42 LEU CB . 34526 1 525 . 1 . 1 45 45 LEU CG C 13 27.371 0.000 . . . . . . A 42 LEU CG . 34526 1 526 . 1 . 1 45 45 LEU CD1 C 13 23.399 0.000 . . . . . . A 42 LEU CD1 . 34526 1 527 . 1 . 1 45 45 LEU CD2 C 13 26.444 0.000 . . . . . . A 42 LEU CD2 . 34526 1 528 . 1 . 1 45 45 LEU N N 15 115.338 0.000 . . . . . . A 42 LEU N . 34526 1 529 . 1 . 1 46 46 GLU H H 1 8.323 0.000 . . . . . . A 43 GLU H . 34526 1 530 . 1 . 1 46 46 GLU HA H 1 3.928 0.000 . . . . . . A 43 GLU HA . 34526 1 531 . 1 . 1 46 46 GLU HB2 H 1 2.348 0.000 . . . . . . A 43 GLU HB2 . 34526 1 532 . 1 . 1 46 46 GLU HB3 H 1 2.105 0.000 . . . . . . A 43 GLU HB3 . 34526 1 533 . 1 . 1 46 46 GLU HG2 H 1 2.136 0.000 . . . . . . A 43 GLU HG2 . 34526 1 534 . 1 . 1 46 46 GLU HG3 H 1 2.426 0.000 . . . . . . A 43 GLU HG3 . 34526 1 535 . 1 . 1 46 46 GLU CA C 13 59.780 0.000 . . . . . . A 43 GLU CA . 34526 1 536 . 1 . 1 46 46 GLU CB C 13 30.039 0.020 . . . . . . A 43 GLU CB . 34526 1 537 . 1 . 1 46 46 GLU CG C 13 37.920 0.005 . . . . . . A 43 GLU CG . 34526 1 538 . 1 . 1 46 46 GLU N N 15 119.972 0.000 . . . . . . A 43 GLU N . 34526 1 539 . 1 . 1 47 47 MET H H 1 7.780 0.000 . . . . . . A 44 MET H . 34526 1 540 . 1 . 1 47 47 MET HA H 1 4.280 0.000 . . . . . . A 44 MET HA . 34526 1 541 . 1 . 1 47 47 MET HB2 H 1 2.226 0.000 . . . . . . A 44 MET HB2 . 34526 1 542 . 1 . 1 47 47 MET HB3 H 1 2.226 0.000 . . . . . . A 44 MET HB3 . 34526 1 543 . 1 . 1 47 47 MET HG2 H 1 2.757 0.000 . . . . . . A 44 MET HG2 . 34526 1 544 . 1 . 1 47 47 MET HG3 H 1 2.627 0.000 . . . . . . A 44 MET HG3 . 34526 1 545 . 1 . 1 47 47 MET HE1 H 1 2.126 0.000 . . . . . . A 44 MET HE1 . 34526 1 546 . 1 . 1 47 47 MET HE2 H 1 2.126 0.000 . . . . . . A 44 MET HE2 . 34526 1 547 . 1 . 1 47 47 MET HE3 H 1 2.126 0.000 . . . . . . A 44 MET HE3 . 34526 1 548 . 1 . 1 47 47 MET CA C 13 57.977 0.000 . . . . . . A 44 MET CA . 34526 1 549 . 1 . 1 47 47 MET CB C 13 32.451 0.000 . . . . . . A 44 MET CB . 34526 1 550 . 1 . 1 47 47 MET CG C 13 32.144 0.001 . . . . . . A 44 MET CG . 34526 1 551 . 1 . 1 47 47 MET CE C 13 16.969 0.000 . . . . . . A 44 MET CE . 34526 1 552 . 1 . 1 47 47 MET N N 15 117.108 0.000 . . . . . . A 44 MET N . 34526 1 553 . 1 . 1 48 48 LEU H H 1 7.759 0.000 . . . . . . A 45 LEU H . 34526 1 554 . 1 . 1 48 48 LEU HA H 1 4.148 0.000 . . . . . . A 45 LEU HA . 34526 1 555 . 1 . 1 48 48 LEU HB2 H 1 1.826 0.000 . . . . . . A 45 LEU HB2 . 34526 1 556 . 1 . 1 48 48 LEU HB3 H 1 1.826 0.000 . . . . . . A 45 LEU HB3 . 34526 1 557 . 1 . 1 48 48 LEU HD11 H 1 0.874 0.000 . . . . . . A 45 LEU HD11 . 34526 1 558 . 1 . 1 48 48 LEU HD12 H 1 0.874 0.000 . . . . . . A 45 LEU HD12 . 34526 1 559 . 1 . 1 48 48 LEU HD13 H 1 0.874 0.000 . . . . . . A 45 LEU HD13 . 34526 1 560 . 1 . 1 48 48 LEU HD21 H 1 0.934 0.000 . . . . . . A 45 LEU HD21 . 34526 1 561 . 1 . 1 48 48 LEU HD22 H 1 0.934 0.000 . . . . . . A 45 LEU HD22 . 34526 1 562 . 1 . 1 48 48 LEU HD23 H 1 0.934 0.000 . . . . . . A 45 LEU HD23 . 34526 1 563 . 1 . 1 48 48 LEU CA C 13 57.017 0.000 . . . . . . A 45 LEU CA . 34526 1 564 . 1 . 1 48 48 LEU CB C 13 42.057 0.000 . . . . . . A 45 LEU CB . 34526 1 565 . 1 . 1 48 48 LEU CD1 C 13 24.504 0.000 . . . . . . A 45 LEU CD1 . 34526 1 566 . 1 . 1 48 48 LEU CD2 C 13 24.930 0.000 . . . . . . A 45 LEU CD2 . 34526 1 567 . 1 . 1 48 48 LEU N N 15 120.415 0.000 . . . . . . A 45 LEU N . 34526 1 568 . 1 . 1 49 49 GLN H H 1 8.137 0.000 . . . . . . A 46 GLN H . 34526 1 569 . 1 . 1 49 49 GLN HA H 1 4.091 0.000 . . . . . . A 46 GLN HA . 34526 1 570 . 1 . 1 49 49 GLN HB2 H 1 2.066 0.000 . . . . . . A 46 GLN HB2 . 34526 1 571 . 1 . 1 49 49 GLN HB3 H 1 2.224 0.000 . . . . . . A 46 GLN HB3 . 34526 1 572 . 1 . 1 49 49 GLN HG2 H 1 2.337 0.000 . . . . . . A 46 GLN HG2 . 34526 1 573 . 1 . 1 49 49 GLN HG3 H 1 2.337 0.000 . . . . . . A 46 GLN HG3 . 34526 1 574 . 1 . 1 49 49 GLN HE21 H 1 6.794 0.000 . . . . . . A 46 GLN HE21 . 34526 1 575 . 1 . 1 49 49 GLN HE22 H 1 7.592 0.000 . . . . . . A 46 GLN HE22 . 34526 1 576 . 1 . 1 49 49 GLN CA C 13 57.909 0.000 . . . . . . A 46 GLN CA . 34526 1 577 . 1 . 1 49 49 GLN CB C 13 29.349 0.008 . . . . . . A 46 GLN CB . 34526 1 578 . 1 . 1 49 49 GLN CG C 13 34.205 0.000 . . . . . . A 46 GLN CG . 34526 1 579 . 1 . 1 49 49 GLN N N 15 119.358 0.000 . . . . . . A 46 GLN N . 34526 1 580 . 1 . 1 49 49 GLN NE2 N 15 110.424 0.006 . . . . . . A 46 GLN NE2 . 34526 1 581 . 1 . 1 50 50 ASP H H 1 8.053 0.000 . . . . . . A 47 ASP H . 34526 1 582 . 1 . 1 50 50 ASP HA H 1 4.559 0.000 . . . . . . A 47 ASP HA . 34526 1 583 . 1 . 1 50 50 ASP HB2 H 1 2.744 0.000 . . . . . . A 47 ASP HB2 . 34526 1 584 . 1 . 1 50 50 ASP HB3 H 1 2.744 0.000 . . . . . . A 47 ASP HB3 . 34526 1 585 . 1 . 1 50 50 ASP CA C 13 55.606 0.000 . . . . . . A 47 ASP CA . 34526 1 586 . 1 . 1 50 50 ASP CB C 13 41.169 0.000 . . . . . . A 47 ASP CB . 34526 1 587 . 1 . 1 50 50 ASP N N 15 119.228 0.000 . . . . . . A 47 ASP N . 34526 1 588 . 1 . 1 51 51 GLN H H 1 8.070 0.000 . . . . . . A 48 GLN H . 34526 1 589 . 1 . 1 51 51 GLN HA H 1 4.256 0.000 . . . . . . A 48 GLN HA . 34526 1 590 . 1 . 1 51 51 GLN HB2 H 1 2.225 0.000 . . . . . . A 48 GLN HB2 . 34526 1 591 . 1 . 1 51 51 GLN HB3 H 1 2.111 0.000 . . . . . . A 48 GLN HB3 . 34526 1 592 . 1 . 1 51 51 GLN HG2 H 1 2.491 0.000 . . . . . . A 48 GLN HG2 . 34526 1 593 . 1 . 1 51 51 GLN HG3 H 1 2.491 0.000 . . . . . . A 48 GLN HG3 . 34526 1 594 . 1 . 1 51 51 GLN HE21 H 1 7.564 0.000 . . . . . . A 48 GLN HE21 . 34526 1 595 . 1 . 1 51 51 GLN HE22 H 1 6.940 0.000 . . . . . . A 48 GLN HE22 . 34526 1 596 . 1 . 1 51 51 GLN CA C 13 56.662 0.000 . . . . . . A 48 GLN CA . 34526 1 597 . 1 . 1 51 51 GLN CB C 13 29.067 0.005 . . . . . . A 48 GLN CB . 34526 1 598 . 1 . 1 51 51 GLN CG C 13 33.977 0.000 . . . . . . A 48 GLN CG . 34526 1 599 . 1 . 1 51 51 GLN N N 15 118.783 0.000 . . . . . . A 48 GLN N . 34526 1 600 . 1 . 1 51 51 GLN NE2 N 15 112.065 0.002 . . . . . . A 48 GLN NE2 . 34526 1 601 . 1 . 1 52 52 GLY H H 1 8.219 0.000 . . . . . . A 49 GLY H . 34526 1 602 . 1 . 1 52 52 GLY HA2 H 1 3.963 0.000 . . . . . . A 49 GLY HA2 . 34526 1 603 . 1 . 1 52 52 GLY HA3 H 1 3.963 0.000 . . . . . . A 49 GLY HA3 . 34526 1 604 . 1 . 1 52 52 GLY CA C 13 45.903 0.000 . . . . . . A 49 GLY CA . 34526 1 605 . 1 . 1 52 52 GLY N N 15 108.345 0.000 . . . . . . A 49 GLY N . 34526 1 606 . 1 . 1 53 53 LYS H H 1 8.252 0.000 . . . . . . A 50 LYS H . 34526 1 607 . 1 . 1 53 53 LYS HA H 1 4.312 0.000 . . . . . . A 50 LYS HA . 34526 1 608 . 1 . 1 53 53 LYS HB2 H 1 1.794 0.000 . . . . . . A 50 LYS HB2 . 34526 1 609 . 1 . 1 53 53 LYS HB3 H 1 1.883 0.000 . . . . . . A 50 LYS HB3 . 34526 1 610 . 1 . 1 53 53 LYS HG2 H 1 1.474 0.000 . . . . . . A 50 LYS HG2 . 34526 1 611 . 1 . 1 53 53 LYS HG3 H 1 1.419 0.000 . . . . . . A 50 LYS HG3 . 34526 1 612 . 1 . 1 53 53 LYS HD2 H 1 1.701 0.000 . . . . . . A 50 LYS HD2 . 34526 1 613 . 1 . 1 53 53 LYS HD3 H 1 1.701 0.000 . . . . . . A 50 LYS HD3 . 34526 1 614 . 1 . 1 53 53 LYS HE2 H 1 3.007 0.000 . . . . . . A 50 LYS HE2 . 34526 1 615 . 1 . 1 53 53 LYS HE3 H 1 3.007 0.000 . . . . . . A 50 LYS HE3 . 34526 1 616 . 1 . 1 53 53 LYS CA C 13 56.537 0.000 . . . . . . A 50 LYS CA . 34526 1 617 . 1 . 1 53 53 LYS CB C 13 32.599 0.000 . . . . . . A 50 LYS CB . 34526 1 618 . 1 . 1 53 53 LYS CG C 13 24.912 0.003 . . . . . . A 50 LYS CG . 34526 1 619 . 1 . 1 53 53 LYS CD C 13 29.011 0.000 . . . . . . A 50 LYS CD . 34526 1 620 . 1 . 1 53 53 LYS CE C 13 41.824 0.000 . . . . . . A 50 LYS CE . 34526 1 621 . 1 . 1 53 53 LYS N N 15 120.579 0.000 . . . . . . A 50 LYS N . 34526 1 622 . 1 . 1 54 54 ARG H H 1 8.355 0.000 . . . . . . A 51 ARG H . 34526 1 623 . 1 . 1 54 54 ARG HA H 1 4.419 0.000 . . . . . . A 51 ARG HA . 34526 1 624 . 1 . 1 54 54 ARG HB2 H 1 1.818 0.000 . . . . . . A 51 ARG HB2 . 34526 1 625 . 1 . 1 54 54 ARG HB3 H 1 1.936 0.000 . . . . . . A 51 ARG HB3 . 34526 1 626 . 1 . 1 54 54 ARG HG2 H 1 1.656 0.000 . . . . . . A 51 ARG HG2 . 34526 1 627 . 1 . 1 54 54 ARG HG3 H 1 1.656 0.000 . . . . . . A 51 ARG HG3 . 34526 1 628 . 1 . 1 54 54 ARG HD2 H 1 3.219 0.000 . . . . . . A 51 ARG HD2 . 34526 1 629 . 1 . 1 54 54 ARG HD3 H 1 3.219 0.000 . . . . . . A 51 ARG HD3 . 34526 1 630 . 1 . 1 54 54 ARG CA C 13 55.986 0.000 . . . . . . A 51 ARG CA . 34526 1 631 . 1 . 1 54 54 ARG CB C 13 30.853 0.005 . . . . . . A 51 ARG CB . 34526 1 632 . 1 . 1 54 54 ARG CG C 13 27.270 0.000 . . . . . . A 51 ARG CG . 34526 1 633 . 1 . 1 54 54 ARG CD C 13 43.329 0.000 . . . . . . A 51 ARG CD . 34526 1 634 . 1 . 1 54 54 ARG N N 15 121.031 0.000 . . . . . . A 51 ARG N . 34526 1 635 . 1 . 1 55 55 SER H H 1 8.221 0.000 . . . . . . A 52 SER H . 34526 1 636 . 1 . 1 55 55 SER HA H 1 4.534 0.000 . . . . . . A 52 SER HA . 34526 1 637 . 1 . 1 55 55 SER HB2 H 1 3.795 0.000 . . . . . . A 52 SER HB2 . 34526 1 638 . 1 . 1 55 55 SER HB3 H 1 3.842 0.000 . . . . . . A 52 SER HB3 . 34526 1 639 . 1 . 1 55 55 SER CA C 13 57.757 0.000 . . . . . . A 52 SER CA . 34526 1 640 . 1 . 1 55 55 SER CB C 13 64.125 0.000 . . . . . . A 52 SER CB . 34526 1 641 . 1 . 1 55 55 SER N N 15 116.816 0.000 . . . . . . A 52 SER N . 34526 1 642 . 1 . 1 56 56 VAL H H 1 8.465 0.000 . . . . . . A 53 VAL H . 34526 1 643 . 1 . 1 56 56 VAL HA H 1 4.333 0.000 . . . . . . A 53 VAL HA . 34526 1 644 . 1 . 1 56 56 VAL HB H 1 2.059 0.000 . . . . . . A 53 VAL HB . 34526 1 645 . 1 . 1 56 56 VAL HG11 H 1 1.004 0.000 . . . . . . A 53 VAL HG11 . 34526 1 646 . 1 . 1 56 56 VAL HG12 H 1 1.004 0.000 . . . . . . A 53 VAL HG12 . 34526 1 647 . 1 . 1 56 56 VAL HG13 H 1 1.004 0.000 . . . . . . A 53 VAL HG13 . 34526 1 648 . 1 . 1 56 56 VAL HG21 H 1 1.004 0.000 . . . . . . A 53 VAL HG21 . 34526 1 649 . 1 . 1 56 56 VAL HG22 H 1 1.004 0.000 . . . . . . A 53 VAL HG22 . 34526 1 650 . 1 . 1 56 56 VAL HG23 H 1 1.004 0.000 . . . . . . A 53 VAL HG23 . 34526 1 651 . 1 . 1 56 56 VAL CA C 13 60.267 0.000 . . . . . . A 53 VAL CA . 34526 1 652 . 1 . 1 56 56 VAL CB C 13 32.484 0.000 . . . . . . A 53 VAL CB . 34526 1 653 . 1 . 1 56 56 VAL CG1 C 13 20.870 0.000 . . . . . . A 53 VAL CG1 . 34526 1 654 . 1 . 1 56 56 VAL CG2 C 13 20.870 0.000 . . . . . . A 53 VAL CG2 . 34526 1 655 . 1 . 1 56 56 VAL N N 15 124.416 0.000 . . . . . . A 53 VAL N . 34526 1 656 . 1 . 1 57 57 PRO HA H 1 4.457 0.000 . . . . . . A 54 PRO HA . 34526 1 657 . 1 . 1 57 57 PRO HB2 H 1 2.125 0.000 . . . . . . A 54 PRO HB2 . 34526 1 658 . 1 . 1 57 57 PRO HB3 H 1 2.023 0.000 . . . . . . A 54 PRO HB3 . 34526 1 659 . 1 . 1 57 57 PRO HG2 H 1 1.913 0.000 . . . . . . A 54 PRO HG2 . 34526 1 660 . 1 . 1 57 57 PRO HG3 H 1 2.080 0.000 . . . . . . A 54 PRO HG3 . 34526 1 661 . 1 . 1 57 57 PRO HD2 H 1 3.718 0.000 . . . . . . A 54 PRO HD2 . 34526 1 662 . 1 . 1 57 57 PRO HD3 H 1 3.923 0.000 . . . . . . A 54 PRO HD3 . 34526 1 663 . 1 . 1 57 57 PRO CA C 13 62.929 0.000 . . . . . . A 54 PRO CA . 34526 1 664 . 1 . 1 57 57 PRO CB C 13 32.476 0.007 . . . . . . A 54 PRO CB . 34526 1 665 . 1 . 1 57 57 PRO CG C 13 27.447 0.017 . . . . . . A 54 PRO CG . 34526 1 666 . 1 . 1 57 57 PRO CD C 13 51.073 0.005 . . . . . . A 54 PRO CD . 34526 1 667 . 1 . 1 58 58 SER H H 1 9.002 0.000 . . . . . . A 55 SER H . 34526 1 668 . 1 . 1 58 58 SER HA H 1 4.397 0.000 . . . . . . A 55 SER HA . 34526 1 669 . 1 . 1 58 58 SER HB2 H 1 4.055 0.000 . . . . . . A 55 SER HB2 . 34526 1 670 . 1 . 1 58 58 SER HB3 H 1 4.304 0.000 . . . . . . A 55 SER HB3 . 34526 1 671 . 1 . 1 58 58 SER CA C 13 58.188 0.000 . . . . . . A 55 SER CA . 34526 1 672 . 1 . 1 58 58 SER CB C 13 64.081 0.000 . . . . . . A 55 SER CB . 34526 1 673 . 1 . 1 58 58 SER N N 15 119.600 0.000 . . . . . . A 55 SER N . 34526 1 674 . 1 . 1 59 59 GLU H H 1 9.108 0.000 . . . . . . A 56 GLU H . 34526 1 675 . 1 . 1 59 59 GLU HA H 1 4.151 0.000 . . . . . . A 56 GLU HA . 34526 1 676 . 1 . 1 59 59 GLU HB2 H 1 2.098 0.000 . . . . . . A 56 GLU HB2 . 34526 1 677 . 1 . 1 59 59 GLU HB3 H 1 2.098 0.000 . . . . . . A 56 GLU HB3 . 34526 1 678 . 1 . 1 59 59 GLU HG2 H 1 2.300 0.000 . . . . . . A 56 GLU HG2 . 34526 1 679 . 1 . 1 59 59 GLU HG3 H 1 2.388 0.000 . . . . . . A 56 GLU HG3 . 34526 1 680 . 1 . 1 59 59 GLU CA C 13 59.762 0.000 . . . . . . A 56 GLU CA . 34526 1 681 . 1 . 1 59 59 GLU CB C 13 29.183 0.000 . . . . . . A 56 GLU CB . 34526 1 682 . 1 . 1 59 59 GLU CG C 13 36.326 0.011 . . . . . . A 56 GLU CG . 34526 1 683 . 1 . 1 59 59 GLU N N 15 123.190 0.000 . . . . . . A 56 GLU N . 34526 1 684 . 1 . 1 60 60 LYS H H 1 8.272 0.000 . . . . . . A 57 LYS H . 34526 1 685 . 1 . 1 60 60 LYS HA H 1 4.040 0.000 . . . . . . A 57 LYS HA . 34526 1 686 . 1 . 1 60 60 LYS HB2 H 1 1.783 0.000 . . . . . . A 57 LYS HB2 . 34526 1 687 . 1 . 1 60 60 LYS HB3 H 1 1.865 0.000 . . . . . . A 57 LYS HB3 . 34526 1 688 . 1 . 1 60 60 LYS HG2 H 1 1.479 0.000 . . . . . . A 57 LYS HG2 . 34526 1 689 . 1 . 1 60 60 LYS HG3 H 1 1.646 0.000 . . . . . . A 57 LYS HG3 . 34526 1 690 . 1 . 1 60 60 LYS HD2 H 1 1.722 0.000 . . . . . . A 57 LYS HD2 . 34526 1 691 . 1 . 1 60 60 LYS HD3 H 1 1.722 0.000 . . . . . . A 57 LYS HD3 . 34526 1 692 . 1 . 1 60 60 LYS HE2 H 1 3.007 0.000 . . . . . . A 57 LYS HE2 . 34526 1 693 . 1 . 1 60 60 LYS HE3 H 1 3.007 0.000 . . . . . . A 57 LYS HE3 . 34526 1 694 . 1 . 1 60 60 LYS CA C 13 59.658 0.000 . . . . . . A 57 LYS CA . 34526 1 695 . 1 . 1 60 60 LYS CB C 13 32.645 0.002 . . . . . . A 57 LYS CB . 34526 1 696 . 1 . 1 60 60 LYS CG C 13 25.860 0.000 . . . . . . A 57 LYS CG . 34526 1 697 . 1 . 1 60 60 LYS CD C 13 29.175 0.000 . . . . . . A 57 LYS CD . 34526 1 698 . 1 . 1 60 60 LYS CE C 13 41.784 0.000 . . . . . . A 57 LYS CE . 34526 1 699 . 1 . 1 60 60 LYS N N 15 119.046 0.000 . . . . . . A 57 LYS N . 34526 1 700 . 1 . 1 61 61 LEU H H 1 8.426 0.000 . . . . . . A 58 LEU H . 34526 1 701 . 1 . 1 61 61 LEU HA H 1 4.130 0.000 . . . . . . A 58 LEU HA . 34526 1 702 . 1 . 1 61 61 LEU HB2 H 1 2.045 0.000 . . . . . . A 58 LEU HB2 . 34526 1 703 . 1 . 1 61 61 LEU HB3 H 1 1.569 0.000 . . . . . . A 58 LEU HB3 . 34526 1 704 . 1 . 1 61 61 LEU HG H 1 1.576 0.000 . . . . . . A 58 LEU HG . 34526 1 705 . 1 . 1 61 61 LEU HD11 H 1 0.914 0.000 . . . . . . A 58 LEU HD11 . 34526 1 706 . 1 . 1 61 61 LEU HD12 H 1 0.914 0.000 . . . . . . A 58 LEU HD12 . 34526 1 707 . 1 . 1 61 61 LEU HD13 H 1 0.914 0.000 . . . . . . A 58 LEU HD13 . 34526 1 708 . 1 . 1 61 61 LEU HD21 H 1 0.876 0.000 . . . . . . A 58 LEU HD21 . 34526 1 709 . 1 . 1 61 61 LEU HD22 H 1 0.876 0.000 . . . . . . A 58 LEU HD22 . 34526 1 710 . 1 . 1 61 61 LEU HD23 H 1 0.876 0.000 . . . . . . A 58 LEU HD23 . 34526 1 711 . 1 . 1 61 61 LEU CA C 13 58.021 0.000 . . . . . . A 58 LEU CA . 34526 1 712 . 1 . 1 61 61 LEU CB C 13 40.440 0.006 . . . . . . A 58 LEU CB . 34526 1 713 . 1 . 1 61 61 LEU CG C 13 27.552 0.000 . . . . . . A 58 LEU CG . 34526 1 714 . 1 . 1 61 61 LEU CD1 C 13 26.347 0.000 . . . . . . A 58 LEU CD1 . 34526 1 715 . 1 . 1 61 61 LEU CD2 C 13 24.366 0.000 . . . . . . A 58 LEU CD2 . 34526 1 716 . 1 . 1 61 61 LEU N N 15 123.020 0.000 . . . . . . A 58 LEU N . 34526 1 717 . 1 . 1 62 62 THR H H 1 8.766 0.000 . . . . . . A 59 THR H . 34526 1 718 . 1 . 1 62 62 THR HA H 1 3.834 0.000 . . . . . . A 59 THR HA . 34526 1 719 . 1 . 1 62 62 THR HB H 1 4.333 0.000 . . . . . . A 59 THR HB . 34526 1 720 . 1 . 1 62 62 THR HG21 H 1 1.244 0.000 . . . . . . A 59 THR HG21 . 34526 1 721 . 1 . 1 62 62 THR HG22 H 1 1.244 0.000 . . . . . . A 59 THR HG22 . 34526 1 722 . 1 . 1 62 62 THR HG23 H 1 1.244 0.000 . . . . . . A 59 THR HG23 . 34526 1 723 . 1 . 1 62 62 THR CA C 13 67.427 0.000 . . . . . . A 59 THR CA . 34526 1 724 . 1 . 1 62 62 THR CB C 13 68.352 0.000 . . . . . . A 59 THR CB . 34526 1 725 . 1 . 1 62 62 THR CG2 C 13 21.606 0.000 . . . . . . A 59 THR CG2 . 34526 1 726 . 1 . 1 62 62 THR N N 15 118.345 0.000 . . . . . . A 59 THR N . 34526 1 727 . 1 . 1 63 63 THR H H 1 8.460 0.000 . . . . . . A 60 THR H . 34526 1 728 . 1 . 1 63 63 THR HA H 1 4.005 0.000 . . . . . . A 60 THR HA . 34526 1 729 . 1 . 1 63 63 THR HB H 1 4.268 0.000 . . . . . . A 60 THR HB . 34526 1 730 . 1 . 1 63 63 THR HG21 H 1 1.283 0.000 . . . . . . A 60 THR HG21 . 34526 1 731 . 1 . 1 63 63 THR HG22 H 1 1.283 0.000 . . . . . . A 60 THR HG22 . 34526 1 732 . 1 . 1 63 63 THR HG23 H 1 1.283 0.000 . . . . . . A 60 THR HG23 . 34526 1 733 . 1 . 1 63 63 THR CA C 13 66.984 0.000 . . . . . . A 60 THR CA . 34526 1 734 . 1 . 1 63 63 THR CB C 13 68.447 0.000 . . . . . . A 60 THR CB . 34526 1 735 . 1 . 1 63 63 THR CG2 C 13 21.690 0.000 . . . . . . A 60 THR CG2 . 34526 1 736 . 1 . 1 63 63 THR N N 15 118.592 0.000 . . . . . . A 60 THR N . 34526 1 737 . 1 . 1 64 64 ALA H H 1 8.025 0.000 . . . . . . A 61 ALA H . 34526 1 738 . 1 . 1 64 64 ALA HA H 1 4.165 0.000 . . . . . . A 61 ALA HA . 34526 1 739 . 1 . 1 64 64 ALA HB1 H 1 1.443 0.000 . . . . . . A 61 ALA HB1 . 34526 1 740 . 1 . 1 64 64 ALA HB2 H 1 1.443 0.000 . . . . . . A 61 ALA HB2 . 34526 1 741 . 1 . 1 64 64 ALA HB3 H 1 1.443 0.000 . . . . . . A 61 ALA HB3 . 34526 1 742 . 1 . 1 64 64 ALA CA C 13 55.672 0.000 . . . . . . A 61 ALA CA . 34526 1 743 . 1 . 1 64 64 ALA CB C 13 18.604 0.000 . . . . . . A 61 ALA CB . 34526 1 744 . 1 . 1 64 64 ALA N N 15 124.946 0.000 . . . . . . A 61 ALA N . 34526 1 745 . 1 . 1 65 65 MET H H 1 8.987 0.000 . . . . . . A 62 MET H . 34526 1 746 . 1 . 1 65 65 MET HA H 1 4.112 0.000 . . . . . . A 62 MET HA . 34526 1 747 . 1 . 1 65 65 MET HB2 H 1 2.059 0.000 . . . . . . A 62 MET HB2 . 34526 1 748 . 1 . 1 65 65 MET HB3 H 1 2.387 0.000 . . . . . . A 62 MET HB3 . 34526 1 749 . 1 . 1 65 65 MET HG2 H 1 2.786 0.000 . . . . . . A 62 MET HG2 . 34526 1 750 . 1 . 1 65 65 MET HG3 H 1 2.381 0.000 . . . . . . A 62 MET HG3 . 34526 1 751 . 1 . 1 65 65 MET HE1 H 1 2.052 0.000 . . . . . . A 62 MET HE1 . 34526 1 752 . 1 . 1 65 65 MET HE2 H 1 2.052 0.000 . . . . . . A 62 MET HE2 . 34526 1 753 . 1 . 1 65 65 MET HE3 H 1 2.052 0.000 . . . . . . A 62 MET HE3 . 