data_27969 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27969 _Entry.Title ; Backbone amide and MILV methyl chemical shift assignments of mouse Interleukin-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-07-09 _Entry.Accession_date 2019-07-09 _Entry.Last_release_date 2019-07-10 _Entry.Original_release_date 2019-07-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Viviane 'De Paula' . S . . 27969 2 Nikolaos Sgourakis . . . . 27969 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . UCSC . 27969 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27969 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 330 27969 '15N chemical shifts' 84 27969 '1H chemical shifts' 268 27969 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2020-04-03 . original BMRB . 27969 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27970 'mIL-2/JES6-1 complex' 27969 BMRB 27971 mIL-2/IL-2Ralpha 27969 BMRB 27974 'R52A mutant' 27969 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27969 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32184322 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Interleukin-2 druggability is modulated by global conformational transitions controlled by a helical capping switch ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 117 _Citation.Journal_issue 13 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 7183 _Citation.Page_last 7192 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Viviane 'De Paula' V. S. . . 27969 1 2 Kevin Jude K. M. . . 27969 1 3 Santrupti Nerli S. . . . 27969 1 4 Caleb Glassman C. R. . . 27969 1 5 'K Christopher' Garcia K. C. . . 27969 1 6 Nikolaos Sgourakis N. G. . . 27969 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27969 _Assembly.ID 1 _Assembly.Name 'mIL-2 monomeric' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 IL-2 1 $IL-2 A . yes native no no . . . 27969 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 72 72 SG . 1 . 1 CYS 120 120 SG . . . . . . . . . . . . 27969 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IL-2 _Entity.Sf_category entity _Entity.Sf_framecode IL-2 _Entity.Entry_ID 27969 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IL-2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; APTSSSTSSSTAEAQQQQQQ QQQQQQHLEQLLMDLQELLS RMENYRNLKLPRMLTFKFYL PKQATELKDLQCLEDELGPL RHVLDLTQSKSFQLEDAENF ISNIRVTVVKLKGSDNTFEC QFDDESATVVDFLRRWIAFC QSIISTSPQAAAHHHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 160 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes PDB 4yqx . IL-2 . . . . . . . . . . . . . . 27969 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'cytokine responsible for T-cell proliferation crucial to regulation of the immune response' 27969 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 . ALA . 