data_34604 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34604 _Entry.Title ; Solution structure of MLKL executioner domain in complex with a fragment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-02-23 _Entry.Accession_date 2021-02-23 _Entry.Last_release_date 2021-03-19 _Entry.Original_release_date 2021-03-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 M. Ruebbelke M. . . . 34604 2 M. Bauer M. . . . 34604 3 J. Hamilton J. . . . 34604 4 F. Binder F. . . . 34604 5 H. Nar H. . . . 34604 6 M. Zeeb M. . . . 34604 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'LIPID BINDING PROTEIN' . 34604 Necroptosis . 34604 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34604 spectral_peak_list 1 34604 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 511 34604 '15N chemical shifts' 159 34604 '1H chemical shifts' 1061 34604 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-12-28 2021-02-23 update BMRB 'update entry citation' 34604 1 . . 2021-09-17 2021-02-23 original author 'original release' 34604 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7NM4 'BMRB Entry Tracking System' 34604 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34604 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34672548 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Discovery and Structure-Based Optimization of Fragments Binding the Mixed Lineage Kinase Domain-like Protein Executioner Domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Med. Chem.' _Citation.Journal_name_full 'Journal of medicinal chemistry' _Citation.Journal_volume 64 _Citation.Journal_issue 21 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4804 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 15629 _Citation.Page_last 15638 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Ruebbelke M. . . . 34604 1 2 J. Hamilton J. . . . 34604 1 3 F. Binder F. . . . 34604 1 4 M. Bauer M. . . . 34604 1 5 J. King J. . . . 34604 1 6 H. Nar H. . . . 34604 1 7 M. Zeeb M. . . . 34604 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34604 _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 . . . . . . 34604 1 2 unit_2 2 $entity_UJ8 B A no . . . . . . 34604 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34604 _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 34604 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 . 34604 1 2 -1 SER . 34604 1 3 0 PRO . 34604 1 4 1 GLY . 34604 1 5 2 GLU . 34604 1 6 3 ASN . 34604 1 7 4 LEU . 34604 1 8 5 LYS . 34604 1 9 6 HIS . 34604 1 10 7 ILE . 34604 1 11 8 ILE . 34604 1 12 9 THR . 34604 1 13 10 LEU . 34604 1 14 11 GLY . 34604 1 15 12 GLN . 34604 1 16 13 VAL . 34604 1 17 14 ILE . 34604 1 18 15 HIS . 34604 1 19 16 LYS . 34604 1 20 17 ARG . 34604 1 21 18 CYS . 34604 1 22 19 GLU . 34604 1 23 20 GLU . 34604 1 24 21 MET . 34604 1 25 22 LYS . 34604 1 26 23 TYR . 34604 1 27 24 CYS . 34604 1 28 25 LYS . 34604 1 29 26 LYS . 34604 1 30 27 GLN . 34604 1 31 28 CYS . 34604 1 32 29 ARG . 34604 1 33 30 ARG . 34604 1 34 31 LEU . 34604 1 35 32 GLY . 34604 1 36 33 HIS . 34604 1 37 34 ARG . 34604 1 38 35 VAL . 34604 1 39 36 LEU . 34604 1 40 37 GLY . 34604 1 41 38 LEU . 34604 1 42 39 ILE . 34604 1 43 40 LYS . 34604 1 44 41 PRO . 34604 1 45 42 LEU . 34604 1 46 43 GLU . 34604 1 47 44 MET . 34604 1 48 45 LEU . 34604 1 49 46 GLN . 34604 1 50 47 ASP . 34604 1 51 48 GLN . 34604 1 52 49 GLY . 34604 1 53 50 LYS . 34604 1 54 51 ARG . 34604 1 55 52 SER . 34604 1 56 53 VAL . 34604 1 57 54 PRO . 34604 1 58 55 SER . 34604 1 59 56 GLU . 34604 1 60 57 LYS . 34604 1 61 58 LEU . 34604 1 62 59 THR . 34604 1 63 60 THR . 34604 1 64 61 ALA . 34604 1 65 62 MET . 34604 1 66 63 ASN . 34604 1 67 64 ARG . 34604 1 68 65 PHE . 34604 1 69 66 LYS . 34604 1 70 67 ALA . 34604 1 71 68 ALA . 34604 1 72 69 LEU . 34604 1 73 70 GLU . 34604 1 74 71 GLU . 34604 1 75 72 ALA . 34604 1 76 73 ASN . 34604 1 77 74 GLY . 34604 1 78 75 GLU . 34604 1 79 76 ILE . 34604 1 80 77 GLU . 34604 1 81 78 LYS . 34604 1 82 79 PHE . 34604 1 83 80 SER . 34604 1 84 81 ASN . 34604 1 85 82 ARG . 34604 1 86 83 SER . 34604 1 87 84 ASN . 34604 1 88 85 ILE . 34604 1 89 86 CYS . 34604 1 90 87 ARG . 34604 1 91 88 PHE . 34604 1 92 89 LEU . 34604 1 93 90 THR . 34604 1 94 91 ALA . 34604 1 95 92 SER . 34604 1 96 93 GLN . 34604 1 97 94 ASP . 34604 1 98 95 LYS . 34604 1 99 96 ILE . 34604 1 100 97 LEU . 34604 1 101 98 PHE . 34604 1 102 99 LYS . 34604 1 103 100 ASP . 34604 1 104 101 VAL . 34604 1 105 102 ASN . 34604 1 106 103 ARG . 34604 1 107 104 LYS . 34604 1 108 105 LEU . 34604 1 109 106 SER . 34604 1 110 107 ASP . 34604 1 111 108 VAL . 34604 1 112 109 TRP . 34604 1 113 110 LYS . 34604 1 114 111 GLU . 34604 1 115 112 LEU . 34604 1 116 113 SER . 34604 1 117 114 LEU . 34604 1 118 115 LEU . 34604 1 119 116 LEU . 34604 1 120 117 GLN . 34604 1 121 118 VAL . 34604 1 122 119 GLU . 34604 1 123 120 GLN . 34604 1 124 121 ARG . 34604 1 125 122 MET . 34604 1 126 123 PRO . 34604 1 127 124 VAL . 34604 1 128 125 SER . 34604 1 129 126 PRO . 34604 1 130 127 ILE . 34604 1 131 128 SER . 34604 1 132 129 GLN . 34604 1 133 130 GLY . 34604 1 134 131 ALA . 34604 1 135 132 SER . 34604 1 136 133 TRP . 34604 1 137 134 ALA . 34604 1 138 135 GLN . 34604 1 139 136 GLU . 34604 1 140 137 ASP . 34604 1 141 138 GLN . 34604 1 142 139 GLN . 34604 1 143 140 ASP . 34604 1 144 141 ALA . 34604 1 145 142 ASP . 34604 1 146 143 GLU . 34604 1 147 144 ASP . 34604 1 148 145 ARG . 34604 1 149 146 ARG . 34604 1 150 147 ALA . 34604 1 151 148 PHE . 34604 1 152 149 GLN . 34604 1 153 150 MET . 34604 1 154 151 LEU . 34604 1 155 152 ARG . 34604 1 156 153 ARG . 34604 1 157 154 ASP . 34604 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 34604 1 . SER 2 2 34604 1 . PRO 3 3 34604 1 . GLY 4 4 34604 1 . GLU 5 5 34604 1 . ASN 6 6 34604 1 . LEU 7 7 34604 1 . LYS 8 8 34604 1 . HIS 9 9 34604 1 . ILE 10 10 34604 1 . ILE 11 11 34604 1 . THR 12 12 34604 1 . LEU 13 13 34604 1 . GLY 14 14 34604 1 . GLN 15 15 34604 1 . VAL 16 16 34604 1 . ILE 17 17 34604 1 . HIS 18 18 34604 1 . LYS 19 19 34604 1 . ARG 20 20 34604 1 . CYS 21 21 34604 1 . GLU 22 22 34604 1 . GLU 23 23 34604 1 . MET 24 24 34604 1 . LYS 25 25 34604 1 . TYR 26 26 34604 1 . CYS 27 27 34604 1 . LYS 28 28 34604 1 . LYS 29 29 34604 1 . GLN 30 30 34604 1 . CYS 31 31 34604 1 . ARG 32 32 34604 1 . ARG 33 33 34604 1 . LEU 34 34 34604 1 . GLY 35 35 34604 1 . HIS 36 36 34604 1 . ARG 37 37 34604 1 . VAL 38 38 34604 1 . LEU 39 39 34604 1 . GLY 40 40 34604 1 . LEU 41 41 34604 1 . ILE 42 42 34604 1 . LYS 43 43 34604 1 . PRO 44 44 34604 1 . LEU 45 45 34604 1 . GLU 46 46 34604 1 . MET 47 47 34604 1 . LEU 48 48 34604 1 . GLN 49 49 34604 1 . ASP 50 50 34604 1 . GLN 51 51 34604 1 . GLY 52 52 34604 1 . LYS 53 53 34604 1 . ARG 54 54 34604 1 . SER 55 55 34604 1 . VAL 56 56 34604 1 . PRO 57 57 34604 1 . SER 58 58 34604 1 . GLU 59 59 34604 1 . LYS 60 60 34604 1 . LEU 61 61 34604 1 . THR 62 62 34604 1 . THR 63 63 34604 1 . ALA 64 64 34604 1 . MET 65 65 34604 1 . ASN 66 66 34604 1 . ARG 67 67 34604 1 . PHE 68 68 34604 1 . LYS 69 69 34604 1 . ALA 70 70 34604 1 . ALA 71 71 34604 1 . LEU 72 72 34604 1 . GLU 73 73 34604 1 . GLU 74 74 34604 1 . ALA 75 75 34604 1 . ASN 76 76 34604 1 . GLY 77 77 34604 1 . GLU 78 78 34604 1 . ILE 79 79 34604 1 . GLU 80 80 34604 1 . LYS 81 81 34604 1 . PHE 82 82 34604 1 . SER 83 83 34604 1 . ASN 84 84 34604 1 . ARG 85 85 34604 1 . SER 86 86 34604 1 . ASN 87 87 34604 1 . ILE 88 88 34604 1 . CYS 89 89 34604 1 . ARG 90 90 34604 1 . PHE 91 91 34604 1 . LEU 92 92 34604 1 . THR 93 93 34604 1 . ALA 94 94 34604 1 . SER 95 95 34604 1 . GLN 96 96 34604 1 . ASP 97 97 34604 1 . LYS 98 98 34604 1 . ILE 99 99 34604 1 . LEU 100 100 34604 1 . PHE 101 101 34604 1 . LYS 102 102 34604 1 . ASP 103 103 34604 1 . VAL 104 104 34604 1 . ASN 105 105 34604 1 . ARG 106 106 34604 1 . LYS 107 107 34604 1 . LEU 108 108 34604 1 . SER 109 109 34604 1 . ASP 110 110 34604 1 . VAL 111 111 34604 1 . TRP 112 112 34604 1 . LYS 113 113 34604 1 . GLU 114 114 34604 1 . LEU 115 115 34604 1 . SER 116 116 34604 1 . LEU 117 117 34604 1 . LEU 118 118 34604 1 . LEU 119 119 34604 1 . GLN 120 120 34604 1 . VAL 121 121 34604 1 . GLU 122 122 34604 1 . GLN 123 123 34604 1 . ARG 124 124 34604 1 . MET 125 125 34604 1 . PRO 126 126 34604 1 . VAL 127 127 34604 1 . SER 128 128 34604 1 . PRO 129 129 34604 1 . ILE 130 130 34604 1 . SER 131 131 34604 1 . GLN 132 132 34604 1 . GLY 133 133 34604 1 . ALA 134 134 34604 1 . SER 135 135 34604 1 . TRP 136 136 34604 1 . ALA 137 137 34604 1 . GLN 138 138 34604 1 . GLU 139 139 34604 1 . ASP 140 140 34604 1 . GLN 141 141 34604 1 . GLN 142 142 34604 1 . ASP 143 143 34604 1 . ALA 144 144 34604 1 . ASP 145 145 34604 1 . GLU 146 146 34604 1 . ASP 147 147 34604 1 . ARG 148 148 34604 1 . ARG 149 149 34604 1 . ALA 150 150 34604 1 . PHE 151 151 34604 1 . GLN 152 152 34604 1 . MET 153 153 34604 1 . LEU 154 154 34604 1 . ARG 155 155 34604 1 . ARG 156 156 34604 1 . ASP 157 157 34604 1 stop_ save_ save_entity_UJ8 _Entity.Sf_category entity _Entity.Sf_framecode entity_UJ8 _Entity.Entry_ID 34604 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_UJ8 _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID UJ8 _Entity.Nonpolymer_comp_label $chem_comp_UJ8 _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 266.338 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 UJ8 . 34604 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34604 _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 . 34604 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 34604 _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 . . . . . . . . . . 34604 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_UJ8 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_UJ8 _Chem_comp.Entry_ID 34604 _Chem_comp.ID UJ8 _Chem_comp.Provenance . _Chem_comp.Name (~{S})-1~{H}-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code UJ8 _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge . _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula 'C17 H18 N2 O' _Chem_comp.Formula_weight 266.338 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34604 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '385 uM [U-13C; U-15N] MLKL executioner domain, 2000 uM Cpd 3, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MLKL executioner domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 385 . . uM . . . . 34604 1 2 'Cpd 3' 'natural abundance' . . . . . . 2000 . . uM . . . . 34604 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34604 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '315 uM [U-13C; U-15N] MLKL executioner domain, 1600 uM Cpd 3, 93% H2O/7% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MLKL executioner domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 315 . . uM . . . . 34604 2 2 'Cpd 3' 'natural abundance' . . . . . . 1600 . . uM . . . . 34604 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 34604 _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 34604 1 pH 7.1 . pH 34604 1 pressure 1 . atm 34604 1 temperature 298 . K 34604 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 34604 _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 34604 2 pH 7.5 . pH 34604 2 pressure 1 . atm 34604 2 temperature 298 . K 34604 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34604 _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' . . 34604 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34604 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34604 _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 . . 34604 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34604 2 'peak picking' . 34604 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34604 _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' . . 34604 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34604 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34604 _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' . . 34604 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34604 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 34604 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34604 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34604 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 800 . . . 34604 1 2 NMR_spectrometer_2 Bruker 'AVANCE III HD' . 600 . . . 34604 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 34604 _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 . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34604 1 2 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34604 1 3 '3D HNccH TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34604 1 4 '3D HNCC TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34604 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34604 1 6 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34604 1 7 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34604 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34604 1 9 '3D filt. 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34604 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34604 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34604 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34604 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 34604 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 34604 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 34604 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 34604 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 34604 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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' . . . 34604 1 2 '3D HNCACB' . . . 34604 1 3 '3D HNccH TOCSY' . . . 34604 1 4 '3D HNCC TOCSY' . . . 34604 1 5 '3D 1H-15N NOESY' . . . 34604 1 6 '2D 1H-13C HSQC aliphatic' . . . 34604 1 7 '2D 1H-13C HSQC aromatic' . . . 34604 1 8 '3D HCCH-TOCSY' . . . 34604 1 9 '3D filt. 1H-13C NOESY aliphatic' . . . 34604 1 10 '3D 1H-13C NOESY aromatic' . . . 34604 1 11 '3D 1H-13C NOESY aliphatic' . . . 34604 1 12 '3D HCCH-TOCSY' . . . 34604 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 3.967 0.000 . . . . . . A -2 GLY HA2 . 34604 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.895 0.000 . . . . . . A -2 GLY HA3 . 34604 1 3 . 1 . 1 1 1 GLY CA C 13 43.402 0.002 . . . . . . A -2 GLY CA . 34604 1 4 . 1 . 1 2 2 SER HA H 1 4.969 0.000 . . . . . . A -1 SER HA . 34604 1 5 . 1 . 1 2 2 SER HB2 H 1 4.229 0.000 . . . . . . A -1 SER HB2 . 34604 1 6 . 1 . 1 2 2 SER HB3 H 1 3.995 0.000 . . . . . . A -1 SER HB3 . 34604 1 7 . 1 . 1 2 2 SER CA C 13 56.772 0.000 . . . . . . A -1 SER CA . 34604 1 8 . 1 . 1 2 2 SER CB C 13 62.854 0.005 . . . . . . A -1 SER CB . 34604 1 9 . 1 . 1 4 4 GLY HA2 H 1 3.848 0.000 . . . . . . A 1 GLY HA2 . 34604 1 10 . 1 . 1 4 4 GLY HA3 H 1 3.966 0.000 . . . . . . A 1 GLY HA3 . 34604 1 11 . 1 . 1 4 4 GLY CA C 13 46.874 0.019 . . . . . . A 1 GLY CA . 34604 1 12 . 1 . 1 5 5 GLU H H 1 7.828 0.000 . . . . . . A 2 GLU H . 34604 1 13 . 1 . 1 5 5 GLU HA H 1 4.041 0.000 . . . . . . A 2 GLU HA . 34604 1 14 . 1 . 1 5 5 GLU HB2 H 1 2.079 0.000 . . . . . . A 2 GLU HB2 . 34604 1 15 . 1 . 1 5 5 GLU HG2 H 1 2.267 0.000 . . . . . . A 2 GLU HG2 . 34604 1 16 . 1 . 1 5 5 GLU HG3 H 1 2.337 0.000 . . . . . . A 2 GLU HG3 . 34604 1 17 . 1 . 1 5 5 GLU CA C 13 58.837 0.000 . . . . . . A 2 GLU CA . 34604 1 18 . 1 . 1 5 5 GLU CB C 13 29.454 0.000 . . . . . . A 2 GLU CB . 34604 1 19 . 1 . 1 5 5 GLU CG C 13 36.851 0.003 . . . . . . A 2 GLU CG . 34604 1 20 . 1 . 1 5 5 GLU N N 15 122.905 0.000 . . . . . . A 2 GLU N . 34604 1 21 . 1 . 1 6 6 ASN H H 1 8.577 0.000 . . . . . . A 3 ASN H . 34604 1 22 . 1 . 1 6 6 ASN HA H 1 4.672 0.000 . . . . . . A 3 ASN HA . 34604 1 23 . 1 . 1 6 6 ASN HB2 H 1 3.093 0.000 . . . . . . A 3 ASN HB2 . 34604 1 24 . 1 . 1 6 6 ASN HB3 H 1 3.390 0.000 . . . . . . A 3 ASN HB3 . 34604 1 25 . 1 . 1 6 6 ASN CA C 13 55.478 0.000 . . . . . . A 3 ASN CA . 34604 1 26 . 1 . 1 6 6 ASN CB C 13 37.482 0.046 . . . . . . A 3 ASN CB . 34604 1 27 . 1 . 1 6 6 ASN N N 15 119.486 0.000 . . . . . . A 3 ASN N . 34604 1 28 . 1 . 1 7 7 LEU H H 1 8.175 0.000 . . . . . . A 4 LEU H . 34604 1 29 . 1 . 1 7 7 LEU HA H 1 4.081 0.000 . . . . . . A 4 LEU HA . 34604 1 30 . 1 . 1 7 7 LEU HB2 H 1 1.914 0.000 . . . . . . A 4 LEU HB2 . 34604 1 31 . 1 . 1 7 7 LEU HB3 H 1 2.032 0.000 . . . . . . A 4 LEU HB3 . 34604 1 32 . 1 . 1 7 7 LEU HD11 H 1 0.895 0.000 . . . . . . A 4 LEU HD11 . 34604 1 33 . 1 . 1 7 7 LEU HD12 H 1 0.895 0.000 . . . . . . A 4 LEU HD12 . 34604 1 34 . 1 . 1 7 7 LEU HD13 H 1 0.895 0.000 . . . . . . A 4 LEU HD13 . 34604 1 35 . 1 . 1 7 7 LEU HD21 H 1 0.922 0.000 . . . . . . A 4 LEU HD21 . 34604 1 36 . 1 . 1 7 7 LEU HD22 H 1 0.922 0.000 . . . . . . A 4 LEU HD22 . 34604 1 37 . 1 . 1 7 7 LEU HD23 H 1 0.922 0.000 . . . . . . A 4 LEU HD23 . 34604 1 38 . 1 . 1 7 7 LEU CA C 13 58.051 0.000 . . . . . . A 4 LEU CA . 34604 1 39 . 1 . 1 7 7 LEU CB C 13 41.965 0.001 . . . . . . A 4 LEU CB . 34604 1 40 . 1 . 1 7 7 LEU CD1 C 13 24.191 0.000 . . . . . . A 4 LEU CD1 . 34604 1 41 . 1 . 1 7 7 LEU CD2 C 13 25.806 0.000 . . . . . . A 4 LEU CD2 . 34604 1 42 . 1 . 1 7 7 LEU N N 15 120.413 0.000 . . . . . . A 4 LEU N . 34604 1 43 . 1 . 1 8 8 LYS H H 1 7.817 0.000 . . . . . . A 5 LYS H . 34604 1 44 . 1 . 1 8 8 LYS HA H 1 3.983 0.000 . . . . . . A 5 LYS HA . 34604 1 45 . 1 . 1 8 8 LYS HB2 H 1 1.932 0.000 . . . . . . A 5 LYS HB2 . 34604 1 46 . 1 . 1 8 8 LYS HB3 H 1 1.980 0.000 . . . . . . A 5 LYS HB3 . 34604 1 47 . 1 . 1 8 8 LYS HG2 H 1 1.534 0.000 . . . . . . A 5 LYS HG2 . 34604 1 48 . 1 . 1 8 8 LYS HG3 H 1 1.445 0.000 . . . . . . A 5 LYS HG3 . 34604 1 49 . 1 . 1 8 8 LYS HD2 H 1 1.687 0.000 . . . . . . A 5 LYS HD2 . 34604 1 50 . 1 . 1 8 8 LYS HD3 H 1 1.687 0.000 . . . . . . A 5 LYS HD3 . 34604 1 51 . 1 . 1 8 8 LYS HE2 H 1 2.899 0.000 . . . . . . A 5 LYS HE2 . 34604 1 52 . 1 . 1 8 8 LYS HE3 H 1 2.899 0.000 . . . . . . A 5 LYS HE3 . 34604 1 53 . 1 . 1 8 8 LYS CA C 13 59.721 0.000 . . . . . . A 5 LYS CA . 34604 1 54 . 1 . 1 8 8 LYS CB C 13 31.841 0.002 . . . . . . A 5 LYS CB . 34604 1 55 . 1 . 1 8 8 LYS CG C 13 24.817 0.006 . . . . . . A 5 LYS CG . 34604 1 56 . 1 . 1 8 8 LYS CD C 13 29.014 0.000 . . . . . . A 5 LYS CD . 34604 1 57 . 1 . 1 8 8 LYS CE C 13 41.728 0.000 . . . . . . A 5 LYS CE . 34604 1 58 . 1 . 1 8 8 LYS N N 15 118.697 0.000 . . . . . . A 5 LYS N . 34604 1 59 . 1 . 1 9 9 HIS H H 1 8.024 0.000 . . . . . . A 6 HIS H . 34604 1 60 . 1 . 1 9 9 HIS HA H 1 4.422 0.000 . . . . . . A 6 HIS HA . 34604 1 61 . 1 . 1 9 9 HIS HB2 H 1 3.297 0.000 . . . . . . A 6 HIS HB2 . 34604 1 62 . 1 . 1 9 9 HIS HB3 H 1 3.297 0.000 . . . . . . A 6 HIS HB3 . 34604 1 63 . 1 . 1 9 9 HIS HD2 H 1 6.924 0.000 . . . . . . A 6 HIS HD2 . 34604 1 64 . 1 . 1 9 9 HIS HE1 H 1 7.788 0.000 . . . . . . A 6 HIS HE1 . 34604 1 65 . 1 . 1 9 9 HIS CA C 13 59.441 0.000 . . . . . . A 6 HIS CA . 34604 1 66 . 1 . 1 9 9 HIS CB C 13 30.671 0.000 . . . . . . A 6 HIS CB . 34604 1 67 . 1 . 1 9 9 HIS CD2 C 13 118.728 0.000 . . . . . . A 6 HIS CD2 . 34604 1 68 . 1 . 1 9 9 HIS CE1 C 13 138.706 0.000 . . . . . . A 6 HIS CE1 . 34604 1 69 . 1 . 1 9 9 HIS N N 15 118.808 0.000 . . . . . . A 6 HIS N . 34604 1 70 . 1 . 1 10 10 ILE H H 1 7.785 0.000 . . . . . . A 7 ILE H . 34604 1 71 . 1 . 1 10 10 ILE HA H 1 3.441 0.000 . . . . . . A 7 ILE HA . 34604 1 72 . 1 . 1 10 10 ILE HB H 1 2.133 0.000 . . . . . . A 7 ILE HB . 34604 1 73 . 1 . 1 10 10 ILE HG12 H 1 0.826 0.000 . . . . . . A 7 ILE HG12 . 34604 1 74 . 1 . 1 10 10 ILE HG13 H 1 2.031 0.000 . . . . . . A 7 ILE HG13 . 34604 1 75 . 1 . 1 10 10 ILE HG21 H 1 0.890 0.000 . . . . . . A 7 ILE HG21 . 34604 1 76 . 1 . 1 10 10 ILE HG22 H 1 0.890 0.000 . . . . . . A 7 ILE HG22 . 34604 1 77 . 1 . 1 10 10 ILE HG23 H 1 0.890 0.000 . . . . . . A 7 ILE HG23 . 34604 1 78 . 1 . 1 10 10 ILE HD11 H 1 1.000 0.000 . . . . . . A 7 ILE HD11 . 34604 1 79 . 1 . 1 10 10 ILE HD12 H 1 1.000 0.000 . . . . . . A 7 ILE HD12 . 34604 1 80 . 1 . 1 10 10 ILE HD13 H 1 1.000 0.000 . . . . . . A 7 ILE HD13 . 34604 1 81 . 1 . 1 10 10 ILE CA C 13 65.915 0.000 . . . . . . A 7 ILE CA . 34604 1 82 . 1 . 1 10 10 ILE CB C 13 38.331 0.000 . . . . . . A 7 ILE CB . 34604 1 83 . 1 . 1 10 10 ILE CG1 C 13 30.849 0.014 . . . . . . A 7 ILE CG1 . 34604 1 84 . 1 . 1 10 10 ILE CG2 C 13 17.735 0.000 . . . . . . A 7 ILE CG2 . 34604 1 85 . 1 . 1 10 10 ILE CD1 C 13 14.205 0.000 . . . . . . A 7 ILE CD1 . 34604 1 86 . 1 . 1 10 10 ILE N N 15 121.068 0.000 . . . . . . A 7 ILE N . 34604 1 87 . 1 . 1 11 11 ILE H H 1 8.172 0.000 . . . . . . A 8 ILE H . 34604 1 88 . 1 . 1 11 11 ILE HA H 1 3.572 0.000 . . . . . . A 8 ILE HA . 34604 1 89 . 1 . 1 11 11 ILE HB H 1 1.876 0.000 . . . . . . A 8 ILE HB . 34604 1 90 . 1 . 1 11 11 ILE HG12 H 1 0.945 0.000 . . . . . . A 8 ILE HG12 . 34604 1 91 . 1 . 1 11 11 ILE HG13 H 1 1.753 0.000 . . . . . . A 8 ILE HG13 . 34604 1 92 . 1 . 1 11 11 ILE HG21 H 1 0.884 0.000 . . . . . . A 8 ILE HG21 . 34604 1 93 . 1 . 1 11 11 ILE HG22 H 1 0.884 0.000 . . . . . . A 8 ILE HG22 . 34604 1 94 . 1 . 1 11 11 ILE HG23 H 1 0.884 0.000 . . . . . . A 8 ILE HG23 . 34604 1 95 . 1 . 1 11 11 ILE HD11 H 1 0.740 0.000 . . . . . . A 8 ILE HD11 . 34604 1 96 . 1 . 1 11 11 ILE HD12 H 1 0.740 0.000 . . . . . . A 8 ILE HD12 . 34604 1 97 . 1 . 1 11 11 ILE HD13 H 1 0.740 0.000 . . . . . . A 8 ILE HD13 . 34604 1 98 . 1 . 1 11 11 ILE CA C 13 65.867 0.000 . . . . . . A 8 ILE CA . 