34526 1 754 . 1 . 1 65 65 MET CA C 13 59.723 0.000 . . . . . . A 62 MET CA . 34526 1 755 . 1 . 1 65 65 MET CB C 13 32.549 0.022 . . . . . . A 62 MET CB . 34526 1 756 . 1 . 1 65 65 MET CG C 13 33.513 0.007 . . . . . . A 62 MET CG . 34526 1 757 . 1 . 1 65 65 MET CE C 13 17.161 0.000 . . . . . . A 62 MET CE . 34526 1 758 . 1 . 1 65 65 MET N N 15 118.610 0.000 . . . . . . A 62 MET N . 34526 1 759 . 1 . 1 66 66 ASN H H 1 8.492 0.000 . . . . . . A 63 ASN H . 34526 1 760 . 1 . 1 66 66 ASN HA H 1 4.633 0.000 . . . . . . A 63 ASN HA . 34526 1 761 . 1 . 1 66 66 ASN HB2 H 1 2.879 0.000 . . . . . . A 63 ASN HB2 . 34526 1 762 . 1 . 1 66 66 ASN HB3 H 1 3.099 0.000 . . . . . . A 63 ASN HB3 . 34526 1 763 . 1 . 1 66 66 ASN HD21 H 1 6.973 0.000 . . . . . . A 63 ASN HD21 . 34526 1 764 . 1 . 1 66 66 ASN HD22 H 1 7.674 0.000 . . . . . . A 63 ASN HD22 . 34526 1 765 . 1 . 1 66 66 ASN CA C 13 56.024 0.000 . . . . . . A 63 ASN CA . 34526 1 766 . 1 . 1 66 66 ASN CB C 13 37.439 0.001 . . . . . . A 63 ASN CB . 34526 1 767 . 1 . 1 66 66 ASN N N 15 119.728 0.000 . . . . . . A 63 ASN N . 34526 1 768 . 1 . 1 66 66 ASN ND2 N 15 111.790 0.010 . . . . . . A 63 ASN ND2 . 34526 1 769 . 1 . 1 67 67 ARG H H 1 8.470 0.000 . . . . . . A 64 ARG H . 34526 1 770 . 1 . 1 67 67 ARG HA H 1 4.230 0.000 . . . . . . A 64 ARG HA . 34526 1 771 . 1 . 1 67 67 ARG HB2 H 1 2.000 0.000 . . . . . . A 64 ARG HB2 . 34526 1 772 . 1 . 1 67 67 ARG HB3 H 1 2.000 0.000 . . . . . . A 64 ARG HB3 . 34526 1 773 . 1 . 1 67 67 ARG HG2 H 1 1.733 0.000 . . . . . . A 64 ARG HG2 . 34526 1 774 . 1 . 1 67 67 ARG HG3 H 1 1.733 0.000 . . . . . . A 64 ARG HG3 . 34526 1 775 . 1 . 1 67 67 ARG HD2 H 1 3.273 0.000 . . . . . . A 64 ARG HD2 . 34526 1 776 . 1 . 1 67 67 ARG HD3 H 1 3.273 0.000 . . . . . . A 64 ARG HD3 . 34526 1 777 . 1 . 1 67 67 ARG CA C 13 59.717 0.000 . . . . . . A 64 ARG CA . 34526 1 778 . 1 . 1 67 67 ARG CB C 13 30.580 0.000 . . . . . . A 64 ARG CB . 34526 1 779 . 1 . 1 67 67 ARG CG C 13 28.215 0.014 . . . . . . A 64 ARG CG . 34526 1 780 . 1 . 1 67 67 ARG CD C 13 43.689 0.000 . . . . . . A 64 ARG CD . 34526 1 781 . 1 . 1 67 67 ARG N N 15 122.946 0.000 . . . . . . A 64 ARG N . 34526 1 782 . 1 . 1 68 68 PHE H H 1 8.591 0.000 . . . . . . A 65 PHE H . 34526 1 783 . 1 . 1 68 68 PHE HA H 1 4.536 0.000 . . . . . . A 65 PHE HA . 34526 1 784 . 1 . 1 68 68 PHE HB2 H 1 3.313 0.000 . . . . . . A 65 PHE HB2 . 34526 1 785 . 1 . 1 68 68 PHE HB3 H 1 3.446 0.000 . . . . . . A 65 PHE HB3 . 34526 1 786 . 1 . 1 68 68 PHE HD1 H 1 7.262 0.000 . . . . . . A 65 PHE HD1 . 34526 1 787 . 1 . 1 68 68 PHE HD2 H 1 7.262 0.000 . . . . . . A 65 PHE HD2 . 34526 1 788 . 1 . 1 68 68 PHE CA C 13 60.176 0.000 . . . . . . A 65 PHE CA . 34526 1 789 . 1 . 1 68 68 PHE CB C 13 39.275 0.001 . . . . . . A 65 PHE CB . 34526 1 790 . 1 . 1 68 68 PHE CD1 C 13 131.157 0.000 . . . . . . A 65 PHE CD1 . 34526 1 791 . 1 . 1 68 68 PHE CD2 C 13 131.157 0.000 . . . . . . A 65 PHE CD2 . 34526 1 792 . 1 . 1 68 68 PHE N N 15 123.075 0.000 . . . . . . A 65 PHE N . 34526 1 793 . 1 . 1 69 69 LYS H H 1 8.825 0.000 . . . . . . A 66 LYS H . 34526 1 794 . 1 . 1 69 69 LYS HA H 1 3.619 0.000 . . . . . . A 66 LYS HA . 34526 1 795 . 1 . 1 69 69 LYS HB2 H 1 1.885 0.000 . . . . . . A 66 LYS HB2 . 34526 1 796 . 1 . 1 69 69 LYS HB3 H 1 2.187 0.000 . . . . . . A 66 LYS HB3 . 34526 1 797 . 1 . 1 69 69 LYS HG2 H 1 1.300 0.000 . . . . . . A 66 LYS HG2 . 34526 1 798 . 1 . 1 69 69 LYS HG3 H 1 1.438 0.000 . . . . . . A 66 LYS HG3 . 34526 1 799 . 1 . 1 69 69 LYS HE2 H 1 2.896 0.000 . . . . . . A 66 LYS HE2 . 34526 1 800 . 1 . 1 69 69 LYS HE3 H 1 2.896 0.000 . . . . . . A 66 LYS HE3 . 34526 1 801 . 1 . 1 69 69 LYS CA C 13 60.693 0.000 . . . . . . A 66 LYS CA . 34526 1 802 . 1 . 1 69 69 LYS CB C 13 32.356 0.012 . . . . . . A 66 LYS CB . 34526 1 803 . 1 . 1 69 69 LYS CG C 13 24.799 0.002 . . . . . . A 66 LYS CG . 34526 1 804 . 1 . 1 69 69 LYS CE C 13 41.504 0.000 . . . . . . A 66 LYS CE . 34526 1 805 . 1 . 1 69 69 LYS N N 15 120.173 0.000 . . . . . . A 66 LYS N . 34526 1 806 . 1 . 1 70 70 ALA H H 1 7.968 0.000 . . . . . . A 67 ALA H . 34526 1 807 . 1 . 1 70 70 ALA HA H 1 4.271 0.000 . . . . . . A 67 ALA HA . 34526 1 808 . 1 . 1 70 70 ALA HB1 H 1 1.550 0.000 . . . . . . A 67 ALA HB1 . 34526 1 809 . 1 . 1 70 70 ALA HB2 H 1 1.550 0.000 . . . . . . A 67 ALA HB2 . 34526 1 810 . 1 . 1 70 70 ALA HB3 H 1 1.550 0.000 . . . . . . A 67 ALA HB3 . 34526 1 811 . 1 . 1 70 70 ALA CA C 13 54.968 0.000 . . . . . . A 67 ALA CA . 34526 1 812 . 1 . 1 70 70 ALA CB C 13 17.900 0.000 . . . . . . A 67 ALA CB . 34526 1 813 . 1 . 1 70 70 ALA N N 15 118.884 0.000 . . . . . . A 67 ALA N . 34526 1 814 . 1 . 1 71 71 ALA H H 1 7.963 0.000 . . . . . . A 68 ALA H . 34526 1 815 . 1 . 1 71 71 ALA HA H 1 4.217 0.000 . . . . . . A 68 ALA HA . 34526 1 816 . 1 . 1 71 71 ALA HB1 H 1 1.560 0.000 . . . . . . A 68 ALA HB1 . 34526 1 817 . 1 . 1 71 71 ALA HB2 H 1 1.560 0.000 . . . . . . A 68 ALA HB2 . 34526 1 818 . 1 . 1 71 71 ALA HB3 H 1 1.560 0.000 . . . . . . A 68 ALA HB3 . 34526 1 819 . 1 . 1 71 71 ALA CA C 13 55.257 0.000 . . . . . . A 68 ALA CA . 34526 1 820 . 1 . 1 71 71 ALA CB C 13 17.860 0.000 . . . . . . A 68 ALA CB . 34526 1 821 . 1 . 1 71 71 ALA N N 15 122.227 0.000 . . . . . . A 68 ALA N . 34526 1 822 . 1 . 1 72 72 LEU H H 1 8.190 0.000 . . . . . . A 69 LEU H . 34526 1 823 . 1 . 1 72 72 LEU HA H 1 3.863 0.000 . . . . . . A 69 LEU HA . 34526 1 824 . 1 . 1 72 72 LEU HB2 H 1 1.085 0.000 . . . . . . A 69 LEU HB2 . 34526 1 825 . 1 . 1 72 72 LEU HB3 H 1 2.003 0.000 . . . . . . A 69 LEU HB3 . 34526 1 826 . 1 . 1 72 72 LEU HG H 1 1.207 0.000 . . . . . . A 69 LEU HG . 34526 1 827 . 1 . 1 72 72 LEU HD11 H 1 0.385 0.000 . . . . . . A 69 LEU HD11 . 34526 1 828 . 1 . 1 72 72 LEU HD12 H 1 0.385 0.000 . . . . . . A 69 LEU HD12 . 34526 1 829 . 1 . 1 72 72 LEU HD13 H 1 0.385 0.000 . . . . . . A 69 LEU HD13 . 34526 1 830 . 1 . 1 72 72 LEU HD21 H 1 0.555 0.000 . . . . . . A 69 LEU HD21 . 34526 1 831 . 1 . 1 72 72 LEU HD22 H 1 0.555 0.000 . . . . . . A 69 LEU HD22 . 34526 1 832 . 1 . 1 72 72 LEU HD23 H 1 0.555 0.000 . . . . . . A 69 LEU HD23 . 34526 1 833 . 1 . 1 72 72 LEU CA C 13 57.607 0.000 . . . . . . A 69 LEU CA . 34526 1 834 . 1 . 1 72 72 LEU CB C 13 41.365 0.012 . . . . . . A 69 LEU CB . 34526 1 835 . 1 . 1 72 72 LEU CG C 13 25.983 0.000 . . . . . . A 69 LEU CG . 34526 1 836 . 1 . 1 72 72 LEU CD1 C 13 27.096 0.000 . . . . . . A 69 LEU CD1 . 34526 1 837 . 1 . 1 72 72 LEU CD2 C 13 23.368 0.000 . . . . . . A 69 LEU CD2 . 34526 1 838 . 1 . 1 72 72 LEU N N 15 118.870 0.000 . . . . . . A 69 LEU N . 34526 1 839 . 1 . 1 73 73 GLU H H 1 8.665 0.000 . . . . . . A 70 GLU H . 34526 1 840 . 1 . 1 73 73 GLU HA H 1 3.981 0.000 . . . . . . A 70 GLU HA . 34526 1 841 . 1 . 1 73 73 GLU HB2 H 1 1.991 0.000 . . . . . . A 70 GLU HB2 . 34526 1 842 . 1 . 1 73 73 GLU HB3 H 1 2.253 0.000 . . . . . . A 70 GLU HB3 . 34526 1 843 . 1 . 1 73 73 GLU HG2 H 1 2.509 0.000 . . . . . . A 70 GLU HG2 . 34526 1 844 . 1 . 1 73 73 GLU HG3 H 1 2.225 0.000 . . . . . . A 70 GLU HG3 . 34526 1 845 . 1 . 1 73 73 GLU CA C 13 59.908 0.000 . . . . . . A 70 GLU CA . 34526 1 846 . 1 . 1 73 73 GLU CB C 13 28.985 0.008 . . . . . . A 70 GLU CB . 34526 1 847 . 1 . 1 73 73 GLU CG C 13 37.188 0.007 . . . . . . A 70 GLU CG . 34526 1 848 . 1 . 1 73 73 GLU N N 15 120.419 0.000 . . . . . . A 70 GLU N . 34526 1 849 . 1 . 1 74 74 GLU H H 1 8.275 0.000 . . . . . . A 71 GLU H . 34526 1 850 . 1 . 1 74 74 GLU HA H 1 4.099 0.000 . . . . . . A 71 GLU HA . 34526 1 851 . 1 . 1 74 74 GLU HB2 H 1 2.228 0.000 . . . . . . A 71 GLU HB2 . 34526 1 852 . 1 . 1 74 74 GLU HB3 H 1 2.228 0.000 . . . . . . A 71 GLU HB3 . 34526 1 853 . 1 . 1 74 74 GLU HG2 H 1 2.470 0.000 . . . . . . A 71 GLU HG2 . 34526 1 854 . 1 . 1 74 74 GLU HG3 H 1 2.110 0.000 . . . . . . A 71 GLU HG3 . 34526 1 855 . 1 . 1 74 74 GLU CA C 13 59.604 0.000 . . . . . . A 71 GLU CA . 34526 1 856 . 1 . 1 74 74 GLU CB C 13 29.266 0.000 . . . . . . A 71 GLU CB . 34526 1 857 . 1 . 1 74 74 GLU CG C 13 36.412 0.003 . . . . . . A 71 GLU CG . 34526 1 858 . 1 . 1 74 74 GLU N N 15 122.162 0.000 . . . . . . A 71 GLU N . 34526 1 859 . 1 . 1 75 75 ALA H H 1 8.469 0.000 . . . . . . A 72 ALA H . 34526 1 860 . 1 . 1 75 75 ALA HA H 1 3.923 0.000 . . . . . . A 72 ALA HA . 34526 1 861 . 1 . 1 75 75 ALA HB1 H 1 1.453 0.000 . . . . . . A 72 ALA HB1 . 34526 1 862 . 1 . 1 75 75 ALA HB2 H 1 1.453 0.000 . . . . . . A 72 ALA HB2 . 34526 1 863 . 1 . 1 75 75 ALA HB3 H 1 1.453 0.000 . . . . . . A 72 ALA HB3 . 34526 1 864 . 1 . 1 75 75 ALA CA C 13 55.871 0.000 . . . . . . A 72 ALA CA . 34526 1 865 . 1 . 1 75 75 ALA CB C 13 17.131 0.000 . . . . . . A 72 ALA CB . 34526 1 866 . 1 . 1 75 75 ALA N N 15 122.970 0.000 . . . . . . A 72 ALA N . 34526 1 867 . 1 . 1 76 76 ASN H H 1 8.579 0.000 . . . . . . A 73 ASN H . 34526 1 868 . 1 . 1 76 76 ASN HA H 1 4.493 0.000 . . . . . . A 73 ASN HA . 34526 1 869 . 1 . 1 76 76 ASN HB2 H 1 2.562 0.000 . . . . . . A 73 ASN HB2 . 34526 1 870 . 1 . 1 76 76 ASN HB3 H 1 2.942 0.000 . . . . . . A 73 ASN HB3 . 34526 1 871 . 1 . 1 76 76 ASN HD21 H 1 7.555 0.000 . . . . . . A 73 ASN HD21 . 34526 1 872 . 1 . 1 76 76 ASN HD22 H 1 6.461 0.000 . . . . . . A 73 ASN HD22 . 34526 1 873 . 1 . 1 76 76 ASN CA C 13 56.218 0.000 . . . . . . A 73 ASN CA . 34526 1 874 . 1 . 1 76 76 ASN CB C 13 38.746 0.003 . . . . . . A 73 ASN CB . 34526 1 875 . 1 . 1 76 76 ASN N N 15 115.798 0.000 . . . . . . A 73 ASN N . 34526 1 876 . 1 . 1 76 76 ASN ND2 N 15 110.288 0.007 . . . . . . A 73 ASN ND2 . 34526 1 877 . 1 . 1 77 77 GLY H H 1 8.070 0.000 . . . . . . A 74 GLY H . 34526 1 878 . 1 . 1 77 77 GLY HA2 H 1 3.918 0.000 . . . . . . A 74 GLY HA2 . 34526 1 879 . 1 . 1 77 77 GLY HA3 H 1 4.025 0.000 . . . . . . A 74 GLY HA3 . 34526 1 880 . 1 . 1 77 77 GLY CA C 13 46.962 0.000 . . . . . . A 74 GLY CA . 34526 1 881 . 1 . 1 77 77 GLY N N 15 105.333 0.000 . . . . . . A 74 GLY N . 34526 1 882 . 1 . 1 78 78 GLU H H 1 8.121 0.000 . . . . . . A 75 GLU H . 34526 1 883 . 1 . 1 78 78 GLU HA H 1 4.141 0.000 . . . . . . A 75 GLU HA . 34526 1 884 . 1 . 1 78 78 GLU HB2 H 1 2.137 0.000 . . . . . . A 75 GLU HB2 . 34526 1 885 . 1 . 1 78 78 GLU HB3 H 1 2.322 0.000 . . . . . . A 75 GLU HB3 . 34526 1 886 . 1 . 1 78 78 GLU CA C 13 58.673 0.000 . . . . . . A 75 GLU CA . 34526 1 887 . 1 . 1 78 78 GLU CB C 13 29.787 0.004 . . . . . . A 75 GLU CB . 34526 1 888 . 1 . 1 78 78 GLU N N 15 123.440 0.000 . . . . . . A 75 GLU N . 34526 1 889 . 1 . 1 79 79 ILE H H 1 8.448 0.000 . . . . . . A 76 ILE H . 34526 1 890 . 1 . 1 79 79 ILE HA H 1 3.848 0.000 . . . . . . A 76 ILE HA . 34526 1 891 . 1 . 1 79 79 ILE HB H 1 2.065 0.000 . . . . . . A 76 ILE HB . 34526 1 892 . 1 . 1 79 79 ILE HG12 H 1 1.077 0.000 . . . . . . A 76 ILE HG12 . 34526 1 893 . 1 . 1 79 79 ILE HG13 H 1 1.628 0.000 . . . . . . A 76 ILE HG13 . 34526 1 894 . 1 . 1 79 79 ILE HG21 H 1 0.945 0.000 . . . . . . A 76 ILE HG21 . 34526 1 895 . 1 . 1 79 79 ILE HG22 H 1 0.945 0.000 . . . . . . A 76 ILE HG22 . 34526 1 896 . 1 . 1 79 79 ILE HG23 H 1 0.945 0.000 . . . . . . A 76 ILE HG23 . 34526 1 897 . 1 . 1 79 79 ILE HD11 H 1 0.808 0.000 . . . . . . A 76 ILE HD11 . 34526 1 898 . 1 . 1 79 79 ILE HD12 H 1 0.808 0.000 . . . . . . A 76 ILE HD12 . 34526 1 899 . 1 . 1 79 79 ILE HD13 H 1 0.808 0.000 . . . . . . A 76 ILE HD13 . 34526 1 900 . 1 . 1 79 79 ILE CA C 13 65.581 0.000 . . . . . . A 76 ILE CA . 34526 1 901 . 1 . 1 79 79 ILE CB C 13 37.869 0.000 . . . . . . A 76 ILE CB . 34526 1 902 . 1 . 1 79 79 ILE CG1 C 13 29.038 0.016 . . . . . . A 76 ILE CG1 . 34526 1 903 . 1 . 1 79 79 ILE CG2 C 13 17.857 0.000 . . . . . . A 76 ILE CG2 . 34526 1 904 . 1 . 1 79 79 ILE CD1 C 13 16.741 0.000 . . . . . . A 76 ILE CD1 . 34526 1 905 . 1 . 1 79 79 ILE N N 15 120.432 0.000 . . . . . . A 76 ILE N . 34526 1 906 . 1 . 1 80 80 GLU H H 1 7.916 0.000 . . . . . . A 77 GLU H . 34526 1 907 . 1 . 1 80 80 GLU HA H 1 3.940 0.000 . . . . . . A 77 GLU HA . 34526 1 908 . 1 . 1 80 80 GLU HB2 H 1 2.118 0.000 . . . . . . A 77 GLU HB2 . 34526 1 909 . 1 . 1 80 80 GLU HB3 H 1 2.118 0.000 . . . . . . A 77 GLU HB3 . 34526 1 910 . 1 . 1 80 80 GLU HG2 H 1 2.275 0.000 . . . . . . A 77 GLU HG2 . 34526 1 911 . 1 . 1 80 80 GLU HG3 H 1 2.275 0.000 . . . . . . A 77 GLU HG3 . 34526 1 912 . 1 . 1 80 80 GLU CA C 13 59.780 0.000 . . . . . . A 77 GLU CA . 34526 1 913 . 1 . 1 80 80 GLU CB C 13 29.182 0.000 . . . . . . A 77 GLU CB . 34526 1 914 . 1 . 1 80 80 GLU CG C 13 35.502 0.000 . . . . . . A 77 GLU CG . 34526 1 915 . 1 . 1 80 80 GLU N N 15 119.437 0.000 . . . . . . A 77 GLU N . 34526 1 916 . 1 . 1 81 81 LYS H H 1 7.768 0.000 . . . . . . A 78 LYS H . 34526 1 917 . 1 . 1 81 81 LYS HA H 1 3.919 0.000 . . . . . . A 78 LYS HA . 34526 1 918 . 1 . 1 81 81 LYS HB2 H 1 1.548 0.000 . . . . . . A 78 LYS HB2 . 34526 1 919 . 1 . 1 81 81 LYS HB3 H 1 1.651 0.000 . . . . . . A 78 LYS HB3 . 34526 1 920 . 1 . 1 81 81 LYS HG2 H 1 0.559 0.000 . . . . . . A 78 LYS HG2 . 34526 1 921 . 1 . 1 81 81 LYS HG3 H 1 1.245 0.000 . . . . . . A 78 LYS HG3 . 34526 1 922 . 1 . 1 81 81 LYS HD2 H 1 1.258 0.000 . . . . . . A 78 LYS HD2 . 34526 1 923 . 1 . 1 81 81 LYS HD3 H 1 1.366 0.000 . . . . . . A 78 LYS HD3 . 34526 1 924 . 1 . 1 81 81 LYS HE2 H 1 2.343 0.000 . . . . . . A 78 LYS HE2 . 34526 1 925 . 1 . 1 81 81 LYS HE3 H 1 2.513 0.000 . . . . . . A 78 LYS HE3 . 34526 1 926 . 1 . 1 81 81 LYS CA C 13 59.778 0.000 . . . . . . A 78 LYS CA . 34526 1 927 . 1 . 1 81 81 LYS CB C 13 32.151 0.002 . . . . . . A 78 LYS CB . 34526 1 928 . 1 . 1 81 81 LYS CG C 13 24.139 0.004 . . . . . . A 78 LYS CG . 34526 1 929 . 1 . 1 81 81 LYS CD C 13 29.191 0.001 . . . . . . A 78 LYS CD . 34526 1 930 . 1 . 1 81 81 LYS CE C 13 41.098 0.001 . . . . . . A 78 LYS CE . 34526 1 931 . 1 . 1 81 81 LYS N N 15 121.581 0.000 . . . . . . A 78 LYS N . 34526 1 932 . 1 . 1 82 82 PHE H H 1 8.261 0.000 . . . . . . A 79 PHE H . 34526 1 933 . 1 . 1 82 82 PHE HA H 1 4.737 0.000 . . . . . . A 79 PHE HA . 34526 1 934 . 1 . 1 82 82 PHE HB2 H 1 2.754 0.000 . . . . . . A 79 PHE HB2 . 34526 1 935 . 1 . 1 82 82 PHE HB3 H 1 3.350 0.000 . . . . . . A 79 PHE HB3 . 34526 1 936 . 1 . 1 82 82 PHE HD1 H 1 6.826 0.000 . . . . . . A 79 PHE HD1 . 34526 1 937 . 1 . 1 82 82 PHE HD2 H 1 6.826 0.000 . . . . . . A 79 PHE HD2 . 34526 1 938 . 1 . 1 82 82 PHE HE1 H 1 6.937 0.000 . . . . . . A 79 PHE HE1 . 34526 1 939 . 1 . 1 82 82 PHE HE2 H 1 6.937 0.000 . . . . . . A 79 PHE HE2 . 34526 1 940 . 1 . 1 82 82 PHE CA C 13 58.086 0.000 . . . . . . A 79 PHE CA . 34526 1 941 . 1 . 1 82 82 PHE CB C 13 36.734 0.021 . . . . . . A 79 PHE CB . 34526 1 942 . 1 . 1 82 82 PHE CD1 C 13 130.508 0.000 . . . . . . A 79 PHE CD1 . 34526 1 943 . 1 . 1 82 82 PHE CD2 C 13 130.508 0.000 . . . . . . A 79 PHE CD2 . 34526 1 944 . 1 . 1 82 82 PHE CE1 C 13 131.344 0.000 . . . . . . A 79 PHE CE1 . 34526 1 945 . 1 . 1 82 82 PHE CE2 C 13 131.344 0.000 . . . . . . A 79 PHE CE2 . 34526 1 946 . 1 . 1 82 82 PHE N N 15 115.844 0.000 . . . . . . A 79 PHE N . 34526 1 947 . 1 . 1 83 83 SER H H 1 7.715 0.000 . . . . . . A 80 SER H . 34526 1 948 . 1 . 1 83 83 SER HA H 1 4.539 0.000 . . . . . . A 80 SER HA . 34526 1 949 . 1 . 1 83 83 SER HB2 H 1 4.097 0.000 . . . . . . A 80 SER HB2 . 34526 1 950 . 1 . 1 83 83 SER HB3 H 1 4.149 0.000 . . . . . . A 80 SER HB3 . 34526 1 951 . 1 . 1 83 83 SER CA C 13 60.648 0.000 . . . . . . A 80 SER CA . 34526 1 952 . 1 . 1 83 83 SER CB C 13 63.431 0.012 . . . . . . A 80 SER CB . 34526 1 953 . 1 . 1 83 83 SER N N 15 113.266 0.000 . . . . . . A 80 SER N . 34526 1 954 . 1 . 1 84 84 ASN H H 1 7.343 0.000 . . . . . . A 81 ASN H . 34526 1 955 . 1 . 1 84 84 ASN HA H 1 5.013 0.000 . . . . . . A 81 ASN HA . 34526 1 956 . 1 . 1 84 84 ASN HB2 H 1 2.900 0.000 . . . . . . A 81 ASN HB2 . 34526 1 957 . 1 . 1 84 84 ASN HB3 H 1 3.060 0.000 . . . . . . A 81 ASN HB3 . 34526 1 958 . 1 . 1 84 84 ASN HD21 H 1 7.104 0.000 . . . . . . A 81 ASN HD21 . 34526 1 959 . 1 . 1 84 84 ASN HD22 H 1 7.758 0.000 . . . . . . A 81 ASN HD22 . 34526 1 960 . 1 . 1 84 84 ASN CA C 13 52.103 0.000 . . . . . . A 81 ASN CA . 34526 1 961 . 1 . 1 84 84 ASN CB C 13 40.196 0.000 . . . . . . A 81 ASN CB . 34526 1 962 . 1 . 1 84 84 ASN N N 15 119.490 0.000 . . . . . . A 81 ASN N . 34526 1 963 . 1 . 1 84 84 ASN ND2 N 15 113.651 0.001 . . . . . . A 81 ASN ND2 . 34526 1 964 . 1 . 1 85 85 ARG HA H 1 3.595 0.000 . . . . . . A 82 ARG HA . 34526 1 965 . 1 . 1 85 85 ARG HB2 H 1 1.747 0.000 . . . . . . A 82 ARG HB2 . 34526 1 966 . 1 . 1 85 85 ARG HG2 H 1 1.122 0.000 . . . . . . A 82 ARG HG2 . 34526 1 967 . 1 . 1 85 85 ARG HD2 H 1 3.057 0.000 . . . . . . A 82 ARG HD2 . 34526 1 968 . 1 . 1 85 85 ARG HD3 H 1 2.995 0.000 . . . . . . A 82 ARG HD3 . 34526 1 969 . 1 . 1 85 85 ARG CA C 13 59.772 0.000 . . . . . . A 82 ARG CA . 34526 1 970 . 1 . 1 85 85 ARG CB C 13 30.179 0.000 . . . . . . A 82 ARG CB . 34526 1 971 . 1 . 1 85 85 ARG CG C 13 27.252 0.000 . . . . . . A 82 ARG CG . 34526 1 972 . 1 . 1 85 85 ARG CD C 13 43.109 0.007 . . . . . . A 82 ARG CD . 34526 1 973 . 1 . 1 86 86 SER H H 1 8.477 0.000 . . . . . . A 83 SER H . 34526 1 974 . 1 . 1 86 86 SER HA H 1 4.253 0.000 . . . . . . A 83 SER HA . 34526 1 975 . 1 . 1 86 86 SER HB2 H 1 3.962 0.000 . . . . . . A 83 SER HB2 . 34526 1 976 . 1 . 1 86 86 SER HB3 H 1 3.962 0.000 . . . . . . A 83 SER HB3 . 34526 1 977 . 1 . 1 86 86 SER CA C 13 61.808 0.000 . . . . . . A 83 SER CA . 34526 1 978 . 1 . 1 86 86 SER CB C 13 62.283 0.000 . . . . . . A 83 SER CB . 34526 1 979 . 1 . 1 86 86 SER N N 15 114.697 0.000 . . . . . . A 83 SER N . 34526 1 980 . 1 . 1 87 87 ASN HA H 1 4.630 0.000 . . . . . . A 84 ASN HA . 34526 1 981 . 1 . 1 87 87 ASN HB2 H 1 2.614 0.000 . . . . . . A 84 ASN HB2 . 34526 1 982 . 1 . 1 87 87 ASN HB3 H 1 3.339 0.000 . . . . . . A 84 ASN HB3 . 34526 1 983 . 1 . 