27969 1 2 . PRO . 27969 1 3 . THR . 27969 1 4 . SER . 27969 1 5 . SER . 27969 1 6 . SER . 27969 1 7 . THR . 27969 1 8 . SER . 27969 1 9 . SER . 27969 1 10 . SER . 27969 1 11 . THR . 27969 1 12 . ALA . 27969 1 13 . GLU . 27969 1 14 . ALA . 27969 1 15 . GLN . 27969 1 16 . GLN . 27969 1 17 . GLN . 27969 1 18 . GLN . 27969 1 19 . GLN . 27969 1 20 . GLN . 27969 1 21 . GLN . 27969 1 22 . GLN . 27969 1 23 . GLN . 27969 1 24 . GLN . 27969 1 25 . GLN . 27969 1 26 . GLN . 27969 1 27 . HIS . 27969 1 28 . LEU . 27969 1 29 . GLU . 27969 1 30 . GLN . 27969 1 31 . LEU . 27969 1 32 . LEU . 27969 1 33 . MET . 27969 1 34 . ASP . 27969 1 35 . LEU . 27969 1 36 . GLN . 27969 1 37 . GLU . 27969 1 38 . LEU . 27969 1 39 . LEU . 27969 1 40 . SER . 27969 1 41 . ARG . 27969 1 42 . MET . 27969 1 43 . GLU . 27969 1 44 . ASN . 27969 1 45 . TYR . 27969 1 46 . ARG . 27969 1 47 . ASN . 27969 1 48 . LEU . 27969 1 49 . LYS . 27969 1 50 . LEU . 27969 1 51 . PRO . 27969 1 52 . ARG . 27969 1 53 . MET . 27969 1 54 . LEU . 27969 1 55 . THR . 27969 1 56 . PHE . 27969 1 57 . LYS . 27969 1 58 . PHE . 27969 1 59 . TYR . 27969 1 60 . LEU . 27969 1 61 . PRO . 27969 1 62 . LYS . 27969 1 63 . GLN . 27969 1 64 . ALA . 27969 1 65 . THR . 27969 1 66 . GLU . 27969 1 67 . LEU . 27969 1 68 . LYS . 27969 1 69 . ASP . 27969 1 70 . LEU . 27969 1 71 . GLN . 27969 1 72 . CYS . 27969 1 73 . LEU . 27969 1 74 . GLU . 27969 1 75 . ASP . 27969 1 76 . GLU . 27969 1 77 . LEU . 27969 1 78 . GLY . 27969 1 79 . PRO . 27969 1 80 . LEU . 27969 1 81 . ARG . 27969 1 82 . HIS . 27969 1 83 . VAL . 27969 1 84 . LEU . 27969 1 85 . ASP . 27969 1 86 . LEU . 27969 1 87 . THR . 27969 1 88 . GLN . 27969 1 89 . SER . 27969 1 90 . LYS . 27969 1 91 . SER . 27969 1 92 . PHE . 27969 1 93 . GLN . 27969 1 94 . LEU . 27969 1 95 . GLU . 27969 1 96 . ASP . 27969 1 97 . ALA . 27969 1 98 . GLU . 27969 1 99 . ASN . 27969 1 100 . PHE . 27969 1 101 . ILE . 27969 1 102 . SER . 27969 1 103 . ASN . 27969 1 104 . ILE . 27969 1 105 . ARG . 27969 1 106 . VAL . 27969 1 107 . THR . 27969 1 108 . VAL . 27969 1 109 . VAL . 27969 1 110 . LYS . 27969 1 111 . LEU . 27969 1 112 . LYS . 27969 1 113 . GLY . 27969 1 114 . SER . 27969 1 115 . ASP . 27969 1 116 . ASN . 27969 1 117 . THR . 27969 1 118 . PHE . 27969 1 119 . GLU . 27969 1 120 . CYS . 27969 1 121 . GLN . 27969 1 122 . PHE . 27969 1 123 . ASP . 27969 1 124 . ASP . 27969 1 125 . GLU . 27969 1 126 . SER . 27969 1 127 . ALA . 27969 1 128 . THR . 27969 1 129 . VAL . 27969 1 130 . VAL . 27969 1 131 . ASP . 27969 1 132 . PHE . 27969 1 133 . LEU . 27969 1 134 . ARG . 27969 1 135 . ARG . 27969 1 136 . TRP . 27969 1 137 . ILE . 27969 1 138 . ALA . 27969 1 139 . PHE . 27969 1 140 . CYS . 27969 1 141 . GLN . 27969 1 142 . SER . 27969 1 143 . ILE . 