34604 1 99 . 1 . 1 11 11 ILE CB C 13 38.551 0.000 . . . . . . A 8 ILE CB . 34604 1 100 . 1 . 1 11 11 ILE CG1 C 13 30.109 0.012 . . . . . . A 8 ILE CG1 . 34604 1 101 . 1 . 1 11 11 ILE CG2 C 13 17.472 0.000 . . . . . . A 8 ILE CG2 . 34604 1 102 . 1 . 1 11 11 ILE CD1 C 13 14.396 0.000 . . . . . . A 8 ILE CD1 . 34604 1 103 . 1 . 1 11 11 ILE N N 15 120.060 0.000 . . . . . . A 8 ILE N . 34604 1 104 . 1 . 1 12 12 THR H H 1 8.374 0.000 . . . . . . A 9 THR H . 34604 1 105 . 1 . 1 12 12 THR HA H 1 3.877 0.000 . . . . . . A 9 THR HA . 34604 1 106 . 1 . 1 12 12 THR HB H 1 4.241 0.000 . . . . . . A 9 THR HB . 34604 1 107 . 1 . 1 12 12 THR HG21 H 1 1.231 0.000 . . . . . . A 9 THR HG21 . 34604 1 108 . 1 . 1 12 12 THR HG22 H 1 1.231 0.000 . . . . . . A 9 THR HG22 . 34604 1 109 . 1 . 1 12 12 THR HG23 H 1 1.231 0.000 . . . . . . A 9 THR HG23 . 34604 1 110 . 1 . 1 12 12 THR CA C 13 66.774 0.000 . . . . . . A 9 THR CA . 34604 1 111 . 1 . 1 12 12 THR CB C 13 68.770 0.000 . . . . . . A 9 THR CB . 34604 1 112 . 1 . 1 12 12 THR CG2 C 13 21.582 0.000 . . . . . . A 9 THR CG2 . 34604 1 113 . 1 . 1 12 12 THR N N 15 115.685 0.000 . . . . . . A 9 THR N . 34604 1 114 . 1 . 1 13 13 LEU H H 1 8.025 0.000 . . . . . . A 10 LEU H . 34604 1 115 . 1 . 1 13 13 LEU HA H 1 4.070 0.000 . . . . . . A 10 LEU HA . 34604 1 116 . 1 . 1 13 13 LEU HB2 H 1 1.658 0.000 . . . . . . A 10 LEU HB2 . 34604 1 117 . 1 . 1 13 13 LEU HB3 H 1 1.593 0.000 . . . . . . A 10 LEU HB3 . 34604 1 118 . 1 . 1 13 13 LEU HD11 H 1 0.837 0.000 . . . . . . A 10 LEU HD11 . 34604 1 119 . 1 . 1 13 13 LEU HD12 H 1 0.837 0.000 . . . . . . A 10 LEU HD12 . 34604 1 120 . 1 . 1 13 13 LEU HD13 H 1 0.837 0.000 . . . . . . A 10 LEU HD13 . 34604 1 121 . 1 . 1 13 13 LEU HD21 H 1 0.802 0.000 . . . . . . A 10 LEU HD21 . 34604 1 122 . 1 . 1 13 13 LEU HD22 H 1 0.802 0.000 . . . . . . A 10 LEU HD22 . 34604 1 123 . 1 . 1 13 13 LEU HD23 H 1 0.802 0.000 . . . . . . A 10 LEU HD23 . 34604 1 124 . 1 . 1 13 13 LEU CA C 13 57.795 0.000 . . . . . . A 10 LEU CA . 34604 1 125 . 1 . 1 13 13 LEU CB C 13 41.940 0.006 . . . . . . A 10 LEU CB . 34604 1 126 . 1 . 1 13 13 LEU CD1 C 13 23.084 0.000 . . . . . . A 10 LEU CD1 . 34604 1 127 . 1 . 1 13 13 LEU CD2 C 13 26.651 0.000 . . . . . . A 10 LEU CD2 . 34604 1 128 . 1 . 1 13 13 LEU N N 15 122.506 0.000 . . . . . . A 10 LEU N . 34604 1 129 . 1 . 1 14 14 GLY H H 1 8.428 0.000 . . . . . . A 11 GLY H . 34604 1 130 . 1 . 1 14 14 GLY HA2 H 1 3.530 0.000 . . . . . . A 11 GLY HA2 . 34604 1 131 . 1 . 1 14 14 GLY HA3 H 1 3.613 0.000 . . . . . . A 11 GLY HA3 . 34604 1 132 . 1 . 1 14 14 GLY CA C 13 47.471 0.018 . . . . . . A 11 GLY CA . 34604 1 133 . 1 . 1 14 14 GLY N N 15 105.225 0.000 . . . . . . A 11 GLY N . 34604 1 134 . 1 . 1 15 15 GLN H H 1 8.142 0.000 . . . . . . A 12 GLN H . 34604 1 135 . 1 . 1 15 15 GLN HA H 1 3.979 0.000 . . . . . . A 12 GLN HA . 34604 1 136 . 1 . 1 15 15 GLN HB2 H 1 2.002 0.000 . . . . . . A 12 GLN HB2 . 34604 1 137 . 1 . 1 15 15 GLN HB3 H 1 2.446 0.000 . . . . . . A 12 GLN HB3 . 34604 1 138 . 1 . 1 15 15 GLN HG2 H 1 2.648 0.000 . . . . . . A 12 GLN HG2 . 34604 1 139 . 1 . 1 15 15 GLN HG3 H 1 2.306 0.000 . . . . . . A 12 GLN HG3 . 34604 1 140 . 1 . 1 15 15 GLN HE21 H 1 6.632 0.000 . . . . . . A 12 GLN HE21 . 34604 1 141 . 1 . 1 15 15 GLN HE22 H 1 7.227 0.000 . . . . . . A 12 GLN HE22 . 34604 1 142 . 1 . 1 15 15 GLN CA C 13 59.350 0.000 . . . . . . A 12 GLN CA . 34604 1 143 . 1 . 1 15 15 GLN CB C 13 27.506 0.002 . . . . . . A 12 GLN CB . 34604 1 144 . 1 . 1 15 15 GLN CG C 13 33.767 0.012 . . . . . . A 12 GLN CG . 34604 1 145 . 1 . 1 15 15 GLN N N 15 119.971 0.000 . . . . . . A 12 GLN N . 34604 1 146 . 1 . 1 15 15 GLN NE2 N 15 110.806 0.000 . . . . . . A 12 GLN NE2 . 34604 1 147 . 1 . 1 16 16 VAL H H 1 8.620 0.000 . . . . . . A 13 VAL H . 34604 1 148 . 1 . 1 16 16 VAL HA H 1 3.679 0.000 . . . . . . A 13 VAL HA . 34604 1 149 . 1 . 1 16 16 VAL HB H 1 2.362 0.000 . . . . . . A 13 VAL HB . 34604 1 150 . 1 . 1 16 16 VAL HG11 H 1 0.937 0.000 . . . . . . A 13 VAL HG11 . 34604 1 151 . 1 . 1 16 16 VAL HG12 H 1 0.937 0.000 . . . . . . A 13 VAL HG12 . 34604 1 152 . 1 . 1 16 16 VAL HG13 H 1 0.937 0.000 . . . . . . A 13 VAL HG13 . 34604 1 153 . 1 . 1 16 16 VAL HG21 H 1 1.067 0.000 . . . . . . A 13 VAL HG21 . 34604 1 154 . 1 . 1 16 16 VAL HG22 H 1 1.067 0.000 . . . . . . A 13 VAL HG22 . 34604 1 155 . 1 . 1 16 16 VAL HG23 H 1 1.067 0.000 . . . . . . A 13 VAL HG23 . 34604 1 156 . 1 . 1 16 16 VAL CA C 13 66.712 0.000 . . . . . . A 13 VAL CA . 34604 1 157 . 1 . 1 16 16 VAL CB C 13 31.665 0.000 . . . . . . A 13 VAL CB . 34604 1 158 . 1 . 1 16 16 VAL CG1 C 13 20.765 0.000 . . . . . . A 13 VAL CG1 . 34604 1 159 . 1 . 1 16 16 VAL CG2 C 13 23.224 0.000 . . . . . . A 13 VAL CG2 . 34604 1 160 . 1 . 1 16 16 VAL N N 15 123.221 0.000 . . . . . . A 13 VAL N . 34604 1 161 . 1 . 1 17 17 ILE H H 1 8.406 0.000 . . . . . . A 14 ILE H . 34604 1 162 . 1 . 1 17 17 ILE HA H 1 3.486 0.000 . . . . . . A 14 ILE HA . 34604 1 163 . 1 . 1 17 17 ILE HB H 1 2.015 0.000 . . . . . . A 14 ILE HB . 34604 1 164 . 1 . 1 17 17 ILE HG12 H 1 0.794 0.000 . . . . . . A 14 ILE HG12 . 34604 1 165 . 1 . 1 17 17 ILE HG13 H 1 1.774 0.000 . . . . . . A 14 ILE HG13 . 34604 1 166 . 1 . 1 17 17 ILE HG21 H 1 0.700 0.000 . . . . . . A 14 ILE HG21 . 34604 1 167 . 1 . 1 17 17 ILE HG22 H 1 0.700 0.000 . . . . . . A 14 ILE HG22 . 34604 1 168 . 1 . 1 17 17 ILE HG23 H 1 0.700 0.000 . . . . . . A 14 ILE HG23 . 34604 1 169 . 1 . 1 17 17 ILE HD11 H 1 0.835 0.000 . . . . . . A 14 ILE HD11 . 34604 1 170 . 1 . 1 17 17 ILE HD12 H 1 0.835 0.000 . . . . . . A 14 ILE HD12 . 34604 1 171 . 1 . 1 17 17 ILE HD13 H 1 0.835 0.000 . . . . . . A 14 ILE HD13 . 34604 1 172 . 1 . 1 17 17 ILE CA C 13 65.930 0.000 . . . . . . A 14 ILE CA . 34604 1 173 . 1 . 1 17 17 ILE CB C 13 38.123 0.000 . . . . . . A 14 ILE CB . 34604 1 174 . 1 . 1 17 17 ILE CG1 C 13 30.117 0.010 . . . . . . A 14 ILE CG1 . 34604 1 175 . 1 . 1 17 17 ILE CG2 C 13 16.848 0.000 . . . . . . A 14 ILE CG2 . 34604 1 176 . 1 . 1 17 17 ILE CD1 C 13 16.187 0.000 . . . . . . A 14 ILE CD1 . 34604 1 177 . 1 . 1 17 17 ILE N N 15 121.422 0.000 . . . . . . A 14 ILE N . 34604 1 178 . 1 . 1 18 18 HIS H H 1 8.167 0.000 . . . . . . A 15 HIS H . 34604 1 179 . 1 . 1 18 18 HIS HA H 1 3.920 0.000 . . . . . . A 15 HIS HA . 34604 1 180 . 1 . 1 18 18 HIS HB2 H 1 3.167 0.000 . . . . . . A 15 HIS HB2 . 34604 1 181 . 1 . 1 18 18 HIS HB3 H 1 3.167 0.000 . . . . . . A 15 HIS HB3 . 34604 1 182 . 1 . 1 18 18 HIS HD2 H 1 6.777 0.000 . . . . . . A 15 HIS HD2 . 34604 1 183 . 1 . 1 18 18 HIS HE1 H 1 7.562 0.000 . . . . . . A 15 HIS HE1 . 34604 1 184 . 1 . 1 18 18 HIS CA C 13 61.312 0.000 . . . . . . A 15 HIS CA . 34604 1 185 . 1 . 1 18 18 HIS CB C 13 29.889 0.000 . . . . . . A 15 HIS CB . 34604 1 186 . 1 . 1 18 18 HIS CD2 C 13 121.663 0.000 . . . . . . A 15 HIS CD2 . 34604 1 187 . 1 . 1 18 18 HIS CE1 C 13 137.927 0.000 . . . . . . A 15 HIS CE1 . 34604 1 188 . 1 . 1 18 18 HIS N N 15 119.148 0.000 . . . . . . A 15 HIS N . 34604 1 189 . 1 . 1 19 19 LYS H H 1 7.868 0.000 . . . . . . A 16 LYS H . 34604 1 190 . 1 . 1 19 19 LYS HA H 1 3.654 0.000 . . . . . . A 16 LYS HA . 34604 1 191 . 1 . 1 19 19 LYS HB2 H 1 1.929 0.000 . . . . . . A 16 LYS HB2 . 34604 1 192 . 1 . 1 19 19 LYS HB3 H 1 1.929 0.000 . . . . . . A 16 LYS HB3 . 34604 1 193 . 1 . 1 19 19 LYS HG2 H 1 1.369 0.000 . . . . . . A 16 LYS HG2 . 34604 1 194 . 1 . 1 19 19 LYS HG3 H 1 1.486 0.000 . . . . . . A 16 LYS HG3 . 34604 1 195 . 1 . 1 19 19 LYS HD2 H 1 1.657 0.000 . . . . . . A 16 LYS HD2 . 34604 1 196 . 1 . 1 19 19 LYS HD3 H 1 1.657 0.000 . . . . . . A 16 LYS HD3 . 34604 1 197 . 1 . 1 19 19 LYS HE2 H 1 2.950 0.000 . . . . . . A 16 LYS HE2 . 34604 1 198 . 1 . 1 19 19 LYS HE3 H 1 2.950 0.000 . . . . . . A 16 LYS HE3 . 34604 1 199 . 1 . 1 19 19 LYS CA C 13 59.448 0.000 . . . . . . A 16 LYS CA . 34604 1 200 . 1 . 1 19 19 LYS CB C 13 32.167 0.000 . . . . . . A 16 LYS CB . 34604 1 201 . 1 . 1 19 19 LYS CG C 13 24.604 0.006 . . . . . . A 16 LYS CG . 34604 1 202 . 1 . 1 19 19 LYS CD C 13 29.092 0.000 . . . . . . A 16 LYS CD . 34604 1 203 . 1 . 1 19 19 LYS CE C 13 41.967 0.000 . . . . . . A 16 LYS CE . 34604 1 204 . 1 . 1 19 19 LYS N N 15 118.711 0.000 . . . . . . A 16 LYS N . 34604 1 205 . 1 . 1 20 20 ARG H H 1 8.418 0.000 . . . . . . A 17 ARG H . 34604 1 206 . 1 . 1 20 20 ARG HA H 1 3.961 0.000 . . . . . . A 17 ARG HA . 34604 1 207 . 1 . 1 20 20 ARG HB2 H 1 1.935 0.000 . . . . . . A 17 ARG HB2 . 34604 1 208 . 1 . 1 20 20 ARG HB3 H 1 1.935 0.000 . . . . . . A 17 ARG HB3 . 34604 1 209 . 1 . 1 20 20 ARG HG2 H 1 1.707 0.000 . . . . . . A 17 ARG HG2 . 34604 1 210 . 1 . 1 20 20 ARG HG3 H 1 1.894 0.000 . . . . . . A 17 ARG HG3 . 34604 1 211 . 1 . 1 20 20 ARG HD2 H 1 3.063 0.000 . . . . . . A 17 ARG HD2 . 34604 1 212 . 1 . 1 20 20 ARG HD3 H 1 3.212 0.000 . . . . . . A 17 ARG HD3 . 34604 1 213 . 1 . 1 20 20 ARG CA C 13 59.100 0.000 . . . . . . A 17 ARG CA . 34604 1 214 . 1 . 1 20 20 ARG CB C 13 30.217 0.000 . . . . . . A 17 ARG CB . 34604 1 215 . 1 . 1 20 20 ARG CG C 13 27.640 0.017 . . . . . . A 17 ARG CG . 34604 1 216 . 1 . 1 20 20 ARG CD C 13 43.416 0.000 . . . . . . A 17 ARG CD . 34604 1 217 . 1 . 1 20 20 ARG N N 15 117.885 0.000 . . . . . . A 17 ARG N . 34604 1 218 . 1 . 1 21 21 CYS H H 1 8.556 0.000 . . . . . . A 18 CYS H . 34604 1 219 . 1 . 1 21 21 CYS HA H 1 3.912 0.000 . . . . . . A 18 CYS HA . 34604 1 220 . 1 . 1 21 21 CYS HB2 H 1 2.608 0.000 . . . . . . A 18 CYS HB2 . 34604 1 221 . 1 . 1 21 21 CYS HB3 H 1 3.124 0.000 . . . . . . A 18 CYS HB3 . 34604 1 222 . 1 . 1 21 21 CYS CA C 13 65.940 0.000 . . . . . . A 18 CYS CA . 34604 1 223 . 1 . 1 21 21 CYS CB C 13 27.441 0.039 . . . . . . A 18 CYS CB . 34604 1 224 . 1 . 1 21 21 CYS N N 15 118.550 0.000 . . . . . . A 18 CYS N . 34604 1 225 . 1 . 1 22 22 GLU H H 1 7.573 0.000 . . . . . . A 19 GLU H . 34604 1 226 . 1 . 1 22 22 GLU HA H 1 3.813 0.000 . . . . . . A 19 GLU HA . 34604 1 227 . 1 . 1 22 22 GLU HB2 H 1 1.928 0.000 . . . . . . A 19 GLU HB2 . 34604 1 228 . 1 . 1 22 22 GLU HB3 H 1 2.013 0.000 . . . . . . A 19 GLU HB3 . 34604 1 229 . 1 . 1 22 22 GLU HG2 H 1 1.933 0.000 . . . . . . A 19 GLU HG2 . 34604 1 230 . 1 . 1 22 22 GLU HG3 H 1 1.933 0.000 . . . . . . A 19 GLU HG3 . 34604 1 231 . 1 . 1 22 22 GLU CA C 13 58.231 0.000 . . . . . . A 19 GLU CA . 34604 1 232 . 1 . 1 22 22 GLU CB C 13 30.012 0.007 . . . . . . A 19 GLU CB . 34604 1 233 . 1 . 1 22 22 GLU CG C 13 36.334 0.000 . . . . . . A 19 GLU CG . 34604 1 234 . 1 . 1 22 22 GLU N N 15 118.021 0.000 . . . . . . A 19 GLU N . 34604 1 235 . 1 . 1 23 23 GLU H H 1 7.206 0.000 . . . . . . A 20 GLU H . 34604 1 236 . 1 . 1 23 23 GLU HA H 1 4.232 0.000 . . . . . . A 20 GLU HA . 34604 1 237 . 1 . 1 23 23 GLU HB2 H 1 1.960 0.000 . . . . . . A 20 GLU HB2 . 34604 1 238 . 1 . 1 23 23 GLU HB3 H 1 2.117 0.000 . . . . . . A 20 GLU HB3 . 34604 1 239 . 1 . 1 23 23 GLU HG2 H 1 2.217 0.000 . . . . . . A 20 GLU HG2 . 34604 1 240 . 1 . 1 23 23 GLU HG3 H 1 2.444 0.000 . . . . . . A 20 GLU HG3 . 34604 1 241 . 1 . 1 23 23 GLU CA C 13 55.691 0.000 . . . . . . A 20 GLU CA . 34604 1 242 . 1 . 1 23 23 GLU CB C 13 30.340 0.013 . . . . . . A 20 GLU CB . 34604 1 243 . 1 . 1 23 23 GLU CG C 13 36.256 0.004 . . . . . . A 20 GLU CG . 34604 1 244 . 1 . 1 23 23 GLU N N 15 115.422 0.000 . . . . . . A 20 GLU N . 34604 1 245 . 1 . 1 24 24 MET H H 1 6.977 0.000 . . . . . . A 21 MET H . 34604 1 246 . 1 . 1 24 24 MET HA H 1 4.275 0.000 . . . . . . A 21 MET HA . 34604 1 247 . 1 . 1 24 24 MET HB2 H 1 2.446 0.000 . . . . . . A 21 MET HB2 . 34604 1 248 . 1 . 1 24 24 MET HB3 H 1 2.446 0.000 . . . . . . A 21 MET HB3 . 34604 1 249 . 1 . 1 24 24 MET HG2 H 1 3.009 0.000 . . . . . . A 21 MET HG2 . 34604 1 250 . 1 . 1 24 24 MET HG3 H 1 2.929 0.000 . . . . . . A 21 MET HG3 . 34604 1 251 . 1 . 1 24 24 MET HE1 H 1 2.246 0.000 . . . . . . A 21 MET HE1 . 34604 1 252 . 1 . 1 24 24 MET HE2 H 1 2.246 0.000 . . . . . . A 21 MET HE2 . 34604 1 253 . 1 . 1 24 24 MET HE3 H 1 2.246 0.000 . . . . . . A 21 MET HE3 . 34604 1 254 . 1 . 1 24 24 MET CA C 13 56.428 0.000 . . . . . . A 21 MET CA . 34604 1 255 . 1 . 1 24 24 MET CB C 13 33.591 0.000 . . . . . . A 21 MET CB . 34604 1 256 . 1 . 1 24 24 MET CG C 13 33.127 0.001 . . . . . . A 21 MET CG . 34604 1 257 . 1 . 1 24 24 MET CE C 13 18.669 0.000 . . . . . . A 21 MET CE . 34604 1 258 . 1 . 1 24 24 MET N N 15 120.660 0.000 . . . . . . A 21 MET N . 34604 1 259 . 1 . 1 25 25 LYS H H 1 8.835 0.000 . . . . . . A 22 LYS H . 34604 1 260 . 1 . 1 25 25 LYS HA H 1 3.940 0.000 . . . . . . A 22 LYS HA . 34604 1 261 . 1 . 1 25 25 LYS HB2 H 1 1.274 0.000 . . . . . . A 22 LYS HB2 . 34604 1 262 . 1 . 1 25 25 LYS HB3 H 1 1.078 0.000 . . . . . . A 22 LYS HB3 . 34604 1 263 . 1 . 1 25 25 LYS HG2 H 1 1.356 0.000 . . . . . . A 22 LYS HG2 . 34604 1 264 . 1 . 1 25 25 LYS HG3 H 1 1.200 0.000 . . . . . . A 22 LYS HG3 . 34604 1 265 . 1 . 1 25 25 LYS HD2 H 1 1.591 0.000 . . . . . . A 22 LYS HD2 . 34604 1 266 . 1 . 1 25 25 LYS HD3 H 1 1.591 0.000 . . . . . . A 22 LYS HD3 . 34604 1 267 . 1 . 1 25 25 LYS HE2 H 1 2.975 0.000 . . . . . . A 22 LYS HE2 . 34604 1 268 . 1 . 1 25 25 LYS CA C 13 57.153 0.000 . . . . . . A 22 LYS CA . 34604 1 269 . 1 . 1 25 25 LYS CB C 13 33.531 0.000 . . . . . . A 22 LYS CB . 34604 1 270 . 1 . 1 25 25 LYS CG C 13 25.146 0.012 . . . . . . A 22 LYS CG . 34604 1 271 . 1 . 1 25 25 LYS CD C 13 28.947 0.000 . . . . . . A 22 LYS CD . 34604 1 272 . 1 . 1 25 25 LYS CE C 13 41.741 0.000 . . . . . . A 22 LYS CE . 34604 1 273 . 1 . 1 25 25 LYS N N 15 120.630 0.000 . . . . . . A 22 LYS N . 34604 1 274 . 1 . 1 26 26 TYR H H 1 7.341 0.000 . . . . . . A 23 TYR H . 34604 1 275 . 1 . 1 26 26 TYR HA H 1 4.924 0.000 . . . . . . A 23 TYR HA . 34604 1 276 . 1 . 1 26 26 TYR HB2 H 1 3.209 0.000 . . . . . . A 23 TYR HB2 . 34604 1 277 . 1 . 1 26 26 TYR HB3 H 1 2.817 0.000 . . . . . . A 23 TYR HB3 . 34604 1 278 . 1 . 1 26 26 TYR HD1 H 1 7.246 0.000 . . . . . . A 23 TYR HD1 . 34604 1 279 . 1 . 1 26 26 TYR HD2 H 1 7.246 0.000 . . . . . . A 23 TYR HD2 . 34604 1 280 . 1 . 1 26 26 TYR HE1 H 1 6.925 0.000 . . . . . . A 23 TYR HE1 . 34604 1 281 . 1 . 1 26 26 TYR HE2 H 1 6.925 0.000 . . . . . . A 23 TYR HE2 . 34604 1 282 . 1 . 1 26 26 TYR CA C 13 54.967 0.000 . . . . . . A 23 TYR CA . 34604 1 283 . 1 . 1 26 26 TYR CB C 13 41.807 0.016 . . . . . . A 23 TYR CB . 34604 1 284 . 1 . 1 26 26 TYR CD1 C 13 133.969 0.000 . . . . . . A 23 TYR CD1 . 34604 1 285 . 1 . 1 26 26 TYR CD2 C 13 133.969 0.000 . . . . . . A 23 TYR CD2 . 34604 1 286 . 1 . 1 26 26 TYR CE1 C 13 118.131 0.000 . . . . . . A 23 TYR CE1 . 34604 1 287 . 1 . 1 26 26 TYR CE2 C 13 118.131 0.000 . . . . . . A 23 TYR CE2 . 34604 1 288 . 1 . 1 26 26 TYR N N 15 115.786 0.000 . . . . . . A 23 TYR N . 34604 1 289 . 1 . 1 27 27 CYS H H 1 8.776 0.000 . . . . . . A 24 CYS H . 34604 1 290 . 1 . 1 27 27 CYS HA H 1 3.733 0.000 . . . . . . A 24 CYS HA . 34604 1 291 . 1 . 1 27 27 CYS HB2 H 1 2.918 0.000 . . . . . . A 24 CYS HB2 . 34604 1 292 . 1 . 1 27 27 CYS HB3 H 1 2.836 0.000 . . . . . . A 24 CYS HB3 . 34604 1 293 . 1 . 1 27 27 CYS CA C 13 60.396 0.000 . . . . . . A 24 CYS CA . 34604 1 294 . 1 . 1 27 27 CYS CB C 13 25.870 0.007 . . . . . . A 24 CYS CB . 34604 1 295 . 1 . 1 27 27 CYS N N 15 114.041 0.000 . . . . . . A 24 CYS N . 34604 1 296 . 1 . 1 28 28 LYS H H 1 8.123 0.000 . . . . . . A 25 LYS H . 34604 1 297 . 1 . 1 28 28 LYS HA H 1 3.605 0.000 . . . . . . A 25 LYS HA . 34604 1 298 . 1 . 1 28 28 LYS HB2 H 1 1.643 0.000 . . . . . . A 25 LYS HB2 . 34604 1 299 . 1 . 1 28 28 LYS HB3 H 1 1.696 0.000 . . . . . . A 25 LYS HB3 . 34604 1 300 . 1 . 1 28 28 LYS HG2 H 1 1.195 0.000 . . . . . . A 25 LYS HG2 . 34604 1 301 . 1 . 1 28 28 LYS HG3 H 1 1.241 0.000 . . . . . . A 25 LYS HG3 . 34604 1 302 . 1 . 1 28 28 LYS HE2 H 1 2.935 0.000 . . . . . . A 25 LYS HE2 . 34604 1 303 . 1 . 1 28 28 LYS CA C 13 60.631 0.000 . . . . . . A 25 LYS CA . 34604 1 304 . 1 . 1 28 28 LYS CB C 13 33.263 0.012 . . . . . . A 25 LYS CB . 34604 1 305 . 1 . 1 28 28 LYS CG C 13 25.856 0.004 . . . . . . A 25 LYS CG . 34604 1 306 . 1 . 1 28 28 LYS CE C 13 41.476 0.000 . . . . . . A 25 LYS CE . 34604 1 307 . 1 . 1 28 28 LYS N N 15 115.926 0.000 . . . . . . A 25 LYS N . 34604 1 308 . 1 . 1 29 29 LYS H H 1 10.611 0.000 . . . . . . A 26 LYS H . 34604 1 309 . 1 . 1 29 29 LYS HA H 1 4.001 0.000 . . . . . . A 26 LYS HA . 34604 1 310 . 1 . 1 29 29 LYS HB2 H 1 1.734 0.000 . . . . . . A 26 LYS HB2 . 34604 1 311 . 1 . 1 29 29 LYS HB3 H 1 2.160 0.000 . . . . . . A 26 LYS HB3 . 34604 1 312 . 1 . 1 29 29 LYS HG2 H 1 1.471 0.000 . . . . . . A 26 LYS HG2 . 34604 1 313 . 1 . 1 29 29 LYS HG3 H 1 1.471 0.000 . . . . . . A 26 LYS HG3 . 34604 1 314 . 1 . 1 29 29 LYS HE2 H 1 3.250 0.000 . . . . . . A 26 LYS HE2 . 34604 1 315 . 1 . 1 29 29 LYS HE3 H 1 3.250 0.000 . . . . . . A 26 LYS HE3 . 34604 1 316 . 1 . 1 29 29 LYS CA C 13 58.966 0.000 . . . . . . A 26 LYS CA . 34604 1 317 . 1 . 1 29 29 LYS CB C 13 30.208 0.014 . . . . . . A 26 LYS CB . 34604 1 318 . 1 . 1 29 29 LYS CG C 13 24.735 0.004 . . . . . . A 26 LYS CG . 34604 1 319 . 1 . 1 29 29 LYS CE C 13 43.577 0.000 . . . . . . A 26 LYS CE . 34604 1 320 . 1 . 1 29 29 LYS N N 15 120.889 0.000 . . . . . . A 26 LYS N . 34604 1 321 . 1 . 1 30 30 GLN H H 1 9.935 0.000 . . . . . . A 27 GLN H . 34604 1 322 . 1 . 1 30 30 GLN HA H 1 3.999 0.000 . . . . . . A 27 GLN HA . 34604 1 323 . 1 . 1 30 30 GLN HE21 H 1 9.337 0.000 . . . . . . A 27 GLN HE21 . 34604 1 324 . 1 . 1 30 30 GLN HE22 H 1 7.156 0.000 . . . . . . A 27 GLN HE22 . 34604 1 325 . 1 . 1 30 30 GLN CA C 13 59.320 0.000 . . . . . . A 27 GLN CA . 34604 1 326 . 1 . 1 30 30 GLN N N 15 120.547 0.000 . . . . . . A 27 GLN N . 34604 1 327 . 1 . 1 30 30 GLN NE2 N 15 112.120 0.007 . . . . . . A 27 GLN NE2 . 34604 1 328 . 1 . 1 31 31 CYS H H 1 8.585 0.000 . . . . . . A 28 CYS H . 34604 1 329 . 1 . 1 31 31 CYS HA H 1 4.223 0.000 . . . . . . A 28 CYS HA . 34604 1 330 . 1 . 1 31 31 CYS HB2 H 1 2.951 0.000 . . . . . . A 28 CYS HB2 . 34604 1 331 . 1 . 1 31 31 CYS HB3 H 1 2.778 0.000 . . . . . . A 28 CYS HB3 . 34604 1 332 . 1 . 1 31 31 CYS CA C 13 64.406 0.000 . . . . . . A 28 CYS CA . 34604 1 333 . 1 . 1 31 31 CYS CB C 13 26.694 0.024 . . . . . . A 28 CYS CB . 34604 1 334 . 1 . 1 31 31 CYS N N 15 119.110 0.000 . . . . . . A 28 CYS N . 34604 1 335 . 1 . 1 32 32 ARG H H 1 8.752 0.000 . . . . . . A 29 ARG H . 34604 1 336 . 1 . 1 32 32 ARG HA H 1 3.884 0.000 . . . . . . A 29 ARG HA . 34604 1 337 . 1 . 1 32 32 ARG HB2 H 1 1.818 0.000 . . . . . . A 29 ARG HB2 . 34604 1 338 . 1 . 1 32 32 ARG HB3 H 1 1.497 0.000 . . . . . . A 29 ARG HB3 . 34604 1 339 . 1 . 1 32 32 ARG CA C 13 59.387 0.000 . . . . . . A 29 ARG CA . 34604 1 340 . 1 . 1 32 32 ARG CB C 13 28.494 0.011 . . . . . . A 29 ARG CB . 34604 1 341 . 1 . 1 32 32 ARG N N 15 119.190 0.000 . . . . . . A 29 ARG N . 34604 1 342 . 1 . 1 33 33 ARG H H 1 7.835 0.000 . . . . . . A 30 ARG H . 34604 1 343 . 1 . 1 33 33 ARG HA H 1 3.909 0.000 . . . . . . A 30 ARG HA . 34604 1 344 . 1 . 1 33 33 ARG CA C 13 58.235 0.000 . . . . . . A 30 ARG CA . 34604 1 345 . 1 . 1 33 33 ARG N N 15 119.864 0.000 . . . . . . A 30 ARG N . 34604 1 346 . 1 . 1 34 34 LEU H H 1 7.329 0.000 . . . . . . A 31 LEU H . 34604 1 347 . 1 . 1 34 34 LEU HA H 1 4.068 0.000 . . . . . . A 31 LEU HA . 34604 1 348 . 1 . 1 34 34 LEU HB2 H 1 1.784 0.000 . . . . . . A 31 LEU HB2 . 34604 1 349 . 1 . 1 34 34 LEU HB3 H 1 0.998 0.000 . . . . . . A 31 LEU HB3 . 34604 1 350 . 1 . 1 34 34 LEU HG H 1 0.978 0.000 . . . . . . A 31 LEU HG . 34604 1 351 . 1 . 1 34 34 LEU HD11 H 1 -0.254 0.000 . . . . . . A 31 LEU HD11 . 34604 1 352 . 1 . 1 34 34 LEU HD12 H 1 -0.254 0.000 . . . . . . A 31 LEU HD12 . 34604 1 353 . 1 . 1 34 34 LEU HD13 H 1 -0.254 0.000 . . . . . . A 31 LEU HD13 . 34604 1 354 . 1 . 1 34 34 LEU HD21 H 1 0.508 0.000 . . . . . . A 31 LEU HD21 . 34604 1 355 . 1 . 1 34 34 LEU HD22 H 1 0.508 0.000 . . . . . . A 31 LEU HD22 . 34604 1 356 . 1 . 1 34 34 LEU HD23 H 1 0.508 0.000 . . . . . . A 31 LEU HD23 . 34604 1 357 . 1 . 1 34 34 LEU CA C 13 58.383 0.000 . . . . . . A 31 LEU CA . 34604 1 358 . 1 . 1 34 34 LEU CB C 13 40.174 0.001 . . . . . . A 31 LEU CB . 34604 1 359 . 1 . 1 34 34 LEU CG C 13 27.033 0.000 . . . . . . A 31 LEU CG . 34604 1 360 . 1 . 1 34 34 LEU CD1 C 13 25.041 0.000 . . . . . . A 31 LEU CD1 . 34604 1 361 . 1 . 1 34 34 LEU CD2 C 13 22.524 0.000 . . . . . . A 31 LEU CD2 . 34604 1 362 . 1 . 1 34 34 LEU N N 15 120.726 0.000 . . . . . . A 31 LEU N . 34604 1 363 . 1 . 1 35 35 GLY H H 1 8.001 0.000 . . . . . . A 32 GLY H . 34604 1 364 . 1 . 1 35 35 GLY HA2 H 1 3.456 0.000 . . . . . . A 32 GLY HA2 . 34604 1 365 . 1 . 1 35 35 GLY HA3 H 1 4.075 0.000 . . . . . . A 32 GLY HA3 . 34604 1 366 . 1 . 1 35 35 GLY CA C 13 48.509 0.021 . . . . . . A 32 GLY CA . 34604 1 367 . 1 . 1 35 35 GLY N N 15 105.449 0.000 . . . . . . A 32 GLY N . 34604 1 368 . 1 . 1 36 36 HIS H H 1 8.420 0.000 . . . . . . A 33 HIS H . 34604 1 369 . 1 . 1 36 36 HIS HA H 1 4.229 0.000 . . . . . . A 33 HIS HA . 34604 1 370 . 1 . 1 36 36 HIS HB2 H 1 3.128 0.000 . . . . . . A 33 HIS HB2 . 34604 1 371 . 1 . 1 36 36 HIS HB3 H 1 3.186 0.000 . . . . . . A 33 HIS HB3 . 34604 1 372 . 1 . 1 36 36 HIS HD2 H 1 6.956 0.000 . . . . . . A 33 HIS HD2 . 34604 1 373 . 1 . 1 36 36 HIS HE1 H 1 7.807 0.000 . . . . . . A 33 HIS HE1 . 34604 1 374 . 1 . 1 36 36 HIS CA C 13 59.708 0.000 . . . . . . A 33 HIS CA . 