1 87 87 ASN HD21 H 1 7.248 0.000 . . . . . . A 84 ASN HD21 . 34526 1 984 . 1 . 1 87 87 ASN HD22 H 1 8.316 0.000 . . . . . . A 84 ASN HD22 . 34526 1 985 . 1 . 1 87 87 ASN CA C 13 55.313 0.000 . . . . . . A 84 ASN CA . 34526 1 986 . 1 . 1 87 87 ASN CB C 13 37.403 0.007 . . . . . . A 84 ASN CB . 34526 1 987 . 1 . 1 87 87 ASN ND2 N 15 113.366 0.002 . . . . . . A 84 ASN ND2 . 34526 1 988 . 1 . 1 88 88 ILE H H 1 7.811 0.000 . . . . . . A 85 ILE H . 34526 1 989 . 1 . 1 88 88 ILE HA H 1 3.830 0.000 . . . . . . A 85 ILE HA . 34526 1 990 . 1 . 1 88 88 ILE HB H 1 2.038 0.000 . . . . . . A 85 ILE HB . 34526 1 991 . 1 . 1 88 88 ILE HG12 H 1 1.002 0.000 . . . . . . A 85 ILE HG12 . 34526 1 992 . 1 . 1 88 88 ILE HG13 H 1 1.577 0.000 . . . . . . A 85 ILE HG13 . 34526 1 993 . 1 . 1 88 88 ILE HG21 H 1 0.438 0.000 . . . . . . A 85 ILE HG21 . 34526 1 994 . 1 . 1 88 88 ILE HG22 H 1 0.438 0.000 . . . . . . A 85 ILE HG22 . 34526 1 995 . 1 . 1 88 88 ILE HG23 H 1 0.438 0.000 . . . . . . A 85 ILE HG23 . 34526 1 996 . 1 . 1 88 88 ILE HD11 H 1 0.873 0.000 . . . . . . A 85 ILE HD11 . 34526 1 997 . 1 . 1 88 88 ILE HD12 H 1 0.873 0.000 . . . . . . A 85 ILE HD12 . 34526 1 998 . 1 . 1 88 88 ILE HD13 H 1 0.873 0.000 . . . . . . A 85 ILE HD13 . 34526 1 999 . 1 . 1 88 88 ILE CA C 13 65.316 0.000 . . . . . . A 85 ILE CA . 34526 1 1000 . 1 . 1 88 88 ILE CB C 13 37.158 0.000 . . . . . . A 85 ILE CB . 34526 1 1001 . 1 . 1 88 88 ILE CG1 C 13 28.982 0.008 . . . . . . A 85 ILE CG1 . 34526 1 1002 . 1 . 1 88 88 ILE CG2 C 13 18.005 0.000 . . . . . . A 85 ILE CG2 . 34526 1 1003 . 1 . 1 88 88 ILE CD1 C 13 13.996 0.000 . . . . . . A 85 ILE CD1 . 34526 1 1004 . 1 . 1 88 88 ILE N N 15 122.318 0.000 . . . . . . A 85 ILE N . 34526 1 1005 . 1 . 1 89 89 CYS H H 1 8.407 0.000 . . . . . . A 86 CYS H . 34526 1 1006 . 1 . 1 89 89 CYS HA H 1 3.978 0.000 . . . . . . A 86 CYS HA . 34526 1 1007 . 1 . 1 89 89 CYS HB2 H 1 3.109 0.000 . . . . . . A 86 CYS HB2 . 34526 1 1008 . 1 . 1 89 89 CYS HB3 H 1 3.109 0.000 . . . . . . A 86 CYS HB3 . 34526 1 1009 . 1 . 1 89 89 CYS CA C 13 63.737 0.000 . . . . . . A 86 CYS CA . 34526 1 1010 . 1 . 1 89 89 CYS CB C 13 26.665 0.000 . . . . . . A 86 CYS CB . 34526 1 1011 . 1 . 1 89 89 CYS N N 15 119.353 0.000 . . . . . . A 86 CYS N . 34526 1 1012 . 1 . 1 90 90 ARG H H 1 7.969 0.000 . . . . . . A 87 ARG H . 34526 1 1013 . 1 . 1 90 90 ARG HA H 1 4.042 0.000 . . . . . . A 87 ARG HA . 34526 1 1014 . 1 . 1 90 90 ARG HB2 H 1 1.967 0.000 . . . . . . A 87 ARG HB2 . 34526 1 1015 . 1 . 1 90 90 ARG HB3 H 1 1.967 0.000 . . . . . . A 87 ARG HB3 . 34526 1 1016 . 1 . 1 90 90 ARG HG2 H 1 1.696 0.000 . . . . . . A 87 ARG HG2 . 34526 1 1017 . 1 . 1 90 90 ARG HG3 H 1 1.844 0.000 . . . . . . A 87 ARG HG3 . 34526 1 1018 . 1 . 1 90 90 ARG HD2 H 1 3.262 0.000 . . . . . . A 87 ARG HD2 . 34526 1 1019 . 1 . 1 90 90 ARG HD3 H 1 3.262 0.000 . . . . . . A 87 ARG HD3 . 34526 1 1020 . 1 . 1 90 90 ARG CA C 13 59.603 0.000 . . . . . . A 87 ARG CA . 34526 1 1021 . 1 . 1 90 90 ARG CB C 13 30.332 0.000 . . . . . . A 87 ARG CB . 34526 1 1022 . 1 . 1 90 90 ARG CG C 13 27.781 0.021 . . . . . . A 87 ARG CG . 34526 1 1023 . 1 . 1 90 90 ARG CD C 13 43.330 0.000 . . . . . . A 87 ARG CD . 34526 1 1024 . 1 . 1 90 90 ARG N N 15 119.136 0.000 . . . . . . A 87 ARG N . 34526 1 1025 . 1 . 1 91 91 PHE H H 1 7.812 0.000 . . . . . . A 88 PHE H . 34526 1 1026 . 1 . 1 91 91 PHE HA H 1 4.250 0.000 . . . . . . A 88 PHE HA . 34526 1 1027 . 1 . 1 91 91 PHE HB2 H 1 3.153 0.000 . . . . . . A 88 PHE HB2 . 34526 1 1028 . 1 . 1 91 91 PHE HB3 H 1 3.414 0.000 . . . . . . A 88 PHE HB3 . 34526 1 1029 . 1 . 1 91 91 PHE HD1 H 1 7.069 0.000 . . . . . . A 88 PHE HD1 . 34526 1 1030 . 1 . 1 91 91 PHE HD2 H 1 7.069 0.000 . . . . . . A 88 PHE HD2 . 34526 1 1031 . 1 . 1 91 91 PHE CA C 13 61.452 0.000 . . . . . . A 88 PHE CA . 34526 1 1032 . 1 . 1 91 91 PHE CB C 13 39.708 0.010 . . . . . . A 88 PHE CB . 34526 1 1033 . 1 . 1 91 91 PHE CD1 C 13 132.254 0.000 . . . . . . A 88 PHE CD1 . 34526 1 1034 . 1 . 1 91 91 PHE CD2 C 13 132.254 0.000 . . . . . . A 88 PHE CD2 . 34526 1 1035 . 1 . 1 91 91 PHE N N 15 120.380 0.000 . . . . . . A 88 PHE N . 34526 1 1036 . 1 . 1 92 92 LEU H H 1 8.708 0.000 . . . . . . A 89 LEU H . 34526 1 1037 . 1 . 1 92 92 LEU HA H 1 3.655 0.000 . . . . . . A 89 LEU HA . 34526 1 1038 . 1 . 1 92 92 LEU HB2 H 1 1.236 0.000 . . . . . . A 89 LEU HB2 . 34526 1 1039 . 1 . 1 92 92 LEU HB3 H 1 1.732 0.000 . . . . . . A 89 LEU HB3 . 34526 1 1040 . 1 . 1 92 92 LEU HG H 1 1.715 0.000 . . . . . . A 89 LEU HG . 34526 1 1041 . 1 . 1 92 92 LEU HD11 H 1 0.403 0.000 . . . . . . A 89 LEU HD11 . 34526 1 1042 . 1 . 1 92 92 LEU HD12 H 1 0.403 0.000 . . . . . . A 89 LEU HD12 . 34526 1 1043 . 1 . 1 92 92 LEU HD13 H 1 0.403 0.000 . . . . . . A 89 LEU HD13 . 34526 1 1044 . 1 . 1 92 92 LEU HD21 H 1 0.766 0.000 . . . . . . A 89 LEU HD21 . 34526 1 1045 . 1 . 1 92 92 LEU HD22 H 1 0.766 0.000 . . . . . . A 89 LEU HD22 . 34526 1 1046 . 1 . 1 92 92 LEU HD23 H 1 0.766 0.000 . . . . . . A 89 LEU HD23 . 34526 1 1047 . 1 . 1 92 92 LEU CA C 13 57.395 0.000 . . . . . . A 89 LEU CA . 34526 1 1048 . 1 . 1 92 92 LEU CB C 13 41.585 0.002 . . . . . . A 89 LEU CB . 34526 1 1049 . 1 . 1 92 92 LEU CG C 13 26.818 0.000 . . . . . . A 89 LEU CG . 34526 1 1050 . 1 . 1 92 92 LEU CD1 C 13 26.428 0.000 . . . . . . A 89 LEU CD1 . 34526 1 1051 . 1 . 1 92 92 LEU CD2 C 13 22.771 0.000 . . . . . . A 89 LEU CD2 . 34526 1 1052 . 1 . 1 92 92 LEU N N 15 118.226 0.000 . . . . . . A 89 LEU N . 34526 1 1053 . 1 . 1 93 93 THR H H 1 7.769 0.000 . . . . . . A 90 THR H . 34526 1 1054 . 1 . 1 93 93 THR HA H 1 3.999 0.000 . . . . . . A 90 THR HA . 34526 1 1055 . 1 . 1 93 93 THR HB H 1 4.224 0.000 . . . . . . A 90 THR HB . 34526 1 1056 . 1 . 1 93 93 THR HG21 H 1 1.257 0.000 . . . . . . A 90 THR HG21 . 34526 1 1057 . 1 . 1 93 93 THR HG22 H 1 1.257 0.000 . . . . . . A 90 THR HG22 . 34526 1 1058 . 1 . 1 93 93 THR HG23 H 1 1.257 0.000 . . . . . . A 90 THR HG23 . 34526 1 1059 . 1 . 1 93 93 THR CA C 13 65.272 0.000 . . . . . . A 90 THR CA . 34526 1 1060 . 1 . 1 93 93 THR CB C 13 68.869 0.000 . . . . . . A 90 THR CB . 34526 1 1061 . 1 . 1 93 93 THR CG2 C 13 21.427 0.000 . . . . . . A 90 THR CG2 . 34526 1 1062 . 1 . 1 93 93 THR N N 15 112.248 0.000 . . . . . . A 90 THR N . 34526 1 1063 . 1 . 1 94 94 ALA H H 1 7.235 0.000 . . . . . . A 91 ALA H . 34526 1 1064 . 1 . 1 94 94 ALA HA H 1 4.294 0.000 . . . . . . A 91 ALA HA . 34526 1 1065 . 1 . 1 94 94 ALA HB1 H 1 1.369 0.000 . . . . . . A 91 ALA HB1 . 34526 1 1066 . 1 . 1 94 94 ALA HB2 H 1 1.369 0.000 . . . . . . A 91 ALA HB2 . 34526 1 1067 . 1 . 1 94 94 ALA HB3 H 1 1.369 0.000 . . . . . . A 91 ALA HB3 . 34526 1 1068 . 1 . 1 94 94 ALA CA C 13 52.861 0.000 . . . . . . A 91 ALA CA . 34526 1 1069 . 1 . 1 94 94 ALA CB C 13 19.842 0.000 . . . . . . A 91 ALA CB . 34526 1 1070 . 1 . 1 94 94 ALA N N 15 122.335 0.000 . . . . . . A 91 ALA N . 34526 1 1071 . 1 . 1 95 95 SER H H 1 7.557 0.000 . . . . . . A 92 SER H . 34526 1 1072 . 1 . 1 95 95 SER HA H 1 4.154 0.000 . . . . . . A 92 SER HA . 34526 1 1073 . 1 . 1 95 95 SER HB2 H 1 3.089 0.000 . . . . . . A 92 SER HB2 . 34526 1 1074 . 1 . 1 95 95 SER HB3 H 1 3.089 0.000 . . . . . . A 92 SER HB3 . 34526 1 1075 . 1 . 1 95 95 SER CA C 13 57.500 0.000 . . . . . . A 92 SER CA . 34526 1 1076 . 1 . 1 95 95 SER CB C 13 63.927 0.000 . . . . . . A 92 SER CB . 34526 1 1077 . 1 . 1 95 95 SER N N 15 113.080 0.000 . . . . . . A 92 SER N . 34526 1 1078 . 1 . 1 96 96 GLN HA H 1 4.242 0.000 . . . . . . A 93 GLN HA . 34526 1 1079 . 1 . 1 96 96 GLN HB2 H 1 2.045 0.000 . . . . . . A 93 GLN HB2 . 34526 1 1080 . 1 . 1 96 96 GLN HB3 H 1 2.121 0.000 . . . . . . A 93 GLN HB3 . 34526 1 1081 . 1 . 1 96 96 GLN HG2 H 1 2.396 0.000 . . . . . . A 93 GLN HG2 . 34526 1 1082 . 1 . 1 96 96 GLN HG3 H 1 2.396 0.000 . . . . . . A 93 GLN HG3 . 34526 1 1083 . 1 . 1 96 96 GLN HE21 H 1 6.883 0.000 . . . . . . A 93 GLN HE21 . 34526 1 1084 . 1 . 1 96 96 GLN HE22 H 1 7.549 0.000 . . . . . . A 93 GLN HE22 . 34526 1 1085 . 1 . 1 96 96 GLN CA C 13 57.696 0.000 . . . . . . A 93 GLN CA . 34526 1 1086 . 1 . 1 96 96 GLN CB C 13 28.952 0.010 . . . . . . A 93 GLN CB . 34526 1 1087 . 1 . 1 96 96 GLN CG C 13 33.910 0.000 . . . . . . A 93 GLN CG . 34526 1 1088 . 1 . 1 96 96 GLN NE2 N 15 112.900 0.001 . . . . . . A 93 GLN NE2 . 34526 1 1089 . 1 . 1 97 97 ASP H H 1 7.869 0.000 . . . . . . A 94 ASP H . 34526 1 1090 . 1 . 1 97 97 ASP HA H 1 4.588 0.000 . . . . . . A 94 ASP HA . 34526 1 1091 . 1 . 1 97 97 ASP HB2 H 1 2.592 0.000 . . . . . . A 94 ASP HB2 . 34526 1 1092 . 1 . 1 97 97 ASP HB3 H 1 2.893 0.000 . . . . . . A 94 ASP HB3 . 34526 1 1093 . 1 . 1 97 97 ASP CA C 13 53.994 0.000 . . . . . . A 94 ASP CA . 34526 1 1094 . 1 . 1 97 97 ASP CB C 13 41.539 0.044 . . . . . . A 94 ASP CB . 34526 1 1095 . 1 . 1 97 97 ASP N N 15 116.596 0.000 . . . . . . A 94 ASP N . 34526 1 1096 . 1 . 1 99 99 ILE HA H 1 4.356 0.000 . . . . . . A 96 ILE HA . 34526 1 1097 . 1 . 1 99 99 ILE HB H 1 1.709 0.000 . . . . . . A 96 ILE HB . 34526 1 1098 . 1 . 1 99 99 ILE HG12 H 1 1.518 0.000 . . . . . . A 96 ILE HG12 . 34526 1 1099 . 1 . 1 99 99 ILE HG21 H 1 0.973 0.000 . . . . . . A 96 ILE HG21 . 34526 1 1100 . 1 . 1 99 99 ILE HG22 H 1 0.973 0.000 . . . . . . A 96 ILE HG22 . 34526 1 1101 . 1 . 1 99 99 ILE HG23 H 1 0.973 0.000 . . . . . . A 96 ILE HG23 . 34526 1 1102 . 1 . 1 99 99 ILE HD11 H 1 0.822 0.000 . . . . . . A 96 ILE HD11 . 34526 1 1103 . 1 . 1 99 99 ILE HD12 H 1 0.822 0.000 . . . . . . A 96 ILE HD12 . 34526 1 1104 . 1 . 1 99 99 ILE HD13 H 1 0.822 0.000 . . . . . . A 96 ILE HD13 . 34526 1 1105 . 1 . 1 99 99 ILE CA C 13 60.836 0.000 . . . . . . A 96 ILE CA . 34526 1 1106 . 1 . 1 99 99 ILE CB C 13 37.917 0.000 . . . . . . A 96 ILE CB . 34526 1 1107 . 1 . 1 99 99 ILE CG1 C 13 27.467 0.000 . . . . . . A 96 ILE CG1 . 34526 1 1108 . 1 . 1 99 99 ILE CG2 C 13 18.921 0.000 . . . . . . A 96 ILE CG2 . 34526 1 1109 . 1 . 1 99 99 ILE CD1 C 13 13.513 0.000 . . . . . . A 96 ILE CD1 . 34526 1 1110 . 1 . 1 100 100 LEU H H 1 8.696 0.000 . . . . . . A 97 LEU H . 34526 1 1111 . 1 . 1 100 100 LEU HA H 1 3.137 0.000 . . . . . . A 97 LEU HA . 34526 1 1112 . 1 . 1 100 100 LEU HB2 H 1 0.216 0.000 . . . . . . A 97 LEU HB2 . 34526 1 1113 . 1 . 1 100 100 LEU HB3 H 1 0.524 0.000 . . . . . . A 97 LEU HB3 . 34526 1 1114 . 1 . 1 100 100 LEU HG H 1 0.137 0.000 . . . . . . A 97 LEU HG . 34526 1 1115 . 1 . 1 100 100 LEU HD11 H 1 -0.373 0.000 . . . . . . A 97 LEU HD11 . 34526 1 1116 . 1 . 1 100 100 LEU HD12 H 1 -0.373 0.000 . . . . . . A 97 LEU HD12 . 34526 1 1117 . 1 . 1 100 100 LEU HD13 H 1 -0.373 0.000 . . . . . . A 97 LEU HD13 . 34526 1 1118 . 1 . 1 100 100 LEU HD21 H 1 -0.244 0.000 . . . . . . A 97 LEU HD21 . 34526 1 1119 . 1 . 1 100 100 LEU HD22 H 1 -0.244 0.000 . . . . . . A 97 LEU HD22 . 34526 1 1120 . 1 . 1 100 100 LEU HD23 H 1 -0.244 0.000 . . . . . . A 97 LEU HD23 . 34526 1 1121 . 1 . 1 100 100 LEU CA C 13 57.927 0.000 . . . . . . A 97 LEU CA . 34526 1 1122 . 1 . 1 100 100 LEU CB C 13 42.943 0.002 . . . . . . A 97 LEU CB . 34526 1 1123 . 1 . 1 100 100 LEU CG C 13 26.096 0.000 . . . . . . A 97 LEU CG . 34526 1 1124 . 1 . 1 100 100 LEU CD1 C 13 23.270 0.000 . . . . . . A 97 LEU CD1 . 34526 1 1125 . 1 . 1 100 100 LEU CD2 C 13 24.162 0.000 . . . . . . A 97 LEU CD2 . 34526 1 1126 . 1 . 1 100 100 LEU N N 15 131.209 0.000 . . . . . . A 97 LEU N . 34526 1 1127 . 1 . 1 101 101 PHE H H 1 8.524 0.000 . . . . . . A 98 PHE H . 34526 1 1128 . 1 . 1 101 101 PHE HA H 1 5.126 0.000 . . . . . . A 98 PHE HA . 34526 1 1129 . 1 . 1 101 101 PHE HB2 H 1 3.424 0.000 . . . . . . A 98 PHE HB2 . 34526 1 1130 . 1 . 1 101 101 PHE HB3 H 1 2.654 0.000 . . . . . . A 98 PHE HB3 . 34526 1 1131 . 1 . 1 101 101 PHE HD1 H 1 7.141 0.000 . . . . . . A 98 PHE HD1 . 34526 1 1132 . 1 . 1 101 101 PHE HD2 H 1 7.141 0.000 . . . . . . A 98 PHE HD2 . 34526 1 1133 . 1 . 1 101 101 PHE CA C 13 55.590 0.000 . . . . . . A 98 PHE CA . 34526 1 1134 . 1 . 1 101 101 PHE CB C 13 37.526 0.002 . . . . . . A 98 PHE CB . 34526 1 1135 . 1 . 1 101 101 PHE CD1 C 13 131.778 0.000 . . . . . . A 98 PHE CD1 . 34526 1 1136 . 1 . 1 101 101 PHE CD2 C 13 131.778 0.000 . . . . . . A 98 PHE CD2 . 34526 1 1137 . 1 . 1 101 101 PHE N N 15 113.743 0.000 . . . . . . A 98 PHE N . 34526 1 1138 . 1 . 1 102 102 LYS H H 1 6.836 0.000 . . . . . . A 99 LYS H . 34526 1 1139 . 1 . 1 102 102 LYS HA H 1 3.892 0.000 . . . . . . A 99 LYS HA . 34526 1 1140 . 1 . 1 102 102 LYS HB2 H 1 1.862 0.000 . . . . . . A 99 LYS HB2 . 34526 1 1141 . 1 . 1 102 102 LYS HB3 H 1 1.924 0.000 . . . . . . A 99 LYS HB3 . 34526 1 1142 . 1 . 1 102 102 LYS HG2 H 1 1.416 0.000 . . . . . . A 99 LYS HG2 . 34526 1 1143 . 1 . 1 102 102 LYS HG3 H 1 1.647 0.000 . . . . . . A 99 LYS HG3 . 34526 1 1144 . 1 . 1 102 102 LYS HD2 H 1 1.839 0.000 . . . . . . A 99 LYS HD2 . 34526 1 1145 . 1 . 1 102 102 LYS HD3 H 1 1.878 0.000 . . . . . . A 99 LYS HD3 . 34526 1 1146 . 1 . 1 102 102 LYS HE2 H 1 3.034 0.000 . . . . . . A 99 LYS HE2 . 34526 1 1147 . 1 . 1 102 102 LYS HE3 H 1 3.114 0.000 . . . . . . A 99 LYS HE3 . 34526 1 1148 . 1 . 1 102 102 LYS CA C 13 61.144 0.000 . . . . . . A 99 LYS CA . 34526 1 1149 . 1 . 1 102 102 LYS CB C 13 33.486 0.005 . . . . . . A 99 LYS CB . 34526 1 1150 . 1 . 1 102 102 LYS CG C 13 24.248 0.002 . . . . . . A 99 LYS CG . 34526 1 1151 . 1 . 1 102 102 LYS CD C 13 29.544 0.007 . . . . . . A 99 LYS CD . 34526 1 1152 . 1 . 1 102 102 LYS CE C 13 41.791 0.014 . . . . . . A 99 LYS CE . 34526 1 1153 . 1 . 1 102 102 LYS N N 15 119.514 0.000 . . . . . . A 99 LYS N . 34526 1 1154 . 1 . 1 103 103 ASP H H 1 8.611 0.000 . . . . . . A 100 ASP H . 34526 1 1155 . 1 . 1 103 103 ASP HA H 1 4.640 0.000 . . . . . . A 100 ASP HA . 34526 1 1156 . 1 . 1 103 103 ASP HB2 H 1 2.728 0.000 . . . . . . A 100 ASP HB2 . 34526 1 1157 . 1 . 1 103 103 ASP HB3 H 1 2.806 0.000 . . . . . . A 100 ASP HB3 . 34526 1 1158 . 1 . 1 103 103 ASP CA C 13 57.804 0.000 . . . . . . A 100 ASP CA . 34526 1 1159 . 1 . 1 103 103 ASP CB C 13 40.395 0.019 . . . . . . A 100 ASP CB . 34526 1 1160 . 1 . 1 103 103 ASP N N 15 117.903 0.000 . . . . . . A 100 ASP N . 34526 1 1161 . 1 . 1 104 104 VAL H H 1 8.326 0.000 . . . . . . A 101 VAL H . 34526 1 1162 . 1 . 1 104 104 VAL HA H 1 3.882 0.000 . . . . . . A 101 VAL HA . 34526 1 1163 . 1 . 1 104 104 VAL HB H 1 2.200 0.000 . . . . . . A 101 VAL HB . 34526 1 1164 . 1 . 1 104 104 VAL HG11 H 1 1.155 0.000 . . . . . . A 101 VAL HG11 . 34526 1 1165 . 1 . 1 104 104 VAL HG12 H 1 1.155 0.000 . . . . . . A 101 VAL HG12 . 34526 1 1166 . 1 . 1 104 104 VAL HG13 H 1 1.155 0.000 . . . . . . A 101 VAL HG13 . 34526 1 1167 . 1 . 1 104 104 VAL HG21 H 1 1.002 0.000 . . . . . . A 101 VAL HG21 . 34526 1 1168 . 1 . 1 104 104 VAL HG22 H 1 1.002 0.000 . . . . . . A 101 VAL HG22 . 34526 1 1169 . 1 . 1 104 104 VAL HG23 H 1 1.002 0.000 . . . . . . A 101 VAL HG23 . 34526 1 1170 . 1 . 1 104 104 VAL CA C 13 65.788 0.000 . . . . . . A 101 VAL CA . 34526 1 1171 . 1 . 1 104 104 VAL CB C 13 32.172 0.000 . . . . . . A 101 VAL CB . 34526 1 1172 . 1 . 1 104 104 VAL CG1 C 13 23.552 0.000 . . . . . . A 101 VAL CG1 . 34526 1 1173 . 1 . 1 104 104 VAL CG2 C 13 21.451 0.000 . . . . . . A 101 VAL CG2 . 34526 1 1174 . 1 . 1 104 104 VAL N N 15 122.725 0.000 . . . . . . A 101 VAL N . 34526 1 1175 . 1 . 1 105 105 ASN H H 1 9.142 0.000 . . . . . . A 102 ASN H . 34526 1 1176 . 1 . 1 105 105 ASN HA H 1 4.594 0.000 . . . . . . A 102 ASN HA . 34526 1 1177 . 1 . 1 105 105 ASN HB2 H 1 2.946 0.000 . . . . . . A 102 ASN HB2 . 34526 1 1178 . 1 . 1 105 105 ASN HB3 H 1 3.041 0.000 . . . . . . A 102 ASN HB3 . 34526 1 1179 . 1 . 1 105 105 ASN HD21 H 1 5.631 0.000 . . . . . . A 102 ASN HD21 . 34526 1 1180 . 1 . 1 105 105 ASN HD22 H 1 7.850 0.000 . . . . . . A 102 ASN HD22 . 34526 1 1181 . 1 . 1 105 105 ASN CA C 13 56.193 0.000 . . . . . . A 102 ASN CA . 34526 1 1182 . 1 . 1 105 105 ASN CB C 13 37.723 0.006 . . . . . . A 102 ASN CB . 34526 1 1183 . 1 . 1 105 105 ASN N N 15 121.163 0.000 . . . . . . A 102 ASN N . 34526 1 1184 . 1 . 1 105 105 ASN ND2 N 15 105.880 0.010 . . . . . . A 102 ASN ND2 . 34526 1 1185 . 1 . 1 106 106 ARG H H 1 7.721 0.000 . . . . . . A 103 ARG H . 34526 1 1186 . 1 . 1 106 106 ARG HA H 1 4.196 0.000 . . . . . . A 103 ARG HA . 34526 1 1187 . 1 . 1 106 106 ARG HB2 H 1 2.068 0.000 . . . . . . A 103 ARG HB2 . 34526 1 1188 . 1 . 1 106 106 ARG HB3 H 1 2.191 0.000 . . . . . . A 103 ARG HB3 . 34526 1 1189 . 1 . 1 106 106 ARG HG2 H 1 1.778 0.000 . . . . . . A 103 ARG HG2 . 34526 1 1190 . 1 . 1 106 106 ARG HG3 H 1 1.778 0.000 . . . . . . A 103 ARG HG3 . 34526 1 1191 . 1 . 1 106 106 ARG HD2 H 1 3.290 0.000 . . . . . . A 103 ARG HD2 . 34526 1 1192 . 1 . 1 106 106 ARG HD3 H 1 3.366 0.000 . . . . . . A 103 ARG HD3 . 34526 1 1193 . 1 . 1 106 106 ARG CA C 13 59.031 0.000 . . . . . . A 103 ARG CA . 34526 1 1194 . 1 . 1 106 106 ARG CB C 13 29.697 0.009 . . . . . . A 103 ARG CB . 34526 1 1195 . 1 . 1 106 106 ARG CG C 13 26.925 0.000 . . . . . . A 103 ARG CG . 34526 1 1196 . 1 . 1 106 106 ARG CD C 13 43.044 0.006 . . . . . . A 103 ARG CD . 34526 1 1197 . 1 . 1 106 106 ARG N N 15 120.906 0.000 . . . . . . A 103 ARG N . 34526 1 1198 . 1 . 1 107 107 LYS H H 1 7.986 0.000 . . . . . . A 104 LYS H . 34526 1 1199 . 1 . 1 107 107 LYS HA H 1 4.226 0.000 . . . . . . A 104 LYS HA . 34526 1 1200 . 1 . 1 107 107 LYS HB2 H 1 1.989 0.000 . . . . . . A 104 LYS HB2 . 34526 1 1201 . 1 . 1 107 107 LYS HB3 H 1 2.057 0.000 . . . . . . A 104 LYS HB3 . 34526 1 1202 . 1 . 1 107 107 LYS HG2 H 1 1.539 0.000 . . . . . . A 104 LYS HG2 . 34526 1 1203 . 1 . 1 107 107 LYS HG3 H 1 1.718 0.000 . . . . . . A 104 LYS HG3 . 34526 1 1204 . 1 . 1 107 107 LYS HD2 H 1 1.671 0.000 . . . . . . A 104 LYS HD2 . 34526 1 1205 . 1 . 1 107 107 LYS HD3 H 1 1.828 0.000 . . . . . . A 104 LYS HD3 . 