27969 1 144 . ILE . 27969 1 145 . SER . 27969 1 146 . THR . 27969 1 147 . SER . 27969 1 148 . PRO . 27969 1 149 . GLN . 27969 1 150 . ALA . 27969 1 151 . ALA . 27969 1 152 . ALA . 27969 1 153 . HIS . 27969 1 154 . HIS . 27969 1 155 . HIS . 27969 1 156 . HIS . 27969 1 157 . HIS . 27969 1 158 . HIS . 27969 1 159 . HIS . 27969 1 160 . HIS . 27969 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 . ALA 1 1 27969 1 . PRO 2 2 27969 1 . THR 3 3 27969 1 . SER 4 4 27969 1 . SER 5 5 27969 1 . SER 6 6 27969 1 . THR 7 7 27969 1 . SER 8 8 27969 1 . SER 9 9 27969 1 . SER 10 10 27969 1 . THR 11 11 27969 1 . ALA 12 12 27969 1 . GLU 13 13 27969 1 . ALA 14 14 27969 1 . GLN 15 15 27969 1 . GLN 16 16 27969 1 . GLN 17 17 27969 1 . GLN 18 18 27969 1 . GLN 19 19 27969 1 . GLN 20 20 27969 1 . GLN 21 21 27969 1 . GLN 22 22 27969 1 . GLN 23 23 27969 1 . GLN 24 24 27969 1 . GLN 25 25 27969 1 . GLN 26 26 27969 1 . HIS 27 27 27969 1 . LEU 28 28 27969 1 . GLU 29 29 27969 1 . GLN 30 30 27969 1 . LEU 31 31 27969 1 . LEU 32 32 27969 1 . MET 33 33 27969 1 . ASP 34 34 27969 1 . LEU 35 35 27969 1 . GLN 36 36 27969 1 . GLU 37 37 27969 1 . LEU 38 38 27969 1 . LEU 39 39 27969 1 . SER 40 40 27969 1 . ARG 41 41 27969 1 . MET 42 42 27969 1 . GLU 43 43 27969 1 . ASN 44 44 27969 1 . TYR 45 45 27969 1 . ARG 46 46 27969 1 . ASN 47 47 27969 1 . LEU 48 48 27969 1 . LYS 49 49 27969 1 . LEU 50 50 27969 1 . PRO 51 51 27969 1 . ARG 52 52 27969 1 . MET 53 53 27969 1 . LEU 54 54 27969 1 . THR 55 55 27969 1 . PHE 56 56 27969 1 . LYS 57 57 27969 1 . PHE 58 58 27969 1 . TYR 59 59 27969 1 . LEU 60 60 27969 1 . PRO 61 61 27969 1 . LYS 62 62 27969 1 . GLN 63 63 27969 1 . ALA 64 64 27969 1 . THR 65 65 27969 1 . GLU 66 66 27969 1 . LEU 67 67 27969 1 . LYS 68 68 27969 1 . ASP 69 69 27969 1 . LEU 70 70 27969 1 . GLN 71 71 27969 1 . CYS 72 72 27969 1 . LEU 73 73 27969 1 . GLU 74 74 27969 1 . ASP 75 75 27969 1 . GLU 76 76 27969 1 . LEU 77 77 27969 1 . GLY 78 78 27969 1 . PRO 79 79 27969 1 . LEU 80 80 27969 1 . ARG 81 81 27969 1 . HIS 82 82 27969 1 . VAL 83 83 27969 1 . LEU 84 84 27969 1 . ASP 85 85 27969 1 . LEU 86 86 27969 1 . THR 87 87 27969 1 . GLN 88 88 27969 1 . SER 89 89 27969 1 . LYS 90 90 27969 1 . SER 91 91 27969 1 . PHE 92 92 27969 1 . GLN 93 93 27969 1 . LEU 94 94 27969 1 . GLU 95 95 27969 1 . ASP 96 96 27969 1 . ALA 97 97 27969 1 . GLU 98 98 27969 1 . ASN 99 99 27969 1 . PHE 100 100 27969 1 . ILE 101 101 27969 1 . SER 102 102 27969 1 . ASN 103 103 27969 1 . ILE 104 104 27969 1 . ARG 105 105 27969 1 . VAL 106 106 27969 1 . THR 107 107 27969 1 . VAL 108 108 27969 1 . VAL 109 109 27969 1 . LYS 110 110 27969 1 . LEU 111 111 27969 1 . LYS 112 112 27969 1 . GLY 113 113 27969 1 . SER 114 114 27969 1 . ASP 115 115 27969 1 . ASN 116 116 27969 1 . THR 117 117 27969 1 . PHE 118 