34604 1 375 . 1 . 1 36 36 HIS CB C 13 30.616 0.002 . . . . . . A 33 HIS CB . 34604 1 376 . 1 . 1 36 36 HIS CD2 C 13 119.278 0.000 . . . . . . A 33 HIS CD2 . 34604 1 377 . 1 . 1 36 36 HIS CE1 C 13 138.093 0.000 . . . . . . A 33 HIS CE1 . 34604 1 378 . 1 . 1 36 36 HIS N N 15 120.900 0.000 . . . . . . A 33 HIS N . 34604 1 379 . 1 . 1 37 37 ARG H H 1 8.678 0.000 . . . . . . A 34 ARG H . 34604 1 380 . 1 . 1 37 37 ARG HA H 1 3.900 0.000 . . . . . . A 34 ARG HA . 34604 1 381 . 1 . 1 37 37 ARG CA C 13 59.485 0.000 . . . . . . A 34 ARG CA . 34604 1 382 . 1 . 1 37 37 ARG N N 15 122.033 0.000 . . . . . . A 34 ARG N . 34604 1 383 . 1 . 1 38 38 VAL H H 1 8.542 0.000 . . . . . . A 35 VAL H . 34604 1 384 . 1 . 1 38 38 VAL HA H 1 3.405 0.000 . . . . . . A 35 VAL HA . 34604 1 385 . 1 . 1 38 38 VAL HB H 1 2.136 0.000 . . . . . . A 35 VAL HB . 34604 1 386 . 1 . 1 38 38 VAL HG11 H 1 0.902 0.000 . . . . . . A 35 VAL HG11 . 34604 1 387 . 1 . 1 38 38 VAL HG12 H 1 0.902 0.000 . . . . . . A 35 VAL HG12 . 34604 1 388 . 1 . 1 38 38 VAL HG13 H 1 0.902 0.000 . . . . . . A 35 VAL HG13 . 34604 1 389 . 1 . 1 38 38 VAL HG21 H 1 0.869 0.000 . . . . . . A 35 VAL HG21 . 34604 1 390 . 1 . 1 38 38 VAL HG22 H 1 0.869 0.000 . . . . . . A 35 VAL HG22 . 34604 1 391 . 1 . 1 38 38 VAL HG23 H 1 0.869 0.000 . . . . . . A 35 VAL HG23 . 34604 1 392 . 1 . 1 38 38 VAL CA C 13 67.999 0.000 . . . . . . A 35 VAL CA . 34604 1 393 . 1 . 1 38 38 VAL CB C 13 31.247 0.000 . . . . . . A 35 VAL CB . 34604 1 394 . 1 . 1 38 38 VAL CG1 C 13 22.779 0.000 . . . . . . A 35 VAL CG1 . 34604 1 395 . 1 . 1 38 38 VAL CG2 C 13 23.883 0.000 . . . . . . A 35 VAL CG2 . 34604 1 396 . 1 . 1 38 38 VAL N N 15 118.947 0.000 . . . . . . A 35 VAL N . 34604 1 397 . 1 . 1 39 39 LEU H H 1 8.032 0.000 . . . . . . A 36 LEU H . 34604 1 398 . 1 . 1 39 39 LEU HA H 1 3.896 0.000 . . . . . . A 36 LEU HA . 34604 1 399 . 1 . 1 39 39 LEU HB2 H 1 1.498 0.000 . . . . . . A 36 LEU HB2 . 34604 1 400 . 1 . 1 39 39 LEU HB3 H 1 1.413 0.000 . . . . . . A 36 LEU HB3 . 34604 1 401 . 1 . 1 39 39 LEU HG H 1 1.502 0.000 . . . . . . A 36 LEU HG . 34604 1 402 . 1 . 1 39 39 LEU HD11 H 1 0.288 0.000 . . . . . . A 36 LEU HD11 . 34604 1 403 . 1 . 1 39 39 LEU HD12 H 1 0.288 0.000 . . . . . . A 36 LEU HD12 . 34604 1 404 . 1 . 1 39 39 LEU HD13 H 1 0.288 0.000 . . . . . . A 36 LEU HD13 . 34604 1 405 . 1 . 1 39 39 LEU HD21 H 1 0.361 0.000 . . . . . . A 36 LEU HD21 . 34604 1 406 . 1 . 1 39 39 LEU HD22 H 1 0.361 0.000 . . . . . . A 36 LEU HD22 . 34604 1 407 . 1 . 1 39 39 LEU HD23 H 1 0.361 0.000 . . . . . . A 36 LEU HD23 . 34604 1 408 . 1 . 1 39 39 LEU CA C 13 57.892 0.000 . . . . . . A 36 LEU CA . 34604 1 409 . 1 . 1 39 39 LEU CB C 13 41.448 0.005 . . . . . . A 36 LEU CB . 34604 1 410 . 1 . 1 39 39 LEU CG C 13 26.045 0.000 . . . . . . A 36 LEU CG . 34604 1 411 . 1 . 1 39 39 LEU CD1 C 13 23.653 0.000 . . . . . . A 36 LEU CD1 . 34604 1 412 . 1 . 1 39 39 LEU CD2 C 13 22.738 0.000 . . . . . . A 36 LEU CD2 . 34604 1 413 . 1 . 1 39 39 LEU N N 15 118.697 0.000 . . . . . . A 36 LEU N . 34604 1 414 . 1 . 1 40 40 GLY H H 1 7.776 0.000 . . . . . . A 37 GLY H . 34604 1 415 . 1 . 1 40 40 GLY HA2 H 1 3.757 0.000 . . . . . . A 37 GLY HA2 . 34604 1 416 . 1 . 1 40 40 GLY HA3 H 1 3.802 0.000 . . . . . . A 37 GLY HA3 . 34604 1 417 . 1 . 1 40 40 GLY CA C 13 46.571 0.003 . . . . . . A 37 GLY CA . 34604 1 418 . 1 . 1 40 40 GLY N N 15 104.745 0.000 . . . . . . A 37 GLY N . 34604 1 419 . 1 . 1 41 41 LEU H H 1 7.699 0.000 . . . . . . A 38 LEU H . 34604 1 420 . 1 . 1 41 41 LEU HA H 1 3.555 0.000 . . . . . . A 38 LEU HA . 34604 1 421 . 1 . 1 41 41 LEU HB2 H 1 0.926 0.000 . . . . . . A 38 LEU HB2 . 34604 1 422 . 1 . 1 41 41 LEU HB3 H 1 1.860 0.000 . . . . . . A 38 LEU HB3 . 34604 1 423 . 1 . 1 41 41 LEU HG H 1 1.849 0.000 . . . . . . A 38 LEU HG . 34604 1 424 . 1 . 1 41 41 LEU HD11 H 1 -0.183 0.000 . . . . . . A 38 LEU HD11 . 34604 1 425 . 1 . 1 41 41 LEU HD12 H 1 -0.183 0.000 . . . . . . A 38 LEU HD12 . 34604 1 426 . 1 . 1 41 41 LEU HD13 H 1 -0.183 0.000 . . . . . . A 38 LEU HD13 . 34604 1 427 . 1 . 1 41 41 LEU HD21 H 1 0.811 0.000 . . . . . . A 38 LEU HD21 . 34604 1 428 . 1 . 1 41 41 LEU HD22 H 1 0.811 0.000 . . . . . . A 38 LEU HD22 . 34604 1 429 . 1 . 1 41 41 LEU HD23 H 1 0.811 0.000 . . . . . . A 38 LEU HD23 . 34604 1 430 . 1 . 1 41 41 LEU CA C 13 56.417 0.000 . . . . . . A 38 LEU CA . 34604 1 431 . 1 . 1 41 41 LEU CB C 13 41.532 0.150 . . . . . . A 38 LEU CB . 34604 1 432 . 1 . 1 41 41 LEU CG C 13 25.546 0.000 . . . . . . A 38 LEU CG . 34604 1 433 . 1 . 1 41 41 LEU CD1 C 13 20.523 0.000 . . . . . . A 38 LEU CD1 . 34604 1 434 . 1 . 1 41 41 LEU CD2 C 13 26.096 0.000 . . . . . . A 38 LEU CD2 . 34604 1 435 . 1 . 1 41 41 LEU N N 15 120.767 0.000 . . . . . . A 38 LEU N . 34604 1 436 . 1 . 1 42 42 ILE H H 1 7.592 0.000 . . . . . . A 39 ILE H . 34604 1 437 . 1 . 1 42 42 ILE HA H 1 4.260 0.000 . . . . . . A 39 ILE HA . 34604 1 438 . 1 . 1 42 42 ILE HB H 1 2.157 0.000 . . . . . . A 39 ILE HB . 34604 1 439 . 1 . 1 42 42 ILE HG12 H 1 1.501 0.000 . . . . . . A 39 ILE HG12 . 34604 1 440 . 1 . 1 42 42 ILE HG13 H 1 1.748 0.000 . . . . . . A 39 ILE HG13 . 34604 1 441 . 1 . 1 42 42 ILE HG21 H 1 1.090 0.000 . . . . . . A 39 ILE HG21 . 34604 1 442 . 1 . 1 42 42 ILE HG22 H 1 1.090 0.000 . . . . . . A 39 ILE HG22 . 34604 1 443 . 1 . 1 42 42 ILE HG23 H 1 1.090 0.000 . . . . . . A 39 ILE HG23 . 34604 1 444 . 1 . 1 42 42 ILE HD11 H 1 0.945 0.000 . . . . . . A 39 ILE HD11 . 34604 1 445 . 1 . 1 42 42 ILE HD12 H 1 0.945 0.000 . . . . . . A 39 ILE HD12 . 34604 1 446 . 1 . 1 42 42 ILE HD13 H 1 0.945 0.000 . . . . . . A 39 ILE HD13 . 34604 1 447 . 1 . 1 42 42 ILE CA C 13 62.124 0.000 . . . . . . A 39 ILE CA . 34604 1 448 . 1 . 1 42 42 ILE CB C 13 38.312 0.000 . . . . . . A 39 ILE CB . 34604 1 449 . 1 . 1 42 42 ILE CG1 C 13 27.798 0.003 . . . . . . A 39 ILE CG1 . 34604 1 450 . 1 . 1 42 42 ILE CG2 C 13 19.035 0.000 . . . . . . A 39 ILE CG2 . 34604 1 451 . 1 . 1 42 42 ILE CD1 C 13 14.006 0.000 . . . . . . A 39 ILE CD1 . 34604 1 452 . 1 . 1 42 42 ILE N N 15 108.684 0.000 . . . . . . A 39 ILE N . 34604 1 453 . 1 . 1 43 43 LYS H H 1 7.699 0.000 . . . . . . A 40 LYS H . 34604 1 454 . 1 . 1 43 43 LYS HA H 1 4.468 0.000 . . . . . . A 40 LYS HA . 34604 1 455 . 1 . 1 43 43 LYS HB2 H 1 1.945 0.000 . . . . . . A 40 LYS HB2 . 34604 1 456 . 1 . 1 43 43 LYS HB3 H 1 2.000 0.000 . . . . . . A 40 LYS HB3 . 34604 1 457 . 1 . 1 43 43 LYS HG2 H 1 1.500 0.000 . . . . . . A 40 LYS HG2 . 34604 1 458 . 1 . 1 43 43 LYS HG3 H 1 1.539 0.000 . . . . . . A 40 LYS HG3 . 34604 1 459 . 1 . 1 43 43 LYS HD2 H 1 1.698 0.000 . . . . . . A 40 LYS HD2 . 34604 1 460 . 1 . 1 43 43 LYS HD3 H 1 1.698 0.000 . . . . . . A 40 LYS HD3 . 34604 1 461 . 1 . 1 43 43 LYS HE2 H 1 2.898 0.000 . . . . . . A 40 LYS HE2 . 34604 1 462 . 1 . 1 43 43 LYS HE3 H 1 2.898 0.000 . . . . . . A 40 LYS HE3 . 34604 1 463 . 1 . 1 43 43 LYS CA C 13 60.606 0.000 . . . . . . A 40 LYS CA . 34604 1 464 . 1 . 1 43 43 LYS CB C 13 29.247 0.001 . . . . . . A 40 LYS CB . 34604 1 465 . 1 . 1 43 43 LYS CG C 13 24.849 0.003 . . . . . . A 40 LYS CG . 34604 1 466 . 1 . 1 43 43 LYS CD C 13 28.440 0.000 . . . . . . A 40 LYS CD . 34604 1 467 . 1 . 1 43 43 LYS CE C 13 41.834 0.000 . . . . . . A 40 LYS CE . 34604 1 468 . 1 . 1 43 43 LYS N N 15 123.061 0.000 . . . . . . A 40 LYS N . 34604 1 469 . 1 . 1 44 44 PRO HA H 1 4.406 0.000 . . . . . . A 41 PRO HA . 34604 1 470 . 1 . 1 44 44 PRO HB2 H 1 2.460 0.000 . . . . . . A 41 PRO HB2 . 34604 1 471 . 1 . 1 44 44 PRO HB3 H 1 1.844 0.000 . . . . . . A 41 PRO HB3 . 34604 1 472 . 1 . 1 44 44 PRO HG2 H 1 2.086 0.000 . . . . . . A 41 PRO HG2 . 34604 1 473 . 1 . 1 44 44 PRO HG3 H 1 2.188 0.000 . . . . . . A 41 PRO HG3 . 34604 1 474 . 1 . 1 44 44 PRO HD2 H 1 3.536 0.000 . . . . . . A 41 PRO HD2 . 34604 1 475 . 1 . 1 44 44 PRO HD3 H 1 3.837 0.000 . . . . . . A 41 PRO HD3 . 34604 1 476 . 1 . 1 44 44 PRO CA C 13 65.675 0.000 . . . . . . A 41 PRO CA . 34604 1 477 . 1 . 1 44 44 PRO CB C 13 31.562 0.004 . . . . . . A 41 PRO CB . 34604 1 478 . 1 . 1 44 44 PRO CG C 13 28.392 0.038 . . . . . . A 41 PRO CG . 34604 1 479 . 1 . 1 44 44 PRO CD C 13 50.412 0.009 . . . . . . A 41 PRO CD . 34604 1 480 . 1 . 1 45 45 LEU H H 1 7.087 0.000 . . . . . . A 42 LEU H . 34604 1 481 . 1 . 1 45 45 LEU HA H 1 4.076 0.000 . . . . . . A 42 LEU HA . 34604 1 482 . 1 . 1 45 45 LEU HB2 H 1 1.452 0.000 . . . . . . A 42 LEU HB2 . 34604 1 483 . 1 . 1 45 45 LEU HB3 H 1 2.264 0.000 . . . . . . A 42 LEU HB3 . 34604 1 484 . 1 . 1 45 45 LEU HG H 1 2.030 0.000 . . . . . . A 42 LEU HG . 34604 1 485 . 1 . 1 45 45 LEU HD11 H 1 0.995 0.000 . . . . . . A 42 LEU HD11 . 34604 1 486 . 1 . 1 45 45 LEU HD12 H 1 0.995 0.000 . . . . . . A 42 LEU HD12 . 34604 1 487 . 1 . 1 45 45 LEU HD13 H 1 0.995 0.000 . . . . . . A 42 LEU HD13 . 34604 1 488 . 1 . 1 45 45 LEU HD21 H 1 0.834 0.000 . . . . . . A 42 LEU HD21 . 34604 1 489 . 1 . 1 45 45 LEU HD22 H 1 0.834 0.000 . . . . . . A 42 LEU HD22 . 34604 1 490 . 1 . 1 45 45 LEU HD23 H 1 0.834 0.000 . . . . . . A 42 LEU HD23 . 34604 1 491 . 1 . 1 45 45 LEU CA C 13 57.291 0.000 . . . . . . A 42 LEU CA . 34604 1 492 . 1 . 1 45 45 LEU CB C 13 40.294 0.001 . . . . . . A 42 LEU CB . 34604 1 493 . 1 . 1 45 45 LEU CG C 13 27.204 0.000 . . . . . . A 42 LEU CG . 34604 1 494 . 1 . 1 45 45 LEU CD1 C 13 26.180 0.000 . . . . . . A 42 LEU CD1 . 34604 1 495 . 1 . 1 45 45 LEU CD2 C 13 23.273 0.000 . . . . . . A 42 LEU CD2 . 34604 1 496 . 1 . 1 45 45 LEU N N 15 114.812 0.000 . . . . . . A 42 LEU N . 34604 1 497 . 1 . 1 46 46 GLU H H 1 8.249 0.000 . . . . . . A 43 GLU H . 34604 1 498 . 1 . 1 46 46 GLU HA H 1 3.929 0.000 . . . . . . A 43 GLU HA . 34604 1 499 . 1 . 1 46 46 GLU HB2 H 1 2.311 0.000 . . . . . . A 43 GLU HB2 . 34604 1 500 . 1 . 1 46 46 GLU HB3 H 1 2.091 0.000 . . . . . . A 43 GLU HB3 . 34604 1 501 . 1 . 1 46 46 GLU HG2 H 1 2.421 0.000 . . . . . . A 43 GLU HG2 . 34604 1 502 . 1 . 1 46 46 GLU HG3 H 1 2.131 0.000 . . . . . . A 43 GLU HG3 . 34604 1 503 . 1 . 1 46 46 GLU CA C 13 59.520 0.000 . . . . . . A 43 GLU CA . 34604 1 504 . 1 . 1 46 46 GLU CB C 13 30.138 0.006 . . . . . . A 43 GLU CB . 34604 1 505 . 1 . 1 46 46 GLU CG C 13 37.853 0.003 . . . . . . A 43 GLU CG . 34604 1 506 . 1 . 1 46 46 GLU N N 15 119.479 0.000 . . . . . . A 43 GLU N . 34604 1 507 . 1 . 1 47 47 MET H H 1 7.666 0.000 . . . . . . A 44 MET H . 34604 1 508 . 1 . 1 47 47 MET HA H 1 4.310 0.000 . . . . . . A 44 MET HA . 34604 1 509 . 1 . 1 47 47 MET HB2 H 1 2.190 0.000 . . . . . . A 44 MET HB2 . 34604 1 510 . 1 . 1 47 47 MET HB3 H 1 2.226 0.000 . . . . . . A 44 MET HB3 . 34604 1 511 . 1 . 1 47 47 MET HG2 H 1 2.750 0.000 . . . . . . A 44 MET HG2 . 34604 1 512 . 1 . 1 47 47 MET HG3 H 1 2.620 0.000 . . . . . . A 44 MET HG3 . 34604 1 513 . 1 . 1 47 47 MET HE1 H 1 2.105 0.000 . . . . . . A 44 MET HE1 . 34604 1 514 . 1 . 1 47 47 MET HE2 H 1 2.105 0.000 . . . . . . A 44 MET HE2 . 34604 1 515 . 1 . 1 47 47 MET HE3 H 1 2.105 0.000 . . . . . . A 44 MET HE3 . 34604 1 516 . 1 . 1 47 47 MET CA C 13 57.533 0.000 . . . . . . A 44 MET CA . 34604 1 517 . 1 . 1 47 47 MET CB C 13 32.331 0.008 . . . . . . A 44 MET CB . 34604 1 518 . 1 . 1 47 47 MET CG C 13 32.091 0.002 . . . . . . A 44 MET CG . 34604 1 519 . 1 . 1 47 47 MET CE C 13 16.911 0.000 . . . . . . A 44 MET CE . 34604 1 520 . 1 . 1 47 47 MET N N 15 116.492 0.000 . . . . . . A 44 MET N . 34604 1 521 . 1 . 1 48 48 LEU H H 1 7.630 0.000 . . . . . . A 45 LEU H . 34604 1 522 . 1 . 1 48 48 LEU HA H 1 4.206 0.000 . . . . . . A 45 LEU HA . 34604 1 523 . 1 . 1 48 48 LEU HB2 H 1 1.709 0.000 . . . . . . A 45 LEU HB2 . 34604 1 524 . 1 . 1 48 48 LEU HB3 H 1 1.887 0.000 . . . . . . A 45 LEU HB3 . 34604 1 525 . 1 . 1 48 48 LEU HG H 1 1.891 0.000 . . . . . . A 45 LEU HG . 34604 1 526 . 1 . 1 48 48 LEU HD11 H 1 0.931 0.000 . . . . . . A 45 LEU HD11 . 34604 1 527 . 1 . 1 48 48 LEU HD12 H 1 0.931 0.000 . . . . . . A 45 LEU HD12 . 34604 1 528 . 1 . 1 48 48 LEU HD13 H 1 0.931 0.000 . . . . . . A 45 LEU HD13 . 34604 1 529 . 1 . 1 48 48 LEU HD21 H 1 0.896 0.000 . . . . . . A 45 LEU HD21 . 34604 1 530 . 1 . 1 48 48 LEU HD22 H 1 0.896 0.000 . . . . . . A 45 LEU HD22 . 34604 1 531 . 1 . 1 48 48 LEU HD23 H 1 0.896 0.000 . . . . . . A 45 LEU HD23 . 34604 1 532 . 1 . 1 48 48 LEU CA C 13 56.580 0.000 . . . . . . A 45 LEU CA . 34604 1 533 . 1 . 1 48 48 LEU CB C 13 41.967 0.004 . . . . . . A 45 LEU CB . 34604 1 534 . 1 . 1 48 48 LEU CG C 13 26.692 0.000 . . . . . . A 45 LEU CG . 34604 1 535 . 1 . 1 48 48 LEU CD1 C 13 26.314 0.000 . . . . . . A 45 LEU CD1 . 34604 1 536 . 1 . 1 48 48 LEU CD2 C 13 23.940 0.000 . . . . . . A 45 LEU CD2 . 34604 1 537 . 1 . 1 48 48 LEU N N 15 120.011 0.000 . . . . . . A 45 LEU N . 34604 1 538 . 1 . 1 49 49 GLN H H 1 8.017 0.000 . . . . . . A 46 GLN H . 34604 1 539 . 1 . 1 49 49 GLN HA H 1 4.086 0.000 . . . . . . A 46 GLN HA . 34604 1 540 . 1 . 1 49 49 GLN HB2 H 1 2.201 0.000 . . . . . . A 46 GLN HB2 . 34604 1 541 . 1 . 1 49 49 GLN HB3 H 1 2.068 0.000 . . . . . . A 46 GLN HB3 . 34604 1 542 . 1 . 1 49 49 GLN HG2 H 1 2.314 0.000 . . . . . . A 46 GLN HG2 . 34604 1 543 . 1 . 1 49 49 GLN HG3 H 1 2.334 0.000 . . . . . . A 46 GLN HG3 . 34604 1 544 . 1 . 1 49 49 GLN HE21 H 1 6.855 0.000 . . . . . . A 46 GLN HE21 . 34604 1 545 . 1 . 1 49 49 GLN HE22 H 1 7.586 0.000 . . . . . . A 46 GLN HE22 . 34604 1 546 . 1 . 1 49 49 GLN CA C 13 58.075 0.000 . . . . . . A 46 GLN CA . 34604 1 547 . 1 . 1 49 49 GLN CB C 13 29.272 0.005 . . . . . . A 46 GLN CB . 34604 1 548 . 1 . 1 49 49 GLN CG C 13 34.484 0.004 . . . . . . A 46 GLN CG . 34604 1 549 . 1 . 1 49 49 GLN N N 15 119.579 0.000 . . . . . . A 46 GLN N . 34604 1 550 . 1 . 1 49 49 GLN NE2 N 15 110.606 0.002 . . . . . . A 46 GLN NE2 . 34604 1 551 . 1 . 1 50 50 ASP H H 1 8.158 0.000 . . . . . . A 47 ASP H . 34604 1 552 . 1 . 1 50 50 ASP HA H 1 4.555 0.000 . . . . . . A 47 ASP HA . 34604 1 553 . 1 . 1 50 50 ASP HB2 H 1 2.683 0.000 . . . . . . A 47 ASP HB2 . 34604 1 554 . 1 . 1 50 50 ASP HB3 H 1 2.740 0.000 . . . . . . A 47 ASP HB3 . 34604 1 555 . 1 . 1 50 50 ASP CA C 13 55.249 0.000 . . . . . . A 47 ASP CA . 34604 1 556 . 1 . 1 50 50 ASP CB C 13 41.079 0.001 . . . . . . A 47 ASP CB . 34604 1 557 . 1 . 1 50 50 ASP N N 15 119.520 0.000 . . . . . . A 47 ASP N . 34604 1 558 . 1 . 1 51 51 GLN H H 1 8.170 0.000 . . . . . . A 48 GLN H . 34604 1 559 . 1 . 1 51 51 GLN HA H 1 4.234 0.000 . . . . . . A 48 GLN HA . 34604 1 560 . 1 . 1 51 51 GLN HB2 H 1 2.077 0.000 . . . . . . A 48 GLN HB2 . 34604 1 561 . 1 . 1 51 51 GLN HB3 H 1 2.213 0.000 . . . . . . A 48 GLN HB3 . 34604 1 562 . 1 . 1 51 51 GLN HG2 H 1 2.466 0.000 . . . . . . A 48 GLN HG2 . 34604 1 563 . 1 . 1 51 51 GLN HG3 H 1 2.376 0.000 . . . . . . A 48 GLN HG3 . 34604 1 564 . 1 . 1 51 51 GLN HE21 H 1 6.915 0.000 . . . . . . A 48 GLN HE21 . 34604 1 565 . 1 . 1 51 51 GLN HE22 H 1 7.577 0.000 . . . . . . A 48 GLN HE22 . 34604 1 566 . 1 . 1 51 51 GLN CA C 13 56.686 0.000 . . . . . . A 48 GLN CA . 34604 1 567 . 1 . 1 51 51 GLN CB C 13 29.010 0.032 . . . . . . A 48 GLN CB . 34604 1 568 . 1 . 1 51 51 GLN CG C 13 33.913 0.006 . . . . . . A 48 GLN CG . 34604 1 569 . 1 . 1 51 51 GLN N N 15 119.582 0.000 . . . . . . A 48 GLN N . 34604 1 570 . 1 . 1 51 51 GLN NE2 N 15 112.325 0.005 . . . . . . A 48 GLN NE2 . 34604 1 571 . 1 . 1 52 52 GLY H H 1 8.288 0.000 . . . . . . A 49 GLY H . 34604 1 572 . 1 . 1 52 52 GLY HA2 H 1 3.906 0.000 . . . . . . A 49 GLY HA2 . 34604 1 573 . 1 . 1 52 52 GLY HA3 H 1 3.906 0.000 . . . . . . A 49 GLY HA3 . 34604 1 574 . 1 . 1 52 52 GLY CA C 13 45.865 0.000 . . . . . . A 49 GLY CA . 34604 1 575 . 1 . 1 52 52 GLY N N 15 108.109 0.000 . . . . . . A 49 GLY N . 34604 1 576 . 1 . 1 53 53 LYS H H 1 8.178 0.000 . . . . . . A 50 LYS H . 34604 1 577 . 1 . 1 53 53 LYS HA H 1 4.264 0.000 . . . . . . A 50 LYS HA . 34604 1 578 . 1 . 1 53 53 LYS HB2 H 1 1.770 0.000 . . . . . . A 50 LYS HB2 . 34604 1 579 . 1 . 1 53 53 LYS HB3 H 1 1.857 0.000 . . . . . . A 50 LYS HB3 . 34604 1 580 . 1 . 1 53 53 LYS HG2 H 1 1.364 0.000 . . . . . . A 50 LYS HG2 . 34604 1 581 . 1 . 1 53 53 LYS HG3 H 1 1.440 0.000 . . . . . . A 50 LYS HG3 . 34604 1 582 . 1 . 1 53 53 LYS HD2 H 1 1.663 0.000 . . . . . . A 50 LYS HD2 . 34604 1 583 . 1 . 1 53 53 LYS HD3 H 1 1.663 0.000 . . . . . . A 50 LYS HD3 . 34604 1 584 . 1 . 1 53 53 LYS HE2 H 1 2.969 0.000 . . . . . . A 50 LYS HE2 . 34604 1 585 . 1 . 1 53 53 LYS HE3 H 1 2.969 0.000 . . . . . . A 50 LYS HE3 . 34604 1 586 . 1 . 1 53 53 LYS CA C 13 56.425 0.000 . . . . . . A 50 LYS CA . 34604 1 587 . 1 . 1 53 53 LYS CB C 13 32.661 0.001 . . . . . . A 50 LYS CB . 34604 1 588 . 1 . 1 53 53 LYS CG C 13 24.884 0.000 . . . . . . A 50 LYS CG . 34604 1 589 . 1 . 1 53 53 LYS CD C 13 28.965 0.000 . . . . . . A 50 LYS CD . 34604 1 590 . 1 . 1 53 53 LYS CE C 13 41.942 0.000 . . . . . . A 50 LYS CE . 34604 1 591 . 1 . 1 53 53 LYS N N 15 119.921 0.000 . . . . . . A 50 LYS N . 34604 1 592 . 1 . 1 54 54 ARG H H 1 8.243 0.000 . . . . . . A 51 ARG H . 34604 1 593 . 1 . 1 54 54 ARG HA H 1 4.443 0.000 . . . . . . A 51 ARG HA . 34604 1 594 . 1 . 1 54 54 ARG HB2 H 1 1.749 0.000 . . . . . . A 51 ARG HB2 . 34604 1 595 . 1 . 1 54 54 ARG HB3 H 1 1.885 0.000 . . . . . . A 51 ARG HB3 . 34604 1 596 . 1 . 1 54 54 ARG HG2 H 1 1.585 0.000 . . . . . . A 51 ARG HG2 . 34604 1 597 . 1 . 1 54 54 ARG HG3 H 1 1.585 0.000 . . . . . . A 51 ARG HG3 . 34604 1 598 . 1 . 1 54 54 ARG HD2 H 1 3.165 0.000 . . . . . . A 51 ARG HD2 . 34604 1 599 . 1 . 1 54 54 ARG HD3 H 1 3.165 0.000 . . . . . . A 51 ARG HD3 . 34604 1 600 . 1 . 1 54 54 ARG CA C 13 55.684 0.000 . . . . . . A 51 ARG CA . 34604 1 601 . 1 . 1 54 54 ARG CB C 13 30.841 0.003 . . . . . . A 51 ARG CB . 34604 1 602 . 1 . 1 54 54 ARG CG C 13 27.238 0.000 . . . . . . A 51 ARG CG . 34604 1 603 . 1 . 1 54 54 ARG CD C 13 43.247 0.000 . . . . . . A 51 ARG CD . 34604 1 604 . 1 . 1 54 54 ARG N N 15 120.732 0.000 . . . . . . A 51 ARG N . 34604 1 605 . 1 . 1 55 55 SER H H 1 8.168 0.000 . . . . . . A 52 SER H . 34604 1 606 . 1 . 1 55 55 SER HA H 1 4.486 0.000 . . . . . . A 52 SER HA . 34604 1 607 . 1 . 1 55 55 SER HB2 H 1 3.725 0.000 . . . . . . A 52 SER HB2 . 34604 1 608 . 1 . 1 55 55 SER HB3 H 1 3.777 0.000 . . . . . . A 52 SER HB3 . 34604 1 609 . 1 . 1 55 55 SER CA C 13 57.597 0.000 . . . . . . A 52 SER CA . 34604 1 610 . 1 . 1 55 55 SER CB C 13 64.258 0.000 . . . . . . A 52 SER CB . 34604 1 611 . 1 . 1 55 55 SER N N 15 116.823 0.000 . . . . . . A 52 SER N . 34604 1 612 . 1 . 1 56 56 VAL H H 1 8.412 0.000 . . . . . . A 53 VAL H . 34604 1 613 . 1 . 1 56 56 VAL HA H 1 3.979 0.000 . . . . . . A 53 VAL HA . 34604 1 614 . 1 . 1 56 56 VAL HB H 1 1.930 0.000 . . . . . . A 53 VAL HB . 34604 1 615 . 1 . 1 56 56 VAL HG11 H 1 0.921 0.000 . . . . . . A 53 VAL HG11 . 34604 1 616 . 1 . 1 56 56 VAL HG12 H 1 0.921 0.000 . . . . . . A 53 VAL HG12 . 34604 1 617 . 1 . 1 56 56 VAL HG13 H 1 0.921 0.000 . . . . . . A 53 VAL HG13 . 34604 1 618 . 1 . 1 56 56 VAL HG21 H 1 0.921 0.000 . . . . . . A 53 VAL HG21 . 34604 1 619 . 1 . 1 56 56 VAL HG22 H 1 0.921 0.000 . . . . . . A 53 VAL HG22 . 34604 1 620 . 1 . 1 56 56 VAL HG23 H 1 0.921 0.000 . . . . . . A 53 VAL HG23 . 34604 1 621 . 1 . 1 56 56 VAL CA C 13 60.351 0.000 . . . . . . A 53 VAL CA . 34604 1 622 . 1 . 1 56 56 VAL CB C 13 32.283 0.000 . . . . . . A 53 VAL CB . 34604 1 623 . 1 . 1 56 56 VAL CG1 C 13 20.897 0.000 . . . . . . A 53 VAL CG1 . 34604 1 624 . 1 . 1 56 56 VAL CG2 C 13 20.897 0.000 . . . . . . A 53 VAL CG2 . 34604 1 625 . 1 . 1 56 56 VAL N N 15 124.094 0.000 . . . . . . A 53 VAL N . 34604 1 626 . 1 . 1 57 57 PRO HA H 1 4.328 0.000 . . . . . . A 54 PRO HA . 34604 1 627 . 1 . 1 57 57 PRO HB2 H 1 1.840 0.000 . . . . . . A 54 PRO HB2 . 34604 1 628 . 1 . 1 57 57 PRO HB3 H 1 1.893 0.000 . . . . . . A 54 PRO HB3 . 34604 1 629 . 1 . 1 57 57 PRO CA C 13 62.455 0.000 . . . . . . A 54 PRO CA . 34604 1 630 . 1 . 1 57 57 PRO CB C 13 32.759 0.000 . . . . . . A 54 PRO CB . 34604 1 631 . 1 . 1 58 58 SER H H 1 9.018 0.000 . . . . . . A 55 SER H . 34604 1 632 . 1 . 1 58 58 SER HA H 1 4.367 0.000 . . . . . . A 55 SER HA . 34604 1 633 . 1 . 1 58 58 SER HB2 H 1 4.091 0.000 . . . . . . A 55 SER HB2 . 34604 1 634 . 1 . 1 58 58 SER HB3 H 1 4.337 0.000 . . . . . . A 55 SER HB3 . 34604 1 635 . 1 . 1 58 58 SER CA C 13 58.226 0.000 . . . . . . A 55 SER CA . 34604 1 636 . 1 . 1 58 58 SER CB C 13 64.070 0.009 . . . . . . A 55 SER CB . 34604 1 637 . 1 . 1 58 58 SER N N 15 119.830 0.000 . . . . . . A 55 SER N . 34604 1 638 . 1 . 1 59 59 GLU HA H 1 4.202 0.000 . . . . . . A 56 GLU HA . 34604 1 639 . 1 . 1 59 59 GLU HB2 H 1 2.131 0.000 . . . . . . A 56 GLU HB2 . 34604 1 640 . 1 . 1 59 59 GLU HB3 H 1 2.031 0.000 . . . . . . A 56 GLU HB3 . 34604 1 641 . 1 . 1 59 59 GLU HG2 H 1 2.306 0.000 . . . . . . A 56 GLU HG2 . 34604 1 642 . 1 . 1 59 59 GLU HG3 H 1 2.403 0.000 . . . . . . A 56 GLU HG3 . 34604 1 643 . 1 . 1 59 59 GLU CA C 13 59.869 0.000 . . . . . . A 56 GLU CA . 34604 1 644 . 1 . 1 59 59 GLU CB C 13 29.246 0.016 . . . . . . A 56 GLU CB . 34604 1 645 . 1 . 1 59 59 GLU CG C 13 36.375 0.002 . . . . . . A 56 GLU CG . 34604 1 646 . 1 . 1 60 60 LYS H H 1 8.444 0.000 . . . . . . A 57 LYS H . 34604 1 647 . 1 . 1 60 60 LYS HA H 1 4.031 0.000 . . . . . . A 57 LYS HA . 34604 1 648 . 1 . 1 60 60 LYS HB2 H 1 1.896 0.000 . . . . . . A 57 LYS HB2 . 34604 1 649 . 1 . 1 60 60 LYS HB3 H 1 1.793 0.000 . . . . . . A 57 LYS HB3 . 34604 1 650 . 1 . 