34526 1 1206 . 1 . 1 107 107 LYS HE2 H 1 2.953 0.000 . . . . . . A 104 LYS HE2 . 34526 1 1207 . 1 . 1 107 107 LYS HE3 H 1 2.953 0.000 . . . . . . A 104 LYS HE3 . 34526 1 1208 . 1 . 1 107 107 LYS CA C 13 60.131 0.000 . . . . . . A 104 LYS CA . 34526 1 1209 . 1 . 1 107 107 LYS CB C 13 32.392 0.004 . . . . . . A 104 LYS CB . 34526 1 1210 . 1 . 1 107 107 LYS CG C 13 25.945 0.003 . . . . . . A 104 LYS CG . 34526 1 1211 . 1 . 1 107 107 LYS CD C 13 29.048 0.011 . . . . . . A 104 LYS CD . 34526 1 1212 . 1 . 1 107 107 LYS CE C 13 41.744 0.000 . . . . . . A 104 LYS CE . 34526 1 1213 . 1 . 1 107 107 LYS N N 15 119.717 0.000 . . . . . . A 104 LYS N . 34526 1 1214 . 1 . 1 108 108 LEU H H 1 9.063 0.000 . . . . . . A 105 LEU H . 34526 1 1215 . 1 . 1 108 108 LEU HA H 1 4.089 0.000 . . . . . . A 105 LEU HA . 34526 1 1216 . 1 . 1 108 108 LEU HB2 H 1 2.334 0.000 . . . . . . A 105 LEU HB2 . 34526 1 1217 . 1 . 1 108 108 LEU HB3 H 1 1.571 0.000 . . . . . . A 105 LEU HB3 . 34526 1 1218 . 1 . 1 108 108 LEU HG H 1 1.961 0.000 . . . . . . A 105 LEU HG . 34526 1 1219 . 1 . 1 108 108 LEU HD11 H 1 0.768 0.000 . . . . . . A 105 LEU HD11 . 34526 1 1220 . 1 . 1 108 108 LEU HD12 H 1 0.768 0.000 . . . . . . A 105 LEU HD12 . 34526 1 1221 . 1 . 1 108 108 LEU HD13 H 1 0.768 0.000 . . . . . . A 105 LEU HD13 . 34526 1 1222 . 1 . 1 108 108 LEU HD21 H 1 0.783 0.000 . . . . . . A 105 LEU HD21 . 34526 1 1223 . 1 . 1 108 108 LEU HD22 H 1 0.783 0.000 . . . . . . A 105 LEU HD22 . 34526 1 1224 . 1 . 1 108 108 LEU HD23 H 1 0.783 0.000 . . . . . . A 105 LEU HD23 . 34526 1 1225 . 1 . 1 108 108 LEU CA C 13 58.393 0.000 . . . . . . A 105 LEU CA . 34526 1 1226 . 1 . 1 108 108 LEU CB C 13 42.346 0.010 . . . . . . A 105 LEU CB . 34526 1 1227 . 1 . 1 108 108 LEU CG C 13 26.913 0.000 . . . . . . A 105 LEU CG . 34526 1 1228 . 1 . 1 108 108 LEU CD1 C 13 25.872 0.000 . . . . . . A 105 LEU CD1 . 34526 1 1229 . 1 . 1 108 108 LEU CD2 C 13 23.870 0.000 . . . . . . A 105 LEU CD2 . 34526 1 1230 . 1 . 1 108 108 LEU N N 15 118.491 0.000 . . . . . . A 105 LEU N . 34526 1 1231 . 1 . 1 109 109 SER H H 1 8.158 0.000 . . . . . . A 106 SER H . 34526 1 1232 . 1 . 1 109 109 SER HA H 1 3.846 0.000 . . . . . . A 106 SER HA . 34526 1 1233 . 1 . 1 109 109 SER HB2 H 1 3.719 0.000 . . . . . . A 106 SER HB2 . 34526 1 1234 . 1 . 1 109 109 SER HB3 H 1 3.835 0.000 . . . . . . A 106 SER HB3 . 34526 1 1235 . 1 . 1 109 109 SER CA C 13 61.425 0.000 . . . . . . A 106 SER CA . 34526 1 1236 . 1 . 1 109 109 SER CB C 13 62.612 0.001 . . . . . . A 106 SER CB . 34526 1 1237 . 1 . 1 109 109 SER N N 15 112.497 0.000 . . . . . . A 106 SER N . 34526 1 1238 . 1 . 1 110 110 ASP H H 1 8.490 0.000 . . . . . . A 107 ASP H . 34526 1 1239 . 1 . 1 110 110 ASP HA H 1 4.470 0.000 . . . . . . A 107 ASP HA . 34526 1 1240 . 1 . 1 110 110 ASP HB2 H 1 2.975 0.000 . . . . . . A 107 ASP HB2 . 34526 1 1241 . 1 . 1 110 110 ASP HB3 H 1 2.734 0.000 . . . . . . A 107 ASP HB3 . 34526 1 1242 . 1 . 1 110 110 ASP CA C 13 57.780 0.000 . . . . . . A 107 ASP CA . 34526 1 1243 . 1 . 1 110 110 ASP CB C 13 40.502 0.027 . . . . . . A 107 ASP CB . 34526 1 1244 . 1 . 1 110 110 ASP N N 15 121.983 0.000 . . . . . . A 107 ASP N . 34526 1 1245 . 1 . 1 111 111 VAL H H 1 8.757 0.000 . . . . . . A 108 VAL H . 34526 1 1246 . 1 . 1 111 111 VAL HA H 1 4.037 0.000 . . . . . . A 108 VAL HA . 34526 1 1247 . 1 . 1 111 111 VAL HB H 1 2.358 0.000 . . . . . . A 108 VAL HB . 34526 1 1248 . 1 . 1 111 111 VAL HG11 H 1 1.101 0.000 . . . . . . A 108 VAL HG11 . 34526 1 1249 . 1 . 1 111 111 VAL HG12 H 1 1.101 0.000 . . . . . . A 108 VAL HG12 . 34526 1 1250 . 1 . 1 111 111 VAL HG13 H 1 1.101 0.000 . . . . . . A 108 VAL HG13 . 34526 1 1251 . 1 . 1 111 111 VAL HG21 H 1 1.241 0.000 . . . . . . A 108 VAL HG21 . 34526 1 1252 . 1 . 1 111 111 VAL HG22 H 1 1.241 0.000 . . . . . . A 108 VAL HG22 . 34526 1 1253 . 1 . 1 111 111 VAL HG23 H 1 1.241 0.000 . . . . . . A 108 VAL HG23 . 34526 1 1254 . 1 . 1 111 111 VAL CA C 13 65.588 0.000 . . . . . . A 108 VAL CA . 34526 1 1255 . 1 . 1 111 111 VAL CB C 13 31.349 0.000 . . . . . . A 108 VAL CB . 34526 1 1256 . 1 . 1 111 111 VAL CG1 C 13 22.176 0.000 . . . . . . A 108 VAL CG1 . 34526 1 1257 . 1 . 1 111 111 VAL CG2 C 13 23.140 0.000 . . . . . . A 108 VAL CG2 . 34526 1 1258 . 1 . 1 111 111 VAL N N 15 119.445 0.000 . . . . . . A 108 VAL N . 34526 1 1259 . 1 . 1 112 112 TRP H H 1 8.766 0.000 . . . . . . A 109 TRP H . 34526 1 1260 . 1 . 1 112 112 TRP HA H 1 4.329 0.000 . . . . . . A 109 TRP HA . 34526 1 1261 . 1 . 1 112 112 TRP HB2 H 1 3.352 0.000 . . . . . . A 109 TRP HB2 . 34526 1 1262 . 1 . 1 112 112 TRP HB3 H 1 3.429 0.000 . . . . . . A 109 TRP HB3 . 34526 1 1263 . 1 . 1 112 112 TRP HD1 H 1 6.960 0.000 . . . . . . A 109 TRP HD1 . 34526 1 1264 . 1 . 1 112 112 TRP HE1 H 1 10.041 0.000 . . . . . . A 109 TRP HE1 . 34526 1 1265 . 1 . 1 112 112 TRP HE3 H 1 7.038 0.000 . . . . . . A 109 TRP HE3 . 34526 1 1266 . 1 . 1 112 112 TRP HZ2 H 1 7.388 0.000 . . . . . . A 109 TRP HZ2 . 34526 1 1267 . 1 . 1 112 112 TRP HZ3 H 1 6.720 0.000 . . . . . . A 109 TRP HZ3 . 34526 1 1268 . 1 . 1 112 112 TRP HH2 H 1 7.028 0.000 . . . . . . A 109 TRP HH2 . 34526 1 1269 . 1 . 1 112 112 TRP CA C 13 60.312 0.000 . . . . . . A 109 TRP CA . 34526 1 1270 . 1 . 1 112 112 TRP CB C 13 29.458 0.008 . . . . . . A 109 TRP CB . 34526 1 1271 . 1 . 1 112 112 TRP CD1 C 13 126.527 0.000 . . . . . . A 109 TRP CD1 . 34526 1 1272 . 1 . 1 112 112 TRP CE3 C 13 120.692 0.000 . . . . . . A 109 TRP CE3 . 34526 1 1273 . 1 . 1 112 112 TRP CZ2 C 13 114.261 0.000 . . . . . . A 109 TRP CZ2 . 34526 1 1274 . 1 . 1 112 112 TRP CZ3 C 13 121.996 0.000 . . . . . . A 109 TRP CZ3 . 34526 1 1275 . 1 . 1 112 112 TRP CH2 C 13 124.764 0.000 . . . . . . A 109 TRP CH2 . 34526 1 1276 . 1 . 1 112 112 TRP N N 15 122.034 0.000 . . . . . . A 109 TRP N . 34526 1 1277 . 1 . 1 112 112 TRP NE1 N 15 127.876 0.000 . . . . . . A 109 TRP NE1 . 34526 1 1278 . 1 . 1 113 113 LYS H H 1 8.056 0.000 . . . . . . A 110 LYS H . 34526 1 1279 . 1 . 1 113 113 LYS HA H 1 3.687 0.000 . . . . . . A 110 LYS HA . 34526 1 1280 . 1 . 1 113 113 LYS HB2 H 1 2.020 0.000 . . . . . . A 110 LYS HB2 . 34526 1 1281 . 1 . 1 113 113 LYS HB3 H 1 1.954 0.000 . . . . . . A 110 LYS HB3 . 34526 1 1282 . 1 . 1 113 113 LYS HG2 H 1 1.428 0.000 . . . . . . A 110 LYS HG2 . 34526 1 1283 . 1 . 1 113 113 LYS HG3 H 1 1.656 0.000 . . . . . . A 110 LYS HG3 . 34526 1 1284 . 1 . 1 113 113 LYS HD2 H 1 1.717 0.000 . . . . . . A 110 LYS HD2 . 34526 1 1285 . 1 . 1 113 113 LYS HD3 H 1 1.717 0.000 . . . . . . A 110 LYS HD3 . 34526 1 1286 . 1 . 1 113 113 LYS HE2 H 1 2.962 0.000 . . . . . . A 110 LYS HE2 . 34526 1 1287 . 1 . 1 113 113 LYS HE3 H 1 2.962 0.000 . . . . . . A 110 LYS HE3 . 34526 1 1288 . 1 . 1 113 113 LYS CA C 13 60.389 0.000 . . . . . . A 110 LYS CA . 34526 1 1289 . 1 . 1 113 113 LYS CB C 13 32.143 0.005 . . . . . . A 110 LYS CB . 34526 1 1290 . 1 . 1 113 113 LYS CG C 13 25.173 0.005 . . . . . . A 110 LYS CG . 34526 1 1291 . 1 . 1 113 113 LYS CD C 13 29.451 0.000 . . . . . . A 110 LYS CD . 34526 1 1292 . 1 . 1 113 113 LYS CE C 13 41.984 0.000 . . . . . . A 110 LYS CE . 34526 1 1293 . 1 . 1 113 113 LYS N N 15 119.510 0.000 . . . . . . A 110 LYS N . 34526 1 1294 . 1 . 1 114 114 GLU H H 1 7.110 0.000 . . . . . . A 111 GLU H . 34526 1 1295 . 1 . 1 114 114 GLU HA H 1 4.063 0.000 . . . . . . A 111 GLU HA . 34526 1 1296 . 1 . 1 114 114 GLU HB2 H 1 2.104 0.000 . . . . . . A 111 GLU HB2 . 34526 1 1297 . 1 . 1 114 114 GLU HB3 H 1 2.104 0.000 . . . . . . A 111 GLU HB3 . 34526 1 1298 . 1 . 1 114 114 GLU HG2 H 1 2.354 0.000 . . . . . . A 111 GLU HG2 . 34526 1 1299 . 1 . 1 114 114 GLU HG3 H 1 2.354 0.000 . . . . . . A 111 GLU HG3 . 34526 1 1300 . 1 . 1 114 114 GLU CA C 13 58.704 0.000 . . . . . . A 111 GLU CA . 34526 1 1301 . 1 . 1 114 114 GLU CB C 13 30.261 0.000 . . . . . . A 111 GLU CB . 34526 1 1302 . 1 . 1 114 114 GLU CG C 13 36.136 0.005 . . . . . . A 111 GLU CG . 34526 1 1303 . 1 . 1 114 114 GLU N N 15 116.839 0.000 . . . . . . A 111 GLU N . 34526 1 1304 . 1 . 1 115 115 LEU H H 1 8.460 0.000 . . . . . . A 112 LEU H . 34526 1 1305 . 1 . 1 115 115 LEU HA H 1 3.780 0.000 . . . . . . A 112 LEU HA . 34526 1 1306 . 1 . 1 115 115 LEU HB2 H 1 1.323 0.000 . . . . . . A 112 LEU HB2 . 34526 1 1307 . 1 . 1 115 115 LEU HB3 H 1 1.427 0.000 . . . . . . A 112 LEU HB3 . 34526 1 1308 . 1 . 1 115 115 LEU HG H 1 1.262 0.000 . . . . . . A 112 LEU HG . 34526 1 1309 . 1 . 1 115 115 LEU HD11 H 1 0.590 0.000 . . . . . . A 112 LEU HD11 . 34526 1 1310 . 1 . 1 115 115 LEU HD12 H 1 0.590 0.000 . . . . . . A 112 LEU HD12 . 34526 1 1311 . 1 . 1 115 115 LEU HD13 H 1 0.590 0.000 . . . . . . A 112 LEU HD13 . 34526 1 1312 . 1 . 1 115 115 LEU HD21 H 1 0.698 0.000 . . . . . . A 112 LEU HD21 . 34526 1 1313 . 1 . 1 115 115 LEU HD22 H 1 0.698 0.000 . . . . . . A 112 LEU HD22 . 34526 1 1314 . 1 . 1 115 115 LEU HD23 H 1 0.698 0.000 . . . . . . A 112 LEU HD23 . 34526 1 1315 . 1 . 1 115 115 LEU CA C 13 57.796 0.000 . . . . . . A 112 LEU CA . 34526 1 1316 . 1 . 1 115 115 LEU CB C 13 42.291 0.013 . . . . . . A 112 LEU CB . 34526 1 1317 . 1 . 1 115 115 LEU CG C 13 26.826 0.000 . . . . . . A 112 LEU CG . 34526 1 1318 . 1 . 1 115 115 LEU CD1 C 13 25.785 0.000 . . . . . . A 112 LEU CD1 . 34526 1 1319 . 1 . 1 115 115 LEU CD2 C 13 24.636 0.000 . . . . . . A 112 LEU CD2 . 34526 1 1320 . 1 . 1 115 115 LEU N N 15 119.289 0.000 . . . . . . A 112 LEU N . 34526 1 1321 . 1 . 1 116 116 SER H H 1 8.530 0.000 . . . . . . A 113 SER H . 34526 1 1322 . 1 . 1 116 116 SER HA H 1 3.286 0.000 . . . . . . A 113 SER HA . 34526 1 1323 . 1 . 1 116 116 SER HB2 H 1 2.609 0.000 . . . . . . A 113 SER HB2 . 34526 1 1324 . 1 . 1 116 116 SER HB3 H 1 3.018 0.000 . . . . . . A 113 SER HB3 . 34526 1 1325 . 1 . 1 116 116 SER CA C 13 61.583 0.000 . . . . . . A 113 SER CA . 34526 1 1326 . 1 . 1 116 116 SER CB C 13 61.759 0.001 . . . . . . A 113 SER CB . 34526 1 1327 . 1 . 1 116 116 SER N N 15 113.169 0.000 . . . . . . A 113 SER N . 34526 1 1328 . 1 . 1 117 117 LEU H H 1 6.882 0.000 . . . . . . A 114 LEU H . 34526 1 1329 . 1 . 1 117 117 LEU HA H 1 4.083 0.000 . . . . . . A 114 LEU HA . 34526 1 1330 . 1 . 1 117 117 LEU HB2 H 1 1.672 0.000 . . . . . . A 114 LEU HB2 . 34526 1 1331 . 1 . 1 117 117 LEU HB3 H 1 1.672 0.000 . . . . . . A 114 LEU HB3 . 34526 1 1332 . 1 . 1 117 117 LEU HD11 H 1 0.899 0.000 . . . . . . A 114 LEU HD11 . 34526 1 1333 . 1 . 1 117 117 LEU HD12 H 1 0.899 0.000 . . . . . . A 114 LEU HD12 . 34526 1 1334 . 1 . 1 117 117 LEU HD13 H 1 0.899 0.000 . . . . . . A 114 LEU HD13 . 34526 1 1335 . 1 . 1 117 117 LEU HD21 H 1 0.870 0.000 . . . . . . A 114 LEU HD21 . 34526 1 1336 . 1 . 1 117 117 LEU HD22 H 1 0.870 0.000 . . . . . . A 114 LEU HD22 . 34526 1 1337 . 1 . 1 117 117 LEU HD23 H 1 0.870 0.000 . . . . . . A 114 LEU HD23 . 34526 1 1338 . 1 . 1 117 117 LEU CA C 13 57.783 0.000 . . . . . . A 114 LEU CA . 34526 1 1339 . 1 . 1 117 117 LEU CB C 13 41.798 0.000 . . . . . . A 114 LEU CB . 34526 1 1340 . 1 . 1 117 117 LEU CD1 C 13 24.416 0.000 . . . . . . A 114 LEU CD1 . 34526 1 1341 . 1 . 1 117 117 LEU CD2 C 13 24.129 0.000 . . . . . . A 114 LEU CD2 . 34526 1 1342 . 1 . 1 117 117 LEU N N 15 121.391 0.000 . . . . . . A 114 LEU N . 34526 1 1343 . 1 . 1 118 118 LEU H H 1 7.354 0.000 . . . . . . A 115 LEU H . 34526 1 1344 . 1 . 1 118 118 LEU HA H 1 4.111 0.000 . . . . . . A 115 LEU HA . 34526 1 1345 . 1 . 1 118 118 LEU HB2 H 1 1.863 0.000 . . . . . . A 115 LEU HB2 . 34526 1 1346 . 1 . 1 118 118 LEU HB3 H 1 1.343 0.000 . . . . . . A 115 LEU HB3 . 34526 1 1347 . 1 . 1 118 118 LEU HG H 1 1.794 0.000 . . . . . . A 115 LEU HG . 34526 1 1348 . 1 . 1 118 118 LEU HD11 H 1 0.738 0.000 . . . . . . A 115 LEU HD11 . 34526 1 1349 . 1 . 1 118 118 LEU HD12 H 1 0.738 0.000 . . . . . . A 115 LEU HD12 . 34526 1 1350 . 1 . 1 118 118 LEU HD13 H 1 0.738 0.000 . . . . . . A 115 LEU HD13 . 34526 1 1351 . 1 . 1 118 118 LEU HD21 H 1 0.821 0.000 . . . . . . A 115 LEU HD21 . 34526 1 1352 . 1 . 1 118 118 LEU HD22 H 1 0.821 0.000 . . . . . . A 115 LEU HD22 . 34526 1 1353 . 1 . 1 118 118 LEU HD23 H 1 0.821 0.000 . . . . . . A 115 LEU HD23 . 34526 1 1354 . 1 . 1 118 118 LEU CA C 13 57.628 0.000 . . . . . . A 115 LEU CA . 34526 1 1355 . 1 . 1 118 118 LEU CB C 13 43.095 0.004 . . . . . . A 115 LEU CB . 34526 1 1356 . 1 . 1 118 118 LEU CG C 13 26.787 0.000 . . . . . . A 115 LEU CG . 34526 1 1357 . 1 . 1 118 118 LEU CD1 C 13 26.748 0.000 . . . . . . A 115 LEU CD1 . 34526 1 1358 . 1 . 1 118 118 LEU CD2 C 13 22.972 0.000 . . . . . . A 115 LEU CD2 . 34526 1 1359 . 1 . 1 118 118 LEU N N 15 118.280 0.000 . . . . . . A 115 LEU N . 34526 1 1360 . 1 . 1 119 119 LEU H H 1 8.442 0.000 . . . . . . A 116 LEU H . 34526 1 1361 . 1 . 1 119 119 LEU HA H 1 3.896 0.000 . . . . . . A 116 LEU HA . 34526 1 1362 . 1 . 1 119 119 LEU HB2 H 1 1.871 0.000 . . . . . . A 116 LEU HB2 . 34526 1 1363 . 1 . 1 119 119 LEU HB3 H 1 1.373 0.000 . . . . . . A 116 LEU HB3 . 34526 1 1364 . 1 . 1 119 119 LEU HG H 1 1.681 0.000 . . . . . . A 116 LEU HG . 34526 1 1365 . 1 . 1 119 119 LEU HD11 H 1 0.684 0.000 . . . . . . A 116 LEU HD11 . 34526 1 1366 . 1 . 1 119 119 LEU HD12 H 1 0.684 0.000 . . . . . . A 116 LEU HD12 . 34526 1 1367 . 1 . 1 119 119 LEU HD13 H 1 0.684 0.000 . . . . . . A 116 LEU HD13 . 34526 1 1368 . 1 . 1 119 119 LEU HD21 H 1 0.771 0.000 . . . . . . A 116 LEU HD21 . 34526 1 1369 . 1 . 1 119 119 LEU HD22 H 1 0.771 0.000 . . . . . . A 116 LEU HD22 . 34526 1 1370 . 1 . 1 119 119 LEU HD23 H 1 0.771 0.000 . . . . . . A 116 LEU HD23 . 34526 1 1371 . 1 . 1 119 119 LEU CA C 13 57.525 0.000 . . . . . . A 116 LEU CA . 34526 1 1372 . 1 . 1 119 119 LEU CB C 13 41.535 0.021 . . . . . . A 116 LEU CB . 34526 1 1373 . 1 . 1 119 119 LEU CG C 13 26.752 0.000 . . . . . . A 116 LEU CG . 34526 1 1374 . 1 . 1 119 119 LEU CD1 C 13 26.290 0.000 . . . . . . A 116 LEU CD1 . 34526 1 1375 . 1 . 1 119 119 LEU CD2 C 13 23.509 0.000 . . . . . . A 116 LEU CD2 . 34526 1 1376 . 1 . 1 119 119 LEU N N 15 118.819 0.000 . . . . . . A 116 LEU N . 34526 1 1377 . 1 . 1 120 120 GLN H H 1 8.004 0.000 . . . . . . A 117 GLN H . 34526 1 1378 . 1 . 1 120 120 GLN HA H 1 4.352 0.000 . . . . . . A 117 GLN HA . 34526 1 1379 . 1 . 1 120 120 GLN HB2 H 1 2.223 0.000 . . . . . . A 117 GLN HB2 . 34526 1 1380 . 1 . 1 120 120 GLN HB3 H 1 2.223 0.000 . . . . . . A 117 GLN HB3 . 34526 1 1381 . 1 . 1 120 120 GLN HG2 H 1 2.306 0.000 . . . . . . A 117 GLN HG2 . 34526 1 1382 . 1 . 1 120 120 GLN HG3 H 1 2.491 0.000 . . . . . . A 117 GLN HG3 . 34526 1 1383 . 1 . 1 120 120 GLN HE21 H 1 6.836 0.000 . . . . . . A 117 GLN HE21 . 34526 1 1384 . 1 . 1 120 120 GLN HE22 H 1 7.312 0.000 . . . . . . A 117 GLN HE22 . 34526 1 1385 . 1 . 1 120 120 GLN CA C 13 58.593 0.000 . . . . . . A 117 GLN CA . 34526 1 1386 . 1 . 1 120 120 GLN CB C 13 28.741 0.000 . . . . . . A 117 GLN CB . 34526 1 1387 . 1 . 1 120 120 GLN CG C 13 34.178 0.024 . . . . . . A 117 GLN CG . 34526 1 1388 . 1 . 1 120 120 GLN N N 15 119.043 0.000 . . . . . . A 117 GLN N . 34526 1 1389 . 1 . 1 120 120 GLN NE2 N 15 111.287 0.000 . . . . . . A 117 GLN NE2 . 34526 1 1390 . 1 . 1 121 121 VAL H H 1 8.149 0.000 . . . . . . A 118 VAL H . 34526 1 1391 . 1 . 1 121 121 VAL HA H 1 3.859 0.000 . . . . . . A 118 VAL HA . 34526 1 1392 . 1 . 1 121 121 VAL HB H 1 2.121 0.000 . . . . . . A 118 VAL HB . 34526 1 1393 . 1 . 1 121 121 VAL HG11 H 1 0.996 0.000 . . . . . . A 118 VAL HG11 . 34526 1 1394 . 1 . 1 121 121 VAL HG12 H 1 0.996 0.000 . . . . . . A 118 VAL HG12 . 34526 1 1395 . 1 . 1 121 121 VAL HG13 H 1 0.996 0.000 . . . . . . A 118 VAL HG13 . 34526 1 1396 . 1 . 1 121 121 VAL HG21 H 1 1.090 0.000 . . . . . . A 118 VAL HG21 . 34526 1 1397 . 1 . 1 121 121 VAL HG22 H 1 1.090 0.000 . . . . . . A 118 VAL HG22 . 34526 1 1398 . 1 . 1 121 121 VAL HG23 H 1 1.090 0.000 . . . . . . A 118 VAL HG23 . 34526 1 1399 . 1 . 1 121 121 VAL CA C 13 65.291 0.000 . . . . . . A 118 VAL CA . 34526 1 1400 . 1 . 1 121 121 VAL CB C 13 32.812 0.000 . . . . . . A 118 VAL CB . 34526 1 1401 . 1 . 1 121 121 VAL CG1 C 13 21.147 0.000 . . . . . . A 118 VAL CG1 . 34526 1 1402 . 1 . 1 121 121 VAL CG2 C 13 22.085 0.000 . . . . . . A 118 VAL CG2 . 34526 1 1403 . 1 . 1 121 121 VAL N N 15 117.858 0.000 . . . . . . A 118 VAL N . 34526 1 1404 . 1 . 1 122 122 GLU H H 1 8.660 0.000 . . . . . . A 119 GLU H . 34526 1 1405 . 1 . 1 122 122 GLU HA H 1 4.318 0.000 . . . . . . A 119 GLU HA . 34526 1 1406 . 1 . 1 122 122 GLU HB2 H 1 2.066 0.000 . . . . . . A 119 GLU HB2 . 34526 1 1407 . 1 . 1 122 122 GLU HB3 H 1 2.182 0.000 . . . . . . A 119 GLU HB3 . 34526 1 1408 . 1 . 1 122 122 GLU HG2 H 1 2.479 0.000 . . . . . . A 119 GLU HG2 . 34526 1 1409 . 1 . 1 122 122 GLU HG3 H 1 2.232 0.000 . . . . . . A 119 GLU HG3 . 34526 1 1410 . 1 . 1 122 122 GLU CA C 13 58.251 0.000 . . . . . . A 119 GLU CA . 34526 1 1411 . 1 . 1 122 122 GLU CB C 13 30.491 0.005 . . . . . . A 119 GLU CB . 34526 1 1412 . 1 . 1 122 122 GLU CG C 13 37.074 0.027 . . . . . . A 119 GLU CG . 34526 1 1413 . 1 . 1 122 122 GLU N N 15 117.413 0.000 . . . . . . A 119 GLU N . 34526 1 1414 . 1 . 1 123 123 GLN HA H 1 4.498 0.000 . . . . . . A 120 GLN HA . 34526 1 1415 . 1 . 1 123 123 GLN HB2 H 1 2.452 0.000 . . . . . . A 120 GLN HB2 . 34526 1 1416 . 1 . 1 123 123 GLN HB3 H 1 2.089 0.000 . . . . . . A 120 GLN HB3 . 34526 1 1417 . 1 . 1 123 123 GLN HG2 H 1 2.187 0.000 . . . . . . A 120 GLN HG2 . 34526 1 1418 . 1 . 1 123 123 GLN HG3 H 1 2.238 0.000 . . . . . . A 120 GLN HG3 . 34526 1 1419 . 1 . 1 123 123 GLN HE21 H 1 7.364 0.000 . . . . . . A 120 GLN HE21 . 34526 1 1420 . 1 . 1 123 123 GLN HE22 H 1 6.794 0.000 . . . . . . A 120 GLN HE22 . 34526 1 1421 . 1 . 1 123 123 GLN CA C 13 54.711 0.000 . . . . . . A 120 GLN CA . 34526 1 1422 . 1 . 1 123 123 GLN CB C 13 28.626 0.044 . . . . . . A 120 GLN CB . 