118 27969 1 . GLU 119 119 27969 1 . CYS 120 120 27969 1 . GLN 121 121 27969 1 . PHE 122 122 27969 1 . ASP 123 123 27969 1 . ASP 124 124 27969 1 . GLU 125 125 27969 1 . SER 126 126 27969 1 . ALA 127 127 27969 1 . THR 128 128 27969 1 . VAL 129 129 27969 1 . VAL 130 130 27969 1 . ASP 131 131 27969 1 . PHE 132 132 27969 1 . LEU 133 133 27969 1 . ARG 134 134 27969 1 . ARG 135 135 27969 1 . TRP 136 136 27969 1 . ILE 137 137 27969 1 . ALA 138 138 27969 1 . PHE 139 139 27969 1 . CYS 140 140 27969 1 . GLN 141 141 27969 1 . SER 142 142 27969 1 . ILE 143 143 27969 1 . ILE 144 144 27969 1 . SER 145 145 27969 1 . THR 146 146 27969 1 . SER 147 147 27969 1 . PRO 148 148 27969 1 . GLN 149 149 27969 1 . ALA 150 150 27969 1 . ALA 151 151 27969 1 . ALA 152 152 27969 1 . HIS 153 153 27969 1 . HIS 154 154 27969 1 . HIS 155 155 27969 1 . HIS 156 156 27969 1 . HIS 157 157 27969 1 . HIS 158 158 27969 1 . HIS 159 159 27969 1 . HIS 160 160 27969 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27969 _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 $IL-2 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 27969 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 27969 _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 $IL-2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pMAL . . . 27969 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27969 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 IL-2 '[U-13C; U-15N; U-2H; MILV-methyl]' . . 1 $IL-2 . . 0.6 . . mM . . . . 27969 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27969 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27969 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 IL-2 '[13C MILV methyl; U-15N]' . . 1 $IL-2 . . 0.4 . . mM . . . . 27969 2 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27969 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 27969 _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' 0.15 . M 27969 1 pH 7.0 . pH 27969 1 pressure 1 . atm 27969 1 temperature 298 . K 27969 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 27969 _Software.ID 1 _Software.Type . _Software.Name CCPN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27969 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27969 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27969 1 . processing 27969 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27969 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27969 _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 spectrometer_1 Bruker Avance . 800 . . . 