1 60 60 LYS HG2 H 1 1.493 0.000 . . . . . . A 57 LYS HG2 . 34604 1 651 . 1 . 1 60 60 LYS HG3 H 1 1.650 0.000 . . . . . . A 57 LYS HG3 . 34604 1 652 . 1 . 1 60 60 LYS HD2 H 1 1.724 0.000 . . . . . . A 57 LYS HD2 . 34604 1 653 . 1 . 1 60 60 LYS HD3 H 1 1.724 0.000 . . . . . . A 57 LYS HD3 . 34604 1 654 . 1 . 1 60 60 LYS HE2 H 1 2.999 0.000 . . . . . . A 57 LYS HE2 . 34604 1 655 . 1 . 1 60 60 LYS HE3 H 1 2.999 0.000 . . . . . . A 57 LYS HE3 . 34604 1 656 . 1 . 1 60 60 LYS CA C 13 59.856 0.000 . . . . . . A 57 LYS CA . 34604 1 657 . 1 . 1 60 60 LYS CB C 13 32.690 0.003 . . . . . . A 57 LYS CB . 34604 1 658 . 1 . 1 60 60 LYS CG C 13 25.850 0.004 . . . . . . A 57 LYS CG . 34604 1 659 . 1 . 1 60 60 LYS CD C 13 29.196 0.000 . . . . . . A 57 LYS CD . 34604 1 660 . 1 . 1 60 60 LYS CE C 13 41.781 0.000 . . . . . . A 57 LYS CE . 34604 1 661 . 1 . 1 60 60 LYS N N 15 119.472 0.000 . . . . . . A 57 LYS N . 34604 1 662 . 1 . 1 61 61 LEU H H 1 8.446 0.000 . . . . . . A 58 LEU H . 34604 1 663 . 1 . 1 61 61 LEU HA H 1 4.226 0.000 . . . . . . A 58 LEU HA . 34604 1 664 . 1 . 1 61 61 LEU HB2 H 1 1.626 0.000 . . . . . . A 58 LEU HB2 . 34604 1 665 . 1 . 1 61 61 LEU HB3 H 1 2.118 0.000 . . . . . . A 58 LEU HB3 . 34604 1 666 . 1 . 1 61 61 LEU HG H 1 1.766 0.000 . . . . . . A 58 LEU HG . 34604 1 667 . 1 . 1 61 61 LEU HD11 H 1 0.987 0.000 . . . . . . A 58 LEU HD11 . 34604 1 668 . 1 . 1 61 61 LEU HD12 H 1 0.987 0.000 . . . . . . A 58 LEU HD12 . 34604 1 669 . 1 . 1 61 61 LEU HD13 H 1 0.987 0.000 . . . . . . A 58 LEU HD13 . 34604 1 670 . 1 . 1 61 61 LEU HD21 H 1 1.117 0.000 . . . . . . A 58 LEU HD21 . 34604 1 671 . 1 . 1 61 61 LEU HD22 H 1 1.117 0.000 . . . . . . A 58 LEU HD22 . 34604 1 672 . 1 . 1 61 61 LEU HD23 H 1 1.117 0.000 . . . . . . A 58 LEU HD23 . 34604 1 673 . 1 . 1 61 61 LEU CA C 13 58.030 0.000 . . . . . . A 58 LEU CA . 34604 1 674 . 1 . 1 61 61 LEU CB C 13 40.436 0.001 . . . . . . A 58 LEU CB . 34604 1 675 . 1 . 1 61 61 LEU CG C 13 27.986 0.000 . . . . . . A 58 LEU CG . 34604 1 676 . 1 . 1 61 61 LEU CD1 C 13 24.346 0.000 . . . . . . A 58 LEU CD1 . 34604 1 677 . 1 . 1 61 61 LEU CD2 C 13 27.796 0.000 . . . . . . A 58 LEU CD2 . 34604 1 678 . 1 . 1 61 61 LEU N N 15 123.061 0.000 . . . . . . A 58 LEU N . 34604 1 679 . 1 . 1 62 62 THR H H 1 8.845 0.000 . . . . . . A 59 THR H . 34604 1 680 . 1 . 1 62 62 THR HA H 1 4.442 0.000 . . . . . . A 59 THR HA . 34604 1 681 . 1 . 1 62 62 THR HB H 1 4.453 0.000 . . . . . . A 59 THR HB . 34604 1 682 . 1 . 1 62 62 THR HG21 H 1 1.207 0.000 . . . . . . A 59 THR HG21 . 34604 1 683 . 1 . 1 62 62 THR HG22 H 1 1.207 0.000 . . . . . . A 59 THR HG22 . 34604 1 684 . 1 . 1 62 62 THR HG23 H 1 1.207 0.000 . . . . . . A 59 THR HG23 . 34604 1 685 . 1 . 1 62 62 THR CA C 13 66.700 0.000 . . . . . . A 59 THR CA . 34604 1 686 . 1 . 1 62 62 THR CB C 13 68.857 0.000 . . . . . . A 59 THR CB . 34604 1 687 . 1 . 1 62 62 THR CG2 C 13 21.420 0.000 . . . . . . A 59 THR CG2 . 34604 1 688 . 1 . 1 62 62 THR N N 15 119.368 0.000 . . . . . . A 59 THR N . 34604 1 689 . 1 . 1 63 63 THR H H 1 8.511 0.000 . . . . . . A 60 THR H . 34604 1 690 . 1 . 1 63 63 THR HA H 1 3.960 0.000 . . . . . . A 60 THR HA . 34604 1 691 . 1 . 1 63 63 THR HB H 1 4.273 0.000 . . . . . . A 60 THR HB . 34604 1 692 . 1 . 1 63 63 THR HG21 H 1 1.268 0.000 . . . . . . A 60 THR HG21 . 34604 1 693 . 1 . 1 63 63 THR HG22 H 1 1.268 0.000 . . . . . . A 60 THR HG22 . 34604 1 694 . 1 . 1 63 63 THR HG23 H 1 1.268 0.000 . . . . . . A 60 THR HG23 . 34604 1 695 . 1 . 1 63 63 THR CA C 13 67.100 0.000 . . . . . . A 60 THR CA . 34604 1 696 . 1 . 1 63 63 THR CB C 13 68.504 0.000 . . . . . . A 60 THR CB . 34604 1 697 . 1 . 1 63 63 THR CG2 C 13 21.646 0.000 . . . . . . A 60 THR CG2 . 34604 1 698 . 1 . 1 63 63 THR N N 15 118.438 0.000 . . . . . . A 60 THR N . 34604 1 699 . 1 . 1 64 64 ALA H H 1 8.005 0.000 . . . . . . A 61 ALA H . 34604 1 700 . 1 . 1 64 64 ALA HA H 1 4.155 0.000 . . . . . . A 61 ALA HA . 34604 1 701 . 1 . 1 64 64 ALA HB1 H 1 1.451 0.000 . . . . . . A 61 ALA HB1 . 34604 1 702 . 1 . 1 64 64 ALA HB2 H 1 1.451 0.000 . . . . . . A 61 ALA HB2 . 34604 1 703 . 1 . 1 64 64 ALA HB3 H 1 1.451 0.000 . . . . . . A 61 ALA HB3 . 34604 1 704 . 1 . 1 64 64 ALA CA C 13 55.630 0.000 . . . . . . A 61 ALA CA . 34604 1 705 . 1 . 1 64 64 ALA CB C 13 18.763 0.000 . . . . . . A 61 ALA CB . 34604 1 706 . 1 . 1 64 64 ALA N N 15 124.803 0.000 . . . . . . A 61 ALA N . 34604 1 707 . 1 . 1 65 65 MET H H 1 9.137 0.000 . . . . . . A 62 MET H . 34604 1 708 . 1 . 1 65 65 MET HA H 1 4.306 0.000 . . . . . . A 62 MET HA . 34604 1 709 . 1 . 1 65 65 MET HE1 H 1 1.594 0.000 . . . . . . A 62 MET HE1 . 34604 1 710 . 1 . 1 65 65 MET HE2 H 1 1.594 0.000 . . . . . . A 62 MET HE2 . 34604 1 711 . 1 . 1 65 65 MET HE3 H 1 1.594 0.000 . . . . . . A 62 MET HE3 . 34604 1 712 . 1 . 1 65 65 MET CA C 13 58.271 0.000 . . . . . . A 62 MET CA . 34604 1 713 . 1 . 1 65 65 MET CE C 13 17.250 0.000 . . . . . . A 62 MET CE . 34604 1 714 . 1 . 1 65 65 MET N N 15 120.082 0.000 . . . . . . A 62 MET N . 34604 1 715 . 1 . 1 66 66 ASN H H 1 8.723 0.000 . . . . . . A 63 ASN H . 34604 1 716 . 1 . 1 66 66 ASN HA H 1 4.615 0.000 . . . . . . A 63 ASN HA . 34604 1 717 . 1 . 1 66 66 ASN HB2 H 1 3.147 0.000 . . . . . . A 63 ASN HB2 . 34604 1 718 . 1 . 1 66 66 ASN HB3 H 1 2.815 0.000 . . . . . . A 63 ASN HB3 . 34604 1 719 . 1 . 1 66 66 ASN HD21 H 1 6.919 0.000 . . . . . . A 63 ASN HD21 . 34604 1 720 . 1 . 1 66 66 ASN HD22 H 1 7.650 0.000 . . . . . . A 63 ASN HD22 . 34604 1 721 . 1 . 1 66 66 ASN CA C 13 55.738 0.000 . . . . . . A 63 ASN CA . 34604 1 722 . 1 . 1 66 66 ASN CB C 13 37.059 0.004 . . . . . . A 63 ASN CB . 34604 1 723 . 1 . 1 66 66 ASN N N 15 120.048 0.000 . . . . . . A 63 ASN N . 34604 1 724 . 1 . 1 66 66 ASN ND2 N 15 111.897 0.002 . . . . . . A 63 ASN ND2 . 34604 1 725 . 1 . 1 67 67 ARG H H 1 8.346 0.000 . . . . . . A 64 ARG H . 34604 1 726 . 1 . 1 67 67 ARG HA H 1 4.226 0.000 . . . . . . A 64 ARG HA . 34604 1 727 . 1 . 1 67 67 ARG HB2 H 1 2.013 0.000 . . . . . . A 64 ARG HB2 . 34604 1 728 . 1 . 1 67 67 ARG HB3 H 1 2.156 0.000 . . . . . . A 64 ARG HB3 . 34604 1 729 . 1 . 1 67 67 ARG HG2 H 1 1.743 0.000 . . . . . . A 64 ARG HG2 . 34604 1 730 . 1 . 1 67 67 ARG HG3 H 1 2.012 0.000 . . . . . . A 64 ARG HG3 . 34604 1 731 . 1 . 1 67 67 ARG HD2 H 1 3.270 0.000 . . . . . . A 64 ARG HD2 . 34604 1 732 . 1 . 1 67 67 ARG HD3 H 1 3.270 0.000 . . . . . . A 64 ARG HD3 . 34604 1 733 . 1 . 1 67 67 ARG CA C 13 59.745 0.000 . . . . . . A 64 ARG CA . 34604 1 734 . 1 . 1 67 67 ARG CB C 13 30.568 0.011 . . . . . . A 64 ARG CB . 34604 1 735 . 1 . 1 67 67 ARG CG C 13 28.185 0.037 . . . . . . A 64 ARG CG . 34604 1 736 . 1 . 1 67 67 ARG CD C 13 43.813 0.000 . . . . . . A 64 ARG CD . 34604 1 737 . 1 . 1 67 67 ARG N N 15 123.113 0.000 . . . . . . A 64 ARG N . 34604 1 738 . 1 . 1 68 68 PHE H H 1 8.516 0.000 . . . . . . A 65 PHE H . 34604 1 739 . 1 . 1 68 68 PHE HA H 1 4.523 0.000 . . . . . . A 65 PHE HA . 34604 1 740 . 1 . 1 68 68 PHE HB2 H 1 3.251 0.000 . . . . . . A 65 PHE HB2 . 34604 1 741 . 1 . 1 68 68 PHE HB3 H 1 3.520 0.000 . . . . . . A 65 PHE HB3 . 34604 1 742 . 1 . 1 68 68 PHE HD1 H 1 7.242 0.000 . . . . . . A 65 PHE HD1 . 34604 1 743 . 1 . 1 68 68 PHE HD2 H 1 7.242 0.000 . . . . . . A 65 PHE HD2 . 34604 1 744 . 1 . 1 68 68 PHE CA C 13 60.416 0.000 . . . . . . A 65 PHE CA . 34604 1 745 . 1 . 1 68 68 PHE CB C 13 39.334 0.012 . . . . . . A 65 PHE CB . 34604 1 746 . 1 . 1 68 68 PHE CD1 C 13 131.273 0.000 . . . . . . A 65 PHE CD1 . 34604 1 747 . 1 . 1 68 68 PHE CD2 C 13 131.273 0.000 . . . . . . A 65 PHE CD2 . 34604 1 748 . 1 . 1 68 68 PHE N N 15 123.639 0.000 . . . . . . A 65 PHE N . 34604 1 749 . 1 . 1 69 69 LYS H H 1 8.852 0.000 . . . . . . A 66 LYS H . 34604 1 750 . 1 . 1 69 69 LYS HA H 1 3.588 0.000 . . . . . . A 66 LYS HA . 34604 1 751 . 1 . 1 69 69 LYS HB2 H 1 1.849 0.000 . . . . . . A 66 LYS HB2 . 34604 1 752 . 1 . 1 69 69 LYS HB3 H 1 2.139 0.000 . . . . . . A 66 LYS HB3 . 34604 1 753 . 1 . 1 69 69 LYS HG2 H 1 1.216 0.000 . . . . . . A 66 LYS HG2 . 34604 1 754 . 1 . 1 69 69 LYS HG3 H 1 1.380 0.000 . . . . . . A 66 LYS HG3 . 34604 1 755 . 1 . 1 69 69 LYS HE2 H 1 2.877 0.000 . . . . . . A 66 LYS HE2 . 34604 1 756 . 1 . 1 69 69 LYS HE3 H 1 2.877 0.000 . . . . . . A 66 LYS HE3 . 34604 1 757 . 1 . 1 69 69 LYS CA C 13 60.648 0.000 . . . . . . A 66 LYS CA . 34604 1 758 . 1 . 1 69 69 LYS CB C 13 32.369 0.035 . . . . . . A 66 LYS CB . 34604 1 759 . 1 . 1 69 69 LYS CG C 13 24.900 0.008 . . . . . . A 66 LYS CG . 34604 1 760 . 1 . 1 69 69 LYS CE C 13 41.830 0.000 . . . . . . A 66 LYS CE . 34604 1 761 . 1 . 1 69 69 LYS N N 15 120.304 0.000 . . . . . . A 66 LYS N . 34604 1 762 . 1 . 1 70 70 ALA H H 1 7.999 0.000 . . . . . . A 67 ALA H . 34604 1 763 . 1 . 1 70 70 ALA HA H 1 4.270 0.000 . . . . . . A 67 ALA HA . 34604 1 764 . 1 . 1 70 70 ALA HB1 H 1 1.551 0.000 . . . . . . A 67 ALA HB1 . 34604 1 765 . 1 . 1 70 70 ALA HB2 H 1 1.551 0.000 . . . . . . A 67 ALA HB2 . 34604 1 766 . 1 . 1 70 70 ALA HB3 H 1 1.551 0.000 . . . . . . A 67 ALA HB3 . 34604 1 767 . 1 . 1 70 70 ALA CA C 13 54.872 0.000 . . . . . . A 67 ALA CA . 34604 1 768 . 1 . 1 70 70 ALA CB C 13 17.797 0.000 . . . . . . A 67 ALA CB . 34604 1 769 . 1 . 1 70 70 ALA N N 15 118.898 0.000 . . . . . . A 67 ALA N . 34604 1 770 . 1 . 1 71 71 ALA H H 1 7.995 0.000 . . . . . . A 68 ALA H . 34604 1 771 . 1 . 1 71 71 ALA HA H 1 4.206 0.000 . . . . . . A 68 ALA HA . 34604 1 772 . 1 . 1 71 71 ALA HB1 H 1 1.551 0.000 . . . . . . A 68 ALA HB1 . 34604 1 773 . 1 . 1 71 71 ALA HB2 H 1 1.551 0.000 . . . . . . A 68 ALA HB2 . 34604 1 774 . 1 . 1 71 71 ALA HB3 H 1 1.551 0.000 . . . . . . A 68 ALA HB3 . 34604 1 775 . 1 . 1 71 71 ALA CA C 13 55.235 0.000 . . . . . . A 68 ALA CA . 34604 1 776 . 1 . 1 71 71 ALA CB C 13 17.640 0.000 . . . . . . A 68 ALA CB . 34604 1 777 . 1 . 1 71 71 ALA N N 15 122.497 0.000 . . . . . . A 68 ALA N . 34604 1 778 . 1 . 1 72 72 LEU H H 1 8.123 0.000 . . . . . . A 69 LEU H . 34604 1 779 . 1 . 1 72 72 LEU HA H 1 3.858 0.000 . . . . . . A 69 LEU HA . 34604 1 780 . 1 . 1 72 72 LEU HB2 H 1 1.045 0.000 . . . . . . A 69 LEU HB2 . 34604 1 781 . 1 . 1 72 72 LEU HB3 H 1 1.991 0.000 . . . . . . A 69 LEU HB3 . 34604 1 782 . 1 . 1 72 72 LEU HG H 1 1.115 0.000 . . . . . . A 69 LEU HG . 34604 1 783 . 1 . 1 72 72 LEU HD11 H 1 0.319 0.000 . . . . . . A 69 LEU HD11 . 34604 1 784 . 1 . 1 72 72 LEU HD12 H 1 0.319 0.000 . . . . . . A 69 LEU HD12 . 34604 1 785 . 1 . 1 72 72 LEU HD13 H 1 0.319 0.000 . . . . . . A 69 LEU HD13 . 34604 1 786 . 1 . 1 72 72 LEU HD21 H 1 0.490 0.000 . . . . . . A 69 LEU HD21 . 34604 1 787 . 1 . 1 72 72 LEU HD22 H 1 0.490 0.000 . . . . . . A 69 LEU HD22 . 34604 1 788 . 1 . 1 72 72 LEU HD23 H 1 0.490 0.000 . . . . . . A 69 LEU HD23 . 34604 1 789 . 1 . 1 72 72 LEU CA C 13 57.692 0.000 . . . . . . A 69 LEU CA . 34604 1 790 . 1 . 1 72 72 LEU CB C 13 41.247 0.010 . . . . . . A 69 LEU CB . 34604 1 791 . 1 . 1 72 72 LEU CG C 13 25.912 0.000 . . . . . . A 69 LEU CG . 34604 1 792 . 1 . 1 72 72 LEU CD1 C 13 26.753 0.000 . . . . . . A 69 LEU CD1 . 34604 1 793 . 1 . 1 72 72 LEU CD2 C 13 23.115 0.000 . . . . . . A 69 LEU CD2 . 34604 1 794 . 1 . 1 72 72 LEU N N 15 119.007 0.000 . . . . . . A 69 LEU N . 34604 1 795 . 1 . 1 73 73 GLU H H 1 8.641 0.000 . . . . . . A 70 GLU H . 34604 1 796 . 1 . 1 73 73 GLU HA H 1 3.941 0.000 . . . . . . A 70 GLU HA . 34604 1 797 . 1 . 1 73 73 GLU HB2 H 1 1.979 0.000 . . . . . . A 70 GLU HB2 . 34604 1 798 . 1 . 1 73 73 GLU HB3 H 1 2.213 0.000 . . . . . . A 70 GLU HB3 . 34604 1 799 . 1 . 1 73 73 GLU HG2 H 1 2.498 0.000 . . . . . . A 70 GLU HG2 . 34604 1 800 . 1 . 1 73 73 GLU HG3 H 1 2.185 0.000 . . . . . . A 70 GLU HG3 . 34604 1 801 . 1 . 1 73 73 GLU CA C 13 59.856 0.000 . . . . . . A 70 GLU CA . 34604 1 802 . 1 . 1 73 73 GLU CB C 13 28.963 0.007 . . . . . . A 70 GLU CB . 34604 1 803 . 1 . 1 73 73 GLU CG C 13 37.255 0.004 . . . . . . A 70 GLU CG . 34604 1 804 . 1 . 1 73 73 GLU N N 15 120.226 0.000 . . . . . . A 70 GLU N . 34604 1 805 . 1 . 1 74 74 GLU H H 1 8.359 0.000 . . . . . . A 71 GLU H . 34604 1 806 . 1 . 1 74 74 GLU HA H 1 4.073 0.000 . . . . . . A 71 GLU HA . 34604 1 807 . 1 . 1 74 74 GLU HB2 H 1 2.211 0.000 . . . . . . A 71 GLU HB2 . 34604 1 808 . 1 . 1 74 74 GLU HB3 H 1 2.100 0.000 . . . . . . A 71 GLU HB3 . 34604 1 809 . 1 . 1 74 74 GLU HG2 H 1 2.454 0.000 . . . . . . A 71 GLU HG2 . 34604 1 810 . 1 . 1 74 74 GLU HG3 H 1 2.089 0.000 . . . . . . A 71 GLU HG3 . 34604 1 811 . 1 . 1 74 74 GLU CA C 13 59.555 0.000 . . . . . . A 71 GLU CA . 34604 1 812 . 1 . 1 74 74 GLU CB C 13 29.339 0.009 . . . . . . A 71 GLU CB . 34604 1 813 . 1 . 1 74 74 GLU CG C 13 36.361 0.013 . . . . . . A 71 GLU CG . 34604 1 814 . 1 . 1 74 74 GLU N N 15 122.465 0.000 . . . . . . A 71 GLU N . 34604 1 815 . 1 . 1 75 75 ALA H H 1 8.443 0.000 . . . . . . A 72 ALA H . 34604 1 816 . 1 . 1 75 75 ALA HA H 1 3.894 0.000 . . . . . . A 72 ALA HA . 34604 1 817 . 1 . 1 75 75 ALA HB1 H 1 1.431 0.000 . . . . . . A 72 ALA HB1 . 34604 1 818 . 1 . 1 75 75 ALA HB2 H 1 1.431 0.000 . . . . . . A 72 ALA HB2 . 34604 1 819 . 1 . 1 75 75 ALA HB3 H 1 1.431 0.000 . . . . . . A 72 ALA HB3 . 34604 1 820 . 1 . 1 75 75 ALA CA C 13 55.878 0.000 . . . . . . A 72 ALA CA . 34604 1 821 . 1 . 1 75 75 ALA CB C 13 17.027 0.000 . . . . . . A 72 ALA CB . 34604 1 822 . 1 . 1 75 75 ALA N N 15 123.050 0.000 . . . . . . A 72 ALA N . 34604 1 823 . 1 . 1 76 76 ASN H H 1 8.525 0.000 . . . . . . A 73 ASN H . 34604 1 824 . 1 . 1 76 76 ASN HA H 1 4.473 0.000 . . . . . . A 73 ASN HA . 34604 1 825 . 1 . 1 76 76 ASN HB2 H 1 2.922 0.000 . . . . . . A 73 ASN HB2 . 34604 1 826 . 1 . 1 76 76 ASN HB3 H 1 2.536 0.000 . . . . . . A 73 ASN HB3 . 34604 1 827 . 1 . 1 76 76 ASN HD21 H 1 6.438 0.000 . . . . . . A 73 ASN HD21 . 34604 1 828 . 1 . 1 76 76 ASN HD22 H 1 7.534 0.000 . . . . . . A 73 ASN HD22 . 34604 1 829 . 1 . 1 76 76 ASN CA C 13 56.177 0.000 . . . . . . A 73 ASN CA . 34604 1 830 . 1 . 1 76 76 ASN CB C 13 38.727 0.001 . . . . . . A 73 ASN CB . 34604 1 831 . 1 . 1 76 76 ASN N N 15 115.776 0.000 . . . . . . A 73 ASN N . 34604 1 832 . 1 . 1 76 76 ASN ND2 N 15 110.277 0.003 . . . . . . A 73 ASN ND2 . 34604 1 833 . 1 . 1 77 77 GLY H H 1 8.086 0.000 . . . . . . A 74 GLY H . 34604 1 834 . 1 . 1 77 77 GLY HA2 H 1 4.017 0.000 . . . . . . A 74 GLY HA2 . 34604 1 835 . 1 . 1 77 77 GLY HA3 H 1 3.898 0.000 . . . . . . A 74 GLY HA3 . 34604 1 836 . 1 . 1 77 77 GLY CA C 13 46.925 0.009 . . . . . . A 74 GLY CA . 34604 1 837 . 1 . 1 77 77 GLY N N 15 105.503 0.000 . . . . . . A 74 GLY N . 34604 1 838 . 1 . 1 78 78 GLU H H 1 8.139 0.000 . . . . . . A 75 GLU H . 34604 1 839 . 1 . 1 78 78 GLU HA H 1 4.144 0.000 . . . . . . A 75 GLU HA . 34604 1 840 . 1 . 1 78 78 GLU HB2 H 1 2.297 0.000 . . . . . . A 75 GLU HB2 . 34604 1 841 . 1 . 1 78 78 GLU HB3 H 1 2.463 0.000 . . . . . . A 75 GLU HB3 . 34604 1 842 . 1 . 1 78 78 GLU CA C 13 58.622 0.000 . . . . . . A 75 GLU CA . 34604 1 843 . 1 . 1 78 78 GLU CB C 13 29.741 0.014 . . . . . . A 75 GLU CB . 34604 1 844 . 1 . 1 78 78 GLU N N 15 123.588 0.000 . . . . . . A 75 GLU N . 34604 1 845 . 1 . 1 79 79 ILE H H 1 8.403 0.000 . . . . . . A 76 ILE H . 34604 1 846 . 1 . 1 79 79 ILE HA H 1 3.833 0.000 . . . . . . A 76 ILE HA . 34604 1 847 . 1 . 1 79 79 ILE HB H 1 2.060 0.000 . . . . . . A 76 ILE HB . 34604 1 848 . 1 . 1 79 79 ILE HG12 H 1 1.072 0.000 . . . . . . A 76 ILE HG12 . 34604 1 849 . 1 . 1 79 79 ILE HG13 H 1 1.598 0.000 . . . . . . A 76 ILE HG13 . 34604 1 850 . 1 . 1 79 79 ILE HG21 H 1 0.929 0.000 . . . . . . A 76 ILE HG21 . 34604 1 851 . 1 . 1 79 79 ILE HG22 H 1 0.929 0.000 . . . . . . A 76 ILE HG22 . 34604 1 852 . 1 . 1 79 79 ILE HG23 H 1 0.929 0.000 . . . . . . A 76 ILE HG23 . 34604 1 853 . 1 . 1 79 79 ILE HD11 H 1 0.791 0.000 . . . . . . A 76 ILE HD11 . 34604 1 854 . 1 . 1 79 79 ILE HD12 H 1 0.791 0.000 . . . . . . A 76 ILE HD12 . 34604 1 855 . 1 . 1 79 79 ILE HD13 H 1 0.791 0.000 . . . . . . A 76 ILE HD13 . 34604 1 856 . 1 . 1 79 79 ILE CA C 13 65.516 0.000 . . . . . . A 76 ILE CA . 34604 1 857 . 1 . 1 79 79 ILE CB C 13 37.819 0.000 . . . . . . A 76 ILE CB . 34604 1 858 . 1 . 1 79 79 ILE CG1 C 13 28.943 0.020 . . . . . . A 76 ILE CG1 . 34604 1 859 . 1 . 1 79 79 ILE CG2 C 13 17.845 0.000 . . . . . . A 76 ILE CG2 . 34604 1 860 . 1 . 1 79 79 ILE CD1 C 13 16.823 0.000 . . . . . . A 76 ILE CD1 . 34604 1 861 . 1 . 1 79 79 ILE N N 15 120.493 0.000 . . . . . . A 76 ILE N . 34604 1 862 . 1 . 1 80 80 GLU H H 1 7.881 0.000 . . . . . . A 77 GLU H . 34604 1 863 . 1 . 1 80 80 GLU HA H 1 3.940 0.000 . . . . . . A 77 GLU HA . 34604 1 864 . 1 . 1 80 80 GLU HB2 H 1 2.100 0.000 . . . . . . A 77 GLU HB2 . 34604 1 865 . 1 . 1 80 80 GLU HB3 H 1 2.276 0.000 . . . . . . A 77 GLU HB3 . 34604 1 866 . 1 . 1 80 80 GLU HG2 H 1 2.257 0.000 . . . . . . A 77 GLU HG2 . 34604 1 867 . 1 . 1 80 80 GLU HG3 H 1 2.257 0.000 . . . . . . A 77 GLU HG3 . 34604 1 868 . 1 . 1 80 80 GLU CA C 13 59.711 0.000 . . . . . . A 77 GLU CA . 34604 1 869 . 1 . 1 80 80 GLU CB C 13 29.415 0.004 . . . . . . A 77 GLU CB . 34604 1 870 . 1 . 1 80 80 GLU CG C 13 35.480 0.000 . . . . . . A 77 GLU CG . 34604 1 871 . 1 . 1 80 80 GLU N N 15 119.524 0.000 . . . . . . A 77 GLU N . 34604 1 872 . 1 . 1 81 81 LYS H H 1 7.758 0.000 . . . . . . A 78 LYS H . 34604 1 873 . 1 . 1 81 81 LYS HA H 1 3.918 0.000 . . . . . . A 78 LYS HA . 34604 1 874 . 1 . 1 81 81 LYS HB2 H 1 1.526 0.000 . . . . . . A 78 LYS HB2 . 34604 1 875 . 1 . 1 81 81 LYS HB3 H 1 1.631 0.000 . . . . . . A 78 LYS HB3 . 34604 1 876 . 1 . 1 81 81 LYS HG2 H 1 1.229 0.000 . . . . . . A 78 LYS HG2 . 34604 1 877 . 1 . 1 81 81 LYS HG3 H 1 1.418 0.000 . . . . . . A 78 LYS HG3 . 34604 1 878 . 1 . 1 81 81 LYS HD2 H 1 1.350 0.000 . . . . . . A 78 LYS HD2 . 34604 1 879 . 1 . 1 81 81 LYS HD3 H 1 1.235 0.000 . . . . . . A 78 LYS HD3 . 34604 1 880 . 1 . 1 81 81 LYS HE2 H 1 2.492 0.000 . . . . . . A 78 LYS HE2 . 34604 1 881 . 1 . 1 81 81 LYS HE3 H 1 2.324 0.000 . . . . . . A 78 LYS HE3 . 34604 1 882 . 1 . 1 81 81 LYS CA C 13 59.788 0.000 . . . . . . A 78 LYS CA . 34604 1 883 . 1 . 1 81 81 LYS CB C 13 32.148 0.005 . . . . . . A 78 LYS CB . 34604 1 884 . 1 . 1 81 81 LYS CG C 13 24.147 0.021 . . . . . . A 78 LYS CG . 34604 1 885 . 1 . 1 81 81 LYS CD C 13 29.187 0.001 . . . . . . A 78 LYS CD . 34604 1 886 . 1 . 1 81 81 LYS CE C 13 41.062 0.000 . . . . . . A 78 LYS CE . 34604 1 887 . 1 . 1 81 81 LYS N N 15 121.666 0.000 . . . . . . A 78 LYS N . 34604 1 888 . 1 . 1 82 82 PHE H H 1 8.248 0.000 . . . . . . A 79 PHE H . 34604 1 889 . 1 . 1 82 82 PHE HA H 1 4.691 0.000 . . . . . . A 79 PHE HA . 34604 1 890 . 1 . 1 82 82 PHE HB2 H 1 2.752 0.000 . . . . . . A 79 PHE HB2 . 34604 1 891 . 1 . 1 82 82 PHE HB3 H 1 3.365 0.000 . . . . . . A 79 PHE HB3 . 34604 1 892 . 1 . 1 82 82 PHE HD1 H 1 6.804 0.000 . . . . . . A 79 PHE HD1 . 34604 1 893 . 1 . 1 82 82 PHE HD2 H 1 6.804 0.000 . . . . . . A 79 PHE HD2 . 34604 1 894 . 1 . 1 82 82 PHE HE1 H 1 7.098 0.000 . . . . . . A 79 PHE HE1 . 34604 1 895 . 1 . 1 82 82 PHE HE2 H 1 7.098 0.000 . . . . . . A 79 PHE HE2 . 34604 1 896 . 1 . 1 82 82 PHE CA C 13 58.395 0.000 . . . . . . A 79 PHE CA . 34604 1 897 . 1 . 1 82 82 PHE CB C 13 36.613 0.015 . . . . . . A 79 PHE CB . 34604 1 898 . 1 . 1 82 82 PHE CD1 C 13 130.513 0.000 . . . . . . A 79 PHE CD1 . 34604 1 899 . 1 . 1 82 82 PHE CD2 C 13 130.513 0.000 . . . . . . A 79 PHE CD2 . 34604 1 900 . 1 . 1 82 82 PHE CE1 C 13 133.602 0.000 . . . . . . A 79 PHE CE1 . 34604 1 901 . 1 . 1 82 82 PHE CE2 C 13 133.602 0.000 . . . . . . A 79 PHE CE2 . 34604 1 902 . 1 . 1 82 82 PHE N N 15 115.917 0.000 . . . . . . A 79 PHE N . 34604 1 903 . 1 . 1 83 83 SER H H 1 7.698 0.000 . . . . . . A 80 SER H . 34604 1 904 . 1 . 1 83 83 SER HA H 1 4.527 0.000 . . . . . . A 80 SER HA . 34604 1 905 . 1 . 1 83 83 SER HB2 H 1 4.090 0.000 . . . . . . A 80 SER HB2 . 34604 1 906 . 1 . 1 83 83 SER HB3 H 1 4.138 0.000 . . . . . . A 80 SER HB3 . 34604 1 907 . 1 . 1 83 83 SER CA C 13 60.444 0.000 . . . . . . A 80 SER CA . 34604 1 908 . 1 . 1 83 83 SER CB C 13 63.419 0.007 . . . . . . A 80 SER CB . 34604 1 909 . 1 . 1 83 83 SER N N 15 113.348 0.000 . . . . . . A 80 SER N . 34604 1 910 . 1 . 1 84 84 ASN H H 1 7.318 0.000 . . . . . . A 81 ASN H . 34604 1 911 . 1 . 1 84 84 ASN HA H 1 4.999 0.000 . . . . . . A 81 ASN HA . 34604 1 912 . 1 . 1 84 84 ASN HB2 H 1 2.882 0.000 . . . . . . A 81 ASN HB2 . 34604 1 913 . 1 . 1 84 84 ASN HB3 H 1 3.043 0.000 . . . . . . A 81 ASN HB3 . 34604 1 914 . 1 . 1 84 84 ASN HD21 H 1 7.086 0.000 . . . . . . A 81 ASN HD21 . 34604 1 915 . 1 . 1 84 84 ASN HD22 H 1 7.742 0.000 . . . . . . A 81 ASN HD22 . 34604 1 916 . 1 . 1 84 84 ASN CA C 13 52.082 0.000 . . . . . . A 81 ASN CA . 34604 1 917 . 1 . 1 84 84 ASN CB C 13 40.213 0.005 . . . . . . A 81 ASN CB . 34604 1 918 . 1 . 1 84 84 ASN N N 15 119.512 0.000 . . . . . . A 81 ASN N . 34604 1 919 . 1 . 1 84 84 ASN ND2 N 15 113.682 0.012 . . . . . . A 81 ASN ND2 . 34604 1 920 . 1 . 1 86 86 SER H H 1 8.451 0.000 . . . . . . A 83 SER H . 34604 1 921 . 1 . 1 86 86 SER HA H 1 4.212 0.000 . . . . . . A 83 SER HA . 34604 1 922 . 1 . 1 86 86 SER HB2 H 1 3.942 0.000 . . . . . . A 83 SER HB2 . 34604 1 923 . 1 . 1 86 86 SER HB3 H 1 3.942 0.000 . . . . . . A 83 SER HB3 . 34604 1 924 . 1 . 1 86 86 SER CA C 13 61.935 0.000 . . . . . . A 83 SER CA . 34604 1 925 . 1 . 1 86 86 SER CB C 13 62.242 0.000 . . . . . . A 83 SER CB . 34604 1 926 . 1 . 1 86 86 SER N N 15 114.759 0.000 . . . . . . A 83 SER N . 