34526 1 1423 . 1 . 1 123 123 GLN CG C 13 33.400 0.009 . . . . . . A 120 GLN CG . 34526 1 1424 . 1 . 1 123 123 GLN NE2 N 15 111.099 0.001 . . . . . . A 120 GLN NE2 . 34526 1 1425 . 1 . 1 124 124 ARG H H 1 7.552 0.000 . . . . . . A 121 ARG H . 34526 1 1426 . 1 . 1 124 124 ARG HA H 1 4.179 0.000 . . . . . . A 121 ARG HA . 34526 1 1427 . 1 . 1 124 124 ARG HG2 H 1 1.566 0.000 . . . . . . A 121 ARG HG2 . 34526 1 1428 . 1 . 1 124 124 ARG HG3 H 1 1.566 0.000 . . . . . . A 121 ARG HG3 . 34526 1 1429 . 1 . 1 124 124 ARG HD2 H 1 3.164 0.000 . . . . . . A 121 ARG HD2 . 34526 1 1430 . 1 . 1 124 124 ARG HD3 H 1 3.212 0.000 . . . . . . A 121 ARG HD3 . 34526 1 1431 . 1 . 1 124 124 ARG CA C 13 56.516 0.000 . . . . . . A 121 ARG CA . 34526 1 1432 . 1 . 1 124 124 ARG CG C 13 27.352 0.000 . . . . . . A 121 ARG CG . 34526 1 1433 . 1 . 1 124 124 ARG CD C 13 43.123 0.000 . . . . . . A 121 ARG CD . 34526 1 1434 . 1 . 1 124 124 ARG N N 15 115.305 0.000 . . . . . . A 121 ARG N . 34526 1 1435 . 1 . 1 125 125 MET H H 1 7.875 0.000 . . . . . . A 122 MET H . 34526 1 1436 . 1 . 1 125 125 MET HA H 1 4.703 0.000 . . . . . . A 122 MET HA . 34526 1 1437 . 1 . 1 125 125 MET HB2 H 1 1.688 0.000 . . . . . . A 122 MET HB2 . 34526 1 1438 . 1 . 1 125 125 MET HB3 H 1 1.863 0.000 . . . . . . A 122 MET HB3 . 34526 1 1439 . 1 . 1 125 125 MET HG2 H 1 2.556 0.000 . . . . . . A 122 MET HG2 . 34526 1 1440 . 1 . 1 125 125 MET HG3 H 1 2.556 0.000 . . . . . . A 122 MET HG3 . 34526 1 1441 . 1 . 1 125 125 MET HE1 H 1 2.087 0.000 . . . . . . A 122 MET HE1 . 34526 1 1442 . 1 . 1 125 125 MET HE2 H 1 2.087 0.000 . . . . . . A 122 MET HE2 . 34526 1 1443 . 1 . 1 125 125 MET HE3 H 1 2.087 0.000 . . . . . . A 122 MET HE3 . 34526 1 1444 . 1 . 1 125 125 MET CA C 13 53.388 0.000 . . . . . . A 122 MET CA . 34526 1 1445 . 1 . 1 125 125 MET CB C 13 34.089 0.004 . . . . . . A 122 MET CB . 34526 1 1446 . 1 . 1 125 125 MET CG C 13 31.939 0.000 . . . . . . A 122 MET CG . 34526 1 1447 . 1 . 1 125 125 MET CE C 13 17.661 0.000 . . . . . . A 122 MET CE . 34526 1 1448 . 1 . 1 125 125 MET N N 15 120.221 0.000 . . . . . . A 122 MET N . 34526 1 1449 . 1 . 1 126 126 PRO HA H 1 4.505 0.000 . . . . . . A 123 PRO HA . 34526 1 1450 . 1 . 1 126 126 PRO HB2 H 1 1.955 0.000 . . . . . . A 123 PRO HB2 . 34526 1 1451 . 1 . 1 126 126 PRO HB3 H 1 2.223 0.000 . . . . . . A 123 PRO HB3 . 34526 1 1452 . 1 . 1 126 126 PRO HG2 H 1 2.026 0.000 . . . . . . A 123 PRO HG2 . 34526 1 1453 . 1 . 1 126 126 PRO HG3 H 1 2.071 0.000 . . . . . . A 123 PRO HG3 . 34526 1 1454 . 1 . 1 126 126 PRO HD2 H 1 3.902 0.000 . . . . . . A 123 PRO HD2 . 34526 1 1455 . 1 . 1 126 126 PRO HD3 H 1 3.704 0.000 . . . . . . A 123 PRO HD3 . 34526 1 1456 . 1 . 1 126 126 PRO CA C 13 62.806 0.000 . . . . . . A 123 PRO CA . 34526 1 1457 . 1 . 1 126 126 PRO CB C 13 31.514 0.003 . . . . . . A 123 PRO CB . 34526 1 1458 . 1 . 1 126 126 PRO CG C 13 27.603 0.004 . . . . . . A 123 PRO CG . 34526 1 1459 . 1 . 1 126 126 PRO CD C 13 50.746 0.003 . . . . . . A 123 PRO CD . 34526 1 1460 . 1 . 1 127 127 VAL H H 1 8.165 0.000 . . . . . . A 124 VAL H . 34526 1 1461 . 1 . 1 127 127 VAL HA H 1 4.118 0.000 . . . . . . A 124 VAL HA . 34526 1 1462 . 1 . 1 127 127 VAL HB H 1 2.004 0.000 . . . . . . A 124 VAL HB . 34526 1 1463 . 1 . 1 127 127 VAL HG11 H 1 0.907 0.000 . . . . . . A 124 VAL HG11 . 34526 1 1464 . 1 . 1 127 127 VAL HG12 H 1 0.907 0.000 . . . . . . A 124 VAL HG12 . 34526 1 1465 . 1 . 1 127 127 VAL HG13 H 1 0.907 0.000 . . . . . . A 124 VAL HG13 . 34526 1 1466 . 1 . 1 127 127 VAL HG21 H 1 0.892 0.000 . . . . . . A 124 VAL HG21 . 34526 1 1467 . 1 . 1 127 127 VAL HG22 H 1 0.892 0.000 . . . . . . A 124 VAL HG22 . 34526 1 1468 . 1 . 1 127 127 VAL HG23 H 1 0.892 0.000 . . . . . . A 124 VAL HG23 . 34526 1 1469 . 1 . 1 127 127 VAL CA C 13 61.700 0.000 . . . . . . A 124 VAL CA . 34526 1 1470 . 1 . 1 127 127 VAL CB C 13 33.338 0.000 . . . . . . A 124 VAL CB . 34526 1 1471 . 1 . 1 127 127 VAL CG1 C 13 21.496 0.000 . . . . . . A 124 VAL CG1 . 34526 1 1472 . 1 . 1 127 127 VAL CG2 C 13 20.868 0.000 . . . . . . A 124 VAL CG2 . 34526 1 1473 . 1 . 1 127 127 VAL N N 15 120.185 0.000 . . . . . . A 124 VAL N . 34526 1 1474 . 1 . 1 128 128 SER H H 1 8.527 0.000 . . . . . . A 125 SER H . 34526 1 1475 . 1 . 1 128 128 SER HA H 1 4.808 0.000 . . . . . . A 125 SER HA . 34526 1 1476 . 1 . 1 128 128 SER HB2 H 1 3.908 0.000 . . . . . . A 125 SER HB2 . 34526 1 1477 . 1 . 1 128 128 SER HB3 H 1 3.908 0.000 . . . . . . A 125 SER HB3 . 34526 1 1478 . 1 . 1 128 128 SER CA C 13 56.127 0.000 . . . . . . A 125 SER CA . 34526 1 1479 . 1 . 1 128 128 SER CB C 13 63.578 0.000 . . . . . . A 125 SER CB . 34526 1 1480 . 1 . 1 128 128 SER N N 15 121.574 0.000 . . . . . . A 125 SER N . 34526 1 1481 . 1 . 1 129 129 PRO HA H 1 4.506 0.000 . . . . . . A 126 PRO HA . 34526 1 1482 . 1 . 1 129 129 PRO HB2 H 1 2.282 0.000 . . . . . . A 126 PRO HB2 . 34526 1 1483 . 1 . 1 129 129 PRO HB3 H 1 1.957 0.000 . . . . . . A 126 PRO HB3 . 34526 1 1484 . 1 . 1 129 129 PRO HG2 H 1 2.000 0.000 . . . . . . A 126 PRO HG2 . 34526 1 1485 . 1 . 1 129 129 PRO HG3 H 1 2.000 0.000 . . . . . . A 126 PRO HG3 . 34526 1 1486 . 1 . 1 129 129 PRO HD2 H 1 3.777 0.000 . . . . . . A 126 PRO HD2 . 34526 1 1487 . 1 . 1 129 129 PRO HD3 H 1 3.837 0.000 . . . . . . A 126 PRO HD3 . 34526 1 1488 . 1 . 1 129 129 PRO CA C 13 63.594 0.000 . . . . . . A 126 PRO CA . 34526 1 1489 . 1 . 1 129 129 PRO CB C 13 32.011 0.059 . . . . . . A 126 PRO CB . 34526 1 1490 . 1 . 1 129 129 PRO CG C 13 27.400 0.000 . . . . . . A 126 PRO CG . 34526 1 1491 . 1 . 1 129 129 PRO CD C 13 50.907 0.007 . . . . . . A 126 PRO CD . 34526 1 1492 . 1 . 1 130 130 ILE H H 1 8.088 0.000 . . . . . . A 127 ILE H . 34526 1 1493 . 1 . 1 130 130 ILE HA H 1 4.160 0.000 . . . . . . A 127 ILE HA . 34526 1 1494 . 1 . 1 130 130 ILE HB H 1 1.832 0.000 . . . . . . A 127 ILE HB . 34526 1 1495 . 1 . 1 130 130 ILE HG12 H 1 1.124 0.000 . . . . . . A 127 ILE HG12 . 34526 1 1496 . 1 . 1 130 130 ILE HG13 H 1 1.389 0.000 . . . . . . A 127 ILE HG13 . 34526 1 1497 . 1 . 1 130 130 ILE HG21 H 1 0.850 0.000 . . . . . . A 127 ILE HG21 . 34526 1 1498 . 1 . 1 130 130 ILE HG22 H 1 0.850 0.000 . . . . . . A 127 ILE HG22 . 34526 1 1499 . 1 . 1 130 130 ILE HG23 H 1 0.850 0.000 . . . . . . A 127 ILE HG23 . 34526 1 1500 . 1 . 1 130 130 ILE HD11 H 1 0.741 0.000 . . . . . . A 127 ILE HD11 . 34526 1 1501 . 1 . 1 130 130 ILE HD12 H 1 0.741 0.000 . . . . . . A 127 ILE HD12 . 34526 1 1502 . 1 . 1 130 130 ILE HD13 H 1 0.741 0.000 . . . . . . A 127 ILE HD13 . 34526 1 1503 . 1 . 1 130 130 ILE CA C 13 61.335 0.000 . . . . . . A 127 ILE CA . 34526 1 1504 . 1 . 1 130 130 ILE CB C 13 38.649 0.000 . . . . . . A 127 ILE CB . 34526 1 1505 . 1 . 1 130 130 ILE CG1 C 13 27.474 0.001 . . . . . . A 127 ILE CG1 . 34526 1 1506 . 1 . 1 130 130 ILE CG2 C 13 17.556 0.000 . . . . . . A 127 ILE CG2 . 34526 1 1507 . 1 . 1 130 130 ILE CD1 C 13 13.109 0.000 . . . . . . A 127 ILE CD1 . 34526 1 1508 . 1 . 1 130 130 ILE N N 15 119.881 0.000 . . . . . . A 127 ILE N . 34526 1 1509 . 1 . 1 131 131 SER H H 1 8.286 0.000 . . . . . . A 128 SER H . 34526 1 1510 . 1 . 1 131 131 SER HA H 1 4.413 0.000 . . . . . . A 128 SER HA . 34526 1 1511 . 1 . 1 131 131 SER HB2 H 1 3.853 0.000 . . . . . . A 128 SER HB2 . 34526 1 1512 . 1 . 1 131 131 SER HB3 H 1 3.883 0.000 . . . . . . A 128 SER HB3 . 34526 1 1513 . 1 . 1 131 131 SER CA C 13 58.232 0.000 . . . . . . A 128 SER CA . 34526 1 1514 . 1 . 1 131 131 SER CB C 13 63.527 0.002 . . . . . . A 128 SER CB . 34526 1 1515 . 1 . 1 131 131 SER N N 15 119.015 0.000 . . . . . . A 128 SER N . 34526 1 1516 . 1 . 1 132 132 GLN H H 1 8.400 0.000 . . . . . . A 129 GLN H . 34526 1 1517 . 1 . 1 132 132 GLN HA H 1 4.227 0.000 . . . . . . A 129 GLN HA . 34526 1 1518 . 1 . 1 132 132 GLN HB2 H 1 1.869 0.000 . . . . . . A 129 GLN HB2 . 34526 1 1519 . 1 . 1 132 132 GLN HB3 H 1 2.011 0.000 . . . . . . A 129 GLN HB3 . 34526 1 1520 . 1 . 1 132 132 GLN HG2 H 1 2.218 0.000 . . . . . . A 129 GLN HG2 . 34526 1 1521 . 1 . 1 132 132 GLN HG3 H 1 2.218 0.000 . . . . . . A 129 GLN HG3 . 34526 1 1522 . 1 . 1 132 132 GLN HE21 H 1 6.681 0.000 . . . . . . A 129 GLN HE21 . 34526 1 1523 . 1 . 1 132 132 GLN HE22 H 1 7.357 0.000 . . . . . . A 129 GLN HE22 . 34526 1 1524 . 1 . 1 132 132 GLN CA C 13 56.234 0.000 . . . . . . A 129 GLN CA . 34526 1 1525 . 1 . 1 132 132 GLN CB C 13 28.984 0.003 . . . . . . A 129 GLN CB . 34526 1 1526 . 1 . 1 132 132 GLN CG C 13 33.618 0.000 . . . . . . A 129 GLN CG . 34526 1 1527 . 1 . 1 132 132 GLN N N 15 122.615 0.000 . . . . . . A 129 GLN N . 34526 1 1528 . 1 . 1 132 132 GLN NE2 N 15 111.897 0.000 . . . . . . A 129 GLN NE2 . 34526 1 1529 . 1 . 1 133 133 GLY H H 1 8.234 0.000 . . . . . . A 130 GLY H . 34526 1 1530 . 1 . 1 133 133 GLY HA2 H 1 2.942 0.000 . . . . . . A 130 GLY HA2 . 34526 1 1531 . 1 . 1 133 133 GLY HA3 H 1 3.619 0.000 . . . . . . A 130 GLY HA3 . 34526 1 1532 . 1 . 1 133 133 GLY CA C 13 45.145 0.004 . . . . . . A 130 GLY CA . 34526 1 1533 . 1 . 1 133 133 GLY N N 15 109.313 0.000 . . . . . . A 130 GLY N . 34526 1 1534 . 1 . 1 134 134 ALA H H 1 8.147 0.000 . . . . . . A 131 ALA H . 34526 1 1535 . 1 . 1 134 134 ALA HA H 1 4.261 0.000 . . . . . . A 131 ALA HA . 34526 1 1536 . 1 . 1 134 134 ALA HB1 H 1 1.442 0.000 . . . . . . A 131 ALA HB1 . 34526 1 1537 . 1 . 1 134 134 ALA HB2 H 1 1.442 0.000 . . . . . . A 131 ALA HB2 . 34526 1 1538 . 1 . 1 134 134 ALA HB3 H 1 1.442 0.000 . . . . . . A 131 ALA HB3 . 34526 1 1539 . 1 . 1 134 134 ALA CA C 13 53.811 0.000 . . . . . . A 131 ALA CA . 34526 1 1540 . 1 . 1 134 134 ALA CB C 13 18.947 0.000 . . . . . . A 131 ALA CB . 34526 1 1541 . 1 . 1 134 134 ALA N N 15 124.906 0.000 . . . . . . A 131 ALA N . 34526 1 1542 . 1 . 1 135 135 SER H H 1 8.425 0.000 . . . . . . A 132 SER H . 34526 1 1543 . 1 . 1 135 135 SER HA H 1 4.605 0.000 . . . . . . A 132 SER HA . 34526 1 1544 . 1 . 1 135 135 SER HB2 H 1 4.003 0.000 . . . . . . A 132 SER HB2 . 34526 1 1545 . 1 . 1 135 135 SER HB3 H 1 4.159 0.000 . . . . . . A 132 SER HB3 . 34526 1 1546 . 1 . 1 135 135 SER CA C 13 58.580 0.000 . . . . . . A 132 SER CA . 34526 1 1547 . 1 . 1 135 135 SER CB C 13 63.750 0.001 . . . . . . A 132 SER CB . 34526 1 1548 . 1 . 1 135 135 SER N N 15 113.497 0.000 . . . . . . A 132 SER N . 34526 1 1549 . 1 . 1 136 136 TRP H H 1 8.504 0.000 . . . . . . A 133 TRP H . 34526 1 1550 . 1 . 1 136 136 TRP HA H 1 4.553 0.000 . . . . . . A 133 TRP HA . 34526 1 1551 . 1 . 1 136 136 TRP HB2 H 1 3.220 0.000 . . . . . . A 133 TRP HB2 . 34526 1 1552 . 1 . 1 136 136 TRP HB3 H 1 3.220 0.000 . . . . . . A 133 TRP HB3 . 34526 1 1553 . 1 . 1 136 136 TRP HD1 H 1 7.037 0.000 . . . . . . A 133 TRP HD1 . 34526 1 1554 . 1 . 1 136 136 TRP HE1 H 1 10.041 0.000 . . . . . . A 133 TRP HE1 . 34526 1 1555 . 1 . 1 136 136 TRP HE3 H 1 7.556 0.000 . . . . . . A 133 TRP HE3 . 34526 1 1556 . 1 . 1 136 136 TRP HZ2 H 1 7.322 0.000 . . . . . . A 133 TRP HZ2 . 34526 1 1557 . 1 . 1 136 136 TRP HZ3 H 1 7.328 0.000 . . . . . . A 133 TRP HZ3 . 34526 1 1558 . 1 . 1 136 136 TRP HH2 H 1 6.843 0.000 . . . . . . A 133 TRP HH2 . 34526 1 1559 . 1 . 1 136 136 TRP CA C 13 58.877 0.000 . . . . . . A 133 TRP CA . 34526 1 1560 . 1 . 1 136 136 TRP CB C 13 28.953 0.000 . . . . . . A 133 TRP CB . 34526 1 1561 . 1 . 1 136 136 TRP CD1 C 13 124.400 0.000 . . . . . . A 133 TRP CD1 . 34526 1 1562 . 1 . 1 136 136 TRP CE3 C 13 121.619 0.000 . . . . . . A 133 TRP CE3 . 34526 1 1563 . 1 . 1 136 136 TRP CZ2 C 13 113.816 0.000 . . . . . . A 133 TRP CZ2 . 34526 1 1564 . 1 . 1 136 136 TRP CZ3 C 13 121.980 0.000 . . . . . . A 133 TRP CZ3 . 34526 1 1565 . 1 . 1 136 136 TRP CH2 C 13 123.081 0.000 . . . . . . A 133 TRP CH2 . 34526 1 1566 . 1 . 1 136 136 TRP N N 15 122.897 0.000 . . . . . . A 133 TRP N . 34526 1 1567 . 1 . 1 136 136 TRP NE1 N 15 127.876 0.000 . . . . . . A 133 TRP NE1 . 34526 1 1568 . 1 . 1 137 137 ALA H H 1 8.487 0.000 . . . . . . A 134 ALA H . 34526 1 1569 . 1 . 1 137 137 ALA HA H 1 4.264 0.000 . . . . . . A 134 ALA HA . 34526 1 1570 . 1 . 1 137 137 ALA HB1 H 1 1.529 0.000 . . . . . . A 134 ALA HB1 . 34526 1 1571 . 1 . 1 137 137 ALA HB2 H 1 1.529 0.000 . . . . . . A 134 ALA HB2 . 34526 1 1572 . 1 . 1 137 137 ALA HB3 H 1 1.529 0.000 . . . . . . A 134 ALA HB3 . 34526 1 1573 . 1 . 1 137 137 ALA CA C 13 55.661 0.000 . . . . . . A 134 ALA CA . 34526 1 1574 . 1 . 1 137 137 ALA CB C 13 17.871 0.000 . . . . . . A 134 ALA CB . 34526 1 1575 . 1 . 1 137 137 ALA N N 15 120.702 0.000 . . . . . . A 134 ALA N . 34526 1 1576 . 1 . 1 138 138 GLN H H 1 7.938 0.000 . . . . . . A 135 GLN H . 34526 1 1577 . 1 . 1 138 138 GLN HA H 1 4.128 0.000 . . . . . . A 135 GLN HA . 34526 1 1578 . 1 . 1 138 138 GLN HB2 H 1 2.189 0.000 . . . . . . A 135 GLN HB2 . 34526 1 1579 . 1 . 1 138 138 GLN HB3 H 1 2.189 0.000 . . . . . . A 135 GLN HB3 . 34526 1 1580 . 1 . 1 138 138 GLN HG2 H 1 2.459 0.000 . . . . . . A 135 GLN HG2 . 34526 1 1581 . 1 . 1 138 138 GLN HG3 H 1 2.459 0.000 . . . . . . A 135 GLN HG3 . 34526 1 1582 . 1 . 1 138 138 GLN HE21 H 1 6.931 0.000 . . . . . . A 135 GLN HE21 . 34526 1 1583 . 1 . 1 138 138 GLN HE22 H 1 7.608 0.000 . . . . . . A 135 GLN HE22 . 34526 1 1584 . 1 . 1 138 138 GLN CA C 13 58.904 0.000 . . . . . . A 135 GLN CA . 34526 1 1585 . 1 . 1 138 138 GLN CB C 13 28.477 0.000 . . . . . . A 135 GLN CB . 34526 1 1586 . 1 . 1 138 138 GLN CG C 13 34.147 0.000 . . . . . . A 135 GLN CG . 34526 1 1587 . 1 . 1 138 138 GLN N N 15 119.047 0.000 . . . . . . A 135 GLN N . 34526 1 1588 . 1 . 1 138 138 GLN NE2 N 15 112.227 0.021 . . . . . . A 135 GLN NE2 . 34526 1 1589 . 1 . 1 139 139 GLU H H 1 7.803 0.000 . . . . . . A 136 GLU H . 34526 1 1590 . 1 . 1 139 139 GLU HA H 1 3.846 0.000 . . . . . . A 136 GLU HA . 34526 1 1591 . 1 . 1 139 139 GLU HB2 H 1 1.634 0.000 . . . . . . A 136 GLU HB2 . 34526 1 1592 . 1 . 1 139 139 GLU HB3 H 1 1.634 0.000 . . . . . . A 136 GLU HB3 . 34526 1 1593 . 1 . 1 139 139 GLU HG2 H 1 2.165 0.000 . . . . . . A 136 GLU HG2 . 34526 1 1594 . 1 . 1 139 139 GLU HG3 H 1 2.536 0.000 . . . . . . A 136 GLU HG3 . 34526 1 1595 . 1 . 1 139 139 GLU CA C 13 58.949 0.000 . . . . . . A 136 GLU CA . 34526 1 1596 . 1 . 1 139 139 GLU CB C 13 29.578 0.000 . . . . . . A 136 GLU CB . 34526 1 1597 . 1 . 1 139 139 GLU CG C 13 36.155 0.055 . . . . . . A 136 GLU CG . 34526 1 1598 . 1 . 1 139 139 GLU N N 15 121.097 0.000 . . . . . . A 136 GLU N . 34526 1 1599 . 1 . 1 140 140 ASP H H 1 8.862 0.000 . . . . . . A 137 ASP H . 34526 1 1600 . 1 . 1 140 140 ASP HA H 1 4.493 0.000 . . . . . . A 137 ASP HA . 34526 1 1601 . 1 . 1 140 140 ASP HB2 H 1 2.668 0.000 . . . . . . A 137 ASP HB2 . 34526 1 1602 . 1 . 1 140 140 ASP HB3 H 1 2.956 0.000 . . . . . . A 137 ASP HB3 . 34526 1 1603 . 1 . 1 140 140 ASP CA C 13 57.106 0.000 . . . . . . A 137 ASP CA . 34526 1 1604 . 1 . 1 140 140 ASP CB C 13 40.011 0.007 . . . . . . A 137 ASP CB . 34526 1 1605 . 1 . 1 140 140 ASP N N 15 118.234 0.000 . . . . . . A 137 ASP N . 34526 1 1606 . 1 . 1 141 141 GLN H H 1 7.577 0.000 . . . . . . A 138 GLN H . 34526 1 1607 . 1 . 1 141 141 GLN HA H 1 3.922 0.000 . . . . . . A 138 GLN HA . 34526 1 1608 . 1 . 1 141 141 GLN HB2 H 1 2.208 0.000 . . . . . . A 138 GLN HB2 . 34526 1 1609 . 1 . 1 141 141 GLN HB3 H 1 2.208 0.000 . . . . . . A 138 GLN HB3 . 34526 1 1610 . 1 . 1 141 141 GLN HG2 H 1 2.513 0.000 . . . . . . A 138 GLN HG2 . 34526 1 1611 . 1 . 1 141 141 GLN HG3 H 1 2.438 0.000 . . . . . . A 138 GLN HG3 . 34526 1 1612 . 1 . 1 141 141 GLN HE21 H 1 7.008 0.000 . . . . . . A 138 GLN HE21 . 34526 1 1613 . 1 . 1 141 141 GLN HE22 H 1 7.577 0.000 . . . . . . A 138 GLN HE22 . 34526 1 1614 . 1 . 1 141 141 GLN CA C 13 58.807 0.000 . . . . . . A 138 GLN CA . 34526 1 1615 . 1 . 1 141 141 GLN CB C 13 28.644 0.000 . . . . . . A 138 GLN CB . 34526 1 1616 . 1 . 1 141 141 GLN CG C 13 33.993 0.008 . . . . . . A 138 GLN CG . 34526 1 1617 . 1 . 1 141 141 GLN N N 15 117.013 0.000 . . . . . . A 138 GLN N . 34526 1 1618 . 1 . 1 141 141 GLN NE2 N 15 113.524 0.000 . . . . . . A 138 GLN NE2 . 34526 1 1619 . 1 . 1 142 142 GLN H H 1 7.592 0.000 . . . . . . A 139 GLN H . 34526 1 1620 . 1 . 1 142 142 GLN HA H 1 4.137 0.000 . . . . . . A 139 GLN HA . 34526 1 1621 . 1 . 1 142 142 GLN HB2 H 1 2.197 0.000 . . . . . . A 139 GLN HB2 . 34526 1 1622 . 1 . 1 142 142 GLN HB3 H 1 2.197 0.000 . . . . . . A 139 GLN HB3 . 34526 1 1623 . 1 . 1 142 142 GLN HG2 H 1 2.528 0.000 . . . . . . A 139 GLN HG2 . 34526 1 1624 . 1 . 1 142 142 GLN HG3 H 1 2.489 0.000 . . . . . . A 139 GLN HG3 . 34526 1 1625 . 1 . 1 142 142 GLN HE21 H 1 7.008 0.000 . . . . . . A 139 GLN HE21 . 34526 1 1626 . 1 . 1 142 142 GLN HE22 H 1 7.577 0.000 . . . . . . A 139 GLN HE22 . 34526 1 1627 . 1 . 1 142 142 GLN CA C 13 58.915 0.000 . . . . . . A 139 GLN CA . 34526 1 1628 . 1 . 1 142 142 GLN CB C 13 28.401 0.000 . . . . . . A 139 GLN CB . 34526 1 1629 . 1 . 1 142 142 GLN CG C 13 33.912 0.002 . . . . . . A 139 GLN CG . 34526 1 1630 . 1 . 1 142 142 GLN N N 15 119.587 0.000 . . . . . . A 139 GLN N . 34526 1 1631 . 1 . 1 142 142 GLN NE2 N 15 113.524 0.000 . . . . . . A 139 GLN NE2 . 34526 1 1632 . 1 . 1 143 143 ASP H H 1 9.192 0.000 . . . . . . A 140 ASP H . 34526 1 1633 . 1 . 1 143 143 ASP HA H 1 4.047 0.000 . . . . . . A 140 ASP HA . 34526 1 1634 . 1 . 1 143 143 ASP HB2 H 1 2.164 0.000 . . . . . . A 140 ASP HB2 . 34526 1 1635 . 1 . 1 143 143 ASP HB3 H 1 2.865 0.000 . . . . . . A 140 ASP HB3 . 34526 1 1636 . 1 . 1 143 143 ASP CA C 13 57.297 0.000 . . . . . . A 140 ASP CA . 34526 1 1637 . 1 . 1 143 143 ASP CB C 13 40.733 0.001 . . . . . . A 140 ASP CB . 34526 1 1638 . 1 . 1 143 143 ASP N N 15 121.679 0.000 . . . . . . A 140 ASP N . 34526 1 1639 . 1 . 1 144 144 ALA H H 1 8.791 0.000 . . . . . . A 141 ALA H . 34526 1 1640 . 1 . 1 144 144 ALA HA H 1 4.290 0.000 . . . . . . A 141 ALA HA . 