27969 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 27969 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27969 1 2 '2D 1H-13C HMQC methyl' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27969 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27969 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27969 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27969 1 6 '3D 1H-13C NOESY aliphatic (CCH)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27969 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27969 1 8 '3D HMCM(CG)CBCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27969 1 9 '3D 1H-13C NOESY aliphatic (HCH)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27969 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27969 _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 . indirect 0.251449530 . . . . . 27969 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27969 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 27969 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27969 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY-HSQC' . . . 27969 1 2 '2D 1H-13C HMQC methyl' . . . 27969 1 3 '3D HNCO' . . . 27969 1 4 '3D HNCA' . . . 27969 1 5 '3D HNCACB' . . . 27969 1 6 '3D 1H-13C NOESY aliphatic (CCH)' . . . 27969 1 7 '3D 1H-15N NOESY' . . . 27969 1 8 '3D HMCM(CG)CBCA' . . . 27969 1 9 '3D 1H-13C NOESY aliphatic (HCH)' . . . 27969 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CCPN . . 27969 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 2 2 PRO C C 13 174.591 0.3 . 1 . . . . . 2 PRO C . 27969 1 2 . 1 . 1 2 2 PRO CA C 13 60.946 0.3 . 1 . . . . . 2 PRO CA . 27969 1 3 . 1 . 1 2 2 PRO CB C 13 30.598 0.3 . 1 . . . . . 2 PRO CB . 27969 1 4 . 1 . 1 3 3 THR H H 1 8.137 0.020 . 1 . . . . . 3 THR H . 27969 1 5 . 1 . 1 3 3 THR CA C 13 59.544 0.3 . 1 . . . . . 3 THR CA . 27969 1 6 . 1 . 1 3 3 THR CB C 13 68.758 0.3 . 1 . . . . . 3 THR CB . 27969 1 7 . 1 . 1 3 3 THR N N 15 114.406 0.3 . 1 . . . . . 3 THR N . 27969 1 8 . 1 . 1 10 10 SER C C 13 172.584 0.3 . 1 . . . . . 10 SER C . 27969 1 9 . 1 . 1 10 10 SER CA C 13 56.434 0.3 . 1 . . . . . 10 SER CA . 27969 1 10 . 1 . 1 10 10 SER CB C 13 62.412 0.3 . 1 . . . . . 10 SER CB . 27969 1 11 . 1 . 1 11 11 THR H H 1 8.059 0.020 . 1 . . . . . 11 THR H . 27969 1 12 . 1 . 1 11 11 THR C C 13 172.355 0.3 . 1 . . . . . 11 THR C . 27969 1 13 . 1 . 1 11 11 THR CA C 13 60.456 0.3 . 1 . . . . . 11 THR CA . 27969 1 14 . 1 . 1 11 11 THR CB C 13 68.447 0.3 . 1 . . . . . 11 THR CB . 27969 1 15 . 1 . 1 11 11 THR N N 15 116.416 0.3 . 1 . . . . . 11 THR N . 27969 1 16 . 1 . 1 12 12 ALA H H 1 8.204 0.020 . 1 . . . . . 12 ALA H . 27969 1 17 . 1 . 1 12 12 ALA C C 13 176.465 0.3 . 1 . . . . . 12 ALA C . 27969 1 18 . 1 . 1 12 12 ALA CA C 13 51.707 0.3 . 1 . . . . . 12 ALA CA . 27969 1 19 . 1 . 1 12 12 ALA CB C 13 17.280 0.3 . 1 . . . . . 12 ALA CB . 27969 1 20 . 1 . 1 12 12 ALA N N 15 125.850 0.3 . 1 . . . . . 12 ALA N . 27969 1 21 . 1 . 1 13 13 GLU H H 1 8.248 0.020 . 