34604 1 927 . 1 . 1 87 87 ASN H H 1 8.023 0.000 . . . . . . A 84 ASN H . 34604 1 928 . 1 . 1 87 87 ASN HA H 1 4.609 0.000 . . . . . . A 84 ASN HA . 34604 1 929 . 1 . 1 87 87 ASN HB2 H 1 2.609 0.000 . . . . . . A 84 ASN HB2 . 34604 1 930 . 1 . 1 87 87 ASN HB3 H 1 3.299 0.000 . . . . . . A 84 ASN HB3 . 34604 1 931 . 1 . 1 87 87 ASN HD21 H 1 7.230 0.000 . . . . . . A 84 ASN HD21 . 34604 1 932 . 1 . 1 87 87 ASN HD22 H 1 8.293 0.000 . . . . . . A 84 ASN HD22 . 34604 1 933 . 1 . 1 87 87 ASN CA C 13 55.288 0.000 . . . . . . A 84 ASN CA . 34604 1 934 . 1 . 1 87 87 ASN CB C 13 37.370 0.008 . . . . . . A 84 ASN CB . 34604 1 935 . 1 . 1 87 87 ASN N N 15 119.728 0.000 . . . . . . A 84 ASN N . 34604 1 936 . 1 . 1 87 87 ASN ND2 N 15 113.374 0.004 . . . . . . A 84 ASN ND2 . 34604 1 937 . 1 . 1 88 88 ILE H H 1 7.780 0.000 . . . . . . A 85 ILE H . 34604 1 938 . 1 . 1 88 88 ILE HA H 1 3.842 0.000 . . . . . . A 85 ILE HA . 34604 1 939 . 1 . 1 88 88 ILE HB H 1 2.025 0.000 . . . . . . A 85 ILE HB . 34604 1 940 . 1 . 1 88 88 ILE HG12 H 1 0.994 0.000 . . . . . . A 85 ILE HG12 . 34604 1 941 . 1 . 1 88 88 ILE HG13 H 1 1.549 0.000 . . . . . . A 85 ILE HG13 . 34604 1 942 . 1 . 1 88 88 ILE HG21 H 1 0.432 0.000 . . . . . . A 85 ILE HG21 . 34604 1 943 . 1 . 1 88 88 ILE HG22 H 1 0.432 0.000 . . . . . . A 85 ILE HG22 . 34604 1 944 . 1 . 1 88 88 ILE HG23 H 1 0.432 0.000 . . . . . . A 85 ILE HG23 . 34604 1 945 . 1 . 1 88 88 ILE HD11 H 1 0.860 0.000 . . . . . . A 85 ILE HD11 . 34604 1 946 . 1 . 1 88 88 ILE HD12 H 1 0.860 0.000 . . . . . . A 85 ILE HD12 . 34604 1 947 . 1 . 1 88 88 ILE HD13 H 1 0.860 0.000 . . . . . . A 85 ILE HD13 . 34604 1 948 . 1 . 1 88 88 ILE CA C 13 64.784 0.000 . . . . . . A 85 ILE CA . 34604 1 949 . 1 . 1 88 88 ILE CB C 13 37.137 0.000 . . . . . . A 85 ILE CB . 34604 1 950 . 1 . 1 88 88 ILE CG1 C 13 28.974 0.008 . . . . . . A 85 ILE CG1 . 34604 1 951 . 1 . 1 88 88 ILE CG2 C 13 17.977 0.000 . . . . . . A 85 ILE CG2 . 34604 1 952 . 1 . 1 88 88 ILE CD1 C 13 13.962 0.000 . . . . . . A 85 ILE CD1 . 34604 1 953 . 1 . 1 88 88 ILE N N 15 122.362 0.000 . . . . . . A 85 ILE N . 34604 1 954 . 1 . 1 89 89 CYS H H 1 8.380 0.000 . . . . . . A 86 CYS H . 34604 1 955 . 1 . 1 89 89 CYS HA H 1 3.958 0.000 . . . . . . A 86 CYS HA . 34604 1 956 . 1 . 1 89 89 CYS HB2 H 1 3.083 0.000 . . . . . . A 86 CYS HB2 . 34604 1 957 . 1 . 1 89 89 CYS HB3 H 1 3.083 0.000 . . . . . . A 86 CYS HB3 . 34604 1 958 . 1 . 1 89 89 CYS CA C 13 63.786 0.000 . . . . . . A 86 CYS CA . 34604 1 959 . 1 . 1 89 89 CYS CB C 13 26.676 0.000 . . . . . . A 86 CYS CB . 34604 1 960 . 1 . 1 89 89 CYS N N 15 119.491 0.000 . . . . . . A 86 CYS N . 34604 1 961 . 1 . 1 90 90 ARG H H 1 7.952 0.000 . . . . . . A 87 ARG H . 34604 1 962 . 1 . 1 90 90 ARG HA H 1 4.034 0.000 . . . . . . A 87 ARG HA . 34604 1 963 . 1 . 1 90 90 ARG HB2 H 1 1.972 0.000 . . . . . . A 87 ARG HB2 . 34604 1 964 . 1 . 1 90 90 ARG HB3 H 1 1.972 0.000 . . . . . . A 87 ARG HB3 . 34604 1 965 . 1 . 1 90 90 ARG HG2 H 1 1.827 0.000 . . . . . . A 87 ARG HG2 . 34604 1 966 . 1 . 1 90 90 ARG HG3 H 1 1.656 0.000 . . . . . . A 87 ARG HG3 . 34604 1 967 . 1 . 1 90 90 ARG HD2 H 1 3.168 0.000 . . . . . . A 87 ARG HD2 . 34604 1 968 . 1 . 1 90 90 ARG HD3 H 1 3.218 0.000 . . . . . . A 87 ARG HD3 . 34604 1 969 . 1 . 1 90 90 ARG CA C 13 59.506 0.000 . . . . . . A 87 ARG CA . 34604 1 970 . 1 . 1 90 90 ARG CB C 13 30.272 0.000 . . . . . . A 87 ARG CB . 34604 1 971 . 1 . 1 90 90 ARG CG C 13 27.784 0.028 . . . . . . A 87 ARG CG . 34604 1 972 . 1 . 1 90 90 ARG CD C 13 43.314 0.003 . . . . . . A 87 ARG CD . 34604 1 973 . 1 . 1 90 90 ARG N N 15 119.126 0.000 . . . . . . A 87 ARG N . 34604 1 974 . 1 . 1 91 91 PHE H H 1 7.797 0.000 . . . . . . A 88 PHE H . 34604 1 975 . 1 . 1 91 91 PHE HA H 1 4.240 0.000 . . . . . . A 88 PHE HA . 34604 1 976 . 1 . 1 91 91 PHE HB2 H 1 3.084 0.000 . . . . . . A 88 PHE HB2 . 34604 1 977 . 1 . 1 91 91 PHE HB3 H 1 3.394 0.000 . . . . . . A 88 PHE HB3 . 34604 1 978 . 1 . 1 91 91 PHE HD1 H 1 7.032 0.000 . . . . . . A 88 PHE HD1 . 34604 1 979 . 1 . 1 91 91 PHE HD2 H 1 7.032 0.000 . . . . . . A 88 PHE HD2 . 34604 1 980 . 1 . 1 91 91 PHE CA C 13 61.432 0.000 . . . . . . A 88 PHE CA . 34604 1 981 . 1 . 1 91 91 PHE CB C 13 39.686 0.013 . . . . . . A 88 PHE CB . 34604 1 982 . 1 . 1 91 91 PHE CD1 C 13 132.235 0.000 . . . . . . A 88 PHE CD1 . 34604 1 983 . 1 . 1 91 91 PHE CD2 C 13 132.235 0.000 . . . . . . A 88 PHE CD2 . 34604 1 984 . 1 . 1 91 91 PHE N N 15 120.438 0.000 . . . . . . A 88 PHE N . 34604 1 985 . 1 . 1 92 92 LEU H H 1 8.700 0.000 . . . . . . A 89 LEU H . 34604 1 986 . 1 . 1 92 92 LEU HA H 1 3.655 0.000 . . . . . . A 89 LEU HA . 34604 1 987 . 1 . 1 92 92 LEU HB2 H 1 1.207 0.000 . . . . . . A 89 LEU HB2 . 34604 1 988 . 1 . 1 92 92 LEU HB3 H 1 1.728 0.000 . . . . . . A 89 LEU HB3 . 34604 1 989 . 1 . 1 92 92 LEU HG H 1 1.692 0.000 . . . . . . A 89 LEU HG . 34604 1 990 . 1 . 1 92 92 LEU HD11 H 1 0.386 0.000 . . . . . . A 89 LEU HD11 . 34604 1 991 . 1 . 1 92 92 LEU HD12 H 1 0.386 0.000 . . . . . . A 89 LEU HD12 . 34604 1 992 . 1 . 1 92 92 LEU HD13 H 1 0.386 0.000 . . . . . . A 89 LEU HD13 . 34604 1 993 . 1 . 1 92 92 LEU HD21 H 1 0.747 0.000 . . . . . . A 89 LEU HD21 . 34604 1 994 . 1 . 1 92 92 LEU HD22 H 1 0.747 0.000 . . . . . . A 89 LEU HD22 . 34604 1 995 . 1 . 1 92 92 LEU HD23 H 1 0.747 0.000 . . . . . . A 89 LEU HD23 . 34604 1 996 . 1 . 1 92 92 LEU CA C 13 57.368 0.000 . . . . . . A 89 LEU CA . 34604 1 997 . 1 . 1 92 92 LEU CB C 13 41.639 0.054 . . . . . . A 89 LEU CB . 34604 1 998 . 1 . 1 92 92 LEU CG C 13 26.877 0.000 . . . . . . A 89 LEU CG . 34604 1 999 . 1 . 1 92 92 LEU CD1 C 13 26.403 0.000 . . . . . . A 89 LEU CD1 . 34604 1 1000 . 1 . 1 92 92 LEU CD2 C 13 22.747 0.000 . . . . . . A 89 LEU CD2 . 34604 1 1001 . 1 . 1 92 92 LEU N N 15 118.334 0.000 . . . . . . A 89 LEU N . 34604 1 1002 . 1 . 1 93 93 THR H H 1 7.760 0.000 . . . . . . A 90 THR H . 34604 1 1003 . 1 . 1 93 93 THR HA H 1 3.973 0.000 . . . . . . A 90 THR HA . 34604 1 1004 . 1 . 1 93 93 THR HB H 1 4.192 0.000 . . . . . . A 90 THR HB . 34604 1 1005 . 1 . 1 93 93 THR HG21 H 1 1.244 0.000 . . . . . . A 90 THR HG21 . 34604 1 1006 . 1 . 1 93 93 THR HG22 H 1 1.244 0.000 . . . . . . A 90 THR HG22 . 34604 1 1007 . 1 . 1 93 93 THR HG23 H 1 1.244 0.000 . . . . . . A 90 THR HG23 . 34604 1 1008 . 1 . 1 93 93 THR CA C 13 65.298 0.000 . . . . . . A 90 THR CA . 34604 1 1009 . 1 . 1 93 93 THR CB C 13 69.163 0.000 . . . . . . A 90 THR CB . 34604 1 1010 . 1 . 1 93 93 THR CG2 C 13 21.409 0.000 . . . . . . A 90 THR CG2 . 34604 1 1011 . 1 . 1 93 93 THR N N 15 112.368 0.000 . . . . . . A 90 THR N . 34604 1 1012 . 1 . 1 94 94 ALA H H 1 7.209 0.000 . . . . . . A 91 ALA H . 34604 1 1013 . 1 . 1 94 94 ALA HA H 1 4.276 0.000 . . . . . . A 91 ALA HA . 34604 1 1014 . 1 . 1 94 94 ALA HB1 H 1 1.351 0.000 . . . . . . A 91 ALA HB1 . 34604 1 1015 . 1 . 1 94 94 ALA HB2 H 1 1.351 0.000 . . . . . . A 91 ALA HB2 . 34604 1 1016 . 1 . 1 94 94 ALA HB3 H 1 1.351 0.000 . . . . . . A 91 ALA HB3 . 34604 1 1017 . 1 . 1 94 94 ALA CA C 13 52.848 0.000 . . . . . . A 91 ALA CA . 34604 1 1018 . 1 . 1 94 94 ALA CB C 13 19.843 0.000 . . . . . . A 91 ALA CB . 34604 1 1019 . 1 . 1 94 94 ALA N N 15 122.299 0.000 . . . . . . A 91 ALA N . 34604 1 1020 . 1 . 1 95 95 SER H H 1 7.535 0.000 . . . . . . A 92 SER H . 34604 1 1021 . 1 . 1 95 95 SER HA H 1 4.134 0.000 . . . . . . A 92 SER HA . 34604 1 1022 . 1 . 1 95 95 SER HB2 H 1 3.036 0.000 . . . . . . A 92 SER HB2 . 34604 1 1023 . 1 . 1 95 95 SER HB3 H 1 3.083 0.000 . . . . . . A 92 SER HB3 . 34604 1 1024 . 1 . 1 95 95 SER CA C 13 57.474 0.000 . . . . . . A 92 SER CA . 34604 1 1025 . 1 . 1 95 95 SER CB C 13 63.928 0.008 . . . . . . A 92 SER CB . 34604 1 1026 . 1 . 1 95 95 SER N N 15 113.103 0.000 . . . . . . A 92 SER N . 34604 1 1027 . 1 . 1 96 96 GLN HA H 1 4.222 0.000 . . . . . . A 93 GLN HA . 34604 1 1028 . 1 . 1 96 96 GLN HB2 H 1 2.049 0.000 . . . . . . A 93 GLN HB2 . 34604 1 1029 . 1 . 1 96 96 GLN HB3 H 1 2.100 0.000 . . . . . . A 93 GLN HB3 . 34604 1 1030 . 1 . 1 96 96 GLN HG2 H 1 2.409 0.000 . . . . . . A 93 GLN HG2 . 34604 1 1031 . 1 . 1 96 96 GLN HG3 H 1 2.409 0.000 . . . . . . A 93 GLN HG3 . 34604 1 1032 . 1 . 1 96 96 GLN HE21 H 1 6.865 0.000 . . . . . . A 93 GLN HE21 . 34604 1 1033 . 1 . 1 96 96 GLN HE22 H 1 7.533 0.000 . . . . . . A 93 GLN HE22 . 34604 1 1034 . 1 . 1 96 96 GLN CA C 13 57.722 0.000 . . . . . . A 93 GLN CA . 34604 1 1035 . 1 . 1 96 96 GLN CB C 13 28.946 0.003 . . . . . . A 93 GLN CB . 34604 1 1036 . 1 . 1 96 96 GLN CG C 13 33.904 0.000 . . . . . . A 93 GLN CG . 34604 1 1037 . 1 . 1 96 96 GLN NE2 N 15 112.914 0.008 . . . . . . A 93 GLN NE2 . 34604 1 1038 . 1 . 1 97 97 ASP H H 1 7.850 0.000 . . . . . . A 94 ASP H . 34604 1 1039 . 1 . 1 97 97 ASP HA H 1 4.568 0.000 . . . . . . A 94 ASP HA . 34604 1 1040 . 1 . 1 97 97 ASP HB2 H 1 2.574 0.000 . . . . . . A 94 ASP HB2 . 34604 1 1041 . 1 . 1 97 97 ASP HB3 H 1 2.871 0.000 . . . . . . A 94 ASP HB3 . 34604 1 1042 . 1 . 1 97 97 ASP CA C 13 53.973 0.000 . . . . . . A 94 ASP CA . 34604 1 1043 . 1 . 1 97 97 ASP CB C 13 41.570 0.002 . . . . . . A 94 ASP CB . 34604 1 1044 . 1 . 1 97 97 ASP N N 15 116.594 0.000 . . . . . . A 94 ASP N . 34604 1 1045 . 1 . 1 99 99 ILE HA H 1 4.355 0.000 . . . . . . A 96 ILE HA . 34604 1 1046 . 1 . 1 99 99 ILE HB H 1 1.688 0.000 . . . . . . A 96 ILE HB . 34604 1 1047 . 1 . 1 99 99 ILE HG12 H 1 0.722 0.000 . . . . . . A 96 ILE HG12 . 34604 1 1048 . 1 . 1 99 99 ILE HG13 H 1 1.515 0.000 . . . . . . A 96 ILE HG13 . 34604 1 1049 . 1 . 1 99 99 ILE HG21 H 1 0.959 0.000 . . . . . . A 96 ILE HG21 . 34604 1 1050 . 1 . 1 99 99 ILE HG22 H 1 0.959 0.000 . . . . . . A 96 ILE HG22 . 34604 1 1051 . 1 . 1 99 99 ILE HG23 H 1 0.959 0.000 . . . . . . A 96 ILE HG23 . 34604 1 1052 . 1 . 1 99 99 ILE HD11 H 1 0.812 0.000 . . . . . . A 96 ILE HD11 . 34604 1 1053 . 1 . 1 99 99 ILE HD12 H 1 0.812 0.000 . . . . . . A 96 ILE HD12 . 34604 1 1054 . 1 . 1 99 99 ILE HD13 H 1 0.812 0.000 . . . . . . A 96 ILE HD13 . 34604 1 1055 . 1 . 1 99 99 ILE CA C 13 60.865 0.000 . . . . . . A 96 ILE CA . 34604 1 1056 . 1 . 1 99 99 ILE CB C 13 37.875 0.000 . . . . . . A 96 ILE CB . 34604 1 1057 . 1 . 1 99 99 ILE CG1 C 13 27.495 0.017 . . . . . . A 96 ILE CG1 . 34604 1 1058 . 1 . 1 99 99 ILE CG2 C 13 18.959 0.000 . . . . . . A 96 ILE CG2 . 34604 1 1059 . 1 . 1 99 99 ILE CD1 C 13 13.519 0.000 . . . . . . A 96 ILE CD1 . 34604 1 1060 . 1 . 1 100 100 LEU H H 1 8.665 0.000 . . . . . . A 97 LEU H . 34604 1 1061 . 1 . 1 100 100 LEU HA H 1 3.112 0.000 . . . . . . A 97 LEU HA . 34604 1 1062 . 1 . 1 100 100 LEU HB2 H 1 0.503 0.000 . . . . . . A 97 LEU HB2 . 34604 1 1063 . 1 . 1 100 100 LEU HB3 H 1 0.200 0.000 . . . . . . A 97 LEU HB3 . 34604 1 1064 . 1 . 1 100 100 LEU HG H 1 0.109 0.000 . . . . . . A 97 LEU HG . 34604 1 1065 . 1 . 1 100 100 LEU HD11 H 1 -0.396 0.000 . . . . . . A 97 LEU HD11 . 34604 1 1066 . 1 . 1 100 100 LEU HD12 H 1 -0.396 0.000 . . . . . . A 97 LEU HD12 . 34604 1 1067 . 1 . 1 100 100 LEU HD13 H 1 -0.396 0.000 . . . . . . A 97 LEU HD13 . 34604 1 1068 . 1 . 1 100 100 LEU HD21 H 1 -0.247 0.000 . . . . . . A 97 LEU HD21 . 34604 1 1069 . 1 . 1 100 100 LEU HD22 H 1 -0.247 0.000 . . . . . . A 97 LEU HD22 . 34604 1 1070 . 1 . 1 100 100 LEU HD23 H 1 -0.247 0.000 . . . . . . A 97 LEU HD23 . 34604 1 1071 . 1 . 1 100 100 LEU CA C 13 57.894 0.000 . . . . . . A 97 LEU CA . 34604 1 1072 . 1 . 1 100 100 LEU CB C 13 42.962 0.001 . . . . . . A 97 LEU CB . 34604 1 1073 . 1 . 1 100 100 LEU CG C 13 26.077 0.000 . . . . . . A 97 LEU CG . 34604 1 1074 . 1 . 1 100 100 LEU CD1 C 13 23.252 0.000 . . . . . . A 97 LEU CD1 . 34604 1 1075 . 1 . 1 100 100 LEU CD2 C 13 24.208 0.000 . . . . . . A 97 LEU CD2 . 34604 1 1076 . 1 . 1 100 100 LEU N N 15 131.315 0.000 . . . . . . A 97 LEU N . 34604 1 1077 . 1 . 1 101 101 PHE H H 1 8.528 0.000 . . . . . . A 98 PHE H . 34604 1 1078 . 1 . 1 101 101 PHE HA H 1 5.101 0.000 . . . . . . A 98 PHE HA . 34604 1 1079 . 1 . 1 101 101 PHE HB2 H 1 2.654 0.000 . . . . . . A 98 PHE HB2 . 34604 1 1080 . 1 . 1 101 101 PHE HB3 H 1 3.415 0.000 . . . . . . A 98 PHE HB3 . 34604 1 1081 . 1 . 1 101 101 PHE HD1 H 1 7.125 0.000 . . . . . . A 98 PHE HD1 . 34604 1 1082 . 1 . 1 101 101 PHE HD2 H 1 7.125 0.000 . . . . . . A 98 PHE HD2 . 34604 1 1083 . 1 . 1 101 101 PHE CA C 13 55.554 0.000 . . . . . . A 98 PHE CA . 34604 1 1084 . 1 . 1 101 101 PHE CB C 13 37.568 0.029 . . . . . . A 98 PHE CB . 34604 1 1085 . 1 . 1 101 101 PHE CD1 C 13 129.790 0.000 . . . . . . A 98 PHE CD1 . 34604 1 1086 . 1 . 1 101 101 PHE CD2 C 13 129.790 0.000 . . . . . . A 98 PHE CD2 . 34604 1 1087 . 1 . 1 101 101 PHE N N 15 113.837 0.000 . . . . . . A 98 PHE N . 34604 1 1088 . 1 . 1 102 102 LYS H H 1 6.799 0.000 . . . . . . A 99 LYS H . 34604 1 1089 . 1 . 1 102 102 LYS HA H 1 3.876 0.000 . . . . . . A 99 LYS HA . 34604 1 1090 . 1 . 1 102 102 LYS HB2 H 1 1.829 0.000 . . . . . . A 99 LYS HB2 . 34604 1 1091 . 1 . 1 102 102 LYS HB3 H 1 1.880 0.000 . . . . . . A 99 LYS HB3 . 34604 1 1092 . 1 . 1 102 102 LYS HG2 H 1 1.636 0.000 . . . . . . A 99 LYS HG2 . 34604 1 1093 . 1 . 1 102 102 LYS HG3 H 1 1.392 0.000 . . . . . . A 99 LYS HG3 . 34604 1 1094 . 1 . 1 102 102 LYS HD2 H 1 1.826 0.000 . . . . . . A 99 LYS HD2 . 34604 1 1095 . 1 . 1 102 102 LYS HD3 H 1 1.864 0.000 . . . . . . A 99 LYS HD3 . 34604 1 1096 . 1 . 1 102 102 LYS HE2 H 1 3.101 0.000 . . . . . . A 99 LYS HE2 . 34604 1 1097 . 1 . 1 102 102 LYS HE3 H 1 3.101 0.000 . . . . . . A 99 LYS HE3 . 34604 1 1098 . 1 . 1 102 102 LYS CA C 13 61.084 0.000 . . . . . . A 99 LYS CA . 34604 1 1099 . 1 . 1 102 102 LYS CB C 13 33.484 0.007 . . . . . . A 99 LYS CB . 34604 1 1100 . 1 . 1 102 102 LYS CG C 13 24.205 0.006 . . . . . . A 99 LYS CG . 34604 1 1101 . 1 . 1 102 102 LYS CD C 13 29.544 0.001 . . . . . . A 99 LYS CD . 34604 1 1102 . 1 . 1 102 102 LYS CE C 13 41.743 0.000 . . . . . . A 99 LYS CE . 34604 1 1103 . 1 . 1 102 102 LYS N N 15 119.569 0.000 . . . . . . A 99 LYS N . 34604 1 1104 . 1 . 1 103 103 ASP H H 1 8.585 0.000 . . . . . . A 100 ASP H . 34604 1 1105 . 1 . 1 103 103 ASP HA H 1 4.627 0.000 . . . . . . A 100 ASP HA . 34604 1 1106 . 1 . 1 103 103 ASP HB2 H 1 2.704 0.000 . . . . . . A 100 ASP HB2 . 34604 1 1107 . 1 . 1 103 103 ASP HB3 H 1 2.795 0.000 . . . . . . A 100 ASP HB3 . 34604 1 1108 . 1 . 1 103 103 ASP CA C 13 57.785 0.000 . . . . . . A 100 ASP CA . 34604 1 1109 . 1 . 1 103 103 ASP CB C 13 40.325 0.004 . . . . . . A 100 ASP CB . 34604 1 1110 . 1 . 1 103 103 ASP N N 15 117.895 0.000 . . . . . . A 100 ASP N . 34604 1 1111 . 1 . 1 104 104 VAL H H 1 8.330 0.000 . . . . . . A 101 VAL H . 34604 1 1112 . 1 . 1 104 104 VAL HA H 1 3.880 0.000 . . . . . . A 101 VAL HA . 34604 1 1113 . 1 . 1 104 104 VAL HB H 1 2.186 0.000 . . . . . . A 101 VAL HB . 34604 1 1114 . 1 . 1 104 104 VAL HG11 H 1 1.135 0.000 . . . . . . A 101 VAL HG11 . 34604 1 1115 . 1 . 1 104 104 VAL HG12 H 1 1.135 0.000 . . . . . . A 101 VAL HG12 . 34604 1 1116 . 1 . 1 104 104 VAL HG13 H 1 1.135 0.000 . . . . . . A 101 VAL HG13 . 34604 1 1117 . 1 . 1 104 104 VAL HG21 H 1 0.989 0.000 . . . . . . A 101 VAL HG21 . 34604 1 1118 . 1 . 1 104 104 VAL HG22 H 1 0.989 0.000 . . . . . . A 101 VAL HG22 . 34604 1 1119 . 1 . 1 104 104 VAL HG23 H 1 0.989 0.000 . . . . . . A 101 VAL HG23 . 34604 1 1120 . 1 . 1 104 104 VAL CA C 13 65.724 0.000 . . . . . . A 101 VAL CA . 34604 1 1121 . 1 . 1 104 104 VAL CB C 13 32.133 0.000 . . . . . . A 101 VAL CB . 34604 1 1122 . 1 . 1 104 104 VAL CG1 C 13 23.564 0.000 . . . . . . A 101 VAL CG1 . 34604 1 1123 . 1 . 1 104 104 VAL CG2 C 13 21.361 0.000 . . . . . . A 101 VAL CG2 . 34604 1 1124 . 1 . 1 104 104 VAL N N 15 122.938 0.000 . . . . . . A 101 VAL N . 34604 1 1125 . 1 . 1 105 105 ASN H H 1 9.100 0.000 . . . . . . A 102 ASN H . 34604 1 1126 . 1 . 1 105 105 ASN HA H 1 4.580 0.000 . . . . . . A 102 ASN HA . 34604 1 1127 . 1 . 1 105 105 ASN HB2 H 1 2.916 0.000 . . . . . . A 102 ASN HB2 . 34604 1 1128 . 1 . 1 105 105 ASN HB3 H 1 3.016 0.000 . . . . . . A 102 ASN HB3 . 34604 1 1129 . 1 . 1 105 105 ASN HD21 H 1 7.843 0.000 . . . . . . A 102 ASN HD21 . 34604 1 1130 . 1 . 1 105 105 ASN HD22 H 1 5.611 0.000 . . . . . . A 102 ASN HD22 . 34604 1 1131 . 1 . 1 105 105 ASN CA C 13 56.165 0.000 . . . . . . A 102 ASN CA . 34604 1 1132 . 1 . 1 105 105 ASN CB C 13 37.837 0.026 . . . . . . A 102 ASN CB . 34604 1 1133 . 1 . 1 105 105 ASN N N 15 121.351 0.000 . . . . . . A 102 ASN N . 34604 1 1134 . 1 . 1 105 105 ASN ND2 N 15 106.041 0.026 . . . . . . A 102 ASN ND2 . 34604 1 1135 . 1 . 1 106 106 ARG H H 1 7.701 0.000 . . . . . . A 103 ARG H . 34604 1 1136 . 1 . 1 106 106 ARG HA H 1 4.174 0.000 . . . . . . A 103 ARG HA . 34604 1 1137 . 1 . 1 106 106 ARG HB2 H 1 2.064 0.000 . . . . . . A 103 ARG HB2 . 34604 1 1138 . 1 . 1 106 106 ARG HB3 H 1 2.168 0.000 . . . . . . A 103 ARG HB3 . 34604 1 1139 . 1 . 1 106 106 ARG HG2 H 1 1.764 0.000 . . . . . . A 103 ARG HG2 . 34604 1 1140 . 1 . 1 106 106 ARG HG3 H 1 1.764 0.000 . . . . . . A 103 ARG HG3 . 34604 1 1141 . 1 . 1 106 106 ARG HD2 H 1 3.271 0.000 . . . . . . A 103 ARG HD2 . 34604 1 1142 . 1 . 1 106 106 ARG HD3 H 1 3.349 0.000 . . . . . . A 103 ARG HD3 . 34604 1 1143 . 1 . 1 106 106 ARG CA C 13 58.944 0.000 . . . . . . A 103 ARG CA . 34604 1 1144 . 1 . 1 106 106 ARG CB C 13 29.626 0.001 . . . . . . A 103 ARG CB . 34604 1 1145 . 1 . 1 106 106 ARG CG C 13 26.877 0.000 . . . . . . A 103 ARG CG . 34604 1 1146 . 1 . 1 106 106 ARG CD C 13 43.022 0.002 . . . . . . A 103 ARG CD . 34604 1 1147 . 1 . 1 106 106 ARG N N 15 120.871 0.000 . . . . . . A 103 ARG N . 34604 1 1148 . 1 . 1 107 107 LYS HA H 1 4.203 0.000 . . . . . . A 104 LYS HA . 34604 1 1149 . 1 . 1 107 107 LYS HB2 H 1 1.950 0.000 . . . . . . A 104 LYS HB2 . 34604 1 1150 . 1 . 1 107 107 LYS HB3 H 1 2.058 0.000 . . . . . . A 104 LYS HB3 . 34604 1 1151 . 1 . 1 107 107 LYS HG2 H 1 1.513 0.000 . . . . . . A 104 LYS HG2 . 34604 1 1152 . 1 . 1 107 107 LYS HG3 H 1 1.689 0.000 . . . . . . A 104 LYS HG3 . 34604 1 1153 . 1 . 1 107 107 LYS HD3 H 1 1.820 0.000 . . . . . . A 104 LYS HD3 . 34604 1 1154 . 1 . 1 107 107 LYS HE2 H 1 2.931 0.000 . . . . . . A 104 LYS HE2 . 34604 1 1155 . 1 . 1 107 107 LYS HE3 H 1 2.931 0.000 . . . . . . A 104 LYS HE3 . 34604 1 1156 . 1 . 1 107 107 LYS CA C 13 60.137 0.000 . . . . . . A 104 LYS CA . 34604 1 1157 . 1 . 1 107 107 LYS CB C 13 32.399 0.006 . . . . . . A 104 LYS CB . 34604 1 1158 . 1 . 1 107 107 LYS CG C 13 25.847 0.007 . . . . . . A 104 LYS CG . 34604 1 1159 . 1 . 1 107 107 LYS CD C 13 29.017 0.000 . . . . . . A 104 LYS CD . 34604 1 1160 . 1 . 1 107 107 LYS CE C 13 41.635 0.000 . . . . . . A 104 LYS CE . 34604 1 1161 . 1 . 1 108 108 LEU H H 1 9.050 0.000 . . . . . . A 105 LEU H . 34604 1 1162 . 1 . 1 108 108 LEU HA H 1 4.097 0.000 . . . . . . A 105 LEU HA . 34604 1 1163 . 1 . 1 108 108 LEU HB2 H 1 1.566 0.000 . . . . . . A 105 LEU HB2 . 34604 1 1164 . 1 . 1 108 108 LEU HB3 H 1 2.289 0.000 . . . . . . A 105 LEU HB3 . 34604 1 1165 . 1 . 1 108 108 LEU HG H 1 1.923 0.000 . . . . . . A 105 LEU HG . 34604 1 1166 . 1 . 1 108 108 LEU HD11 H 1 0.757 0.000 . . . . . . A 105 LEU HD11 . 34604 1 1167 . 1 . 1 108 108 LEU HD12 H 1 0.757 0.000 . . . . . . A 105 LEU HD12 . 34604 1 1168 . 1 . 1 108 108 LEU HD13 H 1 0.757 0.000 . . . . . . A 105 LEU HD13 . 34604 1 1169 . 1 . 1 108 108 LEU HD21 H 1 0.771 0.000 . . . . . . A 105 LEU HD21 . 34604 1 1170 . 1 . 1 108 108 LEU HD22 H 1 0.771 0.000 . . . . . . A 105 LEU HD22 . 34604 1 1171 . 1 . 1 108 108 LEU HD23 H 1 0.771 0.000 . . . . . . A 105 LEU HD23 . 34604 1 1172 . 1 . 1 108 108 LEU CA C 13 58.427 0.000 . . . . . . A 105 LEU CA . 34604 1 1173 . 1 . 1 108 108 LEU CB C 13 42.523 0.002 . . . . . . A 105 LEU CB . 34604 1 1174 . 1 . 1 108 108 LEU CG C 13 27.026 0.000 . . . . . . A 105 LEU CG . 34604 1 1175 . 1 . 1 108 108 LEU CD1 C 13 25.680 0.000 . . . . . . A 105 LEU CD1 . 34604 1 1176 . 1 . 1 108 108 LEU CD2 C 13 23.900 0.000 . . . . . . A 105 LEU CD2 . 34604 1 1177 . 1 . 1 108 108 LEU N N 15 118.569 0.000 . . . . . . A 105 LEU N . 34604 1 1178 . 1 . 1 109 109 SER H H 1 8.062 0.000 . . . . . . A 106 SER H . 34604 1 1179 . 1 . 1 109 109 SER HA H 1 3.840 0.000 . . . . . . A 106 SER HA . 34604 1 1180 . 1 . 1 109 109 SER HB2 H 1 3.692 0.000 . . . . . . A 106 SER HB2 . 34604 1 1181 . 1 . 1 109 109 SER HB3 H 1 3.801 0.000 . . . . . . A 106 SER HB3 . 34604 1 1182 . 1 . 1 109 109 SER CA C 13 61.346 0.000 . . . . . . A 106 SER CA . 34604 1 1183 . 1 . 1 109 109 SER CB C 13 62.622 0.003 . . . . . . A 106 SER CB . 34604 1 1184 . 1 . 1 109 109 SER N N 15 111.929 0.000 . . . . . . A 106 SER N . 34604 1 1185 . 1 . 1 110 110 ASP H H 1 8.531 0.000 . . . . . . A 107 ASP H . 34604 1 1186 . 1 . 1 110 110 ASP HA H 1 4.448 0.000 . . . . . . A 107 ASP HA . 34604 1 1187 . 1 . 1 110 110 ASP HB2 H 1 2.960 0.000 . . . . . . A 107 ASP HB2 . 34604 1 1188 . 1 . 1 110 110 ASP HB3 H 1 2.713 0.000 . . . . . . A 107 ASP HB3 . 34604 1 1189 . 1 . 1 110 110 ASP CA C 13 57.806 0.000 . . . . . . A 107 ASP CA . 34604 1 1190 . 1 . 1 110 110 ASP CB C 13 40.545 0.008 . . . . . . A 107 ASP CB . 34604 1 1191 . 1 . 1 110 110 ASP N N 15 121.926 0.000 . . . . . . A 107 ASP N . 34604 1 1192 . 1 . 1 111 111 VAL H H 1 8.883 0.000 . . . . . . A 108 VAL H . 34604 1 1193 . 1 . 1 111 111 VAL HA H 1 4.062 0.000 . . . . . . A 108 VAL HA . 34604 1 1194 . 1 . 1 111 111 VAL HB H 1 2.357 0.000 . . . . . . A 108 VAL HB . 