34526 1 1641 . 1 . 1 144 144 ALA HB1 H 1 1.427 0.000 . . . . . . A 141 ALA HB1 . 34526 1 1642 . 1 . 1 144 144 ALA HB2 H 1 1.427 0.000 . . . . . . A 141 ALA HB2 . 34526 1 1643 . 1 . 1 144 144 ALA HB3 H 1 1.427 0.000 . . . . . . A 141 ALA HB3 . 34526 1 1644 . 1 . 1 144 144 ALA CA C 13 55.296 0.000 . . . . . . A 141 ALA CA . 34526 1 1645 . 1 . 1 144 144 ALA CB C 13 19.421 0.000 . . . . . . A 141 ALA CB . 34526 1 1646 . 1 . 1 144 144 ALA N N 15 121.015 0.000 . . . . . . A 141 ALA N . 34526 1 1647 . 1 . 1 145 145 ASP H H 1 7.927 0.000 . . . . . . A 142 ASP H . 34526 1 1648 . 1 . 1 145 145 ASP HA H 1 4.452 0.000 . . . . . . A 142 ASP HA . 34526 1 1649 . 1 . 1 145 145 ASP HB2 H 1 2.911 0.000 . . . . . . A 142 ASP HB2 . 34526 1 1650 . 1 . 1 145 145 ASP HB3 H 1 2.763 0.000 . . . . . . A 142 ASP HB3 . 34526 1 1651 . 1 . 1 145 145 ASP CA C 13 57.546 0.000 . . . . . . A 142 ASP CA . 34526 1 1652 . 1 . 1 145 145 ASP CB C 13 41.237 0.003 . . . . . . A 142 ASP CB . 34526 1 1653 . 1 . 1 145 145 ASP N N 15 119.192 0.000 . . . . . . A 142 ASP N . 34526 1 1654 . 1 . 1 146 146 GLU H H 1 7.917 0.000 . . . . . . A 143 GLU H . 34526 1 1655 . 1 . 1 146 146 GLU HA H 1 4.065 0.000 . . . . . . A 143 GLU HA . 34526 1 1656 . 1 . 1 146 146 GLU HB2 H 1 2.081 0.000 . . . . . . A 143 GLU HB2 . 34526 1 1657 . 1 . 1 146 146 GLU HB3 H 1 2.239 0.000 . . . . . . A 143 GLU HB3 . 34526 1 1658 . 1 . 1 146 146 GLU HG2 H 1 2.542 0.000 . . . . . . A 143 GLU HG2 . 34526 1 1659 . 1 . 1 146 146 GLU HG3 H 1 2.297 0.000 . . . . . . A 143 GLU HG3 . 34526 1 1660 . 1 . 1 146 146 GLU CA C 13 59.761 0.000 . . . . . . A 143 GLU CA . 34526 1 1661 . 1 . 1 146 146 GLU CB C 13 29.672 0.047 . . . . . . A 143 GLU CB . 34526 1 1662 . 1 . 1 146 146 GLU CG C 13 36.629 0.003 . . . . . . A 143 GLU CG . 34526 1 1663 . 1 . 1 146 146 GLU N N 15 119.530 0.000 . . . . . . A 143 GLU N . 34526 1 1664 . 1 . 1 147 147 ASP H H 1 8.930 0.000 . . . . . . A 144 ASP H . 34526 1 1665 . 1 . 1 147 147 ASP HA H 1 4.687 0.000 . . . . . . A 144 ASP HA . 34526 1 1666 . 1 . 1 147 147 ASP HB2 H 1 2.768 0.000 . . . . . . A 144 ASP HB2 . 34526 1 1667 . 1 . 1 147 147 ASP HB3 H 1 2.864 0.000 . . . . . . A 144 ASP HB3 . 34526 1 1668 . 1 . 1 147 147 ASP CA C 13 57.427 0.000 . . . . . . A 144 ASP CA . 34526 1 1669 . 1 . 1 147 147 ASP CB C 13 41.182 0.007 . . . . . . A 144 ASP CB . 34526 1 1670 . 1 . 1 147 147 ASP N N 15 121.170 0.000 . . . . . . A 144 ASP N . 34526 1 1671 . 1 . 1 148 148 ARG H H 1 8.558 0.000 . . . . . . A 145 ARG H . 34526 1 1672 . 1 . 1 148 148 ARG HA H 1 4.163 0.000 . . . . . . A 145 ARG HA . 34526 1 1673 . 1 . 1 148 148 ARG HB2 H 1 2.076 0.000 . . . . . . A 145 ARG HB2 . 34526 1 1674 . 1 . 1 148 148 ARG HB3 H 1 2.076 0.000 . . . . . . A 145 ARG HB3 . 34526 1 1675 . 1 . 1 148 148 ARG HG2 H 1 1.808 0.000 . . . . . . A 145 ARG HG2 . 34526 1 1676 . 1 . 1 148 148 ARG HG3 H 1 1.808 0.000 . . . . . . A 145 ARG HG3 . 34526 1 1677 . 1 . 1 148 148 ARG HD2 H 1 3.232 0.000 . . . . . . A 145 ARG HD2 . 34526 1 1678 . 1 . 1 148 148 ARG HD3 H 1 3.232 0.000 . . . . . . A 145 ARG HD3 . 34526 1 1679 . 1 . 1 148 148 ARG CA C 13 59.499 0.000 . . . . . . A 145 ARG CA . 34526 1 1680 . 1 . 1 148 148 ARG CB C 13 29.449 0.000 . . . . . . A 145 ARG CB . 34526 1 1681 . 1 . 1 148 148 ARG CG C 13 26.960 0.000 . . . . . . A 145 ARG CG . 34526 1 1682 . 1 . 1 148 148 ARG CD C 13 43.452 0.000 . . . . . . A 145 ARG CD . 34526 1 1683 . 1 . 1 148 148 ARG N N 15 121.418 0.000 . . . . . . A 145 ARG N . 34526 1 1684 . 1 . 1 149 149 ARG H H 1 7.717 0.000 . . . . . . A 146 ARG H . 34526 1 1685 . 1 . 1 149 149 ARG HA H 1 4.126 0.000 . . . . . . A 146 ARG HA . 34526 1 1686 . 1 . 1 149 149 ARG HB2 H 1 1.981 0.000 . . . . . . A 146 ARG HB2 . 34526 1 1687 . 1 . 1 149 149 ARG HB3 H 1 1.981 0.000 . . . . . . A 146 ARG HB3 . 34526 1 1688 . 1 . 1 149 149 ARG HG2 H 1 1.897 0.000 . . . . . . A 146 ARG HG2 . 34526 1 1689 . 1 . 1 149 149 ARG HG3 H 1 1.692 0.000 . . . . . . A 146 ARG HG3 . 34526 1 1690 . 1 . 1 149 149 ARG HD2 H 1 3.303 0.000 . . . . . . A 146 ARG HD2 . 34526 1 1691 . 1 . 1 149 149 ARG HD3 H 1 3.303 0.000 . . . . . . A 146 ARG HD3 . 34526 1 1692 . 1 . 1 149 149 ARG CA C 13 59.301 0.000 . . . . . . A 146 ARG CA . 34526 1 1693 . 1 . 1 149 149 ARG CB C 13 30.163 0.000 . . . . . . A 146 ARG CB . 34526 1 1694 . 1 . 1 149 149 ARG CG C 13 28.508 0.012 . . . . . . A 146 ARG CG . 34526 1 1695 . 1 . 1 149 149 ARG CD C 13 43.460 0.000 . . . . . . A 146 ARG CD . 34526 1 1696 . 1 . 1 149 149 ARG N N 15 119.361 0.000 . . . . . . A 146 ARG N . 34526 1 1697 . 1 . 1 150 150 ALA H H 1 7.901 0.000 . . . . . . A 147 ALA H . 34526 1 1698 . 1 . 1 150 150 ALA HA H 1 4.339 0.000 . . . . . . A 147 ALA HA . 34526 1 1699 . 1 . 1 150 150 ALA HB1 H 1 1.692 0.000 . . . . . . A 147 ALA HB1 . 34526 1 1700 . 1 . 1 150 150 ALA HB2 H 1 1.692 0.000 . . . . . . A 147 ALA HB2 . 34526 1 1701 . 1 . 1 150 150 ALA HB3 H 1 1.692 0.000 . . . . . . A 147 ALA HB3 . 34526 1 1702 . 1 . 1 150 150 ALA CA C 13 54.112 0.000 . . . . . . A 147 ALA CA . 34526 1 1703 . 1 . 1 150 150 ALA CB C 13 18.991 0.000 . . . . . . A 147 ALA CB . 34526 1 1704 . 1 . 1 150 150 ALA N N 15 120.418 0.000 . . . . . . A 147 ALA N . 34526 1 1705 . 1 . 1 151 151 PHE H H 1 8.315 0.000 . . . . . . A 148 PHE H . 34526 1 1706 . 1 . 1 151 151 PHE HA H 1 4.420 0.000 . . . . . . A 148 PHE HA . 34526 1 1707 . 1 . 1 151 151 PHE HB2 H 1 3.124 0.000 . . . . . . A 148 PHE HB2 . 34526 1 1708 . 1 . 1 151 151 PHE HB3 H 1 3.391 0.000 . . . . . . A 148 PHE HB3 . 34526 1 1709 . 1 . 1 151 151 PHE HD1 H 1 7.337 0.000 . . . . . . A 148 PHE HD1 . 34526 1 1710 . 1 . 1 151 151 PHE HD2 H 1 7.337 0.000 . . . . . . A 148 PHE HD2 . 34526 1 1711 . 1 . 1 151 151 PHE HE1 H 1 7.146 0.000 . . . . . . A 148 PHE HE1 . 34526 1 1712 . 1 . 1 151 151 PHE HE2 H 1 7.146 0.000 . . . . . . A 148 PHE HE2 . 34526 1 1713 . 1 . 1 151 151 PHE CA C 13 60.510 0.000 . . . . . . A 148 PHE CA . 34526 1 1714 . 1 . 1 151 151 PHE CB C 13 39.688 0.001 . . . . . . A 148 PHE CB . 34526 1 1715 . 1 . 1 151 151 PHE CD1 C 13 132.345 0.000 . . . . . . A 148 PHE CD1 . 34526 1 1716 . 1 . 1 151 151 PHE CD2 C 13 132.345 0.000 . . . . . . A 148 PHE CD2 . 34526 1 1717 . 1 . 1 151 151 PHE CE1 C 13 131.246 0.000 . . . . . . A 148 PHE CE1 . 34526 1 1718 . 1 . 1 151 151 PHE CE2 C 13 131.246 0.000 . . . . . . A 148 PHE CE2 . 34526 1 1719 . 1 . 1 151 151 PHE N N 15 120.166 0.000 . . . . . . A 148 PHE N . 34526 1 1720 . 1 . 1 152 152 GLN H H 1 8.040 0.000 . . . . . . A 149 GLN H . 34526 1 1721 . 1 . 1 152 152 GLN HA H 1 4.165 0.000 . . . . . . A 149 GLN HA . 34526 1 1722 . 1 . 1 152 152 GLN HB2 H 1 2.124 0.000 . . . . . . A 149 GLN HB2 . 34526 1 1723 . 1 . 1 152 152 GLN HB3 H 1 2.124 0.000 . . . . . . A 149 GLN HB3 . 34526 1 1724 . 1 . 1 152 152 GLN HG2 H 1 2.515 0.000 . . . . . . A 149 GLN HG2 . 34526 1 1725 . 1 . 1 152 152 GLN HG3 H 1 2.584 0.000 . . . . . . A 149 GLN HG3 . 34526 1 1726 . 1 . 1 152 152 GLN HE21 H 1 7.614 0.000 . . . . . . A 149 GLN HE21 . 34526 1 1727 . 1 . 1 152 152 GLN HE22 H 1 6.987 0.000 . . . . . . A 149 GLN HE22 . 34526 1 1728 . 1 . 1 152 152 GLN CA C 13 56.805 0.000 . . . . . . A 149 GLN CA . 34526 1 1729 . 1 . 1 152 152 GLN CB C 13 28.969 0.000 . . . . . . A 149 GLN CB . 34526 1 1730 . 1 . 1 152 152 GLN CG C 13 34.007 0.002 . . . . . . A 149 GLN CG . 34526 1 1731 . 1 . 1 152 152 GLN N N 15 118.570 0.000 . . . . . . A 149 GLN N . 34526 1 1732 . 1 . 1 152 152 GLN NE2 N 15 112.079 0.018 . . . . . . A 149 GLN NE2 . 34526 1 1733 . 1 . 1 153 153 MET H H 1 7.813 0.000 . . . . . . A 150 MET H . 34526 1 1734 . 1 . 1 153 153 MET HA H 1 4.385 0.000 . . . . . . A 150 MET HA . 34526 1 1735 . 1 . 1 153 153 MET HB2 H 1 2.119 0.000 . . . . . . A 150 MET HB2 . 34526 1 1736 . 1 . 1 153 153 MET HB3 H 1 2.185 0.000 . . . . . . A 150 MET HB3 . 34526 1 1737 . 1 . 1 153 153 MET HG2 H 1 2.648 0.000 . . . . . . A 150 MET HG2 . 34526 1 1738 . 1 . 1 153 153 MET HG3 H 1 2.726 0.000 . . . . . . A 150 MET HG3 . 34526 1 1739 . 1 . 1 153 153 MET HE1 H 1 2.126 0.000 . . . . . . A 150 MET HE1 . 34526 1 1740 . 1 . 1 153 153 MET HE2 H 1 2.126 0.000 . . . . . . A 150 MET HE2 . 34526 1 1741 . 1 . 1 153 153 MET HE3 H 1 2.126 0.000 . . . . . . A 150 MET HE3 . 34526 1 1742 . 1 . 1 153 153 MET CA C 13 56.250 0.000 . . . . . . A 150 MET CA . 34526 1 1743 . 1 . 1 153 153 MET CB C 13 32.624 0.001 . . . . . . A 150 MET CB . 34526 1 1744 . 1 . 1 153 153 MET CG C 13 32.182 0.001 . . . . . . A 150 MET CG . 34526 1 1745 . 1 . 1 153 153 MET CE C 13 16.969 0.000 . . . . . . A 150 MET CE . 34526 1 1746 . 1 . 1 153 153 MET N N 15 118.143 0.000 . . . . . . A 150 MET N . 34526 1 1747 . 1 . 1 154 154 LEU H H 1 7.747 0.000 . . . . . . A 151 LEU H . 34526 1 1748 . 1 . 1 154 154 LEU HA H 1 4.297 0.000 . . . . . . A 151 LEU HA . 34526 1 1749 . 1 . 1 154 154 LEU HB2 H 1 1.528 0.000 . . . . . . A 151 LEU HB2 . 34526 1 1750 . 1 . 1 154 154 LEU HB3 H 1 1.639 0.000 . . . . . . A 151 LEU HB3 . 34526 1 1751 . 1 . 1 154 154 LEU HG H 1 1.712 0.000 . . . . . . A 151 LEU HG . 34526 1 1752 . 1 . 1 154 154 LEU HD11 H 1 0.898 0.000 . . . . . . A 151 LEU HD11 . 34526 1 1753 . 1 . 1 154 154 LEU HD12 H 1 0.898 0.000 . . . . . . A 151 LEU HD12 . 34526 1 1754 . 1 . 1 154 154 LEU HD13 H 1 0.898 0.000 . . . . . . A 151 LEU HD13 . 34526 1 1755 . 1 . 1 154 154 LEU HD21 H 1 0.932 0.000 . . . . . . A 151 LEU HD21 . 34526 1 1756 . 1 . 1 154 154 LEU HD22 H 1 0.932 0.000 . . . . . . A 151 LEU HD22 . 34526 1 1757 . 1 . 1 154 154 LEU HD23 H 1 0.932 0.000 . . . . . . A 151 LEU HD23 . 34526 1 1758 . 1 . 1 154 154 LEU CA C 13 55.214 0.000 . . . . . . A 151 LEU CA . 34526 1 1759 . 1 . 1 154 154 LEU CB C 13 42.227 0.004 . . . . . . A 151 LEU CB . 34526 1 1760 . 1 . 1 154 154 LEU CG C 13 26.810 0.000 . . . . . . A 151 LEU CG . 34526 1 1761 . 1 . 1 154 154 LEU CD1 C 13 23.396 0.000 . . . . . . A 151 LEU CD1 . 34526 1 1762 . 1 . 1 154 154 LEU CD2 C 13 25.264 0.000 . . . . . . A 151 LEU CD2 . 34526 1 1763 . 1 . 1 154 154 LEU N N 15 121.212 0.000 . . . . . . A 151 LEU N . 34526 1 1764 . 1 . 1 155 155 ARG H H 1 8.191 0.000 . . . . . . A 152 ARG H . 34526 1 1765 . 1 . 1 155 155 ARG HA H 1 4.259 0.000 . . . . . . A 152 ARG HA . 34526 1 1766 . 1 . 1 155 155 ARG HB2 H 1 1.769 0.000 . . . . . . A 152 ARG HB2 . 34526 1 1767 . 1 . 1 155 155 ARG HB3 H 1 1.828 0.000 . . . . . . A 152 ARG HB3 . 34526 1 1768 . 1 . 1 155 155 ARG HG2 H 1 1.596 0.000 . . . . . . A 152 ARG HG2 . 34526 1 1769 . 1 . 1 155 155 ARG HG3 H 1 1.636 0.000 . . . . . . A 152 ARG HG3 . 34526 1 1770 . 1 . 1 155 155 ARG HD2 H 1 3.196 0.000 . . . . . . A 152 ARG HD2 . 34526 1 1771 . 1 . 1 155 155 ARG HD3 H 1 3.196 0.000 . . . . . . A 152 ARG HD3 . 34526 1 1772 . 1 . 1 155 155 ARG CA C 13 56.131 0.000 . . . . . . A 152 ARG CA . 34526 1 1773 . 1 . 1 155 155 ARG CB C 13 30.781 0.008 . . . . . . A 152 ARG CB . 34526 1 1774 . 1 . 1 155 155 ARG CG C 13 26.962 0.007 . . . . . . A 152 ARG CG . 34526 1 1775 . 1 . 1 155 155 ARG CD C 13 43.273 0.000 . . . . . . A 152 ARG CD . 34526 1 1776 . 1 . 1 155 155 ARG N N 15 121.969 0.000 . . . . . . A 152 ARG N . 34526 1 1777 . 1 . 1 156 156 ARG H H 1 8.464 0.000 . . . . . . A 153 ARG H . 34526 1 1778 . 1 . 1 156 156 ARG HA H 1 4.384 0.000 . . . . . . A 153 ARG HA . 34526 1 1779 . 1 . 1 156 156 ARG HB2 H 1 1.746 0.000 . . . . . . A 153 ARG HB2 . 34526 1 1780 . 1 . 1 156 156 ARG HB3 H 1 1.913 0.000 . . . . . . A 153 ARG HB3 . 34526 1 1781 . 1 . 1 156 156 ARG HG2 H 1 1.644 0.000 . . . . . . A 153 ARG HG2 . 34526 1 1782 . 1 . 1 156 156 ARG HG3 H 1 1.644 0.000 . . . . . . A 153 ARG HG3 . 34526 1 1783 . 1 . 1 156 156 ARG HD2 H 1 3.200 0.000 . . . . . . A 153 ARG HD2 . 34526 1 1784 . 1 . 1 156 156 ARG HD3 H 1 3.200 0.000 . . . . . . A 153 ARG HD3 . 34526 1 1785 . 1 . 1 156 156 ARG CA C 13 55.730 0.000 . . . . . . A 153 ARG CA . 34526 1 1786 . 1 . 1 156 156 ARG CB C 13 30.966 0.000 . . . . . . A 153 ARG CB . 34526 1 1787 . 1 . 1 156 156 ARG CG C 13 26.932 0.000 . . . . . . A 153 ARG CG . 34526 1 1788 . 1 . 1 156 156 ARG CD C 13 43.298 0.000 . . . . . . A 153 ARG CD . 34526 1 1789 . 1 . 1 156 156 ARG N N 15 123.293 0.000 . . . . . . A 153 ARG N . 34526 1 1790 . 1 . 1 157 157 ASP H H 1 8.055 0.000 . . . . . . A 154 ASP H . 34526 1 1791 . 1 . 1 157 157 ASP HA H 1 4.387 0.000 . . . . . . A 154 ASP HA . 34526 1 1792 . 1 . 1 157 157 ASP HB2 H 1 2.594 0.000 . . . . . . A 154 ASP HB2 . 34526 1 1793 . 1 . 1 157 157 ASP HB3 H 1 2.670 0.000 . . . . . . A 154 ASP HB3 . 34526 1 1794 . 1 . 1 157 157 ASP CA C 13 55.719 0.000 . . . . . . A 154 ASP CA . 34526 1 1795 . 1 . 1 157 157 ASP CB C 13 42.202 0.001 . . . . . . A 154 ASP CB . 34526 1 1796 . 1 . 1 157 157 ASP N N 15 126.991 0.000 . . . . . . A 154 ASP N . 34526 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 34526 _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 11 _Spectral_peak_list.Experiment_name '3D 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 3.351 6.958 29.516 1 T 1.256e+06 0.00e+00 a 0 - - - 2 3.438 6.961 29.643 1 T 8.679e+05 0.00e+00 a 0 - - - 3 4.454 3.939 65.177 1 T 3.452e+06 0.00e+00 a 0 - - - 4 4.453 2.956 65.124 1 T 3.054e+06 0.00e+00 a 0 - - - 5 4.453 2.851 65.125 1 T 2.633e+06 0.00e+00 a 0 - - - 6 4.454 2.370 65.134 1 T 9.622e+06 0.00e+00 a 0 - - - 7 4.455 2.027 65.156 1 T 8.965e+06 0.00e+00 a 0 - - - 8 4.452 0.972 65.236 1 T 1.353e+06 0.00e+00 a 0 - - - 9 1.993 2.362 31.919 1 T 1.406e+07 0.00e+00 a 0 - - - 11 2.000 4.463 32.074 1 T 9.072e+06 0.00e+00 a 0 - - - 12 2.371 2.006 31.877 1 T 1.802e+07 0.00e+00 a 0 - - - 13 2.363 1.095 31.541 1 T 1.063e+07 0.00e+00 a 0 - - - 14 2.371 0.953 31.762 1 T 7.456e+06 0.00e+00 a 0 - - - 15 2.372 4.455 31.862 1 T 7.485e+06 0.00e+00 a 0 - - - 16 2.370 3.955 31.823 1 T 3.753e+06 0.00e+00 a 0 - - - 17 2.370 8.521 31.733 1 T 1.918e+06 0.00e+00 a 0 - - - 18 3.859 2.031 50.722 1 T 9.440e+06 0.00e+00 a 0 - - - 19 3.949 4.867 50.613 1 T 8.074e+06 0.00e+00 a 0 - - - 20 3.945 4.464 50.636 1 T 2.769e+06 0.00e+00 a 0 - - - 21 3.948 2.373 50.546 1 T 2.221e+06 0.00e+00 a 0 - - - 22 3.957 1.823 50.387 1 T 1.767e+06 0.00e+00 a 0 - - - 25 2.076 3.915 27.686 1 T 1.160e+07 0.00e+00 a 0 - - - 26 2.077 4.464 27.708 1 T 6.435e+06 0.00e+00 a 0 - - - 27 3.919 1.752 46.317 1 T 1.597e+06 0.00e+00 a 0 - - - 28 3.945 0.974 46.106 1 T 1.148e+06 0.00e+00 a 0 - - - 29 3.985 2.275 46.156 1 T 7.658e+05 0.00e+00 a 0 - - - 30 4.005 1.764 46.285 1 T 1.543e+06 0.00e+00 a 0 - - - 31 4.009 0.991 46.306 1 T 1.001e+06 0.00e+00 a 0 - - - 32 4.082 2.235 58.189 1 T 1.699e+07 0.00e+00 a 0 - - - 33 4.073 2.091 58.418 1 T 2.268e+07 0.00e+00 a 0 - - - 34 4.080 1.881 58.307 1 T 1.053e+07 0.00e+00 a 0 - - - 35 4.138 1.577 58.138 1 T 7.082e+06 0.00e+00 a 0 - - - 36 4.095 1.244 58.192 1 T 4.024e+06 0.00e+00 a 0 - - - 37 4.096 0.529 58.336 1 T 2.995e+06 0.00e+00 a 0 - - - 38 4.094 9.063 58.469 1 T 1.533e+06 0.00e+00 a 0 - - - 39 2.073 2.967 29.492 1 T 2.912e+06 0.00e+00 a 0 - - - 40 4.573 3.267 55.479 1 T 4.227e+06 0.00e+00 a 0 - - - 41 4.568 2.757 55.436 1 T 1.573e+07 0.00e+00 a 0 - - - 42 4.568 4.288 55.476 1 T 2.571e+06 0.00e+00 a 0 - - - 43 4.574 6.928 55.529 1 T 1.009e+06 0.00e+00 a 0 - - - 44 2.845 2.049 37.930 1 T 2.209e+06 0.00e+00 a 0 - - - 45 2.849 2.400 37.931 1 T 9.453e+05 0.00e+00 a 0 - - - 46 2.847 1.727 37.972 1 T 1.076e+06 0.00e+00 a 0 - - - 47 2.846 2.943 37.926 1 T 1.813e+07 0.00e+00 a 0 - - - 48 2.847 4.580 37.890 1 T 5.478e+06 0.00e+00 a 0 - - - 49 2.959 2.860 37.948 1 T 1.762e+07 0.00e+00 a 0 - - - 50 2.967 1.745 37.934 1 T 1.097e+06 0.00e+00 a 0 - - - 51 2.953 1.029 37.976 1 T 1.503e+06 0.00e+00 a 0 - - - 52 2.957 4.574 37.913 1 T 5.524e+06 0.00e+00 a 0 - - - 53 4.099 3.447 58.315 1 T 1.344e+06 0.00e+00 a 0 - - - 54 4.097 -0.238 58.345 1 T 1.115e+06 0.00e+00 a 0 - - - 55 1.733 2.064 41.758 1 T 2.906e+06 0.00e+00 a 0 - - - 56 1.745 2.333 41.728 1 T 1.070e+06 0.00e+00 a 0 - - - 57 0.965 2.063 25.413 1 T 1.352e+07 0.00e+00 a 0 - - - 58 0.966 1.760 25.403 1 T 3.056e+07 0.00e+00 a 0 - - - 59 0.965 2.309 25.410 1 T 6.778e+06 0.00e+00 a 0 - - - 60 0.967 2.806 25.414 1 T 1.422e+06 0.00e+00 a 0 - - - 61 0.966 3.961 25.404 1 T 4.592e+06 0.00e+00 a 0 - - - 62 0.965 4.104 25.390 1 T 1.299e+07 0.00e+00 a 0 - - - 63 1.026 1.551 24.877 1 T 5.959e+06 0.00e+00 a 0 - - - 64 1.027 1.755 24.877 1 T 2.208e+07 0.00e+00 a 0 - - - 65 1.027 2.059 24.867 1 T 1.287e+07 0.00e+00 a 0 - - - 66 1.026 2.219 24.876 1 T 6.034e+06 0.00e+00 a 0 - - - 67 1.030 2.783 24.828 1 T 1.027e+06 0.00e+00 a 0 - - - 69 1.032 2.933 24.948 1 T 9.801e+05 0.00e+00 a 0 - - - 70 1.028 3.588 24.940 1 T 1.070e+06 0.00e+00 a 0 - - - 71 1.026 3.415 24.849 1 T 7.452e+05 0.00e+00 a 0 - - - 72 1.027 3.272 24.900 1 T 7.039e+05 0.00e+00 a 0 - - - 73 1.027 4.104 24.873 1 T 1.152e+07 0.00e+00 a 0 - - - 75 1.028 4.480 25.048 1 T 9.667e+05 0.00e+00 a 0 - - - 76 1.026 7.240 24.781 1 T 7.814e+05 0.00e+00 a 0 - - - 77 1.026 8.146 24.702 1 T 6.707e+05 0.00e+00 a 0 - - - 78 3.986 1.891 59.512 1 T 1.638e+07 0.00e+00 a 0 - - - 80 3.984 0.926 59.543 1 T 6.521e+06 0.00e+00 a 0 - - - 81 3.961 0.784 59.637 1 T 7.597e+06 0.00e+00 a 0 - - - 83 3.981 2.942 59.636 1 T 3.256e+06 0.00e+00 a 0 - - - 84 3.984 4.464 59.627 1 T 1.417e+06 0.00e+00 a 0 - - - 86 3.979 8.649 59.786 1 T 2.427e+06 0.00e+00 a 0 - - - 87 1.810 0.700 31.630 1 T 1.657e+06 0.00e+00 a 0 - - - 88 1.892 4.003 32.055 1 T 9.534e+06 0.00e+00 a 0 - - - 91 1.667 2.961 29.148 1 T 3.671e+07 0.00e+00 a 0 - - - 92 1.663 3.689 29.145 1 T 5.893e+06 0.00e+00 a 0 - - - 93 1.671 4.013 29.122 1 T 6.527e+06 0.00e+00 a 0 - - - 94 1.665 7.857 29.122 1 T 1.250e+06 0.00e+00 a 0 - - - 95 2.946 1.699 41.741 1 T 7.788e+07 0.00e+00 a 0 - - - 96 2.938 0.289 41.735 1 T 1.768e+06 0.00e+00 a 0 - - - 97 2.941 0.411 41.741 1 T 1.976e+06 0.00e+00 a 0 - - - 98 2.952 0.890 41.780 1 T 5.671e+06 0.00e+00 a 0 - - - 99 2.941 4.222 41.673 1 T 4.476e+06 0.00e+00 a 0 - - - 100 2.945 4.483 41.710 1 T 5.546e+06 0.00e+00 a 0 - - - 101 2.932 6.927 41.629 1 T 1.305e+06 0.00e+00 a 0 - - - 102 2.935 6.728 41.764 1 T 7.711e+05 0.00e+00 a 0 - - - 103 1.420 0.891 24.951 1 T 4.405e+06 0.00e+00 a 0 - - - 104 1.416 1.675 24.945 1 T 4.963e+07 0.00e+00 a 0 - - - 105 1.416 2.190 24.857 1 T 4.000e+06 0.00e+00 a 0 - - - 106 1.412 1.893 24.806 1 T 2.317e+07 0.00e+00 a 0 - - - 107 1.424 2.501 24.796 1 T 1.517e+06 0.00e+00 a 0 - - - 108 1.418 4.306 24.862 1 T 4.315e+06 0.00e+00 a 0 - - - 109 1.402 3.976 24.952 1 T 5.355e+06 0.00e+00 a 0 - - - 110 1.392 3.688 24.897 1 T 4.267e+06 0.00e+00 a 0 - - - 111 1.414 2.963 24.947 1 T 1.049e+07 0.00e+00 a 0 - - - 112 1.419 3.291 25.017 1 T 1.026e+06 0.00e+00 a 0 - - - 113 1.504 1.911 24.896 1 T 1.840e+07 0.00e+00 a 0 - - - 114 1.507 2.968 24.863 1 T 1.118e+07 0.00e+00 a 0 - - - 115 1.506 3.688 24.855 1 T 3.945e+06 0.00e+00 a 0 - - - 116 1.506 4.013 24.862 1 T 7.294e+06 0.00e+00 a 0 - - - 117 4.429 3.267 58.977 1 T 6.763e+06 0.00e+00 a 0 - - - 119 4.431 1.247 58.965 1 T 2.158e+06 0.00e+00 a 0 - - - 120 4.423 4.239 58.778 1 T 6.462e+06 0.00e+00 a 0 - - - 121 4.425 6.929 59.046 1 T 1.160e+06 0.00e+00 a 0 - - - 122 3.287 4.426 30.683 1 T 2.859e+06 0.00e+00 a 0 - - - 123 3.292 4.568 30.698 1 T 1.792e+06 0.00e+00 a 0 - - - 124 3.292 4.238 30.704 1 T 1.054e+06 0.00e+00 a 0 - - - 125 3.283 4.007 30.607 1 T 6.741e+05 0.00e+00 a 0 - - - 126 3.290 2.897 30.710 1 T 1.175e+06 0.00e+00 a 0 - - - 127 3.282 2.090 30.669 1 T 7.261e+05 0.00e+00 a 0 - - - 128 3.251 4.560 30.671 1 T 1.768e+06 0.00e+00 a 0 - - - 129 3.253 4.434 30.675 1 T 2.840e+06 0.00e+00 a 0 - - - 130 3.242 2.902 30.638 1 T 1.527e+06 0.00e+00 a 0 - - - 133 3.425 4.090 66.004 1 T 7.473e+05 0.00e+00 a 0 - - - 134 3.422 2.043 66.020 1 T 1.901e+06 0.00e+00 a 0 - - - 135 3.437 1.450 66.079 1 T 8.119e+05 0.00e+00 a 0 - - - 136 3.429 1.641 66.026 1 T 2.029e+06 0.00e+00 a 0 - - - 137 3.424 1.063 66.014 1 T 2.810e+06 0.00e+00 a 0 - - - 138 3.423 0.861 66.015 1 T 4.491e+06 0.00e+00 a 0 - - - 139 3.429 0.383 66.008 1 T 9.254e+05 0.00e+00 a 0 - - - 140 2.120 1.060 38.255 1 T 4.949e+06 0.00e+00 a 0 - - - 141 2.106 3.438 38.297 1 T 9.885e+05 0.00e+00 a 0 - - - 142 2.114 4.096 38.287 1 T 1.948e+06 0.00e+00 a 0 - - - 143 1.067 0.385 14.546 1 T 2.103e+06 0.00e+00 a 0 - - - 144 1.067 0.896 14.557 1 T 1.540e+07 0.00e+00 a 0 - - - 145 1.068 1.224 14.550 1 T 4.344e+06 0.00e+00 a 0 - - - 146 1.066 1.422 14.584 1 T 2.673e+06 0.00e+00 a 0 - - - 147 1.066 1.726 14.573 1 T 4.662e+06 0.00e+00 a 0 - - - 148 1.067 2.051 14.573 1 T 1.423e+07 0.00e+00 a 0 - - - 149 1.067 2.402 14.546 1 T 3.905e+06 0.00e+00 a 0 - - - 150 1.070 2.864 14.547 1 T 2.511e+06 0.00e+00 a 0 - - - 151 1.068 3.290 14.564 1 T 1.499e+06 0.00e+00 a 0 - - - 152 0.965 3.203 14.579 1 T 1.066e+06 0.00e+00 a 0 - - - 153 1.067 3.432 14.549 1 T 3.780e+06 0.00e+00 a 0 - - - 154 1.067 3.601 14.590 1 T 2.314e+06 0.00e+00 a 0 - - - 155 1.065 3.866 14.624 1 T 8.952e+05 0.00e+00 a 0 - - - 156 1.068 4.108 14.569 1 T 5.394e+06 0.00e+00 a 0 - - - 157 1.068 4.575 14.576 1 T 1.492e+06 0.00e+00 a 0 - - - 158 1.067 7.232 14.552 1 T 3.458e+06 0.00e+00 a 0 - - - 159 1.067 8.840 14.581 1 T 1.166e+06 0.00e+00 a 0 - - - 160 0.763 1.066 30.765 1 T 2.315e+06 0.00e+00 a 0 - - - 161 0.760 1.670 30.811 1 T 8.626e+05 0.00e+00 a 0 - - - 163 0.766 2.045 30.723 1 T 1.757e+06 0.00e+00 a 0 - - - 164 0.755 3.411 30.708 1 T 8.715e+05 0.00e+00 a 0 - - - 165 0.882 0.387 18.299 1 T 7.589e+06 0.00e+00 a 0 - - - 166 0.882 0.565 18.291 1 T 2.832e+06 0.00e+00 a 0 - - - 167 0.882 1.060 18.274 1 T 2.320e+07 0.00e+00 a 0 - - - 168 0.882 2.092 18.269 1 T 9.089e+06 0.00e+00 a 0 - - - 169 0.888 2.918 18.243 1 T 9.125e+05 0.00e+00 a 0 - - - 170 0.882 3.429 18.307 1 T 4.422e+06 0.00e+00 a 0 - - - 171 0.883 3.598 18.194 1 T 3.138e+06 0.00e+00 a 0 - - - 172 0.881 4.105 18.201 1 T 3.131e+06 0.00e+00 a 0 - - - 173 0.881 7.230 18.306 1 T 6.299e+06 0.00e+00 a 0 - - - 174 0.883 8.167 18.210 1 T 1.260e+06 0.00e+00 a 0 - - - 175 3.574 3.968 65.905 1 T 1.044e+06 0.00e+00 a 0 - - - 176 3.583 1.821 65.909 1 T 2.636e+06 0.00e+00 a 0 - - - 177 3.579 0.934 65.895 1 T 7.150e+06 0.00e+00 a 0 - - - 178 3.575 0.771 65.894 1 T 2.926e+06 0.00e+00 a 0 - - - 179 1.865 3.578 38.530 1 T 1.420e+06 0.00e+00 a 0 - - - 180 1.866 3.982 38.543 1 T 2.202e+06 0.00e+00 a 0 - - - 181 1.870 8.115 38.528 1 T 6.648e+05 0.00e+00 a 0 - 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- - 1816 1.157 2.985 23.493 1 T 1.879e+06 0.00e+00 a 0 - - - 1817 1.156 2.638 23.525 1 T 3.135e+06 0.00e+00 a 0 - - - 1818 1.156 2.471 23.518 1 T 1.312e+07 0.00e+00 a 0 - - - 1819 1.156 2.208 23.515 1 T 1.714e+07 0.00e+00 a 0 - - - 1820 1.156 1.984 23.511 1 T 5.323e+06 0.00e+00 a 0 - - - 1821 1.156 1.693 23.521 1 T 4.160e+06 0.00e+00 a 0 - - - 1822 1.155 1.453 23.522 1 T 1.105e+07 0.00e+00 a 0 - - - 1824 1.156 0.799 23.506 1 T 6.948e+06 0.00e+00 a 0 - - - 1826 1.156 0.999 23.499 1 T 2.159e+07 0.00e+00 a 0 - - - 1827 4.595 0.777 56.066 1 T 3.224e+06 0.00e+00 a 0 - - - 1828 4.589 9.062 56.151 1 T 1.373e+06 0.00e+00 a 0 - - - 1829 4.190 1.778 59.130 1 T 7.230e+06 0.00e+00 a 0 - - - 1830 4.198 3.311 59.103 1 T 2.936e+06 0.00e+00 a 0 - - - 1831 4.204 4.629 59.108 1 T 1.345e+06 0.00e+00 a 0 - - - 1832 2.085 1.788 29.487 1 T 1.577e+07 0.00e+00 a 0 - - - 1833 3.369 4.201 42.986 1 T 3.086e+06 0.00e+00 a 0 - - - 1834 3.366 1.777 43.027 1 T 1.237e+07 0.00e+00 a 0 - - - 1835 3.367 2.186 43.021 1 T 2.945e+06 0.00e+00 a 0 - - - 1836 3.365 2.087 43.056 1 T 3.076e+06 0.00e+00 a 0 - - - 1837 3.363 4.639 42.982 1 T 9.386e+05 0.00e+00 a 0 - - - 1838 1.793 0.409 26.899 1 T 1.267e+06 0.00e+00 a 0 - - - 1839 1.784 0.900 26.856 1 T 1.235e+07 0.00e+00 a 0 - - - 1840 1.788 2.087 26.949 1 T 1.831e+07 0.00e+00 a 0 - - - 1841 1.795 2.547 26.980 1 T 1.724e+06 0.00e+00 a 0 - - - 1842 1.782 2.980 26.805 1 T 2.268e+06 0.00e+00 a 0 - - - 1843 1.783 2.751 26.924 1 T 1.501e+06 0.00e+00 a 0 - - - 1844 1.785 3.301 26.945 1 T 1.307e+07 0.00e+00 a 0 - - - 1845 1.787 4.172 26.896 1 T 1.094e+07 0.00e+00 a 0 - - - 1846 1.793 4.456 26.964 1 T 2.585e+06 0.00e+00 a 0 - - - 1847 1.780 4.632 26.920 1 T 2.245e+06 0.00e+00 a 0 - - - 1848 4.230 9.071 60.155 1 T 9.623e+05 0.00e+00 a 0 - - - 1849 4.226 2.736 60.057 1 T 2.175e+06 0.00e+00 a 0 - - - 1850 4.223 2.974 60.068 1 T 3.846e+06 0.00e+00 a 0 - - - 1851 4.219 1.002 60.070 1 T 1.107e+06 0.00e+00 a 0 - - - 1852 1.838 1.152 29.040 1 T 1.466e+06 0.00e+00 a 0 - - - 1853 1.827 1.698 29.071 1 T 3.127e+07 0.00e+00 a 0 - - - 1854 1.831 2.997 29.143 1 T 7.821e+06 0.00e+00 a 0 - - - 1855 1.713 1.990 25.962 1 T 4.431e+06 0.00e+00 a 0 - - - 1856 1.715 2.979 25.895 1 T 4.436e+06 0.00e+00 a 0 - - - 1857 4.077 2.943 58.183 1 T 2.150e+06 0.00e+00 a 0 - - - 1858 1.529 0.915 42.165 1 T 1.141e+07 0.00e+00 a 0 - - - 1859 1.557 2.338 42.254 1 T 2.007e+06 0.00e+00 a 0 - - - 1860 1.569 4.579 42.319 1 T 7.240e+05 0.00e+00 a 0 - - - 1861 1.568 9.058 42.383 1 T 9.820e+05 0.00e+00 a 0 - - - 1862 2.352 9.068 42.366 1 T 1.141e+06 0.00e+00 a 0 - - - 1863 2.280 8.996 42.163 1 T 5.119e+05 0.00e+00 a 0 - - - 1864 2.324 7.308 42.362 1 T 6.712e+05 0.00e+00 a 0 - - - 1866 1.533 7.293 42.318 1 T 8.153e+05 0.00e+00 a 0 - - - 1867 2.352 1.562 42.235 1 T 1.775e+06 0.00e+00 a 0 - - - 1868 2.347 0.778 42.300 1 T 2.877e+06 0.00e+00 a 0 - - - 1869 0.769 -0.225 25.837 1 T 1.273e+06 0.00e+00 a 0 - - - 1870 0.768 0.535 25.848 1 T 8.424e+06 0.00e+00 a 0 - - - 1871 0.768 1.962 25.880 1 T 7.052e+06 0.00e+00 a 0 - - - 1872 0.766 4.103 26.088 1 T 4.213e+06 0.00e+00 a 0 - - - 1873 0.770 3.893 25.924 1 T 2.520e+06 0.00e+00 a 0 - - - 1874 0.767 2.953 25.967 1 T 1.027e+06 0.00e+00 a 0 - - - 1875 0.768 4.588 25.831 1 T 2.845e+06 0.00e+00 a 0 - - - 1876 0.772 7.259 25.851 1 T 3.184e+06 0.00e+00 a 0 - - - 1877 0.766 7.587 25.751 1 T 7.285e+05 0.00e+00 a 0 - - - 1878 0.767 8.155 25.740 1 T 7.528e+05 0.00e+00 a 0 - - - 1879 0.767 9.063 25.825 1 T 2.194e+06 0.00e+00 a 0 - - - 1880 0.763 8.452 25.640 1 T 5.297e+05 0.00e+00 a 0 - - - 1881 0.782 9.063 23.849 1 T 2.678e+06 0.00e+00 a 0 - - - 1882 0.783 8.173 23.860 1 T 1.319e+06 0.00e+00 a 0 - - - 1883 0.783 7.956 23.888 1 T 1.037e+06 0.00e+00 a 0 - - - 1884 0.782 7.240 23.840 1 T 5.248e+06 0.00e+00 a 0 - - - 1885 0.781 6.836 23.909 1 T 9.934e+05 0.00e+00 a 0 - - - 1886 0.781 1.566 23.799 1 T 1.397e+07 0.00e+00 a 0 - - - 1887 0.778 -0.075 23.856 1 T 1.164e+06 0.00e+00 a 0 - - - 1888 3.846 3.375 61.378 1 T 1.803e+06 0.00e+00 a 0 - - - 1889 3.840 0.789 61.435 1 T 1.212e+06 0.00e+00 a 0 - - - 1890 3.720 3.835 62.569 1 T 1.586e+07 0.00e+00 a 0 - - - 1891 3.721 4.192 62.655 1 T 1.911e+06 0.00e+00 a 0 - - - 1892 3.724 8.127 62.550 1 T 8.911e+05 0.00e+00 a 0 - - - 1893 3.716 7.551 62.559 1 T 9.815e+05 0.00e+00 a 0 - - - 1894 3.720 7.291 62.584 1 T 1.164e+06 0.00e+00 a 0 - - - 1895 3.825 7.530 62.538 1 T 7.547e+05 0.00e+00 a 0 - - - 1896 3.839 7.302 62.539 1 T 1.135e+06 0.00e+00 a 0 - - - 1897 3.836 3.344 62.528 1 T 1.054e+06 0.00e+00 a 0 - - - 1898 3.835 2.974 62.636 1 T 8.135e+05 0.00e+00 a 0 - - - 1899 3.717 2.964 62.584 1 T 7.585e+05 0.00e+00 a 0 - - - 1900 3.837 1.990 62.553 1 T 8.839e+05 0.00e+00 a 0 - - - 1901 3.837 1.762 62.594 1 T 8.816e+05 0.00e+00 a 0 - - - 1903 4.467 1.715 57.690 1 T 4.391e+06 0.00e+00 a 0 - - - 1904 4.467 1.997 57.697 1 T 5.168e+06 0.00e+00 a 0 - - - 1905 4.461 2.744 57.620 1 T 8.986e+06 0.00e+00 a 0 - - - 1906 4.458 1.436 57.658 1 T 1.980e+06 0.00e+00 a 0 - - - 1907 2.973 4.471 40.418 1 T 3.695e+06 0.00e+00 a 0 - - - 1908 2.973 4.234 40.379 1 T 3.249e+06 0.00e+00 a 0 - - - 1909 2.973 2.733 40.467 1 T 9.961e+06 0.00e+00 a 0 - - - 1910 4.037 1.100 65.562 1 T 4.619e+06 0.00e+00 a 0 - - - 1911 4.038 2.112 65.560 1 T 4.310e+06 0.00e+00 a 0 - - - 1912 4.039 2.356 65.580 1 T 3.960e+06 0.00e+00 a 0 - - - 1913 2.355 7.229 31.287 1 T 1.422e+06 0.00e+00 a 0 - - - 1914 2.360 4.063 31.492 1 T 6.372e+06 0.00e+00 a 0 - - - 1915 2.358 1.574 31.460 1 T 2.394e+06 0.00e+00 a 0 - - - 1916 2.358 1.242 31.381 1 T 7.876e+06 0.00e+00 a 0 - - - 1917 1.090 2.121 22.078 1 T 2.337e+07 0.00e+00 a 0 - - - 1918 1.091 1.681 22.169 1 T 9.688e+06 0.00e+00 a 0 - - - 1919 1.097 1.559 22.190 1 T 8.458e+06 0.00e+00 a 0 - - - 1920 1.094 1.419 22.190 1 T 7.325e+06 0.00e+00 a 0 - - - 1921 1.100 3.446 22.208 1 T 3.355e+06 0.00e+00 a 0 - - - 1922 1.098 3.296 22.183 1 T 6.033e+06 0.00e+00 a 0 - - - 1923 1.096 2.988 22.230 1 T 2.013e+06 0.00e+00 a 0 - - - 1924 1.094 4.309 22.126 1 T 3.846e+06 0.00e+00 a 0 - - - 1925 1.095 4.078 22.214 1 T 1.288e+07 0.00e+00 a 0 - - - 1926 1.090 3.863 22.075 1 T 1.546e+07 0.00e+00 a 0 - - - 1927 1.099 4.533 22.184 1 T 5.204e+06 0.00e+00 a 0 - - - 1928 1.100 7.229 22.165 1 T 5.324e+06 0.00e+00 a 0 - - - 1929 1.096 7.007 22.229 1 T 7.565e+05 0.00e+00 a 0 - - - 1930 1.098 7.944 22.189 1 T 1.098e+06 0.00e+00 a 0 - - - 1931 1.100 8.814 22.043 1 T 6.018e+05 0.00e+00 a 0 - - - 1932 1.243 9.060 23.236 1 T 9.016e+05 0.00e+00 a 0 - - - 1933 1.241 7.950 23.126 1 T 1.242e+06 0.00e+00 a 0 - - - 1934 1.241 7.229 23.115 1 T 4.316e+06 0.00e+00 a 0 - - - 1935 1.241 4.530 23.100 1 T 5.086e+06 0.00e+00 a 0 - - - 1936 1.242 4.205 23.074 1 T 6.432e+06 0.00e+00 a 0 - - - 1937 1.241 4.052 23.088 1 T 1.259e+07 0.00e+00 a 0 - - - 1938 1.240 3.680 23.064 1 T 1.067e+06 0.00e+00 a 0 - - - 1939 1.242 3.433 23.098 1 T 2.283e+06 0.00e+00 a 0 - - - 1940 1.241 3.284 23.101 1 T 5.140e+06 0.00e+00 a 0 - - - 1941 1.241 2.973 23.077 1 T 2.712e+06 0.00e+00 a 0 - - - 1942 1.241 2.738 23.139 1 T 1.734e+06 0.00e+00 a 0 - - - 1943 1.241 2.356 23.109 1 T 1.385e+07 0.00e+00 a 0 - - - 1944 1.241 2.011 23.065 1 T 9.429e+06 0.00e+00 a 0 - - - 1945 1.241 1.718 23.096 1 T 6.881e+06 0.00e+00 a 0 - - - 1946 1.241 1.558 23.129 1 T 1.323e+07 0.00e+00 a 0 - - - 1947 1.240 1.397 23.114 1 T 8.668e+06 0.00e+00 a 0 - - - 1948 1.239 0.911 23.229 1 T 4.739e+06 0.00e+00 a 0 - - - 1949 1.241 0.784 23.122 1 T 5.825e+06 0.00e+00 a 0 - - - 1950 3.417 4.323 29.456 1 T 1.067e+06 0.00e+00 a 0 - - - 1951 3.356 4.326 29.443 1 T 8.743e+05 0.00e+00 a 0 - - - 1952 3.690 0.873 60.357 1 T 1.578e+06 0.00e+00 a 0 - - - 1953 3.693 1.094 60.315 1 T 8.318e+05 0.00e+00 a 0 - - - 1954 3.687 1.427 60.225 1 T 3.923e+06 0.00e+00 a 0 - - - 1955 3.687 1.681 60.246 1 T 5.575e+06 0.00e+00 a 0 - - - 1956 3.682 2.609 60.270 1 T 9.349e+05 0.00e+00 a 0 - - - 1957 3.689 4.481 60.330 1 T 8.679e+05 0.00e+00 a 0 - - - 1958 3.693 6.991 60.281 1 T 7.556e+05 0.00e+00 a 0 - - - 1960 2.004 3.698 32.184 1 T 7.108e+06 0.00e+00 a 0 - - - 1961 1.729 0.826 29.347 1 T 7.480e+06 0.00e+00 a 0 - - - 1962 1.714 3.689 29.364 1 T 4.203e+06 0.00e+00 a 0 - - - 1963 1.672 3.450 29.223 1 T 1.553e+06 0.00e+00 a 0 - - - 1964 1.715 4.469 29.324 1 T 4.570e+06 0.00e+00 a 0 - - - 1965 1.686 6.930 29.367 1 T 1.541e+06 0.00e+00 a 0 - - - 1966 1.658 0.876 25.329 1 T 2.707e+06 0.00e+00 a 0 - - - 1967 1.654 1.446 25.239 1 T 1.982e+07 0.00e+00 a 0 - - - 1968 1.656 1.977 25.086 1 T 7.718e+06 0.00e+00 a 0 - - - 1969 1.654 2.969 25.261 1 T 5.233e+06 0.00e+00 a 0 - - - 1970 1.657 3.691 25.127 1 T 2.749e+06 0.00e+00 a 0 - - - 1971 1.659 4.465 25.165 1 T 1.098e+06 0.00e+00 a 0 - - - 1972 2.105 0.905 30.051 1 T 4.054e+06 0.00e+00 a 0 - - - 1973 2.105 1.451 30.038 1 T 5.214e+06 0.00e+00 a 0 - - - 1974 2.105 3.275 30.078 1 T 4.531e+06 0.00e+00 a 0 - - - 1975 2.157 3.845 36.116 1 T 2.002e+06 0.00e+00 a 0 - - - 1976 2.150 4.064 36.142 1 T 5.960e+06 0.00e+00 a 0 - - - 1977 2.154 2.349 36.101 1 T 1.846e+07 0.00e+00 a 0 - - - 1978 2.154 1.443 36.135 1 T 3.679e+06 0.00e+00 a 0 - - - 1979 2.154 1.668 36.147 1 T 2.007e+06 0.00e+00 a 0 - - - 1980 2.154 0.746 36.125 1 T 2.815e+06 0.00e+00 a 0 - - - 1981 2.353 0.743 36.098 1 T 2.411e+06 0.00e+00 a 0 - - - 1982 2.350 0.858 36.173 1 T 1.707e+06 0.00e+00 a 0 - - - 1983 2.352 1.103 36.048 1 T 7.388e+05 0.00e+00 a 0 - - - 1984 2.368 1.257 36.174 1 T 1.569e+06 0.00e+00 a 0 - - - 1985 2.351 1.447 36.146 1 T 2.322e+06 0.00e+00 a 0 - - - 1987 2.350 1.685 36.153 1 T 1.758e+06 0.00e+00 a 0 - - - 1988 2.358 2.135 36.102 1 T 3.268e+07 0.00e+00 a 0 - - - 1989 2.353 4.060 36.142 1 T 6.164e+06 0.00e+00 a 0 - - - 1990 3.780 4.315 57.834 1 T 7.737e+05 0.00e+00 a 0 - - - 1991 3.782 1.441 57.752 1 T 4.248e+06 0.00e+00 a 0 - - - 1992 3.782 1.313 57.712 1 T 3.113e+06 0.00e+00 a 0 - - - 1993 3.780 0.714 57.763 1 T 5.262e+06 0.00e+00 a 0 - - - 1994 3.783 1.091 57.738 1 T 9.113e+05 0.00e+00 a 0 - - - 1995 1.334 4.309 42.209 1 T 7.401e+05 0.00e+00 a 0 - - - 1996 1.329 3.772 42.351 1 T 1.318e+06 0.00e+00 a 0 - - - 1997 1.321 0.611 42.270 1 T 1.977e+06 0.00e+00 a 0 - - - 1998 1.428 0.697 42.180 1 T 2.362e+06 0.00e+00 a 0 - - - 1999 1.434 0.605 42.184 1 T 2.073e+06 0.00e+00 a 0 - - - 2000 1.435 1.100 42.269 1 T 8.928e+05 0.00e+00 a 0 - - - 2001 1.434 1.328 42.173 1 T 2.920e+06 0.00e+00 a 0 - - - 2002 1.430 2.071 42.182 1 T 7.775e+05 0.00e+00 a 0 - - - 2003 1.429 3.804 42.261 1 T 9.295e+05 0.00e+00 a 0 - - - 2004 1.441 4.307 42.169 1 T 1.437e+06 0.00e+00 a 0 - - - 2005 1.429 7.007 42.258 1 T 6.034e+05 0.00e+00 a 0 - - - 2006 0.589 6.700 25.724 1 T 1.697e+06 0.00e+00 a 0 - - - 2007 0.589 7.015 25.761 1 T 2.723e+06 0.00e+00 a 0 - - - 2008 0.590 7.227 25.752 1 T 2.874e+06 0.00e+00 a 0 - - - 2009 0.589 4.528 25.689 1 T 1.088e+06 0.00e+00 a 0 - - - 2010 0.589 4.321 25.715 1 T 1.994e+06 0.00e+00 a 0 - - - 2011 0.590 4.125 25.766 1 T 3.353e+06 0.00e+00 a 0 - - - 2012 0.590 3.782 25.736 1 T 3.059e+06 0.00e+00 a 0 - - - 2013 0.590 3.435 25.731 1 T 2.544e+06 0.00e+00 a 0 - - - 2014 0.590 3.307 25.737 1 T 3.082e+06 0.00e+00 a 0 - - - 2015 0.589 2.781 25.703 1 T 1.057e+06 0.00e+00 a 0 - - - 2016 0.588 2.918 25.714 1 T 5.422e+05 0.00e+00 a 0 - - - 2017 0.590 2.390 25.709 1 T 1.984e+06 0.00e+00 a 0 - - - 2018 0.590 2.055 25.742 1 T 3.739e+06 0.00e+00 a 0 - - - 2019 0.591 1.829 25.761 1 T 2.303e+06 0.00e+00 a 0 - - - 2020 0.590 1.671 25.772 1 T 2.657e+06 0.00e+00 a 0 - - - 2021 0.590 1.434 25.735 1 T 8.126e+06 0.00e+00 a 0 - - - 2022 0.590 1.279 25.746 1 T 9.247e+06 0.00e+00 a 0 - - - 2023 0.590 1.070 25.724 1 T 6.544e+06 0.00e+00 a 0 - - - 2024 0.590 0.902 25.709 1 T 9.130e+06 0.00e+00 a 0 - - - 2025 0.696 -0.078 24.583 1 T 7.275e+05 0.00e+00 a 0 - - - 2026 0.698 1.064 24.609 1 T 5.558e+06 0.00e+00 a 0 - - - 2027 0.698 1.278 24.607 1 T 9.582e+06 0.00e+00 a 0 - - - 2028 0.698 2.055 24.615 1 T 5.270e+06 0.00e+00 a 0 - - - 2029 0.698 1.831 24.599 1 T 3.652e+06 0.00e+00 a 0 - - - 2030 0.698 1.679 24.591 1 T 4.138e+06 0.00e+00 a 0 - - - 2031 0.698 1.437 24.602 1 T 1.064e+07 0.00e+00 a 0 - - - 2032 0.698 2.385 24.623 1 T 3.538e+06 0.00e+00 a 0 - - - 2033 0.700 2.784 24.621 1 T 2.194e+06 0.00e+00 a 0 - - - 2034 0.700 3.310 24.631 1 T 1.779e+06 0.00e+00 a 0 - - - 2035 0.696 4.506 24.657 1 T 5.783e+05 0.00e+00 a 0 - - - 2036 0.700 4.319 24.631 1 T 1.653e+06 0.00e+00 a 0 - - - 2037 0.698 4.129 24.603 1 T 4.419e+06 0.00e+00 a 0 - - - 2038 0.699 3.783 24.622 1 T 5.546e+06 0.00e+00 a 0 - - - 2039 0.698 7.223 24.607 1 T 1.486e+06 0.00e+00 a 0 - - - 2040 0.702 7.025 24.583 1 T 6.700e+05 0.00e+00 a 0 - - - 2041 1.262 0.696 26.793 1 T 4.015e+06 0.00e+00 a 0 - - - 2042 1.253 0.879 26.886 1 T 1.918e+06 0.00e+00 a 0 - - - 2043 3.289 3.023 61.563 1 T 2.474e+06 0.00e+00 a 0 - - - 2044 3.289 2.600 61.585 1 T 2.260e+06 0.00e+00 a 0 - - - 2045 3.292 2.081 61.589 1 T 9.230e+05 0.00e+00 a 0 - - - 2046 3.299 1.846 61.563 1 T 8.857e+05 0.00e+00 a 0 - - - 2047 3.284 1.391 61.546 1 T 8.349e+05 0.00e+00 a 0 - - - 2048 3.298 0.893 61.563 1 T 1.286e+06 0.00e+00 a 0 - - - 2049 3.283 1.082 61.597 1 T 7.119e+05 0.00e+00 a 0 - - - 2050 3.291 0.696 61.587 1 T 1.952e+06 0.00e+00 a 0 - - - 