1 . . . . . 13 GLU H . 27969 1 22 . 1 . 1 13 13 GLU C C 13 175.061 0.3 . 1 . . . . . 13 GLU C . 27969 1 23 . 1 . 1 13 13 GLU CA C 13 56.019 0.3 . 1 . . . . . 13 GLU CA . 27969 1 24 . 1 . 1 13 13 GLU CB C 13 28.261 0.3 . 1 . . . . . 13 GLU CB . 27969 1 25 . 1 . 1 13 13 GLU N N 15 119.853 0.3 . 1 . . . . . 13 GLU N . 27969 1 26 . 1 . 1 14 14 ALA H H 1 8.024 0.020 . 1 . . . . . 14 ALA H . 27969 1 27 . 1 . 1 14 14 ALA C C 13 176.837 0.3 . 1 . . . . . 14 ALA C . 27969 1 28 . 1 . 1 14 14 ALA CA C 13 51.773 0.3 . 1 . . . . . 14 ALA CA . 27969 1 29 . 1 . 1 14 14 ALA CB C 13 17.125 0.3 . 1 . . . . . 14 ALA CB . 27969 1 30 . 1 . 1 14 14 ALA N N 15 123.873 0.3 . 1 . . . . . 14 ALA N . 27969 1 31 . 1 . 1 15 15 GLN H H 1 8.090 0.020 . 1 . . . . . 15 GLN H . 27969 1 32 . 1 . 1 15 15 GLN C C 13 175.021 0.3 . 1 . . . . . 15 GLN C . 27969 1 33 . 1 . 1 15 15 GLN CA C 13 55.429 0.3 . 1 . . . . . 15 GLN CA . 27969 1 34 . 1 . 1 15 15 GLN CB C 13 27.327 0.3 . 1 . . . . . 15 GLN CB . 27969 1 35 . 1 . 1 15 15 GLN N N 15 118.898 0.3 . 1 . . . . . 15 GLN N . 27969 1 36 . 1 . 1 16 16 GLN H H 1 8.081 0.020 . 1 . . . . . 16 GLN H . 27969 1 37 . 1 . 1 16 16 GLN C C 13 175.145 0.3 . 1 . . . . . 16 GLN C . 27969 1 38 . 1 . 1 16 16 GLN CA C 13 55.526 0.3 . 1 . . . . . 16 GLN CA . 27969 1 39 . 1 . 1 16 16 GLN CB C 13 27.249 0.3 . 1 . . . . . 16 GLN CB . 27969 1 40 . 1 . 1 16 16 GLN N N 15 120.718 0.3 . 1 . . . . . 16 GLN N . 27969 1 41 . 1 . 1 17 17 GLN H H 1 8.120 0.020 . 1 . . . . . 17 GLN H . 27969 1 42 . 1 . 1 17 17 GLN C C 13 175.078 0.3 . 1 . . . . . 17 GLN C . 27969 1 43 . 1 . 1 17 17 GLN CA C 13 55.981 0.3 . 1 . . . . . 17 GLN CA . 27969 1 44 . 1 . 1 17 17 GLN CB C 13 27.093 0.3 . 1 . . . . . 17 GLN CB . 27969 1 45 . 1 . 1 17 17 GLN N N 15 120.358 0.3 . 1 . . . . . 17 GLN N . 27969 1 46 . 1 . 1 18 18 GLN H H 1 8.156 0.020 . 1 . . . . . 18 GLN H . 27969 1 47 . 1 . 1 18 18 GLN C C 13 175.120 0.3 . 1 . . . . . 18 GLN C . 27969 1 48 . 1 . 1 18 18 GLN CA C 13 56.091 0.3 . 1 . . . . . 18 GLN CA . 27969 1 49 . 1 . 1 18 18 GLN CB C 13 27.093 0.3 . 1 . . . . . 18 GLN CB . 27969 1 50 . 1 . 1 18 18 GLN N N 15 120.459 0.3 . 1 . . . . . 18 GLN N . 27969 1 51 . 1 . 1 19 19 GLN H H 1 8.107 0.020 . 1 . . . . . 19 GLN H . 27969 1 52 . 1 . 1 19 19 GLN CA C 13 55.845 0.3 . 1 . . . . . 19 GLN CA . 27969 1 53 . 1 . 1 19 19 GLN CB C 13 27.093 0.3 . 1 . . . . . 19 GLN CB . 27969 1 54 . 1 . 1 19 19 GLN N N 15 120.480 0.3 . 1 . . . . . 19 GLN N . 27969 1 55 . 1 . 1 25 25 GLN C C 13 175.172 0.3 . 1 . . . . . 25 GLN C . 27969 1 56 . 1 . 1 25 25 GLN CA C 13 57.035 0.3 . 1 . . . . . 25 GLN CA . 27969 1 57 . 1 . 1 25 25 GLN CB C 13 27.750 0.3 . 1 . . . . . 25 GLN CB . 27969 1 58 . 1 . 1 26 26 GLN H H 1 7.733 0.020 . 1 . . . . . 26 GLN H . 27969 1 59 . 1 . 