34604 1 1195 . 1 . 1 111 111 VAL HG11 H 1 1.180 0.000 . . . . . . A 108 VAL HG11 . 34604 1 1196 . 1 . 1 111 111 VAL HG12 H 1 1.180 0.000 . . . . . . A 108 VAL HG12 . 34604 1 1197 . 1 . 1 111 111 VAL HG13 H 1 1.180 0.000 . . . . . . A 108 VAL HG13 . 34604 1 1198 . 1 . 1 111 111 VAL HG21 H 1 1.264 0.000 . . . . . . A 108 VAL HG21 . 34604 1 1199 . 1 . 1 111 111 VAL HG22 H 1 1.264 0.000 . . . . . . A 108 VAL HG22 . 34604 1 1200 . 1 . 1 111 111 VAL HG23 H 1 1.264 0.000 . . . . . . A 108 VAL HG23 . 34604 1 1201 . 1 . 1 111 111 VAL CA C 13 65.428 0.000 . . . . . . A 108 VAL CA . 34604 1 1202 . 1 . 1 111 111 VAL CB C 13 31.357 0.000 . . . . . . A 108 VAL CB . 34604 1 1203 . 1 . 1 111 111 VAL CG1 C 13 22.137 0.000 . . . . . . A 108 VAL CG1 . 34604 1 1204 . 1 . 1 111 111 VAL CG2 C 13 23.331 0.000 . . . . . . A 108 VAL CG2 . 34604 1 1205 . 1 . 1 111 111 VAL N N 15 119.101 0.000 . . . . . . A 108 VAL N . 34604 1 1206 . 1 . 1 112 112 TRP H H 1 8.772 0.000 . . . . . . A 109 TRP H . 34604 1 1207 . 1 . 1 112 112 TRP HA H 1 4.353 0.000 . . . . . . A 109 TRP HA . 34604 1 1208 . 1 . 1 112 112 TRP HB2 H 1 3.430 0.000 . . . . . . A 109 TRP HB2 . 34604 1 1209 . 1 . 1 112 112 TRP HB3 H 1 3.308 0.000 . . . . . . A 109 TRP HB3 . 34604 1 1210 . 1 . 1 112 112 TRP HD1 H 1 6.960 0.000 . . . . . . A 109 TRP HD1 . 34604 1 1211 . 1 . 1 112 112 TRP HE1 H 1 9.906 0.000 . . . . . . A 109 TRP HE1 . 34604 1 1212 . 1 . 1 112 112 TRP HE3 H 1 6.922 0.000 . . . . . . A 109 TRP HE3 . 34604 1 1213 . 1 . 1 112 112 TRP HZ2 H 1 7.330 0.000 . . . . . . A 109 TRP HZ2 . 34604 1 1214 . 1 . 1 112 112 TRP HZ3 H 1 6.516 0.000 . . . . . . A 109 TRP HZ3 . 34604 1 1215 . 1 . 1 112 112 TRP HH2 H 1 6.928 0.000 . . . . . . A 109 TRP HH2 . 34604 1 1216 . 1 . 1 112 112 TRP CA C 13 60.025 0.000 . . . . . . A 109 TRP CA . 34604 1 1217 . 1 . 1 112 112 TRP CB C 13 29.377 0.005 . . . . . . A 109 TRP CB . 34604 1 1218 . 1 . 1 112 112 TRP CD1 C 13 126.460 0.000 . . . . . . A 109 TRP CD1 . 34604 1 1219 . 1 . 1 112 112 TRP CE3 C 13 120.473 0.000 . . . . . . A 109 TRP CE3 . 34604 1 1220 . 1 . 1 112 112 TRP CZ2 C 13 113.955 0.000 . . . . . . A 109 TRP CZ2 . 34604 1 1221 . 1 . 1 112 112 TRP CZ3 C 13 122.128 0.000 . . . . . . A 109 TRP CZ3 . 34604 1 1222 . 1 . 1 112 112 TRP CH2 C 13 124.774 0.000 . . . . . . A 109 TRP CH2 . 34604 1 1223 . 1 . 1 112 112 TRP N N 15 122.249 0.000 . . . . . . A 109 TRP N . 34604 1 1224 . 1 . 1 112 112 TRP NE1 N 15 127.407 0.000 . . . . . . A 109 TRP NE1 . 34604 1 1225 . 1 . 1 113 113 LYS H H 1 8.023 0.000 . . . . . . A 110 LYS H . 34604 1 1226 . 1 . 1 113 113 LYS HA H 1 3.696 0.000 . . . . . . A 110 LYS HA . 34604 1 1227 . 1 . 1 113 113 LYS HB2 H 1 2.011 0.000 . . . . . . A 110 LYS HB2 . 34604 1 1228 . 1 . 1 113 113 LYS HB3 H 1 1.961 0.000 . . . . . . A 110 LYS HB3 . 34604 1 1229 . 1 . 1 113 113 LYS HG2 H 1 1.416 0.000 . . . . . . A 110 LYS HG2 . 34604 1 1230 . 1 . 1 113 113 LYS HG3 H 1 1.617 0.000 . . . . . . A 110 LYS HG3 . 34604 1 1231 . 1 . 1 113 113 LYS HD2 H 1 1.702 0.000 . . . . . . A 110 LYS HD2 . 34604 1 1232 . 1 . 1 113 113 LYS HD3 H 1 1.702 0.000 . . . . . . A 110 LYS HD3 . 34604 1 1233 . 1 . 1 113 113 LYS HE2 H 1 2.933 0.000 . . . . . . A 110 LYS HE2 . 34604 1 1234 . 1 . 1 113 113 LYS HE3 H 1 2.933 0.000 . . . . . . A 110 LYS HE3 . 34604 1 1235 . 1 . 1 113 113 LYS CA C 13 60.420 0.000 . . . . . . A 110 LYS CA . 34604 1 1236 . 1 . 1 113 113 LYS CB C 13 32.111 0.004 . . . . . . A 110 LYS CB . 34604 1 1237 . 1 . 1 113 113 LYS CG C 13 25.088 0.009 . . . . . . A 110 LYS CG . 34604 1 1238 . 1 . 1 113 113 LYS CD C 13 29.447 0.000 . . . . . . A 110 LYS CD . 34604 1 1239 . 1 . 1 113 113 LYS CE C 13 41.791 0.000 . . . . . . A 110 LYS CE . 34604 1 1240 . 1 . 1 113 113 LYS N N 15 119.695 0.000 . . . . . . A 110 LYS N . 34604 1 1241 . 1 . 1 114 114 GLU H H 1 7.008 0.000 . . . . . . A 111 GLU H . 34604 1 1242 . 1 . 1 114 114 GLU HA H 1 4.057 0.000 . . . . . . A 111 GLU HA . 34604 1 1243 . 1 . 1 114 114 GLU HB2 H 1 2.102 0.000 . . . . . . A 111 GLU HB2 . 34604 1 1244 . 1 . 1 114 114 GLU HB3 H 1 2.347 0.000 . . . . . . A 111 GLU HB3 . 34604 1 1245 . 1 . 1 114 114 GLU HG2 H 1 2.350 0.000 . . . . . . A 111 GLU HG2 . 34604 1 1246 . 1 . 1 114 114 GLU HG3 H 1 2.148 0.000 . . . . . . A 111 GLU HG3 . 34604 1 1247 . 1 . 1 114 114 GLU CA C 13 58.574 0.000 . . . . . . A 111 GLU CA . 34604 1 1248 . 1 . 1 114 114 GLU CB C 13 30.104 0.003 . . . . . . A 111 GLU CB . 34604 1 1249 . 1 . 1 114 114 GLU CG C 13 36.151 0.003 . . . . . . A 111 GLU CG . 34604 1 1250 . 1 . 1 114 114 GLU N N 15 116.488 0.000 . . . . . . A 111 GLU N . 34604 1 1251 . 1 . 1 115 115 LEU H H 1 8.487 0.000 . . . . . . A 112 LEU H . 34604 1 1252 . 1 . 1 115 115 LEU HA H 1 3.763 0.000 . . . . . . A 112 LEU HA . 34604 1 1253 . 1 . 1 115 115 LEU HB2 H 1 1.253 0.000 . . . . . . A 112 LEU HB2 . 34604 1 1254 . 1 . 1 115 115 LEU HB3 H 1 1.429 0.000 . . . . . . A 112 LEU HB3 . 34604 1 1255 . 1 . 1 115 115 LEU HG H 1 1.112 0.000 . . . . . . A 112 LEU HG . 34604 1 1256 . 1 . 1 115 115 LEU HD11 H 1 0.549 0.000 . . . . . . A 112 LEU HD11 . 34604 1 1257 . 1 . 1 115 115 LEU HD12 H 1 0.549 0.000 . . . . . . A 112 LEU HD12 . 34604 1 1258 . 1 . 1 115 115 LEU HD13 H 1 0.549 0.000 . . . . . . A 112 LEU HD13 . 34604 1 1259 . 1 . 1 115 115 LEU HD21 H 1 0.699 0.000 . . . . . . A 112 LEU HD21 . 34604 1 1260 . 1 . 1 115 115 LEU HD22 H 1 0.699 0.000 . . . . . . A 112 LEU HD22 . 34604 1 1261 . 1 . 1 115 115 LEU HD23 H 1 0.699 0.000 . . . . . . A 112 LEU HD23 . 34604 1 1262 . 1 . 1 115 115 LEU CA C 13 57.707 0.000 . . . . . . A 112 LEU CA . 34604 1 1263 . 1 . 1 115 115 LEU CB C 13 42.626 0.008 . . . . . . A 112 LEU CB . 34604 1 1264 . 1 . 1 115 115 LEU CG C 13 26.706 0.000 . . . . . . A 112 LEU CG . 34604 1 1265 . 1 . 1 115 115 LEU CD1 C 13 26.186 0.000 . . . . . . A 112 LEU CD1 . 34604 1 1266 . 1 . 1 115 115 LEU CD2 C 13 24.049 0.000 . . . . . . A 112 LEU CD2 . 34604 1 1267 . 1 . 1 115 115 LEU N N 15 119.513 0.000 . . . . . . A 112 LEU N . 34604 1 1268 . 1 . 1 116 116 SER H H 1 8.526 0.000 . . . . . . A 113 SER H . 34604 1 1269 . 1 . 1 116 116 SER HA H 1 3.181 0.000 . . . . . . A 113 SER HA . 34604 1 1270 . 1 . 1 116 116 SER HB2 H 1 2.990 0.000 . . . . . . A 113 SER HB2 . 34604 1 1271 . 1 . 1 116 116 SER HB3 H 1 2.538 0.000 . . . . . . A 113 SER HB3 . 34604 1 1272 . 1 . 1 116 116 SER CA C 13 61.542 0.000 . . . . . . A 113 SER CA . 34604 1 1273 . 1 . 1 116 116 SER CB C 13 61.650 0.006 . . . . . . A 113 SER CB . 34604 1 1274 . 1 . 1 116 116 SER N N 15 113.054 0.000 . . . . . . A 113 SER N . 34604 1 1275 . 1 . 1 117 117 LEU H H 1 6.747 0.000 . . . . . . A 114 LEU H . 34604 1 1276 . 1 . 1 117 117 LEU HA H 1 4.045 0.000 . . . . . . A 114 LEU HA . 34604 1 1277 . 1 . 1 117 117 LEU HB2 H 1 1.663 0.000 . . . . . . A 114 LEU HB2 . 34604 1 1278 . 1 . 1 117 117 LEU HB3 H 1 1.663 0.000 . . . . . . A 114 LEU HB3 . 34604 1 1279 . 1 . 1 117 117 LEU HG H 1 1.662 0.000 . . . . . . A 114 LEU HG . 34604 1 1280 . 1 . 1 117 117 LEU HD11 H 1 0.895 0.000 . . . . . . A 114 LEU HD11 . 34604 1 1281 . 1 . 1 117 117 LEU HD12 H 1 0.895 0.000 . . . . . . A 114 LEU HD12 . 34604 1 1282 . 1 . 1 117 117 LEU HD13 H 1 0.895 0.000 . . . . . . A 114 LEU HD13 . 34604 1 1283 . 1 . 1 117 117 LEU HD21 H 1 0.863 0.000 . . . . . . A 114 LEU HD21 . 34604 1 1284 . 1 . 1 117 117 LEU HD22 H 1 0.863 0.000 . . . . . . A 114 LEU HD22 . 34604 1 1285 . 1 . 1 117 117 LEU HD23 H 1 0.863 0.000 . . . . . . A 114 LEU HD23 . 34604 1 1286 . 1 . 1 117 117 LEU CA C 13 57.911 0.000 . . . . . . A 114 LEU CA . 34604 1 1287 . 1 . 1 117 117 LEU CB C 13 41.722 0.000 . . . . . . A 114 LEU CB . 34604 1 1288 . 1 . 1 117 117 LEU CG C 13 26.780 0.000 . . . . . . A 114 LEU CG . 34604 1 1289 . 1 . 1 117 117 LEU CD1 C 13 24.303 0.000 . . . . . . A 114 LEU CD1 . 34604 1 1290 . 1 . 1 117 117 LEU CD2 C 13 24.194 0.000 . . . . . . A 114 LEU CD2 . 34604 1 1291 . 1 . 1 117 117 LEU N N 15 121.471 0.000 . . . . . . A 114 LEU N . 34604 1 1292 . 1 . 1 118 118 LEU H H 1 7.257 0.000 . . . . . . A 115 LEU H . 34604 1 1293 . 1 . 1 118 118 LEU HA H 1 4.099 0.000 . . . . . . A 115 LEU HA . 34604 1 1294 . 1 . 1 118 118 LEU HB2 H 1 1.321 0.000 . . . . . . A 115 LEU HB2 . 34604 1 1295 . 1 . 1 118 118 LEU HB3 H 1 1.877 0.000 . . . . . . A 115 LEU HB3 . 34604 1 1296 . 1 . 1 118 118 LEU HG H 1 1.763 0.000 . . . . . . A 115 LEU HG . 34604 1 1297 . 1 . 1 118 118 LEU HD11 H 1 0.750 0.000 . . . . . . A 115 LEU HD11 . 34604 1 1298 . 1 . 1 118 118 LEU HD12 H 1 0.750 0.000 . . . . . . A 115 LEU HD12 . 34604 1 1299 . 1 . 1 118 118 LEU HD13 H 1 0.750 0.000 . . . . . . A 115 LEU HD13 . 34604 1 1300 . 1 . 1 118 118 LEU HD21 H 1 0.823 0.000 . . . . . . A 115 LEU HD21 . 34604 1 1301 . 1 . 1 118 118 LEU HD22 H 1 0.823 0.000 . . . . . . A 115 LEU HD22 . 34604 1 1302 . 1 . 1 118 118 LEU HD23 H 1 0.823 0.000 . . . . . . A 115 LEU HD23 . 34604 1 1303 . 1 . 1 118 118 LEU CA C 13 57.750 0.000 . . . . . . A 115 LEU CA . 34604 1 1304 . 1 . 1 118 118 LEU CB C 13 43.006 0.005 . . . . . . A 115 LEU CB . 34604 1 1305 . 1 . 1 118 118 LEU CG C 13 27.042 0.000 . . . . . . A 115 LEU CG . 34604 1 1306 . 1 . 1 118 118 LEU CD1 C 13 26.861 0.000 . . . . . . A 115 LEU CD1 . 34604 1 1307 . 1 . 1 118 118 LEU CD2 C 13 23.010 0.000 . . . . . . A 115 LEU CD2 . 34604 1 1308 . 1 . 1 118 118 LEU N N 15 118.225 0.000 . . . . . . A 115 LEU N . 34604 1 1309 . 1 . 1 119 119 LEU H H 1 8.563 0.000 . . . . . . A 116 LEU H . 34604 1 1310 . 1 . 1 119 119 LEU HA H 1 3.835 0.000 . . . . . . A 116 LEU HA . 34604 1 1311 . 1 . 1 119 119 LEU HB2 H 1 1.366 0.000 . . . . . . A 116 LEU HB2 . 34604 1 1312 . 1 . 1 119 119 LEU HB3 H 1 1.879 0.000 . . . . . . A 116 LEU HB3 . 34604 1 1313 . 1 . 1 119 119 LEU HG H 1 1.676 0.000 . . . . . . A 116 LEU HG . 34604 1 1314 . 1 . 1 119 119 LEU HD11 H 1 0.613 0.000 . . . . . . A 116 LEU HD11 . 34604 1 1315 . 1 . 1 119 119 LEU HD12 H 1 0.613 0.000 . . . . . . A 116 LEU HD12 . 34604 1 1316 . 1 . 1 119 119 LEU HD13 H 1 0.613 0.000 . . . . . . A 116 LEU HD13 . 34604 1 1317 . 1 . 1 119 119 LEU HD21 H 1 0.761 0.000 . . . . . . A 116 LEU HD21 . 34604 1 1318 . 1 . 1 119 119 LEU HD22 H 1 0.761 0.000 . . . . . . A 116 LEU HD22 . 34604 1 1319 . 1 . 1 119 119 LEU HD23 H 1 0.761 0.000 . . . . . . A 116 LEU HD23 . 34604 1 1320 . 1 . 1 119 119 LEU CA C 13 57.699 0.000 . . . . . . A 116 LEU CA . 34604 1 1321 . 1 . 1 119 119 LEU CB C 13 41.384 0.000 . . . . . . A 116 LEU CB . 34604 1 1322 . 1 . 1 119 119 LEU CG C 13 26.706 0.000 . . . . . . A 116 LEU CG . 34604 1 1323 . 1 . 1 119 119 LEU CD1 C 13 26.333 0.000 . . . . . . A 116 LEU CD1 . 34604 1 1324 . 1 . 1 119 119 LEU CD2 C 13 23.899 0.000 . . . . . . A 116 LEU CD2 . 34604 1 1325 . 1 . 1 119 119 LEU N N 15 119.103 0.000 . . . . . . A 116 LEU N . 34604 1 1326 . 1 . 1 120 120 GLN H H 1 8.086 0.000 . . . . . . A 117 GLN H . 34604 1 1327 . 1 . 1 120 120 GLN HA H 1 4.378 0.000 . . . . . . A 117 GLN HA . 34604 1 1328 . 1 . 1 120 120 GLN HB2 H 1 2.195 0.000 . . . . . . A 117 GLN HB2 . 34604 1 1329 . 1 . 1 120 120 GLN HB3 H 1 2.285 0.000 . . . . . . A 117 GLN HB3 . 34604 1 1330 . 1 . 1 120 120 GLN HG2 H 1 2.483 0.000 . . . . . . A 117 GLN HG2 . 34604 1 1331 . 1 . 1 120 120 GLN HG3 H 1 2.289 0.000 . . . . . . A 117 GLN HG3 . 34604 1 1332 . 1 . 1 120 120 GLN HE21 H 1 6.824 0.000 . . . . . . A 117 GLN HE21 . 34604 1 1333 . 1 . 1 120 120 GLN HE22 H 1 7.252 0.000 . . . . . . A 117 GLN HE22 . 34604 1 1334 . 1 . 1 120 120 GLN CA C 13 58.817 0.000 . . . . . . A 117 GLN CA . 34604 1 1335 . 1 . 1 120 120 GLN CB C 13 28.636 0.006 . . . . . . A 117 GLN CB . 34604 1 1336 . 1 . 1 120 120 GLN CG C 13 34.085 0.008 . . . . . . A 117 GLN CG . 34604 1 1337 . 1 . 1 120 120 GLN N N 15 119.600 0.000 . . . . . . A 117 GLN N . 34604 1 1338 . 1 . 1 120 120 GLN NE2 N 15 111.069 0.009 . . . . . . A 117 GLN NE2 . 34604 1 1339 . 1 . 1 121 121 VAL H H 1 8.145 0.000 . . . . . . A 118 VAL H . 34604 1 1340 . 1 . 1 121 121 VAL HA H 1 3.838 0.000 . . . . . . A 118 VAL HA . 34604 1 1341 . 1 . 1 121 121 VAL HB H 1 2.102 0.000 . . . . . . A 118 VAL HB . 34604 1 1342 . 1 . 1 121 121 VAL HG11 H 1 0.997 0.000 . . . . . . A 118 VAL HG11 . 34604 1 1343 . 1 . 1 121 121 VAL HG12 H 1 0.997 0.000 . . . . . . A 118 VAL HG12 . 34604 1 1344 . 1 . 1 121 121 VAL HG13 H 1 0.997 0.000 . . . . . . A 118 VAL HG13 . 34604 1 1345 . 1 . 1 121 121 VAL HG21 H 1 1.104 0.000 . . . . . . A 118 VAL HG21 . 34604 1 1346 . 1 . 1 121 121 VAL HG22 H 1 1.104 0.000 . . . . . . A 118 VAL HG22 . 34604 1 1347 . 1 . 1 121 121 VAL HG23 H 1 1.104 0.000 . . . . . . A 118 VAL HG23 . 34604 1 1348 . 1 . 1 121 121 VAL CA C 13 65.529 0.000 . . . . . . A 118 VAL CA . 34604 1 1349 . 1 . 1 121 121 VAL CB C 13 32.923 0.000 . . . . . . A 118 VAL CB . 34604 1 1350 . 1 . 1 121 121 VAL CG1 C 13 21.131 0.000 . . . . . . A 118 VAL CG1 . 34604 1 1351 . 1 . 1 121 121 VAL CG2 C 13 22.218 0.000 . . . . . . A 118 VAL CG2 . 34604 1 1352 . 1 . 1 121 121 VAL N N 15 117.770 0.000 . . . . . . A 118 VAL N . 34604 1 1353 . 1 . 1 122 122 GLU H H 1 8.719 0.000 . . . . . . A 119 GLU H . 34604 1 1354 . 1 . 1 122 122 GLU HA H 1 4.351 0.000 . . . . . . A 119 GLU HA . 34604 1 1355 . 1 . 1 122 122 GLU HG2 H 1 2.222 0.000 . . . . . . A 119 GLU HG2 . 34604 1 1356 . 1 . 1 122 122 GLU HG3 H 1 2.518 0.000 . . . . . . A 119 GLU HG3 . 34604 1 1357 . 1 . 1 122 122 GLU CA C 13 58.293 0.000 . . . . . . A 119 GLU CA . 34604 1 1358 . 1 . 1 122 122 GLU CG C 13 37.222 0.003 . . . . . . A 119 GLU CG . 34604 1 1359 . 1 . 1 122 122 GLU N N 15 116.721 0.000 . . . . . . A 119 GLU N . 34604 1 1360 . 1 . 1 123 123 GLN H H 1 7.361 0.000 . . . . . . A 120 GLN H . 34604 1 1361 . 1 . 1 123 123 GLN HA H 1 4.479 0.000 . . . . . . A 120 GLN HA . 34604 1 1362 . 1 . 1 123 123 GLN HG2 H 1 2.125 0.000 . . . . . . A 120 GLN HG2 . 34604 1 1363 . 1 . 1 123 123 GLN HG3 H 1 2.230 0.000 . . . . . . A 120 GLN HG3 . 34604 1 1364 . 1 . 1 123 123 GLN HE21 H 1 6.780 0.000 . . . . . . A 120 GLN HE21 . 34604 1 1365 . 1 . 1 123 123 GLN HE22 H 1 7.122 0.000 . . . . . . A 120 GLN HE22 . 34604 1 1366 . 1 . 1 123 123 GLN CA C 13 54.459 0.000 . . . . . . A 120 GLN CA . 34604 1 1367 . 1 . 1 123 123 GLN CG C 13 33.391 0.001 . . . . . . A 120 GLN CG . 34604 1 1368 . 1 . 1 123 123 GLN N N 15 113.166 0.000 . . . . . . A 120 GLN N . 34604 1 1369 . 1 . 1 123 123 GLN NE2 N 15 111.225 0.011 . . . . . . A 120 GLN NE2 . 34604 1 1370 . 1 . 1 124 124 ARG H H 1 7.442 0.000 . . . . . . A 121 ARG H . 34604 1 1371 . 1 . 1 124 124 ARG HA H 1 4.101 0.000 . . . . . . A 121 ARG HA . 34604 1 1372 . 1 . 1 124 124 ARG HG2 H 1 1.536 0.000 . . . . . . A 121 ARG HG2 . 34604 1 1373 . 1 . 1 124 124 ARG HG3 H 1 1.919 0.000 . . . . . . A 121 ARG HG3 . 34604 1 1374 . 1 . 1 124 124 ARG HD2 H 1 3.129 0.000 . . . . . . A 121 ARG HD2 . 34604 1 1375 . 1 . 1 124 124 ARG HD3 H 1 3.208 0.000 . . . . . . A 121 ARG HD3 . 34604 1 1376 . 1 . 1 124 124 ARG CA C 13 56.629 0.000 . . . . . . A 121 ARG CA . 34604 1 1377 . 1 . 1 124 124 ARG CG C 13 27.420 0.022 . . . . . . A 121 ARG CG . 34604 1 1378 . 1 . 1 124 124 ARG CD C 13 43.275 0.007 . . . . . . A 121 ARG CD . 34604 1 1379 . 1 . 1 124 124 ARG N N 15 114.276 0.000 . . . . . . A 121 ARG N . 34604 1 1380 . 1 . 1 125 125 MET H H 1 7.784 0.000 . . . . . . A 122 MET H . 34604 1 1381 . 1 . 1 125 125 MET HA H 1 4.587 0.000 . . . . . . A 122 MET HA . 34604 1 1382 . 1 . 1 125 125 MET HB2 H 1 1.608 0.000 . . . . . . A 122 MET HB2 . 34604 1 1383 . 1 . 1 125 125 MET HB3 H 1 1.788 0.000 . . . . . . A 122 MET HB3 . 34604 1 1384 . 1 . 1 125 125 MET HG2 H 1 2.594 0.000 . . . . . . A 122 MET HG2 . 34604 1 1385 . 1 . 1 125 125 MET HG3 H 1 2.594 0.000 . . . . . . A 122 MET HG3 . 34604 1 1386 . 1 . 1 125 125 MET HE1 H 1 2.058 0.000 . . . . . . A 122 MET HE1 . 34604 1 1387 . 1 . 1 125 125 MET HE2 H 1 2.058 0.000 . . . . . . A 122 MET HE2 . 34604 1 1388 . 1 . 1 125 125 MET HE3 H 1 2.058 0.000 . . . . . . A 122 MET HE3 . 34604 1 1389 . 1 . 1 125 125 MET CA C 13 53.674 0.000 . . . . . . A 122 MET CA . 34604 1 1390 . 1 . 1 125 125 MET CB C 13 34.555 0.000 . . . . . . A 122 MET CB . 34604 1 1391 . 1 . 1 125 125 MET CG C 13 31.640 0.000 . . . . . . A 122 MET CG . 34604 1 1392 . 1 . 1 125 125 MET CE C 13 17.742 0.000 . . . . . . A 122 MET CE . 34604 1 1393 . 1 . 1 125 125 MET N N 15 120.845 0.000 . . . . . . A 122 MET N . 34604 1 1394 . 1 . 1 126 126 PRO HA H 1 4.455 0.000 . . . . . . A 123 PRO HA . 34604 1 1395 . 1 . 1 126 126 PRO HB2 H 1 2.224 0.000 . . . . . . A 123 PRO HB2 . 34604 1 1396 . 1 . 1 126 126 PRO HB3 H 1 1.925 0.000 . . . . . . A 123 PRO HB3 . 34604 1 1397 . 1 . 1 126 126 PRO HG2 H 1 1.999 0.000 . . . . . . A 123 PRO HG2 . 34604 1 1398 . 1 . 1 126 126 PRO HG3 H 1 1.999 0.000 . . . . . . A 123 PRO HG3 . 34604 1 1399 . 1 . 1 126 126 PRO HD2 H 1 3.920 0.000 . . . . . . A 123 PRO HD2 . 34604 1 1400 . 1 . 1 126 126 PRO HD3 H 1 3.679 0.000 . . . . . . A 123 PRO HD3 . 34604 1 1401 . 1 . 1 126 126 PRO CA C 13 62.823 0.000 . . . . . . A 123 PRO CA . 34604 1 1402 . 1 . 1 126 126 PRO CB C 13 31.644 0.041 . . . . . . A 123 PRO CB . 34604 1 1403 . 1 . 1 126 126 PRO CG C 13 27.647 0.000 . . . . . . A 123 PRO CG . 34604 1 1404 . 1 . 1 126 126 PRO CD C 13 50.875 0.011 . . . . . . A 123 PRO CD . 34604 1 1405 . 1 . 1 127 127 VAL H H 1 8.115 0.000 . . . . . . A 124 VAL H . 34604 1 1406 . 1 . 1 127 127 VAL HA H 1 4.031 0.000 . . . . . . A 124 VAL HA . 34604 1 1407 . 1 . 1 127 127 VAL HB H 1 1.984 0.000 . . . . . . A 124 VAL HB . 34604 1 1408 . 1 . 1 127 127 VAL HG11 H 1 0.878 0.000 . . . . . . A 124 VAL HG11 . 34604 1 1409 . 1 . 1 127 127 VAL HG12 H 1 0.878 0.000 . . . . . . A 124 VAL HG12 . 34604 1 1410 . 1 . 1 127 127 VAL HG13 H 1 0.878 0.000 . . . . . . A 124 VAL HG13 . 34604 1 1411 . 1 . 1 127 127 VAL HG21 H 1 0.891 0.000 . . . . . . A 124 VAL HG21 . 34604 1 1412 . 1 . 1 127 127 VAL HG22 H 1 0.891 0.000 . . . . . . A 124 VAL HG22 . 34604 1 1413 . 1 . 1 127 127 VAL HG23 H 1 0.891 0.000 . . . . . . A 124 VAL HG23 . 34604 1 1414 . 1 . 1 127 127 VAL CA C 13 61.926 0.000 . . . . . . A 124 VAL CA . 34604 1 1415 . 1 . 1 127 127 VAL CB C 13 33.091 0.000 . . . . . . A 124 VAL CB . 34604 1 1416 . 1 . 1 127 127 VAL CG1 C 13 21.350 0.000 . . . . . . A 124 VAL CG1 . 34604 1 1417 . 1 . 1 127 127 VAL CG2 C 13 20.899 0.000 . . . . . . A 124 VAL CG2 . 34604 1 1418 . 1 . 1 127 127 VAL N N 15 120.324 0.000 . . . . . . A 124 VAL N . 34604 1 1419 . 1 . 1 128 128 SER H H 1 8.454 0.000 . . . . . . A 125 SER H . 34604 1 1420 . 1 . 1 128 128 SER HA H 1 4.829 0.000 . . . . . . A 125 SER HA . 34604 1 1421 . 1 . 1 128 128 SER HB2 H 1 3.903 0.000 . . . . . . A 125 SER HB2 . 34604 1 1422 . 1 . 1 128 128 SER HB3 H 1 3.903 0.000 . . . . . . A 125 SER HB3 . 34604 1 1423 . 1 . 1 128 128 SER CA C 13 56.090 0.000 . . . . . . A 125 SER CA . 34604 1 1424 . 1 . 1 128 128 SER CB C 13 63.624 0.000 . . . . . . A 125 SER CB . 34604 1 1425 . 1 . 1 128 128 SER N N 15 121.938 0.000 . . . . . . A 125 SER N . 34604 1 1426 . 1 . 1 129 129 PRO HA H 1 4.495 0.000 . . . . . . A 126 PRO HA . 34604 1 1427 . 1 . 1 129 129 PRO HB2 H 1 2.281 0.000 . . . . . . A 126 PRO HB2 . 34604 1 1428 . 1 . 1 129 129 PRO HB3 H 1 1.949 0.000 . . . . . . A 126 PRO HB3 . 34604 1 1429 . 1 . 1 129 129 PRO HG2 H 1 2.005 0.000 . . . . . . A 126 PRO HG2 . 34604 1 1430 . 1 . 1 129 129 PRO HG3 H 1 2.005 0.000 . . . . . . A 126 PRO HG3 . 34604 1 1431 . 1 . 1 129 129 PRO HD2 H 1 3.848 0.000 . . . . . . A 126 PRO HD2 . 34604 1 1432 . 1 . 1 129 129 PRO HD3 H 1 3.789 0.000 . . . . . . A 126 PRO HD3 . 34604 1 1433 . 1 . 1 129 129 PRO CA C 13 63.529 0.000 . . . . . . A 126 PRO CA . 34604 1 1434 . 1 . 1 129 129 PRO CB C 13 32.070 0.017 . . . . . . A 126 PRO CB . 34604 1 1435 . 1 . 1 129 129 PRO CG C 13 27.378 0.000 . . . . . . A 126 PRO CG . 34604 1 1436 . 1 . 1 129 129 PRO CD C 13 50.912 0.003 . . . . . . A 126 PRO CD . 34604 1 1437 . 1 . 1 130 130 ILE HA H 1 4.156 0.000 . . . . . . A 127 ILE HA . 34604 1 1438 . 1 . 1 130 130 ILE HB H 1 1.829 0.000 . . . . . . A 127 ILE HB . 34604 1 1439 . 1 . 1 130 130 ILE HG12 H 1 1.140 0.000 . . . . . . A 127 ILE HG12 . 34604 1 1440 . 1 . 1 130 130 ILE HG13 H 1 1.415 0.000 . . . . . . A 127 ILE HG13 . 34604 1 1441 . 1 . 1 130 130 ILE HG21 H 1 0.860 0.000 . . . . . . A 127 ILE HG21 . 34604 1 1442 . 1 . 1 130 130 ILE HG22 H 1 0.860 0.000 . . . . . . A 127 ILE HG22 . 34604 1 1443 . 1 . 1 130 130 ILE HG23 H 1 0.860 0.000 . . . . . . A 127 ILE HG23 . 34604 1 1444 . 1 . 1 130 130 ILE HD11 H 1 0.773 0.000 . . . . . . A 127 ILE HD11 . 34604 1 1445 . 1 . 1 130 130 ILE HD12 H 1 0.773 0.000 . . . . . . A 127 ILE HD12 . 34604 1 1446 . 1 . 1 130 130 ILE HD13 H 1 0.773 0.000 . . . . . . A 127 ILE HD13 . 34604 1 1447 . 1 . 1 130 130 ILE CA C 13 61.254 0.000 . . . . . . A 127 ILE CA . 34604 1 1448 . 1 . 1 130 130 ILE CB C 13 38.727 0.000 . . . . . . A 127 ILE CB . 34604 1 1449 . 1 . 1 130 130 ILE CG1 C 13 27.429 0.003 . . . . . . A 127 ILE CG1 . 34604 1 1450 . 1 . 1 130 130 ILE CG2 C 13 17.534 0.000 . . . . . . A 127 ILE CG2 . 34604 1 1451 . 1 . 1 130 130 ILE CD1 C 13 13.108 0.000 . . . . . . A 127 ILE CD1 . 34604 1 1452 . 1 . 1 131 131 SER H H 1 8.334 0.000 . . . . . . A 128 SER H . 34604 1 1453 . 1 . 1 131 131 SER HA H 1 4.416 0.000 . . . . . . A 128 SER HA . 34604 1 1454 . 1 . 1 131 131 SER HB2 H 1 3.839 0.000 . . . . . . A 128 SER HB2 . 34604 1 1455 . 1 . 1 131 131 SER HB3 H 1 3.860 0.000 . . . . . . A 128 SER HB3 . 34604 1 1456 . 1 . 