2051 3.014 0.898 61.730 1 T 1.235e+06 0.00e+00 a 0 - - - 2054 3.017 2.602 61.754 1 T 4.604e+06 0.00e+00 a 0 - - - 2055 3.020 3.290 61.750 1 T 2.401e+06 0.00e+00 a 0 - - - 2056 2.607 3.019 61.728 1 T 4.094e+06 0.00e+00 a 0 - - - 2057 2.607 3.297 61.679 1 T 2.196e+06 0.00e+00 a 0 - 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- - 2507 0.898 1.538 23.519 1 T 1.799e+07 0.00e+00 a 0 - - - 2508 0.848 1.458 23.384 1 T 1.391e+07 0.00e+00 a 0 - - - 2509 0.849 1.262 23.356 1 T 5.783e+06 0.00e+00 a 0 - - - 2510 0.932 1.707 25.215 1 T 3.260e+07 0.00e+00 a 0 - - - 2511 0.937 1.379 25.177 1 T 5.452e+06 0.00e+00 a 0 - - - 2512 0.931 6.951 25.228 1 T 2.703e+06 0.00e+00 a 0 - - - 2513 1.753 0.555 26.815 1 T 5.635e+05 0.00e+00 a 0 - - - 2514 1.647 0.403 26.648 1 T 1.170e+06 0.00e+00 a 0 - - - 2515 4.264 1.805 56.090 1 T 1.634e+07 0.00e+00 a 0 - - - 2516 4.247 2.220 56.180 1 T 1.465e+07 0.00e+00 a 0 - - - 2517 4.260 3.995 56.110 1 T 3.414e+06 0.00e+00 a 0 - - - 2518 1.772 4.265 30.702 1 T 6.582e+06 0.00e+00 a 0 - - - 2519 1.766 3.193 30.751 1 T 5.823e+06 0.00e+00 a 0 - - - 2521 1.827 3.206 30.746 1 T 7.754e+06 0.00e+00 a 0 - - - 2522 1.829 4.266 30.733 1 T 6.858e+06 0.00e+00 a 0 - - - 2524 3.200 4.399 43.259 1 T 6.579e+06 0.00e+00 a 0 - - - 2525 3.201 7.290 43.354 1 T 8.208e+05 0.00e+00 a 0 - - - 2526 3.188 7.150 43.241 1 T 1.181e+06 0.00e+00 a 0 - - - 2527 1.643 3.204 27.109 1 T 2.455e+07 0.00e+00 a 0 - - - 2528 1.642 4.273 27.075 1 T 6.053e+06 0.00e+00 a 0 - - - 2529 4.388 3.200 55.750 1 T 4.117e+06 0.00e+00 a 0 - - - 2530 4.384 2.660 55.717 1 T 1.338e+07 0.00e+00 a 0 - - - 2531 4.389 1.913 55.757 1 T 1.215e+07 0.00e+00 a 0 - - - 2532 4.388 1.737 55.753 1 T 9.549e+06 0.00e+00 a 0 - - - 2533 4.390 1.649 55.764 1 T 1.085e+07 0.00e+00 a 0 - - - 2534 4.383 0.912 55.703 1 T 1.523e+06 0.00e+00 a 0 - - - 2535 1.747 1.901 30.901 1 T 4.154e+07 0.00e+00 a 0 - - - 2536 1.916 1.750 30.893 1 T 4.505e+07 0.00e+00 a 0 - - - 2538 3.214 4.167 43.249 1 T 6.926e+06 0.00e+00 a 0 - - - 2539 3.207 3.635 43.266 1 T 2.783e+06 0.00e+00 a 0 - - - 2540 3.195 3.443 43.293 1 T 7.521e+06 0.00e+00 a 0 - - - 2541 2.595 4.381 42.143 1 T 3.950e+06 0.00e+00 a 0 - - - 2542 2.669 4.382 42.165 1 T 4.092e+06 0.00e+00 a 0 - - - 2543 1.285 0.856 24.789 1 T 2.325e+06 0.00e+00 a 0 - - - 2544 1.535 1.084 27.612 1 T 1.831e+06 0.00e+00 a 0 - - - 2545 2.046 0.799 30.385 1 T 2.479e+06 0.00e+00 a 0 - - - 2546 1.057 7.636 26.465 1 T 8.627e+05 0.00e+00 a 0 - - - 2547 0.847 0.387 23.308 1 T 2.910e+06 0.00e+00 a 0 - - - 2548 0.848 0.586 23.414 1 T 4.754e+06 0.00e+00 a 0 - - - 2549 0.848 2.930 23.413 1 T 3.451e+06 0.00e+00 a 0 - - - 2550 0.848 3.264 23.524 1 T 1.861e+06 0.00e+00 a 0 - - - 2551 0.850 3.618 23.423 1 T 2.655e+06 0.00e+00 a 0 - - - 2552 0.847 4.456 23.520 1 T 1.709e+06 0.00e+00 a 0 - - - 2553 0.853 6.922 23.434 1 T 1.344e+06 0.00e+00 a 0 - - - 2554 0.848 8.176 23.468 1 T 7.056e+05 0.00e+00 a 0 - - - 2555 0.850 8.627 23.429 1 T 2.370e+06 0.00e+00 a 0 - - - 2556 2.965 5.265 41.476 1 T 6.126e+05 0.00e+00 a 0 - - - 2557 4.157 4.317 59.655 1 T 9.617e+06 0.00e+00 a 0 - - - 2558 4.156 2.102 59.557 1 T 2.093e+07 0.00e+00 a 0 - - - 2559 4.155 1.238 59.666 1 T 4.049e+06 0.00e+00 a 0 - - - 2560 4.148 0.407 59.506 1 T 1.083e+06 0.00e+00 a 0 - - - 2561 4.176 0.401 59.516 1 T 1.064e+06 0.00e+00 a 0 - - - 2562 2.300 2.100 36.341 1 T 4.738e+07 0.00e+00 a 0 - - - 2563 2.299 1.266 36.266 1 T 1.740e+06 0.00e+00 a 0 - - - 2564 2.387 4.152 36.281 1 T 5.887e+06 0.00e+00 a 0 - - - 2565 3.043 3.895 37.718 1 T 8.693e+05 0.00e+00 a 0 - - - 2566 3.034 4.598 37.700 1 T 1.625e+06 0.00e+00 a 0 - - - 2568 3.044 7.497 37.548 1 T 5.659e+05 0.00e+00 a 0 - - - 2570 0.881 1.445 24.227 1 T 1.517e+07 0.00e+00 a 0 - - - 2571 0.878 0.726 24.271 1 T 3.734e+07 0.00e+00 a 0 - - - ; 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 . . 18.023 ppm . . . 4.84 . . 34526 1 2 . . H 1 H . . 11.992 ppm . . . 4.84 . . 34526 1 3 . . C 13 C-aliphatic . . 66.084 ppm . . . 43.8 . . 34526 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 34526 _Spectral_peak_list.ID 2 _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 10 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aromatic' _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 67 6.924 4.571 118.616 1 T 1.366e+06 0.00e+00 a 0 - - - 68 6.924 4.428 118.584 1 T 1.445e+06 0.00e+00 a 0 - - - 69 6.927 4.116 118.630 1 T 5.678e+05 0.00e+00 a 0 - - - 70 6.925 3.265 118.588 1 T 2.848e+06 0.00e+00 a 0 - - - 71 6.926 2.905 118.526 1 T 2.106e+06 0.00e+00 a 0 - - - 72 6.925 2.058 118.537 1 T 1.282e+06 0.00e+00 a 0 - - - 73 6.925 1.896 118.540 1 T 9.890e+05 0.00e+00 a 0 - - - 74 6.929 1.685 118.493 1 T 2.472e+06 0.00e+00 a 0 - - - 75 6.928 1.431 118.473 1 T 1.366e+06 0.00e+00 a 0 - - - 76 6.930 1.276 118.505 1 T 1.377e+06 0.00e+00 a 0 - - - 77 6.928 0.853 118.532 1 T 2.488e+06 0.00e+00 a 0 - - - 78 7.891 1.681 138.101 1 T 5.051e+05 0.00e+00 a 0 - - - 79 7.897 1.855 138.123 1 T 7.978e+05 0.00e+00 a 0 - - - 80 7.893 3.125 138.004 1 T 9.321e+05 0.00e+00 a 0 - - - 81 6.832 3.177 121.650 1 T 1.540e+06 0.00e+00 a 0 - - - 82 6.830 3.473 121.591 1 T 5.773e+05 0.00e+00 a 0 - - - 83 6.832 3.931 121.692 1 T 1.095e+06 0.00e+00 a 0 - - - 85 6.834 1.957 121.595 1 T 8.676e+05 0.00e+00 a 0 - - - 86 6.831 1.553 121.599 1 T 1.385e+06 0.00e+00 a 0 - - - 87 6.830 0.428 121.619 1 T 1.092e+06 0.00e+00 a 0 - - - 88 6.828 0.291 121.671 1 T 1.254e+06 0.00e+00 a 0 - - - 89 7.640 1.957 137.908 1 T 2.964e+06 0.00e+00 a 0 - - - 90 7.637 0.415 137.822 1 T 1.108e+06 0.00e+00 a 0 - - - 91 7.636 0.287 137.890 1 T 1.487e+06 0.00e+00 a 0 - - - 92 7.640 7.882 138.019 1 T 1.179e+06 0.00e+00 a 0 - - - 94 7.277 6.948 134.035 1 T 7.092e+06 0.00e+00 a 0 - - - 95 7.278 4.982 134.078 1 T 2.332e+06 0.00e+00 a 0 - - - 96 7.284 2.968 134.133 1 T 8.876e+05 0.00e+00 a 0 - - - 97 7.279 2.835 133.997 1 T 1.989e+06 0.00e+00 a 0 - - - 98 7.276 3.275 134.050 1 T 1.957e+06 0.00e+00 a 0 - - - 99 7.273 1.615 134.038 1 T 1.013e+06 0.00e+00 a 0 - - - 101 7.275 1.306 133.927 1 T 7.487e+05 0.00e+00 a 0 - - - 102 7.278 1.098 134.006 1 T 7.035e+05 0.00e+00 a 0 - - - 103 7.278 0.901 134.000 1 T 2.499e+06 0.00e+00 a 0 - - - 104 7.271 0.424 134.030 1 T 6.301e+05 0.00e+00 a 0 - - - 105 6.983 3.925 119.432 1 T 1.148e+06 0.00e+00 a 0 - - - 106 6.984 3.186 119.404 1 T 2.339e+06 0.00e+00 a 0 - - - 107 6.987 1.531 119.315 1 T 1.043e+06 0.00e+00 a 0 - - - 108 6.984 0.295 119.438 1 T 9.902e+05 0.00e+00 a 0 - - - 109 7.819 6.939 138.690 1 T 5.447e+05 0.00e+00 a 0 - - - 110 7.821 4.435 138.630 1 T 4.975e+05 0.00e+00 a 0 - - - 111 7.820 4.087 138.718 1 T 4.355e+05 0.00e+00 a 0 - - - 112 7.822 3.296 138.710 1 T 4.341e+05 0.00e+00 a 0 - - - 113 7.818 2.910 138.745 1 T 1.021e+06 0.00e+00 a 0 - - - 114 7.823 2.070 138.685 1 T 8.358e+05 0.00e+00 a 0 - - - 115 7.822 1.893 138.757 1 T 4.898e+05 0.00e+00 a 0 - - - 116 7.822 2.247 138.691 1 T 1.046e+06 0.00e+00 a 0 - - - 117 7.818 1.696 138.695 1 T 7.893e+05 0.00e+00 a 0 - - - 118 7.823 1.660 138.707 1 T 8.772e+05 0.00e+00 a 0 - - - 119 7.822 0.825 138.726 1 T 1.234e+06 0.00e+00 a 0 - - - 120 7.234 4.138 131.147 1 T 7.186e+05 0.00e+00 a 0 - - - 121 7.243 4.070 131.323 1 T 7.154e+05 0.00e+00 a 0 - - - 123 7.243 3.426 131.181 1 T 1.024e+06 0.00e+00 a 0 - - - 124 6.813 4.737 130.511 1 T 8.450e+05 0.00e+00 a 0 - - - 125 6.803 3.351 130.461 1 T 7.867e+05 0.00e+00 a 0 - - - 127 6.800 3.812 130.414 1 T 5.517e+05 0.00e+00 a 0 - - - 128 6.805 1.597 130.450 1 T 5.010e+05 0.00e+00 a 0 - - - 129 7.052 4.252 132.330 1 T 1.715e+06 0.00e+00 a 0 - - - 130 7.059 3.646 132.389 1 T 7.163e+05 0.00e+00 a 0 - - - 131 7.055 3.414 132.202 1 T 1.431e+06 0.00e+00 a 0 - - - 132 7.057 3.115 132.214 1 T 1.801e+06 0.00e+00 a 0 - - - 133 7.052 1.722 132.204 1 T 1.206e+06 0.00e+00 a 0 - - - 134 7.051 0.766 132.307 1 T 1.795e+06 0.00e+00 a 0 - - - 135 7.052 0.417 132.223 1 T 9.476e+05 0.00e+00 a 0 - - - 136 7.051 -0.252 132.382 1 T 5.932e+05 0.00e+00 a 0 - - - 137 7.130 3.908 131.579 1 T 8.203e+05 0.00e+00 a 0 - - - 138 7.164 3.952 131.660 1 T 4.015e+05 0.00e+00 a 0 - - - 139 7.127 2.643 131.761 1 T 9.035e+05 0.00e+00 a 0 - - - 140 7.134 -0.228 131.343 1 T 1.050e+06 0.00e+00 a 0 - - - 141 6.943 4.322 126.527 1 T 1.065e+06 0.00e+00 a 0 - - - 142 6.944 3.349 126.531 1 T 2.128e+06 0.00e+00 a 0 - - - 143 6.945 3.696 126.433 1 T 9.712e+05 0.00e+00 a 0 - - - 145 6.944 3.830 126.560 1 T 8.370e+05 0.00e+00 a 0 - - - 147 6.940 0.807 126.595 1 T 1.226e+06 0.00e+00 a 0 - - - 148 6.947 -0.080 126.595 1 T 8.164e+05 0.00e+00 a 0 - - - 151 7.022 6.717 120.739 1 T 1.071e+06 0.00e+00 a 0 - - - 152 7.016 7.370 124.758 1 T 2.533e+06 0.00e+00 a 0 - - - 153 7.015 6.697 124.690 1 T 1.921e+06 0.00e+00 a 0 - - - 154 7.007 3.903 124.792 1 T 7.431e+05 0.00e+00 a 0 - - - 155 7.015 2.169 124.726 1 T 1.385e+06 0.00e+00 a 0 - - - 156 7.010 0.904 124.737 1 T 1.420e+06 0.00e+00 a 0 - - - 157 7.013 1.077 124.721 1 T 6.080e+05 0.00e+00 a 0 - - - 159 7.005 0.695 124.962 1 T 7.615e+05 0.00e+00 a 0 - - - 160 7.375 6.702 114.262 1 T 7.715e+05 0.00e+00 a 0 - - - 161 7.373 7.015 114.272 1 T 3.427e+06 0.00e+00 a 0 - - - 162 7.381 4.115 114.390 1 T 6.214e+05 0.00e+00 a 0 - - - 163 7.377 3.882 114.205 1 T 5.834e+05 0.00e+00 a 0 - - - 164 7.372 3.632 114.314 1 T 5.153e+05 0.00e+00 a 0 - - - 165 7.375 2.091 114.269 1 T 1.405e+06 0.00e+00 a 0 - - - 167 7.372 1.860 114.304 1 T 7.181e+05 0.00e+00 a 0 - - - 168 7.371 0.712 114.258 1 T 7.239e+05 0.00e+00 a 0 - - - 169 7.371 0.898 114.143 1 T 1.979e+06 0.00e+00 a 0 - - - 170 7.361 1.100 114.150 1 T 5.800e+05 0.00e+00 a 0 - - - 171 7.374 -0.077 114.358 1 T 7.045e+05 0.00e+00 a 0 - - - 172 6.700 7.011 121.971 1 T 2.101e+06 0.00e+00 a 0 - - - 173 6.701 7.372 122.014 1 T 6.777e+05 0.00e+00 a 0 - - - 174 6.704 1.051 122.135 1 T 7.995e+05 0.00e+00 a 0 - - - 175 6.693 0.676 122.020 1 T 7.268e+05 0.00e+00 a 0 - - - 176 6.705 0.931 121.910 1 T 8.542e+05 0.00e+00 a 0 - - - 177 7.018 3.638 124.427 1 T 7.839e+05 0.00e+00 a 0 - - - 178 7.022 3.187 124.133 1 T 9.652e+05 0.00e+00 a 0 - - - 179 7.545 7.311 121.766 1 T 8.128e+05 0.00e+00 a 0 - - - 180 6.829 7.304 123.103 1 T 1.444e+06 0.00e+00 a 0 - - - 181 6.826 0.799 123.185 1 T 1.115e+06 0.00e+00 a 0 - - - 182 7.309 6.838 113.820 1 T 1.437e+06 0.00e+00 a 0 - - - 183 7.297 2.230 113.923 1 T 6.855e+05 0.00e+00 a 0 - - - 184 7.297 1.326 113.960 1 T 5.945e+05 0.00e+00 a 0 - - - 185 7.302 0.838 113.795 1 T 1.197e+06 0.00e+00 a 0 - - - 186 7.320 -0.083 113.961 1 T 6.861e+05 0.00e+00 a 0 - - - 187 7.321 7.135 132.355 1 T 7.731e+06 0.00e+00 a 0 - - - 188 7.319 4.419 132.367 1 T 2.251e+06 0.00e+00 a 0 - - - 189 7.321 3.382 132.378 1 T 2.060e+06 0.00e+00 a 0 - - - 190 7.319 3.129 132.365 1 T 2.191e+06 0.00e+00 a 0 - - - 191 7.318 2.845 132.331 1 T 5.926e+05 0.00e+00 a 0 - - - 193 7.316 2.559 132.489 1 T 7.098e+05 0.00e+00 a 0 - - - 194 7.323 2.129 132.422 1 T 8.309e+05 0.00e+00 a 0 - - - 195 7.323 1.677 132.331 1 T 1.085e+06 0.00e+00 a 0 - - - 196 7.320 0.918 132.344 1 T 1.232e+06 0.00e+00 a 0 - - - 197 7.322 0.404 132.352 1 T 1.988e+06 0.00e+00 a 0 - - - 199 7.131 7.311 131.348 1 T 5.505e+06 0.00e+00 a 0 - - - 200 7.137 5.120 131.562 1 T 9.039e+05 0.00e+00 a 0 - - - 201 7.138 4.195 131.250 1 T 8.930e+05 0.00e+00 a 0 - - - 202 7.126 3.975 131.291 1 T 8.436e+05 0.00e+00 a 0 - - - 203 7.130 3.118 131.325 1 T 1.564e+06 0.00e+00 a 0 - - - 204 7.140 2.447 131.322 1 T 8.395e+05 0.00e+00 a 0 - - - 206 7.132 1.660 131.301 1 T 1.360e+06 0.00e+00 a 0 - - - 207 7.129 0.884 131.315 1 T 1.412e+06 0.00e+00 a 0 - - - 208 7.131 0.425 131.301 1 T 1.605e+06 0.00e+00 a 0 - - - 209 7.111 -0.238 131.271 1 T 9.503e+05 0.00e+00 a 0 - - - 210 6.946 7.276 118.236 1 T 9.582e+06 0.00e+00 a 0 - - - ; 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 . . 18.023 ppm . . . 4.84 . . 34526 2 2 . . H 1 H . . 11.992 ppm . . . 4.84 . . 34526 2 3 . . C 13 C-aromatic . . 30.009 ppm . . . 127.0 . . 34526 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 34526 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _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 1H-15N NOESY' _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 HN #INAME 2 H #INAME 3 N #SPECTRUM N15NOESY HN H N 66 7.939 4.859 122.018 1 T 2.559e+06 0.00e+00 a 0 - - - 67 7.940 8.426 122.016 1 T 9.212e+05 0.00e+00 a 0 - - - 68 7.962 8.654 122.192 1 T 1.260e+06 0.00e+00 a 0 - - - 69 7.962 8.188 122.200 1 T 3.982e+06 0.00e+00 a 0 - - - 70 7.941 4.079 122.050 1 T 3.775e+06 0.00e+00 a 0 - - - 71 7.938 3.965 122.044 1 T 2.529e+06 0.00e+00 a 0 - - - 72 7.940 2.080 122.041 1 T 5.825e+06 0.00e+00 a 0 - - - 73 7.943 2.270 122.079 1 T 3.234e+06 0.00e+00 a 0 - - - 74 7.962 1.570 122.206 1 T 1.430e+07 0.00e+00 a 0 - - - 75 7.962 1.245 122.157 1 T 1.720e+06 0.00e+00 a 0 - - - 76 7.962 1.093 122.206 1 T 1.526e+06 0.00e+00 a 0 - - - 77 7.962 0.803 122.184 1 T 1.356e+06 0.00e+00 a 0 - - - 78 7.958 0.565 122.206 1 T 7.208e+05 0.00e+00 a 0 - - - 79 8.453 0.880 118.842 1 T 2.926e+06 0.00e+00 a 0 - - - 80 8.452 0.728 118.943 1 T 4.268e+06 0.00e+00 a 0 - - - 81 8.434 2.855 118.828 1 T 8.320e+05 0.00e+00 a 0 - - - 82 8.452 2.993 119.053 1 T 9.750e+05 0.00e+00 a 0 - - - 83 8.427 2.978 118.995 1 T 1.102e+06 0.00e+00 a 0 - - - 84 8.447 3.311 118.940 1 T 1.280e+06 0.00e+00 a 0 - - - 85 8.437 4.594 118.758 1 T 1.075e+06 0.00e+00 a 0 - - - 86 8.454 3.885 118.809 1 T 2.802e+06 0.00e+00 a 0 - - - 87 6.932 4.861 112.064 1 T 8.483e+06 0.00e+00 a 0 - - - 88 6.930 4.614 111.923 1 T 1.157e+06 0.00e+00 a 0 - - - 89 6.931 4.457 111.988 1 T 1.141e+06 0.00e+00 a 0 - - - 90 6.940 4.279 112.066 1 T 1.310e+06 0.00e+00 a 0 - - - 91 6.933 4.130 112.022 1 T 9.157e+05 0.00e+00 a 0 - - - 92 6.941 3.906 112.128 1 T 9.860e+05 0.00e+00 a 0 - - - 93 6.977 2.885 111.812 1 T 3.105e+06 0.00e+00 a 0 - - - 94 6.934 2.865 111.852 1 T 2.635e+06 0.00e+00 a 0 - - - 95 6.936 2.477 112.164 1 T 4.981e+06 0.00e+00 a 0 - - - 96 6.938 2.194 112.105 1 T 2.117e+06 0.00e+00 a 0 - - - 97 6.941 2.116 112.029 1 T 2.243e+06 0.00e+00 a 0 - - - 98 6.943 1.844 111.977 1 T 9.394e+05 0.00e+00 a 0 - - - 99 6.939 1.702 112.008 1 T 8.060e+05 0.00e+00 a 0 - - - 100 6.939 1.547 112.223 1 T 6.812e+05 0.00e+00 a 0 - - - 101 6.932 1.454 112.144 1 T 6.954e+05 0.00e+00 a 0 - - - 102 6.944 0.903 112.073 1 T 1.566e+06 0.00e+00 a 0 - - - 103 7.713 1.725 111.861 1 T 8.383e+05 0.00e+00 a 0 - - - 104 7.675 1.254 111.748 1 T 3.301e+06 0.00e+00 a 0 - - - 105 7.706 2.488 111.820 1 T 3.979e+06 0.00e+00 a 0 - - - 107 7.707 2.200 111.836 1 T 1.995e+06 0.00e+00 a 0 - - - 108 7.709 2.077 111.793 1 T 1.677e+06 0.00e+00 a 0 - - - 109 7.711 2.950 111.785 1 T 3.085e+06 0.00e+00 a 0 - - - 110 7.710 4.458 111.710 1 T 9.971e+05 0.00e+00 a 0 - - - 111 7.713 4.608 111.854 1 T 1.132e+06 0.00e+00 a 0 - - - 112 7.709 4.862 111.814 1 T 5.541e+06 0.00e+00 a 0 - - - 113 7.707 6.635 111.905 1 T 1.170e+06 0.00e+00 a 0 - - - 114 7.706 6.880 111.855 1 T 7.550e+07 0.00e+00 a 0 - - - 116 8.189 7.771 120.621 1 T 3.142e+06 0.00e+00 a 0 - - - 117 8.186 4.105 120.544 1 T 3.960e+06 0.00e+00 a 0 - - - 118 8.189 2.954 120.628 1 T 2.007e+06 0.00e+00 a 0 - - - 119 8.189 2.881 120.624 1 T 1.793e+06 0.00e+00 a 0 - - - 120 8.190 1.758 120.617 1 T 7.911e+06 0.00e+00 a 0 - - - 121 7.777 0.985 118.115 1 T 1.715e+06 0.00e+00 a 0 - - - 122 7.774 0.779 118.062 1 T 9.705e+05 0.00e+00 a 0 - 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- - 142 7.980 3.259 120.307 1 T 2.422e+06 0.00e+00 a 0 - - - 143 7.979 3.427 120.193 1 T 2.014e+06 0.00e+00 a 0 - - - 144 7.984 7.725 119.677 1 T 3.725e+06 0.00e+00 a 0 - - - 145 7.985 8.315 119.853 1 T 1.223e+06 0.00e+00 a 0 - - - 146 7.987 9.068 119.705 1 T 2.360e+06 0.00e+00 a 0 - - - 147 8.150 4.847 119.802 1 T 1.370e+06 0.00e+00 a 0 - - - 148 8.137 4.122 119.405 1 T 6.736e+06 0.00e+00 a 0 - - - 150 8.142 3.976 119.655 1 T 3.018e+06 0.00e+00 a 0 - - - 167 8.290 3.911 115.461 1 T 3.254e+06 0.00e+00 a 0 - - - 168 8.294 4.240 115.390 1 T 3.933e+06 0.00e+00 a 0 - - - 169 8.291 4.436 115.431 1 T 1.305e+06 0.00e+00 a 0 - - - 171 8.293 8.123 115.424 1 T 4.418e+06 0.00e+00 a 0 - - - 172 8.303 4.856 115.413 1 T 8.284e+05 0.00e+00 a 0 - - - 173 8.293 3.583 115.379 1 T 9.219e+05 0.00e+00 a 0 - - - 174 8.291 2.399 115.552 1 T 7.311e+05 0.00e+00 a 0 - - - 175 8.295 1.872 115.393 1 T 3.171e+06 0.00e+00 a 0 - - - 176 8.292 1.257 115.435 1 T 2.958e+06 0.00e+00 a 0 - - - 177 8.294 0.918 115.447 1 T 3.208e+06 0.00e+00 a 0 - 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- - 1757 10.038 7.344 127.829 1 T 6.142e+06 0.00e+00 a 0 - - - 1758 10.039 7.816 127.858 1 T 6.578e+05 0.00e+00 a 0 - - - 1759 10.044 8.107 127.924 1 T 4.078e+05 0.00e+00 a 0 - - - 1760 10.038 8.521 127.925 1 T 1.244e+06 0.00e+00 a 0 - - - 1763 7.008 7.577 113.528 1 T 4.963e+07 0.00e+00 a 0 - - - 1764 7.011 4.857 113.513 1 T 1.726e+06 0.00e+00 a 0 - - - 1765 7.007 4.325 113.488 1 T 4.593e+05 0.00e+00 a 0 - - - 1766 7.008 3.941 113.523 1 T 7.762e+05 0.00e+00 a 0 - - - 1767 7.008 2.538 113.504 1 T 3.126e+06 0.00e+00 a 0 - - - 1768 7.008 2.211 113.439 1 T 1.092e+06 0.00e+00 a 0 - - - 1769 7.008 1.451 113.549 1 T 1.312e+06 0.00e+00 a 0 - - - 1770 7.010 0.816 113.503 1 T 9.423e+05 0.00e+00 a 0 - - - 1771 7.578 2.216 113.540 1 T 1.423e+06 0.00e+00 a 0 - - - 1772 7.578 2.539 113.510 1 T 5.249e+06 0.00e+00 a 0 - - - 1773 7.520 2.483 113.786 1 T 4.898e+05 0.00e+00 a 0 - - - 1774 7.576 0.831 113.503 1 T 9.034e+05 0.00e+00 a 0 - - - 1775 7.578 3.935 113.441 1 T 1.363e+06 0.00e+00 a 0 - - - 1776 7.578 7.006 113.530 1 T 4.604e+07 0.00e+00 a 0 - - - ; 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 HN . . 18.023 ppm . . . 4.864 . . 34526 3 2 . . H 1 H . . 11.992 ppm . . . 4.864 . . 34526 3 3 . . N 15 N . . 29.502 ppm . . . 117.65 . . 34526 3 stop_ save_