1 131 131 SER CA C 13 58.144 0.000 . . . . . . A 128 SER CA . 34604 1 1457 . 1 . 1 131 131 SER CB C 13 63.446 0.001 . . . . . . A 128 SER CB . 34604 1 1458 . 1 . 1 131 131 SER N N 15 119.423 0.000 . . . . . . A 128 SER N . 34604 1 1459 . 1 . 1 132 132 GLN HA H 1 4.247 0.000 . . . . . . A 129 GLN HA . 34604 1 1460 . 1 . 1 132 132 GLN HB2 H 1 1.901 0.000 . . . . . . A 129 GLN HB2 . 34604 1 1461 . 1 . 1 132 132 GLN HB3 H 1 2.030 0.000 . . . . . . A 129 GLN HB3 . 34604 1 1462 . 1 . 1 132 132 GLN HG2 H 1 2.259 0.000 . . . . . . A 129 GLN HG2 . 34604 1 1463 . 1 . 1 132 132 GLN HG3 H 1 2.259 0.000 . . . . . . A 129 GLN HG3 . 34604 1 1464 . 1 . 1 132 132 GLN HE21 H 1 6.693 0.000 . . . . . . A 129 GLN HE21 . 34604 1 1465 . 1 . 1 132 132 GLN HE22 H 1 7.408 0.000 . . . . . . A 129 GLN HE22 . 34604 1 1466 . 1 . 1 132 132 GLN CA C 13 56.093 0.000 . . . . . . A 129 GLN CA . 34604 1 1467 . 1 . 1 132 132 GLN CB C 13 28.967 0.019 . . . . . . A 129 GLN CB . 34604 1 1468 . 1 . 1 132 132 GLN CG C 13 33.601 0.000 . . . . . . A 129 GLN CG . 34604 1 1469 . 1 . 1 132 132 GLN NE2 N 15 111.999 0.000 . . . . . . A 129 GLN NE2 . 34604 1 1470 . 1 . 1 133 133 GLY H H 1 8.202 0.000 . . . . . . A 130 GLY H . 34604 1 1471 . 1 . 1 133 133 GLY HA2 H 1 2.887 0.000 . . . . . . A 130 GLY HA2 . 34604 1 1472 . 1 . 1 133 133 GLY HA3 H 1 3.579 0.000 . . . . . . A 130 GLY HA3 . 34604 1 1473 . 1 . 1 133 133 GLY CA C 13 44.983 0.002 . . . . . . A 130 GLY CA . 34604 1 1474 . 1 . 1 133 133 GLY N N 15 109.481 0.000 . . . . . . A 130 GLY N . 34604 1 1475 . 1 . 1 134 134 ALA H H 1 8.114 0.000 . . . . . . A 131 ALA H . 34604 1 1476 . 1 . 1 134 134 ALA HA H 1 4.231 0.000 . . . . . . A 131 ALA HA . 34604 1 1477 . 1 . 1 134 134 ALA HB1 H 1 1.429 0.000 . . . . . . A 131 ALA HB1 . 34604 1 1478 . 1 . 1 134 134 ALA HB2 H 1 1.429 0.000 . . . . . . A 131 ALA HB2 . 34604 1 1479 . 1 . 1 134 134 ALA HB3 H 1 1.429 0.000 . . . . . . A 131 ALA HB3 . 34604 1 1480 . 1 . 1 134 134 ALA CA C 13 53.828 0.000 . . . . . . A 131 ALA CA . 34604 1 1481 . 1 . 1 134 134 ALA CB C 13 18.942 0.000 . . . . . . A 131 ALA CB . 34604 1 1482 . 1 . 1 134 134 ALA N N 15 124.915 0.000 . . . . . . A 131 ALA N . 34604 1 1483 . 1 . 1 135 135 SER H H 1 8.437 0.000 . . . . . . A 132 SER H . 34604 1 1484 . 1 . 1 135 135 SER HA H 1 4.606 0.000 . . . . . . A 132 SER HA . 34604 1 1485 . 1 . 1 135 135 SER HB2 H 1 3.985 0.000 . . . . . . A 132 SER HB2 . 34604 1 1486 . 1 . 1 135 135 SER HB3 H 1 4.147 0.000 . . . . . . A 132 SER HB3 . 34604 1 1487 . 1 . 1 135 135 SER CA C 13 58.427 0.000 . . . . . . A 132 SER CA . 34604 1 1488 . 1 . 1 135 135 SER CB C 13 63.760 0.001 . . . . . . A 132 SER CB . 34604 1 1489 . 1 . 1 135 135 SER N N 15 113.415 0.000 . . . . . . A 132 SER N . 34604 1 1490 . 1 . 1 136 136 TRP H H 1 8.440 0.000 . . . . . . A 133 TRP H . 34604 1 1491 . 1 . 1 136 136 TRP HA H 1 4.551 0.000 . . . . . . A 133 TRP HA . 34604 1 1492 . 1 . 1 136 136 TRP HB2 H 1 3.180 0.000 . . . . . . A 133 TRP HB2 . 34604 1 1493 . 1 . 1 136 136 TRP HB3 H 1 3.180 0.000 . . . . . . A 133 TRP HB3 . 34604 1 1494 . 1 . 1 136 136 TRP HD1 H 1 7.017 0.000 . . . . . . A 133 TRP HD1 . 34604 1 1495 . 1 . 1 136 136 TRP HE1 H 1 10.076 0.000 . . . . . . A 133 TRP HE1 . 34604 1 1496 . 1 . 1 136 136 TRP HE3 H 1 7.531 0.000 . . . . . . A 133 TRP HE3 . 34604 1 1497 . 1 . 1 136 136 TRP HZ2 H 1 7.330 0.000 . . . . . . A 133 TRP HZ2 . 34604 1 1498 . 1 . 1 136 136 TRP HZ3 H 1 7.319 0.000 . . . . . . A 133 TRP HZ3 . 34604 1 1499 . 1 . 1 136 136 TRP HH2 H 1 6.811 0.000 . . . . . . A 133 TRP HH2 . 34604 1 1500 . 1 . 1 136 136 TRP CA C 13 58.830 0.000 . . . . . . A 133 TRP CA . 34604 1 1501 . 1 . 1 136 136 TRP CB C 13 28.804 0.000 . . . . . . A 133 TRP CB . 34604 1 1502 . 1 . 1 136 136 TRP CD1 C 13 124.201 0.000 . . . . . . A 133 TRP CD1 . 34604 1 1503 . 1 . 1 136 136 TRP CE3 C 13 121.482 0.000 . . . . . . A 133 TRP CE3 . 34604 1 1504 . 1 . 1 136 136 TRP CZ2 C 13 113.955 0.000 . . . . . . A 133 TRP CZ2 . 34604 1 1505 . 1 . 1 136 136 TRP CZ3 C 13 125.968 0.000 . . . . . . A 133 TRP CZ3 . 34604 1 1506 . 1 . 1 136 136 TRP CH2 C 13 123.223 0.000 . . . . . . A 133 TRP CH2 . 34604 1 1507 . 1 . 1 136 136 TRP N N 15 122.891 0.000 . . . . . . A 133 TRP N . 34604 1 1508 . 1 . 1 136 136 TRP NE1 N 15 128.145 0.000 . . . . . . A 133 TRP NE1 . 34604 1 1509 . 1 . 1 137 137 ALA H H 1 8.503 0.000 . . . . . . A 134 ALA H . 34604 1 1510 . 1 . 1 137 137 ALA HA H 1 4.259 0.000 . . . . . . A 134 ALA HA . 34604 1 1511 . 1 . 1 137 137 ALA HB1 H 1 1.504 0.000 . . . . . . A 134 ALA HB1 . 34604 1 1512 . 1 . 1 137 137 ALA HB2 H 1 1.504 0.000 . . . . . . A 134 ALA HB2 . 34604 1 1513 . 1 . 1 137 137 ALA HB3 H 1 1.504 0.000 . . . . . . A 134 ALA HB3 . 34604 1 1514 . 1 . 1 137 137 ALA CA C 13 55.635 0.000 . . . . . . A 134 ALA CA . 34604 1 1515 . 1 . 1 137 137 ALA CB C 13 17.832 0.000 . . . . . . A 134 ALA CB . 34604 1 1516 . 1 . 1 137 137 ALA N N 15 120.771 0.000 . . . . . . A 134 ALA N . 34604 1 1517 . 1 . 1 138 138 GLN H H 1 7.926 0.000 . . . . . . A 135 GLN H . 34604 1 1518 . 1 . 1 138 138 GLN HA H 1 4.112 0.000 . . . . . . A 135 GLN HA . 34604 1 1519 . 1 . 1 138 138 GLN HB2 H 1 2.143 0.000 . . . . . . A 135 GLN HB2 . 34604 1 1520 . 1 . 1 138 138 GLN HB3 H 1 2.188 0.000 . . . . . . A 135 GLN HB3 . 34604 1 1521 . 1 . 1 138 138 GLN HG2 H 1 2.441 0.000 . . . . . . A 135 GLN HG2 . 34604 1 1522 . 1 . 1 138 138 GLN HG3 H 1 2.441 0.000 . . . . . . A 135 GLN HG3 . 34604 1 1523 . 1 . 1 138 138 GLN CA C 13 58.895 0.000 . . . . . . A 135 GLN CA . 34604 1 1524 . 1 . 1 138 138 GLN CB C 13 28.426 0.002 . . . . . . A 135 GLN CB . 34604 1 1525 . 1 . 1 138 138 GLN CG C 13 34.135 0.000 . . . . . . A 135 GLN CG . 34604 1 1526 . 1 . 1 138 138 GLN N N 15 119.131 0.000 . . . . . . A 135 GLN N . 34604 1 1527 . 1 . 1 139 139 GLU H H 1 7.782 0.000 . . . . . . A 136 GLU H . 34604 1 1528 . 1 . 1 139 139 GLU HA H 1 3.834 0.000 . . . . . . A 136 GLU HA . 34604 1 1529 . 1 . 1 139 139 GLU HB2 H 1 2.162 0.000 . . . . . . A 136 GLU HB2 . 34604 1 1530 . 1 . 1 139 139 GLU HB3 H 1 2.162 0.000 . . . . . . A 136 GLU HB3 . 34604 1 1531 . 1 . 1 139 139 GLU HG2 H 1 2.496 0.000 . . . . . . A 136 GLU HG2 . 34604 1 1532 . 1 . 1 139 139 GLU HG3 H 1 2.496 0.000 . . . . . . A 136 GLU HG3 . 34604 1 1533 . 1 . 1 139 139 GLU CA C 13 58.918 0.000 . . . . . . A 136 GLU CA . 34604 1 1534 . 1 . 1 139 139 GLU CB C 13 29.673 0.000 . . . . . . A 136 GLU CB . 34604 1 1535 . 1 . 1 139 139 GLU CG C 13 36.169 0.000 . . . . . . A 136 GLU CG . 34604 1 1536 . 1 . 1 139 139 GLU N N 15 121.095 0.000 . . . . . . A 136 GLU N . 34604 1 1537 . 1 . 1 140 140 ASP H H 1 8.842 0.000 . . . . . . A 137 ASP H . 34604 1 1538 . 1 . 1 140 140 ASP HA H 1 4.481 0.000 . . . . . . A 137 ASP HA . 34604 1 1539 . 1 . 1 140 140 ASP HB2 H 1 2.677 0.000 . . . . . . A 137 ASP HB2 . 34604 1 1540 . 1 . 1 140 140 ASP HB3 H 1 2.954 0.000 . . . . . . A 137 ASP HB3 . 34604 1 1541 . 1 . 1 140 140 ASP CA C 13 57.088 0.000 . . . . . . A 137 ASP CA . 34604 1 1542 . 1 . 1 140 140 ASP CB C 13 40.029 0.003 . . . . . . A 137 ASP CB . 34604 1 1543 . 1 . 1 140 140 ASP N N 15 118.328 0.000 . . . . . . A 137 ASP N . 34604 1 1544 . 1 . 1 141 141 GLN H H 1 7.536 0.000 . . . . . . A 138 GLN H . 34604 1 1545 . 1 . 1 141 141 GLN HA H 1 3.907 0.000 . . . . . . A 138 GLN HA . 34604 1 1546 . 1 . 1 141 141 GLN HB2 H 1 2.210 0.000 . . . . . . A 138 GLN HB2 . 34604 1 1547 . 1 . 1 141 141 GLN HB3 H 1 2.210 0.000 . . . . . . A 138 GLN HB3 . 34604 1 1548 . 1 . 1 141 141 GLN HG2 H 1 2.530 0.000 . . . . . . A 138 GLN HG2 . 34604 1 1549 . 1 . 1 141 141 GLN HG3 H 1 2.438 0.000 . . . . . . A 138 GLN HG3 . 34604 1 1550 . 1 . 1 141 141 GLN HE21 H 1 6.986 0.000 . . . . . . A 138 GLN HE21 . 34604 1 1551 . 1 . 1 141 141 GLN HE22 H 1 7.557 0.000 . . . . . . A 138 GLN HE22 . 34604 1 1552 . 1 . 1 141 141 GLN CA C 13 58.822 0.000 . . . . . . A 138 GLN CA . 34604 1 1553 . 1 . 1 141 141 GLN CB C 13 28.446 0.000 . . . . . . A 138 GLN CB . 34604 1 1554 . 1 . 1 141 141 GLN CG C 13 33.904 0.015 . . . . . . A 138 GLN CG . 34604 1 1555 . 1 . 1 141 141 GLN N N 15 117.024 0.000 . . . . . . A 138 GLN N . 34604 1 1556 . 1 . 1 141 141 GLN NE2 N 15 113.509 0.000 . . . . . . A 138 GLN NE2 . 34604 1 1557 . 1 . 1 142 142 GLN H H 1 7.545 0.000 . . . . . . A 139 GLN H . 34604 1 1558 . 1 . 1 142 142 GLN HA H 1 4.142 0.000 . . . . . . A 139 GLN HA . 34604 1 1559 . 1 . 1 142 142 GLN HB2 H 1 2.172 0.000 . . . . . . A 139 GLN HB2 . 34604 1 1560 . 1 . 1 142 142 GLN HB3 H 1 2.214 0.000 . . . . . . A 139 GLN HB3 . 34604 1 1561 . 1 . 1 142 142 GLN HG2 H 1 2.460 0.000 . . . . . . A 139 GLN HG2 . 34604 1 1562 . 1 . 1 142 142 GLN HG3 H 1 2.544 0.000 . . . . . . A 139 GLN HG3 . 34604 1 1563 . 1 . 1 142 142 GLN HE21 H 1 7.686 0.000 . . . . . . A 139 GLN HE21 . 34604 1 1564 . 1 . 1 142 142 GLN HE22 H 1 6.859 0.000 . . . . . . A 139 GLN HE22 . 34604 1 1565 . 1 . 1 142 142 GLN CA C 13 58.913 0.000 . . . . . . A 139 GLN CA . 34604 1 1566 . 1 . 1 142 142 GLN CB C 13 28.170 0.007 . . . . . . A 139 GLN CB . 34604 1 1567 . 1 . 1 142 142 GLN CG C 13 33.886 0.011 . . . . . . A 139 GLN CG . 34604 1 1568 . 1 . 1 142 142 GLN N N 15 119.595 0.000 . . . . . . A 139 GLN N . 34604 1 1569 . 1 . 1 142 142 GLN NE2 N 15 111.891 0.000 . . . . . . A 139 GLN NE2 . 34604 1 1570 . 1 . 1 143 143 ASP H H 1 9.174 0.000 . . . . . . A 140 ASP H . 34604 1 1571 . 1 . 1 143 143 ASP HA H 1 4.047 0.000 . . . . . . A 140 ASP HA . 34604 1 1572 . 1 . 1 143 143 ASP HB2 H 1 2.159 0.000 . . . . . . A 140 ASP HB2 . 34604 1 1573 . 1 . 1 143 143 ASP HB3 H 1 2.842 0.000 . . . . . . A 140 ASP HB3 . 34604 1 1574 . 1 . 1 143 143 ASP CA C 13 57.268 0.000 . . . . . . A 140 ASP CA . 34604 1 1575 . 1 . 1 143 143 ASP CB C 13 40.664 0.006 . . . . . . A 140 ASP CB . 34604 1 1576 . 1 . 1 143 143 ASP N N 15 121.794 0.000 . . . . . . A 140 ASP N . 34604 1 1577 . 1 . 1 144 144 ALA H H 1 8.769 0.000 . . . . . . A 141 ALA H . 34604 1 1578 . 1 . 1 144 144 ALA HA H 1 4.281 0.000 . . . . . . A 141 ALA HA . 34604 1 1579 . 1 . 1 144 144 ALA HB1 H 1 1.413 0.000 . . . . . . A 141 ALA HB1 . 34604 1 1580 . 1 . 1 144 144 ALA HB2 H 1 1.413 0.000 . . . . . . A 141 ALA HB2 . 34604 1 1581 . 1 . 1 144 144 ALA HB3 H 1 1.413 0.000 . . . . . . A 141 ALA HB3 . 34604 1 1582 . 1 . 1 144 144 ALA CA C 13 55.158 0.000 . . . . . . A 141 ALA CA . 34604 1 1583 . 1 . 1 144 144 ALA CB C 13 19.430 0.000 . . . . . . A 141 ALA CB . 34604 1 1584 . 1 . 1 144 144 ALA N N 15 121.083 0.000 . . . . . . A 141 ALA N . 34604 1 1585 . 1 . 1 145 145 ASP H H 1 7.883 0.000 . . . . . . A 142 ASP H . 34604 1 1586 . 1 . 1 145 145 ASP HA H 1 4.443 0.000 . . . . . . A 142 ASP HA . 34604 1 1587 . 1 . 1 145 145 ASP HB2 H 1 2.744 0.000 . . . . . . A 142 ASP HB2 . 34604 1 1588 . 1 . 1 145 145 ASP HB3 H 1 2.892 0.000 . . . . . . A 142 ASP HB3 . 34604 1 1589 . 1 . 1 145 145 ASP CA C 13 57.571 0.000 . . . . . . A 142 ASP CA . 34604 1 1590 . 1 . 1 145 145 ASP CB C 13 41.268 0.001 . . . . . . A 142 ASP CB . 34604 1 1591 . 1 . 1 145 145 ASP N N 15 119.190 0.000 . . . . . . A 142 ASP N . 34604 1 1592 . 1 . 1 146 146 GLU H H 1 7.895 0.000 . . . . . . A 143 GLU H . 34604 1 1593 . 1 . 1 146 146 GLU HA H 1 4.045 0.000 . . . . . . A 143 GLU HA . 34604 1 1594 . 1 . 1 146 146 GLU HB2 H 1 2.071 0.000 . . . . . . A 143 GLU HB2 . 34604 1 1595 . 1 . 1 146 146 GLU HB3 H 1 2.223 0.000 . . . . . . A 143 GLU HB3 . 34604 1 1596 . 1 . 1 146 146 GLU HG2 H 1 2.277 0.000 . . . . . . A 143 GLU HG2 . 34604 1 1597 . 1 . 1 146 146 GLU HG3 H 1 2.519 0.000 . . . . . . A 143 GLU HG3 . 34604 1 1598 . 1 . 1 146 146 GLU CA C 13 59.798 0.000 . . . . . . A 143 GLU CA . 34604 1 1599 . 1 . 1 146 146 GLU CB C 13 29.680 0.001 . . . . . . A 143 GLU CB . 34604 1 1600 . 1 . 1 146 146 GLU CG C 13 36.595 0.004 . . . . . . A 143 GLU CG . 34604 1 1601 . 1 . 1 146 146 GLU N N 15 119.684 0.000 . . . . . . A 143 GLU N . 34604 1 1602 . 1 . 1 147 147 ASP H H 1 8.900 0.000 . . . . . . A 144 ASP H . 34604 1 1603 . 1 . 1 147 147 ASP HA H 1 4.664 0.000 . . . . . . A 144 ASP HA . 34604 1 1604 . 1 . 1 147 147 ASP HB2 H 1 2.812 0.000 . . . . . . A 144 ASP HB2 . 34604 1 1605 . 1 . 1 147 147 ASP HB3 H 1 2.812 0.000 . . . . . . A 144 ASP HB3 . 34604 1 1606 . 1 . 1 147 147 ASP CA C 13 57.409 0.000 . . . . . . A 144 ASP CA . 34604 1 1607 . 1 . 1 147 147 ASP CB C 13 41.114 0.000 . . . . . . A 144 ASP CB . 34604 1 1608 . 1 . 1 147 147 ASP N N 15 121.187 0.000 . . . . . . A 144 ASP N . 34604 1 1609 . 1 . 1 148 148 ARG H H 1 8.533 0.000 . . . . . . A 145 ARG H . 34604 1 1610 . 1 . 1 148 148 ARG HA H 1 4.135 0.000 . . . . . . A 145 ARG HA . 34604 1 1611 . 1 . 1 148 148 ARG HB2 H 1 2.080 0.000 . . . . . . A 145 ARG HB2 . 34604 1 1612 . 1 . 1 148 148 ARG HB3 H 1 2.080 0.000 . . . . . . A 145 ARG HB3 . 34604 1 1613 . 1 . 1 148 148 ARG HG2 H 1 1.784 0.000 . . . . . . A 145 ARG HG2 . 34604 1 1614 . 1 . 1 148 148 ARG HG3 H 1 2.011 0.000 . . . . . . A 145 ARG HG3 . 34604 1 1615 . 1 . 1 148 148 ARG CA C 13 59.484 0.000 . . . . . . A 145 ARG CA . 34604 1 1616 . 1 . 1 148 148 ARG CB C 13 29.630 0.000 . . . . . . A 145 ARG CB . 34604 1 1617 . 1 . 1 148 148 ARG CG C 13 26.841 0.034 . . . . . . A 145 ARG CG . 34604 1 1618 . 1 . 1 148 148 ARG N N 15 121.458 0.000 . . . . . . A 145 ARG N . 34604 1 1619 . 1 . 1 149 149 ARG H H 1 7.692 0.000 . . . . . . A 146 ARG H . 34604 1 1620 . 1 . 1 149 149 ARG HA H 1 4.104 0.000 . . . . . . A 146 ARG HA . 34604 1 1621 . 1 . 1 149 149 ARG HB2 H 1 1.968 0.000 . . . . . . A 146 ARG HB2 . 34604 1 1622 . 1 . 1 149 149 ARG HB3 H 1 1.968 0.000 . . . . . . A 146 ARG HB3 . 34604 1 1623 . 1 . 1 149 149 ARG HG2 H 1 1.688 0.000 . . . . . . A 146 ARG HG2 . 34604 1 1624 . 1 . 1 149 149 ARG HG3 H 1 1.884 0.000 . . . . . . A 146 ARG HG3 . 34604 1 1625 . 1 . 1 149 149 ARG HD2 H 1 3.208 0.000 . . . . . . A 146 ARG HD2 . 34604 1 1626 . 1 . 1 149 149 ARG HD3 H 1 3.285 0.000 . . . . . . A 146 ARG HD3 . 34604 1 1627 . 1 . 1 149 149 ARG CA C 13 59.297 0.000 . . . . . . A 146 ARG CA . 34604 1 1628 . 1 . 1 149 149 ARG CB C 13 29.906 0.000 . . . . . . A 146 ARG CB . 34604 1 1629 . 1 . 1 149 149 ARG CG C 13 28.503 0.039 . . . . . . A 146 ARG CG . 34604 1 1630 . 1 . 1 149 149 ARG CD C 13 43.386 0.000 . . . . . . A 146 ARG CD . 34604 1 1631 . 1 . 1 149 149 ARG N N 15 119.371 0.000 . . . . . . A 146 ARG N . 34604 1 1632 . 1 . 1 150 150 ALA H H 1 7.863 0.000 . . . . . . A 147 ALA H . 34604 1 1633 . 1 . 1 150 150 ALA HA H 1 4.329 0.000 . . . . . . A 147 ALA HA . 34604 1 1634 . 1 . 1 150 150 ALA HB1 H 1 1.670 0.000 . . . . . . A 147 ALA HB1 . 34604 1 1635 . 1 . 1 150 150 ALA HB2 H 1 1.670 0.000 . . . . . . A 147 ALA HB2 . 34604 1 1636 . 1 . 1 150 150 ALA HB3 H 1 1.670 0.000 . . . . . . A 147 ALA HB3 . 34604 1 1637 . 1 . 1 150 150 ALA CA C 13 54.034 0.000 . . . . . . A 147 ALA CA . 34604 1 1638 . 1 . 1 150 150 ALA CB C 13 18.944 0.000 . . . . . . A 147 ALA CB . 34604 1 1639 . 1 . 1 150 150 ALA N N 15 120.423 0.000 . . . . . . A 147 ALA N . 34604 1 1640 . 1 . 1 151 151 PHE H H 1 8.292 0.000 . . . . . . A 148 PHE H . 34604 1 1641 . 1 . 1 151 151 PHE HA H 1 4.387 0.000 . . . . . . A 148 PHE HA . 34604 1 1642 . 1 . 1 151 151 PHE HB2 H 1 3.134 0.000 . . . . . . A 148 PHE HB2 . 34604 1 1643 . 1 . 1 151 151 PHE HB3 H 1 3.359 0.000 . . . . . . A 148 PHE HB3 . 34604 1 1644 . 1 . 1 151 151 PHE HD1 H 1 7.295 0.000 . . . . . . A 148 PHE HD1 . 34604 1 1645 . 1 . 1 151 151 PHE HD2 H 1 7.295 0.000 . . . . . . A 148 PHE HD2 . 34604 1 1646 . 1 . 1 151 151 PHE HE1 H 1 7.119 0.000 . . . . . . A 148 PHE HE1 . 34604 1 1647 . 1 . 1 151 151 PHE HE2 H 1 7.119 0.000 . . . . . . A 148 PHE HE2 . 34604 1 1648 . 1 . 1 151 151 PHE CA C 13 60.450 0.000 . . . . . . A 148 PHE CA . 34604 1 1649 . 1 . 1 151 151 PHE CB C 13 39.636 0.020 . . . . . . A 148 PHE CB . 34604 1 1650 . 1 . 1 151 151 PHE CD1 C 13 132.225 0.000 . . . . . . A 148 PHE CD1 . 34604 1 1651 . 1 . 1 151 151 PHE CD2 C 13 132.225 0.000 . . . . . . A 148 PHE CD2 . 34604 1 1652 . 1 . 1 151 151 PHE CE1 C 13 131.268 0.000 . . . . . . A 148 PHE CE1 . 34604 1 1653 . 1 . 1 151 151 PHE CE2 C 13 131.268 0.000 . . . . . . A 148 PHE CE2 . 34604 1 1654 . 1 . 1 151 151 PHE N N 15 120.163 0.000 . . . . . . A 148 PHE N . 34604 1 1655 . 1 . 1 152 152 GLN H H 1 7.997 0.000 . . . . . . A 149 GLN H . 34604 1 1656 . 1 . 1 152 152 GLN HA H 1 4.150 0.000 . . . . . . A 149 GLN HA . 34604 1 1657 . 1 . 1 152 152 GLN HB2 H 1 2.154 0.000 . . . . . . A 149 GLN HB2 . 34604 1 1658 . 1 . 1 152 152 GLN HB3 H 1 2.154 0.000 . . . . . . A 149 GLN HB3 . 34604 1 1659 . 1 . 1 152 152 GLN HG2 H 1 2.500 0.000 . . . . . . A 149 GLN HG2 . 34604 1 1660 . 1 . 1 152 152 GLN HG3 H 1 2.569 0.000 . . . . . . A 149 GLN HG3 . 34604 1 1661 . 1 . 1 152 152 GLN HE21 H 1 6.971 0.000 . . . . . . A 149 GLN HE21 . 34604 1 1662 . 1 . 1 152 152 GLN HE22 H 1 7.594 0.000 . . . . . . A 149 GLN HE22 . 34604 1 1663 . 1 . 1 152 152 GLN CA C 13 56.783 0.000 . . . . . . A 149 GLN CA . 34604 1 1664 . 1 . 1 152 152 GLN CB C 13 28.721 0.000 . . . . . . A 149 GLN CB . 34604 1 1665 . 1 . 1 152 152 GLN CG C 13 33.997 0.002 . . . . . . A 149 GLN CG . 34604 1 1666 . 1 . 1 152 152 GLN N N 15 118.654 0.000 . . . . . . A 149 GLN N . 34604 1 1667 . 1 . 1 152 152 GLN NE2 N 15 112.133 0.030 . . . . . . A 149 GLN NE2 . 34604 1 1668 . 1 . 1 153 153 MET H H 1 7.798 0.000 . . . . . . A 150 MET H . 34604 1 1669 . 1 . 1 153 153 MET HA H 1 4.384 0.000 . . . . . . A 150 MET HA . 34604 1 1670 . 1 . 1 153 153 MET HB2 H 1 2.096 0.000 . . . . . . A 150 MET HB2 . 34604 1 1671 . 1 . 1 153 153 MET HB3 H 1 2.173 0.000 . . . . . . A 150 MET HB3 . 34604 1 1672 . 1 . 1 153 153 MET HG2 H 1 2.635 0.000 . . . . . . A 150 MET HG2 . 34604 1 1673 . 1 . 1 153 153 MET HG3 H 1 2.707 0.000 . . . . . . A 150 MET HG3 . 34604 1 1674 . 1 . 1 153 153 MET HE1 H 1 2.105 0.000 . . . . . . A 150 MET HE1 . 34604 1 1675 . 1 . 1 153 153 MET HE2 H 1 2.105 0.000 . . . . . . A 150 MET HE2 . 34604 1 1676 . 1 . 1 153 153 MET HE3 H 1 2.105 0.000 . . . . . . A 150 MET HE3 . 34604 1 1677 . 1 . 1 153 153 MET CA C 13 55.971 0.000 . . . . . . A 150 MET CA . 34604 1 1678 . 1 . 1 153 153 MET CB C 13 32.604 0.001 . . . . . . A 150 MET CB . 34604 1 1679 . 1 . 1 153 153 MET CG C 13 32.158 0.006 . . . . . . A 150 MET CG . 34604 1 1680 . 1 . 1 153 153 MET CE C 13 16.911 0.000 . . . . . . A 150 MET CE . 34604 1 1681 . 1 . 1 153 153 MET N N 15 118.211 0.000 . . . . . . A 150 MET N . 34604 1 1682 . 1 . 1 154 154 LEU H H 1 7.731 0.000 . . . . . . A 151 LEU H . 34604 1 1683 . 1 . 1 154 154 LEU HA H 1 4.294 0.000 . . . . . . A 151 LEU HA . 34604 1 1684 . 1 . 1 154 154 LEU HB2 H 1 1.508 0.000 . . . . . . A 151 LEU HB2 . 34604 1 1685 . 1 . 1 154 154 LEU HB3 H 1 1.620 0.000 . . . . . . A 151 LEU HB3 . 34604 1 1686 . 1 . 1 154 154 LEU HG H 1 1.695 0.000 . . . . . . A 151 LEU HG . 34604 1 1687 . 1 . 1 154 154 LEU HD11 H 1 0.878 0.000 . . . . . . A 151 LEU HD11 . 34604 1 1688 . 1 . 1 154 154 LEU HD12 H 1 0.878 0.000 . . . . . . A 151 LEU HD12 . 34604 1 1689 . 1 . 1 154 154 LEU HD13 H 1 0.878 0.000 . . . . . . A 151 LEU HD13 . 34604 1 1690 . 1 . 1 154 154 LEU HD21 H 1 0.907 0.000 . . . . . . A 151 LEU HD21 . 34604 1 1691 . 1 . 1 154 154 LEU HD22 H 1 0.907 0.000 . . . . . . A 151 LEU HD22 . 34604 1 1692 . 1 . 1 154 154 LEU HD23 H 1 0.907 0.000 . . . . . . A 151 LEU HD23 . 34604 1 1693 . 1 . 1 154 154 LEU CA C 13 55.174 0.000 . . . . . . A 151 LEU CA . 34604 1 1694 . 1 . 1 154 154 LEU CB C 13 42.221 0.003 . . . . . . A 151 LEU CB . 34604 1 1695 . 1 . 1 154 154 LEU CG C 13 26.800 0.000 . . . . . . A 151 LEU CG . 34604 1 1696 . 1 . 1 154 154 LEU CD1 C 13 23.374 0.000 . . . . . . A 151 LEU CD1 . 34604 1 1697 . 1 . 1 154 154 LEU CD2 C 13 25.257 0.000 . . . . . . A 151 LEU CD2 . 34604 1 1698 . 1 . 1 154 154 LEU N N 15 121.237 0.000 . . . . . . A 151 LEU N . 34604 1 1699 . 1 . 1 155 155 ARG H H 1 8.174 0.000 . . . . . . A 152 ARG H . 34604 1 1700 . 1 . 1 155 155 ARG HA H 1 4.266 0.000 . . . . . . A 152 ARG HA . 34604 1 1701 . 1 . 1 155 155 ARG HB2 H 1 1.769 0.000 . . . . . . A 152 ARG HB2 . 34604 1 1702 . 1 . 1 155 155 ARG HB3 H 1 1.820 0.000 . . . . . . A 152 ARG HB3 . 34604 1 1703 . 1 . 1 155 155 ARG HG2 H 1 1.603 0.000 . . . . . . A 152 ARG HG2 . 34604 1 1704 . 1 . 1 155 155 ARG HG3 H 1 1.603 0.000 . . . . . . A 152 ARG HG3 . 34604 1 1705 . 1 . 1 155 155 ARG HD2 H 1 3.176 0.000 . . . . . . A 152 ARG HD2 . 34604 1 1706 . 1 . 1 155 155 ARG HD3 H 1 3.176 0.000 . . . . . . A 152 ARG HD3 . 34604 1 1707 . 1 . 1 155 155 ARG CA C 13 56.040 0.000 . . . . . . A 152 ARG CA . 34604 1 1708 . 1 . 1 155 155 ARG CB C 13 30.814 0.006 . . . . . . A 152 ARG CB . 34604 1 1709 . 1 . 1 155 155 ARG CG C 13 26.909 0.000 . . . . . . A 152 ARG CG . 34604 1 1710 . 1 . 1 155 155 ARG CD C 13 43.171 0.000 . . . . . . A 152 ARG CD . 34604 1 1711 . 1 . 1 155 155 ARG N N 15 122.005 0.000 . . . . . . A 152 ARG N . 34604 1 1712 . 1 . 1 156 156 ARG H H 1 8.449 0.000 . . . . . . A 153 ARG H . 34604 1 1713 . 1 . 1 156 156 ARG HA H 1 4.383 0.000 . . . . . . A 153 ARG HA . 34604 1 1714 . 1 . 1 156 156 ARG HB2 H 1 1.895 0.000 . . . . . . A 153 ARG HB2 . 34604 1 1715 . 1 . 1 156 156 ARG HB3 H 1 1.725 0.000 . . . . . . A 153 ARG HB3 . 34604 1 1716 . 1 . 1 156 156 ARG HG2 H 1 1.631 0.000 . . . . . . A 153 ARG HG2 . 34604 1 1717 . 1 . 1 156 156 ARG HG3 H 1 1.631 0.000 . . . . . . A 153 ARG HG3 . 34604 1 1718 . 1 . 1 156 156 ARG HD2 H 1 3.191 0.000 . . . . . . A 153 ARG HD2 . 34604 1 1719 . 1 . 1 156 156 ARG HD3 H 1 3.191 0.000 . . . . . . A 153 ARG HD3 . 34604 1 1720 . 1 . 1 156 156 ARG CA C 13 55.743 0.000 . . . . . . A 153 ARG CA . 34604 1 1721 . 1 . 1 156 156 ARG CB C 13 30.942 0.004 . . . . . . A 153 ARG CB . 34604 1 1722 . 1 . 1 156 156 ARG CG C 13 26.932 0.000 . . . . . . A 153 ARG CG . 34604 1 1723 . 1 . 1 156 156 ARG CD C 13 43.310 0.000 . . . . . . A 153 ARG CD . 34604 1 1724 . 1 . 1 156 156 ARG N N 15 123.259 0.000 . . . . . . A 153 ARG N . 34604 1 1725 . 1 . 1 157 157 ASP H H 1 8.032 0.000 . . . . . . A 154 ASP H . 34604 1 1726 . 1 . 1 157 157 ASP HA H 1 4.366 0.000 . . . . . . A 154 ASP HA . 34604 1 1727 . 1 . 1 157 157 ASP HB2 H 1 2.581 0.000 . . . . . . A 154 ASP HB2 . 34604 1 1728 . 1 . 1 157 157 ASP HB3 H 1 2.655 0.000 . . . . . . A 154 ASP HB3 . 34604 1 1729 . 1 . 1 157 157 ASP CA C 13 55.701 0.000 . . . . . . A 154 ASP CA . 34604 1 1730 . 1 . 1 157 157 ASP CB C 13 42.199 0.000 . . . . . . A 154 ASP CB . 34604 1 1731 . 1 . 1 157 157 ASP N N 15 127.028 0.000 . . . . . . A 154 ASP N . 34604 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 34604 _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 5 _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 1 8.046 3.887 118.704 1 T 3.237e+06 0.00e+00 a 0 - - - 2 8.047 1.520 118.715 1 T 6.209e+06 0.00e+00 a 0 - - - 3 8.048 0.337 118.695 1 T 2.463e+06 0.00e+00 a 0 - - - 4 8.045 0.896 118.674 1 T 3.524e+06 0.00e+00 a 0 - - - 5 8.372 1.870 115.669 1 T 2.373e+06 0.00e+00 a 0 - - - 6 8.374 1.240 115.668 1 T 2.125e+06 0.00e+00 a 0 - - - 7 8.375 0.891 115.664 1 T 2.772e+06 0.00e+00 a 0 - - - 8 8.374 3.576 115.614 1 T 9.009e+05 0.00e+00 a 0 - - - 9 8.374 3.884 115.672 1 T 2.562e+06 0.00e+00 a 0 - - - 10 8.373 4.248 115.691 1 T 3.606e+06 0.00e+00 a 0 - - - 11 8.373 4.437 115.694 1 T 1.306e+06 0.00e+00 a 0 - - - 12 8.373 8.032 115.695 1 T 2.376e+06 0.00e+00 a 0 - - - 13 8.375 8.178 115.686 1 T 2.110e+06 0.00e+00 a 0 - - - 15 8.379 0.752 115.654 1 T 1.151e+06 0.00e+00 a 0 - - - 16 8.034 3.891 122.526 1 T 1.225e+06 0.00e+00 a 0 - - - 17 8.033 4.066 122.505 1 T 3.285e+06 0.00e+00 a 0 - - - 18 8.028 4.246 122.484 1 T 3.629e+06 0.00e+00 a 0 - - - 19 8.034 4.424 122.438 1 T 1.181e+06 0.00e+00 a 0 - - - 20 8.033 1.725 122.500 1 T 3.624e+06 0.00e+00 a 0 - - - 21 7.995 1.553 122.483 1 T 1.457e+07 0.00e+00 a 0 - - - 22 8.434 3.544 105.215 1 T 2.539e+06 0.00e+00 a 0 - - - 23 8.619 3.681 123.206 1 T 1.944e+06 0.00e+00 a 0 - - - 24 8.622 2.367 123.211 1 T 3.046e+06 0.00e+00 a 0 - - - 25 8.145 3.961 119.972 1 T 3.138e+06 0.00e+00 a 0 - - - 26 8.180 3.575 120.027 1 T 2.318e+06 0.00e+00 a 0 - - - 27 8.176 4.470 120.409 1 T 1.447e+07 0.00e+00 a 0 - - - 28 8.119 4.498 120.341 1 T 5.660e+06 0.00e+00 a 0 - - - 29 8.176 1.992 120.374 1 T 9.203e+06 0.00e+00 a 0 - - - 30 8.410 3.484 121.346 1 T 2.451e+06 0.00e+00 a 0 - - - 31 8.168 3.927 119.157 1 T 3.190e+06 0.00e+00 a 0 - - - 32 7.870 3.668 118.717 1 T 5.293e+06 0.00e+00 a 0 - - - 33 8.420 3.963 117.892 1 T 3.725e+06 0.00e+00 a 0 - - - 34 8.585 3.888 117.935 1 T 2.672e+06 0.00e+00 a 0 - - - 35 8.559 3.925 118.570 1 T 4.991e+06 0.00e+00 a 0 - - - 36 7.576 3.831 118.040 1 T 3.668e+06 0.00e+00 a 0 - - - 37 7.209 4.246 115.413 1 T 4.187e+06 0.00e+00 a 0 - - - 38 8.593 4.228 119.116 1 T 1.875e+06 0.00e+00 a 0 - - - 39 8.750 3.894 119.209 1 T 3.380e+06 0.00e+00 a 0 - - - 40 7.839 3.919 119.847 1 T 4.875e+06 0.00e+00 a 0 - - - 41 8.005 3.445 105.446 1 T 2.770e+06 0.00e+00 a 0 - - - 42 8.003 4.085 105.447 1 T 3.488e+06 0.00e+00 a 0 - - - 43 8.422 4.226 120.886 1 T 3.494e+06 0.00e+00 a 0 - - - 44 8.543 3.426 118.917 1 T 3.092e+06 0.00e+00 a 0 - - - 45 8.542 2.154 118.931 1 T 4.209e+06 0.00e+00 a 0 - - - 46 8.579 1.397 119.084 1 T 2.034e+06 0.00e+00 a 0 - - - 47 8.014 2.144 118.656 1 T 5.684e+06 0.00e+00 a 0 - - - 48 7.698 2.956 120.786 1 T 2.761e+06 0.00e+00 a 0 - - - 49 7.710 3.574 120.714 1 T 2.423e+06 0.00e+00 a 0 - - - 50 7.699 4.194 120.789 1 T 4.985e+06 0.00e+00 a 0 - - - 51 7.706 1.547 120.872 1 T 2.189e+06 0.00e+00 a 0 - - - 52 7.881 3.935 119.519 1 T 4.388e+06 0.00e+00 a 0 - - - 53 7.925 1.518 119.099 1 T 6.833e+06 0.00e+00 a 0 - - - 54 7.882 4.448 119.258 1 T 5.208e+06 0.00e+00 a 0 - - - 55 7.926 2.192 119.132 1 T 1.070e+07 0.00e+00 a 0 - - - 56 7.956 4.033 119.120 1 T 4.997e+06 0.00e+00 a 0 - - - 57 7.996 1.549 118.886 1 T 1.131e+07 0.00e+00 a 0 - - - 58 8.018 4.081 119.581 1 T 5.782e+06 0.00e+00 a 0 - - - 59 8.015 2.173 119.607 1 T 7.477e+06 0.00e+00 a 0 - - - 60 8.024 3.700 119.692 1 T 5.090e+06 0.00e+00 a 0 - - - 61 8.025 4.614 119.724 1 T 2.370e+06 0.00e+00 a 0 - - - 62 8.025 2.631 119.734 1 T 1.458e+06 0.00e+00 a 0 - - - 63 8.023 3.311 119.743 1 T 3.554e+06 0.00e+00 a 0 - - - 64 8.024 4.447 119.674 1 T 2.271e+06 0.00e+00 a 0 - - - 65 8.087 4.374 119.615 1 T 2.153e+06 0.00e+00 a 0 - - - 66 8.125 3.857 118.994 1 T 2.568e+06 0.00e+00 a 0 - - - 67 8.159 4.563 119.514 1 T 3.846e+06 0.00e+00 a 0 - - - 68 8.171 4.231 119.583 1 T 2.971e+06 0.00e+00 a 0 - - - 69 7.864 4.330 120.432 1 T 3.178e+06 0.00e+00 a 0 - - - 70 7.798 4.239 120.440 1 T 4.303e+06 0.00e+00 a 0 - - - 71 7.784 4.588 121.016 1 T 2.555e+06 0.00e+00 a 0 - - - 72 7.785 1.609 120.976 1 T 4.631e+06 0.00e+00 a 0 - - - 73 7.785 1.803 120.853 1 T 3.548e+06 0.00e+00 a 0 - - - 74 7.699 2.124 120.805 1 T 7.250e+06 0.00e+00 a 0 - - - 75 7.785 2.159 121.068 1 T 8.788e+06 0.00e+00 a 0 - - - 76 7.784 2.504 121.091 1 T 4.559e+06 0.00e+00 a 0 - - - 77 7.732 1.666 121.252 1 T 6.375e+06 0.00e+00 a 0 - - - 78 7.783 2.016 122.365 1 T 3.018e+06 0.00e+00 a 0 - - - 81 8.440 4.059 119.448 1 T 1.762e+06 0.00e+00 a 0 - - - 82 8.446 1.890 119.420 1 T 1.722e+06 0.00e+00 a 0 - - - 83 8.358 2.218 122.482 1 T 9.399e+06 0.00e+00 a 0 - - - 84 8.360 2.472 122.497 1 T 2.218e+06 0.00e+00 a 0 - - - 85 8.350 4.224 123.063 1 T 4.173e+06 0.00e+00 a 0 - - - 86 8.449 4.082 123.114 1 T 2.253e+06 0.00e+00 a 0 - - - 87 8.447 4.225 123.067 1 T 2.218e+06 0.00e+00 a 0 - - - 88 8.448 1.436 123.065 1 T 7.344e+06 0.00e+00 a 0 - - - 89 8.447 3.892 123.063 1 T 5.236e+06 0.00e+00 a 0 - - - 90 8.517 4.517 123.650 1 T 2.355e+06 0.00e+00 a 0 - - - 91 8.845 4.439 119.339 1 T 3.821e+06 0.00e+00 a 0 - - - 92 8.716 4.616 120.062 1 T 1.266e+06 0.00e+00 a 0 - - - 93 7.700 4.517 113.387 1 T 6.704e+05 0.00e+00 a 0 - - - 94 7.699 4.130 113.327 1 T 1.525e+06 0.00e+00 a 0 - - - 95 8.381 4.619 119.558 1 T 7.721e+05 0.00e+00 a 0 - - - 96 8.455 4.447 121.976 1 T 6.500e+05 0.00e+00 a 0 - - - 97 8.488 3.772 119.519 1 T 1.784e+06 0.00e+00 a 0 - - - 99 8.033 4.380 127.036 1 T 1.547e+07 0.00e+00 a 0 - - - 100 6.445 7.533 110.281 1 T 1.322e+07 0.00e+00 a 0 - - - 101 6.856 2.335 110.580 1 T 3.672e+06 0.00e+00 a 0 - - - 102 7.589 2.333 110.563 1 T 6.579e+06 0.00e+00 a 0 - - - 103 7.124 6.826 111.251 1 T 4.427e+06 0.00e+00 a 0 - - - 104 7.120 2.236 111.259 1 T 8.723e+05 0.00e+00 a 0 - - - 105 7.124 2.114 111.257 1 T 1.209e+06 0.00e+00 a 0 - - - 106 7.650 3.137 111.896 1 T 2.661e+06 0.00e+00 a 0 - - - 107 6.975 3.145 111.937 1 T 8.944e+05 0.00e+00 a 0 - - - 108 6.924 3.137 111.985 1 T 2.692e+06 0.00e+00 a 0 - - - 109 6.917 7.584 112.301 1 T 9.624e+07 0.00e+00 a 0 - - - 110 10.075 4.566 128.129 1 T 2.163e+06 0.00e+00 a 0 - - - 111 10.076 3.175 128.201 1 T 8.532e+05 0.00e+00 a 0 - - - 112 9.908 6.959 127.403 1 T 9.332e+06 0.00e+00 a 0 - - - 113 9.907 7.337 127.401 1 T 4.460e+06 0.00e+00 a 0 - - - 114 10.075 7.331 128.152 1 T 4.925e+06 0.00e+00 a 0 - - - 115 10.076 7.023 128.149 1 T 1.117e+07 0.00e+00 a 0 - - - 116 6.861 2.472 111.888 1 T 3.179e+06 0.00e+00 a 0 - - - 117 6.860 2.179 111.883 1 T 1.500e+06 0.00e+00 a 0 - - - 118 6.875 2.872 112.312 1 T 9.200e+05 0.00e+00 a 0 - - - 119 8.176 4.062 120.372 1 T 5.153e+06 0.00e+00 a 0 - - - 121 7.831 4.047 122.884 1 T 3.493e+06 0.00e+00 a 0 - - - 122 7.830 3.850 122.881 1 T 1.600e+06 0.00e+00 a 0 - - - 123 7.828 3.294 122.802 1 T 6.780e+05 0.00e+00 a 0 - - - 124 7.829 2.189 122.872 1 T 3.538e+06 0.00e+00 a 0 - - - 125 7.829 2.115 122.863 1 T 3.377e+06 0.00e+00 a 0 - - - 126 7.828 2.309 122.871 1 T 2.953e+06 0.00e+00 a 0 - - - 127 7.832 1.674 122.813 1 T 6.861e+05 0.00e+00 a 0 - - - 128 7.826 4.234 122.787 1 T 7.145e+05 0.00e+00 a 0 - - - 129 7.830 8.584 122.865 1 T 1.492e+06 0.00e+00 a 0 - - - 130 7.818 8.616 118.719 1 T 1.802e+06 0.00e+00 a 0 - - - 132 7.821 8.174 118.675 1 T 1.013e+06 0.00e+00 a 0 - - - 133 7.819 8.022 118.694 1 T 2.661e+06 0.00e+00 a 0 - - - 134 7.823 7.254 118.636 1 T 6.400e+05 0.00e+00 a 0 - - - 135 7.813 4.694 118.679 1 T 5.706e+05 0.00e+00 a 0 - - - 136 7.818 4.014 118.707 1 T 4.838e+06 0.00e+00 a 0 - - - 137 7.820 3.296 118.720 1 T 9.274e+05 0.00e+00 a 0 - - - 138 7.818 1.951 118.689 1 T 1.046e+07 0.00e+00 a 0 - - - 139 7.818 1.698 118.709 1 T 4.198e+06 0.00e+00 a 0 - - - 140 7.820 1.533 118.719 1 T 2.269e+06 0.00e+00 a 0 - - - 141 7.818 0.914 118.688 1 T 2.182e+06 0.00e+00 a 0 - - - 142 7.818 0.753 118.724 1 T 1.102e+06 0.00e+00 a 0 - - - 143 7.827 0.347 118.524 1 T 6.642e+05 0.00e+00 a 0 - - - 144 8.027 3.136 118.684 1 T 1.917e+06 0.00e+00 a 0 - - - 146 8.023 7.315 118.648 1 T 9.456e+05 0.00e+00 a 0 - - - 148 8.026 7.807 118.832 1 T 4.183e+06 0.00e+00 a 0 - - - 149 8.176 2.238 120.379 1 T 4.323e+06 0.00e+00 a 0 - - - 151 8.021 4.424 118.776 1 T 3.897e+06 0.00e+00 a 0 - - - 152 7.789 0.884 120.960 1 T 3.557e+06 0.00e+00 a 0 - - - 153 7.787 1.975 120.965 1 T 5.164e+06 0.00e+00 a 0 - - - 154 7.785 2.907 121.107 1 T 1.121e+06 0.00e+00 a 0 - - - 155 7.784 3.846 121.095 1 T 3.662e+06 0.00e+00 a 0 - - - 156 7.786 4.113 120.952 1 T 4.199e+06 0.00e+00 a 0 - - - 157 7.784 4.387 120.848 1 T 3.071e+06 0.00e+00 a 0 - - - 158 7.780 5.984 121.109 1 T 8.350e+05 0.00e+00 a 0 - - - 159 7.790 8.163 120.999 1 T 1.473e+06 0.00e+00 a 0 - - - 160 8.180 8.376 120.039 1 T 2.501e+06 0.00e+00 a 0 - - - 161 8.178 7.805 120.116 1 T 1.611e+06 0.00e+00 a 0 - - - 162 8.178 7.268 120.042 1 T 6.149e+05 0.00e+00 a 0 - - - 163 8.178 1.877 120.104 1 T 5.139e+06 0.00e+00 a 0 - - - 164 8.182 1.442 120.064 1 T 1.186e+06 0.00e+00 a 0 - - - 165 8.180 0.755 120.037 1 T 3.036e+06 0.00e+00 a 0 - - - 166 8.177 0.895 120.321 1 T 1.305e+07 0.00e+00 a 0 - - - 167 8.028 3.464 122.487 1 T 1.377e+06 0.00e+00 a 0 - - - 168 8.031 1.428 122.485 1 T 2.080e+06 0.00e+00 a 0 - - - 169 8.032 1.240 122.504 1 T 2.417e+06 0.00e+00 a 0 - - - 170 8.032 0.830 122.505 1 T 3.787e+06 0.00e+00 a 0 - - - 171 8.031 1.078 122.463 1 T 1.329e+06 0.00e+00 a 0 - - - 172 8.438 0.333 105.237 1 T 6.372e+05 0.00e+00 a 0 - 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- - 1485 8.295 4.400 120.163 1 T 3.626e+06 0.00e+00 a 0 - - - 1486 8.296 4.145 120.131 1 T 2.215e+06 0.00e+00 a 0 - - - 1487 8.293 3.371 120.142 1 T 3.533e+06 0.00e+00 a 0 - - - 1488 8.293 3.117 120.153 1 T 3.193e+06 0.00e+00 a 0 - - - 1489 8.288 2.883 120.237 1 T 5.007e+05 0.00e+00 a 0 - - - 1490 8.284 1.989 120.134 1 T 9.966e+05 0.00e+00 a 0 - - - 1491 8.293 1.683 120.161 1 T 3.427e+06 0.00e+00 a 0 - - - 1492 6.973 7.595 112.089 1 T 3.819e+07 0.00e+00 a 0 - - - 1494 6.979 2.858 112.173 1 T 8.336e+05 0.00e+00 a 0 - - - 1495 6.974 2.519 112.080 1 T 1.476e+06 0.00e+00 a 0 - - - 1496 6.974 2.151 112.038 1 T 8.163e+05 0.00e+00 a 0 - - - 1497 6.973 1.749 112.010 1 T 7.188e+05 0.00e+00 a 0 - - - 1498 6.981 1.229 111.998 1 T 6.349e+05 0.00e+00 a 0 - - - 1501 7.797 4.375 118.224 1 T 1.629e+06 0.00e+00 a 0 - - - 1502 7.801 4.145 118.259 1 T 1.698e+06 0.00e+00 a 0 - - - 1503 7.795 2.686 118.231 1 T 1.082e+06 0.00e+00 a 0 - - - 1504 7.799 2.138 118.263 1 T 2.599e+06 0.00e+00 a 0 - - - 1505 7.733 0.911 121.176 1 T 2.879e+06 0.00e+00 a 0 - - - 1506 7.734 4.366 121.229 1 T 3.867e+06 0.00e+00 a 0 - - - 1507 7.732 4.316 121.225 1 T 3.922e+06 0.00e+00 a 0 - - - 1510 8.175 4.283 121.977 1 T 5.088e+06 0.00e+00 a 0 - - - 1511 8.175 1.783 121.991 1 T 2.626e+06 0.00e+00 a 0 - - - 1512 8.172 1.623 121.990 1 T 1.925e+06 0.00e+00 a 0 - - - 1513 8.173 0.897 121.993 1 T 1.288e+06 0.00e+00 a 0 - - - 1514 8.517 0.751 123.284 1 T 1.475e+06 0.00e+00 a 0 - - - 1515 8.517 0.989 123.413 1 T 1.421e+06 0.00e+00 a 0 - - - 1516 8.519 1.600 123.346 1 T 1.976e+06 0.00e+00 a 0 - - - 1517 8.516 1.774 123.337 1 T 1.829e+06 0.00e+00 a 0 - - - 1518 8.516 1.890 123.285 1 T 1.856e+06 0.00e+00 a 0 - - - 1519 8.518 2.147 123.471 1 T 2.979e+06 0.00e+00 a 0 - - - 1520 8.511 4.074 123.307 1 T 1.546e+06 0.00e+00 a 0 - - - 1521 8.516 4.220 123.413 1 T 2.722e+06 0.00e+00 a 0 - - - 1522 8.516 4.349 123.479 1 T 2.088e+06 0.00e+00 a 0 - - - 1523 8.033 4.242 126.987 1 T 1.177e+06 0.00e+00 a 0 - - - 1525 8.031 3.200 127.020 1 T 1.124e+06 0.00e+00 a 0 - - - 1526 8.034 2.600 127.031 1 T 6.112e+06 0.00e+00 a 0 - - - 1527 8.034 1.898 127.035 1 T 2.738e+06 0.00e+00 a 0 - - - 1528 8.034 1.745 127.028 1 T 3.165e+06 0.00e+00 a 0 - - - 1529 8.033 1.624 127.041 1 T 2.493e+06 0.00e+00 a 0 - - - 1530 8.035 8.459 127.039 1 T 7.337e+05 0.00e+00 a 0 - - - 1531 10.078 2.954 128.208 1 T 9.472e+05 0.00e+00 a 0 - - - 1532 8.502 2.451 120.755 1 T 6.865e+05 0.00e+00 a 0 - - - 1533 7.924 3.867 119.253 1 T 1.568e+06 0.00e+00 a 0 - - - 1534 7.926 4.257 119.122 1 T 3.153e+06 0.00e+00 a 0 - - - 1535 7.799 8.397 121.124 1 T 7.458e+05 0.00e+00 a 0 - - - 1536 7.785 7.554 121.041 1 T 2.280e+06 0.00e+00 a 0 - - - 1537 7.540 0.946 117.017 1 T 7.945e+05 0.00e+00 a 0 - - - 1538 6.991 4.257 113.478 1 T 5.497e+05 0.00e+00 a 0 - - - 1544 7.555 1.425 119.482 1 T 8.594e+05 0.00e+00 a 0 - - - 1545 9.175 2.671 121.805 1 T 1.238e+06 0.00e+00 a 0 - - - 1546 8.765 1.798 121.111 1 T 6.213e+05 0.00e+00 a 0 - - - 1547 8.014 2.575 118.654 1 T 1.562e+06 0.00e+00 a 0 - - - 1548 6.974 4.139 112.040 1 T 6.543e+05 0.00e+00 a 0 - - - 1549 7.592 1.784 112.107 1 T 1.008e+06 0.00e+00 a 0 - - - 1551 7.597 2.170 112.207 1 T 2.079e+06 0.00e+00 a 0 - - - 1552 7.599 4.137 112.220 1 T 1.404e+06 0.00e+00 a 0 - - - 1554 7.596 6.932 112.242 1 T 7.066e+07 0.00e+00 a 0 - - - 1555 8.491 7.966 123.277 1 T 5.990e+05 0.00e+00 a 0 - - - 1556 8.518 2.386 123.275 1 T 6.697e+05 0.00e+00 a 0 - - - 1557 8.515 1.455 123.337 1 T 1.387e+06 0.00e+00 a 0 - - - 1558 8.446 7.030 122.887 1 T 1.000e+06 0.00e+00 a 0 - - - 1559 8.412 7.003 122.814 1 T 6.317e+05 0.00e+00 a 0 - - - 1561 8.437 4.601 122.939 1 T 2.275e+06 0.00e+00 a 0 - - - 1562 8.434 3.186 122.959 1 T 1.834e+06 0.00e+00 a 0 - - - 1563 8.392 3.156 123.002 1 T 8.461e+05 0.00e+00 a 0 - - - 1565 10.075 2.268 128.215 1 T 8.564e+05 0.00e+00 a 0 - - - 1566 10.078 0.256 128.198 1 T 6.205e+05 0.00e+00 a 0 - - - 1567 7.539 7.895 117.092 1 T 5.051e+05 0.00e+00 a 0 - - - 1568 6.987 6.742 113.558 1 T 1.204e+06 0.00e+00 a 0 - - - 1569 6.990 6.833 113.502 1 T 1.909e+06 0.00e+00 a 0 - - - 1571 7.546 0.813 119.618 1 T 6.054e+05 0.00e+00 a 0 - - - 1573 7.688 6.859 111.889 1 T 6.623e+07 0.00e+00 a 0 - - - 1575 7.695 4.157 111.851 1 T 6.040e+05 0.00e+00 a 0 - - - 1576 7.688 2.474 111.877 1 T 3.483e+06 0.00e+00 a 0 - - - 1577 7.689 2.194 111.868 1 T 1.644e+06 0.00e+00 a 0 - - - 1578 6.861 7.685 111.889 1 T 6.584e+07 0.00e+00 a 0 - - - 1580 6.859 3.851 111.880 1 T 8.999e+05 0.00e+00 a 0 - - - 1581 6.863 4.138 111.887 1 T 6.378e+05 0.00e+00 a 0 - - - 1583 9.176 1.915 121.765 1 T 7.113e+05 0.00e+00 a 0 - - - 1586 8.530 3.267 121.434 1 T 1.175e+06 0.00e+00 a 0 - - - 1587 8.533 0.860 121.414 1 T 6.942e+05 0.00e+00 a 0 - - - 1589 8.286 3.918 113.367 1 T 7.209e+05 0.00e+00 a 0 - - - 1590 7.540 6.051 113.176 1 T 4.741e+05 0.00e+00 a 0 - - - 1591 8.576 4.678 119.460 1 T 1.203e+06 0.00e+00 a 0 - - - 1592 7.814 7.558 118.742 1 T 6.035e+05 0.00e+00 a 0 - - - 1594 8.374 1.570 115.671 1 T 7.093e+05 0.00e+00 a 0 - - - 1595 8.378 1.723 115.671 1 T 1.206e+06 0.00e+00 a 0 - - - 1596 8.373 2.127 115.703 1 T 6.664e+05 0.00e+00 a 0 - - - 1597 8.376 1.078 115.735 1 T 6.522e+05 0.00e+00 a 0 - - - 1598 8.028 2.016 122.440 1 T 1.134e+06 0.00e+00 a 0 - - - 1599 8.032 8.388 122.517 1 T 3.302e+06 0.00e+00 a 0 - - - 1600 8.032 8.627 122.457 1 T 8.156e+05 0.00e+00 a 0 - - - 1601 8.430 1.729 105.262 1 T 9.891e+05 0.00e+00 a 0 - - - 1602 8.140 1.231 120.001 1 T 1.025e+06 0.00e+00 a 0 - - - 1603 8.140 3.135 120.001 1 T 8.108e+05 0.00e+00 a 0 - - - 1604 6.634 2.654 110.820 1 T 2.147e+06 0.00e+00 a 0 - - - 1605 6.634 2.298 110.809 1 T 2.780e+06 0.00e+00 a 0 - - - 1606 6.640 0.310 110.814 1 T 8.054e+05 0.00e+00 a 0 - - - 1607 6.635 0.900 110.810 1 T 3.869e+06 0.00e+00 a 0 - - - 1608 6.635 1.095 110.866 1 T 8.417e+05 0.00e+00 a 0 - - - 1609 7.232 0.300 110.871 1 T 6.598e+05 0.00e+00 a 0 - - - 1610 7.233 0.898 110.809 1 T 4.500e+06 0.00e+00 a 0 - - - 1611 7.230 3.974 110.801 1 T 1.164e+06 0.00e+00 a 0 - - - 1613 7.230 6.634 110.803 1 T 2.213e+07 0.00e+00 a 0 - - - 1614 8.621 8.139 123.223 1 T 1.663e+06 0.00e+00 a 0 - - - 1615 8.620 8.426 123.191 1 T 1.887e+06 0.00e+00 a 0 - - - 1617 8.619 1.994 123.157 1 T 1.463e+06 0.00e+00 a 0 - - - 1618 8.621 1.077 123.213 1 T 3.710e+06 0.00e+00 a 0 - - - 1619 8.621 0.941 123.230 1 T 2.472e+06 0.00e+00 a 0 - - - 1621 8.409 3.652 121.401 1 T 9.476e+05 0.00e+00 a 0 - - - 1622 8.411 2.362 121.396 1 T 1.681e+06 0.00e+00 a 0 - - - 1623 8.410 2.014 121.440 1 T 2.883e+06 0.00e+00 a 0 - - - 1624 8.409 0.844 121.400 1 T 4.378e+06 0.00e+00 a 0 - - - 1625 8.403 0.365 121.505 1 T 5.284e+05 0.00e+00 a 0 - - - 1626 8.168 8.631 119.131 1 T 7.509e+05 0.00e+00 a 0 - - - 1628 10.608 3.746 120.854 1 T 5.862e+05 0.00e+00 a 0 - - - 1629 7.154 6.880 112.090 1 T 8.735e+05 0.00e+00 a 0 - - - 1631 7.153 9.323 112.052 1 T 7.641e+05 0.00e+00 a 0 - - - 1632 9.335 2.831 112.112 1 T 1.020e+06 0.00e+00 a 0 - - - 1633 8.584 2.086 119.135 1 T 2.629e+06 0.00e+00 a 0 - - - 1634 8.755 4.231 119.161 1 T 1.260e+06 0.00e+00 a 0 - - - 1636 8.420 1.260 120.847 1 T 7.210e+05 0.00e+00 a 0 - - - 1637 8.414 2.610 120.860 1 T 9.021e+05 0.00e+00 a 0 - - - 1638 8.678 0.509 121.990 1 T 7.164e+05 0.00e+00 a 0 - - - 1639 8.546 1.568 118.937 1 T 2.029e+06 0.00e+00 a 0 - - - 1640 7.779 3.440 104.714 1 T 6.343e+05 0.00e+00 a 0 - - - 1641 7.698 8.324 120.872 1 T 8.249e+05 0.00e+00 a 0 - - - 1642 7.699 8.545 120.694 1 T 8.932e+05 0.00e+00 a 0 - - - 1644 7.671 8.014 116.401 1 T 6.537e+05 0.00e+00 a 0 - - - 1645 8.015 2.329 119.567 1 T 4.942e+06 0.00e+00 a 0 - - - 1649 8.160 2.213 119.529 1 T 3.065e+06 0.00e+00 a 0 - - - 1650 9.017 0.954 119.733 1 T 9.059e+05 0.00e+00 a 0 - - - 1651 8.436 3.101 119.497 1 T 8.905e+05 0.00e+00 a 0 - - - 1654 8.847 0.962 119.424 1 T 6.247e+05 0.00e+00 a 0 - - - 1656 8.720 2.847 120.048 1 T 1.334e+06 0.00e+00 a 0 - - - 1657 8.717 2.171 120.040 1 T 1.379e+06 0.00e+00 a 0 - - - 1659 7.654 6.916 111.924 1 T 1.439e+07 0.00e+00 a 0 - - - 1660 8.516 8.847 123.535 1 T 2.696e+06 0.00e+00 a 0 - - - 1662 7.996 1.175 118.941 1 T 1.426e+06 0.00e+00 a 0 - - - 1663 7.995 3.850 122.523 1 T 7.270e+05 0.00e+00 a 0 - - - 1664 8.003 7.210 122.468 1 T 6.253e+05 0.00e+00 a 0 - - - 1665 8.124 8.384 119.061 1 T 9.298e+05 0.00e+00 a 0 - - - 1666 8.123 8.003 118.992 1 T 3.775e+06 0.00e+00 a 0 - - - 1668 8.524 1.586 115.828 1 T 6.189e+05 0.00e+00 a 0 - - - 1669 8.526 1.812 115.693 1 T 7.259e+05 0.00e+00 a 0 - - - 1670 8.526 1.089 115.775 1 T 7.177e+05 0.00e+00 a 0 - - - 1671 7.530 4.477 110.219 1 T 5.991e+05 0.00e+00 a 0 - - - 1672 8.085 0.831 105.499 1 T 1.058e+06 0.00e+00 a 0 - - - 1673 8.403 2.449 120.466 1 T 1.655e+06 0.00e+00 a 0 - - - 1674 8.403 8.129 120.470 1 T 2.182e+06 0.00e+00 a 0 - - - 1676 7.929 0.787 119.330 1 T 8.133e+05 0.00e+00 a 0 - - - 1678 8.250 0.953 115.964 1 T 5.946e+05 0.00e+00 a 0 - - - 1679 8.252 4.532 115.999 1 T 6.408e+05 0.00e+00 a 0 - - - 1680 8.251 7.299 115.832 1 T 8.871e+05 0.00e+00 a 0 - - - 1681 7.538 4.020 113.103 1 T 9.426e+05 0.00e+00 a 0 - - - 1684 8.584 7.691 118.026 1 T 5.658e+05 0.00e+00 a 0 - - - 1685 8.337 7.133 122.897 1 T 6.884e+05 0.00e+00 a 0 - - - 1687 9.048 2.705 118.576 1 T 4.948e+05 0.00e+00 a 0 - - - 1688 8.531 0.767 121.863 1 T 8.235e+05 0.00e+00 a 0 - - - 1689 8.774 8.523 122.228 1 T 1.438e+06 0.00e+00 a 0 - - - 1690 8.774 8.024 122.243 1 T 2.583e+06 0.00e+00 a 0 - - - 1691 8.773 7.212 122.284 1 T 7.764e+05 0.00e+00 a 0 - - - 1692 8.773 6.960 122.231 1 T 1.921e+06 0.00e+00 a 0 - - - 1693 8.773 2.361 122.271 1 T 2.056e+06 0.00e+00 a 0 - - - 1695 7.005 4.416 116.485 1 T 5.879e+05 0.00e+00 a 0 - - - 1696 8.488 3.285 119.520 1 T 5.123e+05 0.00e+00 a 0 - - - 1697 7.257 2.077 118.198 1 T 6.822e+05 0.00e+00 a 0 - - - 1698 7.254 1.119 111.094 1 T 9.434e+05 0.00e+00 a 0 - - - 1699 7.257 1.643 111.107 1 T 6.747e+05 0.00e+00 a 0 - - - 1700 8.143 2.524 117.779 1 T 7.708e+05 0.00e+00 a 0 - - - 1701 7.359 2.546 113.159 1 T 8.563e+05 0.00e+00 a 0 - - - 1702 8.119 1.418 120.273 1 T 1.506e+06 0.00e+00 a 0 - - - 1703 8.118 4.164 120.286 1 T 1.893e+06 0.00e+00 a 0 - - - 1704 7.409 6.693 111.989 1 T 3.032e+07 0.00e+00 a 0 - - - 1705 7.408 2.038 111.923 1 T 7.139e+05 0.00e+00 a 0 - - - 1706 8.412 0.941 122.993 1 T 8.068e+05 0.00e+00 a 0 - - - 1708 7.538 1.984 117.061 1 T 8.472e+05 0.00e+00 a 0 - - - 1711 8.897 7.526 121.086 1 T 5.801e+05 0.00e+00 a 0 - - - 1712 8.901 9.923 121.094 1 T 4.641e+05 0.00e+00 a 0 - - - 1713 8.534 7.184 121.558 1 T 8.225e+05 0.00e+00 a 0 - - - 1715 7.598 3.082 112.068 1 T 7.553e+05 0.00e+00 a 0 - - - 1716 8.175 7.724 121.952 1 T 6.223e+05 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 . . 18.0 ppm . . . 4.85 . . 34604 1 2 . . H 1 H . . 12.0 ppm . . . 4.85 . . 34604 1 3 . . N 15 N . . 29.5 ppm . . . 117.65 . . 34604 1 stop_ save_