1 26 26 GLN C C 13 176.704 0.3 . 1 . . . . . 26 GLN C . 27969 1 60 . 1 . 1 26 26 GLN CA C 13 56.784 0.3 . 1 . . . . . 26 GLN CA . 27969 1 61 . 1 . 1 26 26 GLN CB C 13 26.680 0.3 . 1 . . . . . 26 GLN CB . 27969 1 62 . 1 . 1 26 26 GLN N N 15 118.617 0.3 . 1 . . . . . 26 GLN N . 27969 1 63 . 1 . 1 27 27 HIS H H 1 7.940 0.020 . 1 . . . . . 27 HIS H . 27969 1 64 . 1 . 1 27 27 HIS C C 13 174.838 0.3 . 1 . . . . . 27 HIS C . 27969 1 65 . 1 . 1 27 27 HIS CA C 13 56.628 0.3 . 1 . . . . . 27 HIS CA . 27969 1 66 . 1 . 1 27 27 HIS CB C 13 28.807 0.3 . 1 . . . . . 27 HIS CB . 27969 1 67 . 1 . 1 27 27 HIS N N 15 119.325 0.3 . 1 . . . . . 27 HIS N . 27969 1 68 . 1 . 1 28 28 LEU H H 1 8.323 0.020 . 1 . . . . . 28 LEU H . 27969 1 69 . 1 . 1 28 28 LEU HD11 H 1 0.939 0.020 . 2 . . . . . 28 LEU HD1 . 27969 1 70 . 1 . 1 28 28 LEU HD12 H 1 0.939 0.020 . 2 . . . . . 28 LEU HD1 . 27969 1 71 . 1 . 1 28 28 LEU HD13 H 1 0.939 0.020 . 2 . . . . . 28 LEU HD1 . 27969 1 72 . 1 . 1 28 28 LEU HD21 H 1 0.949 0.020 . 2 . . . . . 28 LEU HD2 . 27969 1 73 . 1 . 1 28 28 LEU HD22 H 1 0.949 0.020 . 2 . . . . . 28 LEU HD2 . 27969 1 74 . 1 . 1 28 28 LEU HD23 H 1 0.949 0.020 . 2 . . . . . 28 LEU HD2 . 27969 1 75 . 1 . 1 28 28 LEU C C 13 175.718 0.3 . 1 . . . . . 28 LEU C . 27969 1 76 . 1 . 1 28 28 LEU CA C 13 56.052 0.3 . 1 . . . . . 28 LEU CA . 27969 1 77 . 1 . 1 28 28 LEU CB C 13 40.878 0.3 . 1 . . . . . 28 LEU CB . 27969 1 78 . 1 . 1 28 28 LEU CD1 C 13 25.584 0.3 . 1 . . . . . 28 LEU CD1 . 27969 1 79 . 1 . 1 28 28 LEU CD2 C 13 24.627 0.3 . 1 . . . . . 28 LEU CD2 . 27969 1 80 . 1 . 1 28 28 LEU N N 15 121.200 0.3 . 1 . . . . . 28 LEU N . 27969 1 81 . 1 . 1 29 29 GLU H H 1 8.235 0.020 . 1 . . . . . 29 GLU H . 27969 1 82 . 1 . 1 29 29 GLU C C 13 176.440 0.3 . 1 . . . . . 29 GLU C . 27969 1 83 . 1 . 1 29 29 GLU CA C 13 57.614 0.3 . 1 . . . . . 29 GLU CA . 27969 1 84 . 1 . 1 29 29 GLU CB C 13 27.935 0.3 . 1 . . . . . 29 GLU CB . 27969 1 85 . 1 . 1 29 29 GLU N N 15 118.494 0.3 . 1 . . . . . 29 GLU N . 27969 1 86 . 1 . 1 30 30 GLN H H 1 7.821 0.020 . 1 . . . . . 30 GLN H . 27969 1 87 . 1 . 1 30 30 GLN C C 13 174.521 0.3 . 1 . . . . . 30 GLN C . 27969 1 88 . 1 . 1 30 30 GLN CA C 13 56.314 0.3 . 1 . . . . . 30 GLN CA . 27969 1 89 . 1 . 1 30 30 GLN CB C 13 27.093 0.3 . 1 . . . . . 30 GLN CB . 27969 1 90 . 1 . 1 30 30 GLN N N 15 120.661 0.3 . 1 . . . . . 30 GLN N . 27969 1 91 . 1 . 1 31 31 LEU H H 1 8.244 0.020 . 1 . . . . . 31 LEU H . 27969 1 92 . 1 . 1 31 31 LEU HD11 H 1 0.752 0.020 . 2 . . . . . 31 LEU HD1 . 27969 1 93 . 1 . 1 31 31 LEU HD12 H 1 0.752 0.020 . 2 . . . . . 31 LEU HD1 . 27969 1 94 . 1 . 1 31 31 LEU HD13 H 1 0.752 0.020 . 2 . . . . . 31 LEU HD1 . 27969 1 95 . 1 . 1 31 31 LEU HD21 H 1 0.941 0.020 . 2 . . . . . 31 LEU HD2 . 27969 1 96 . 1 . 1 31 31 LEU HD22 H 1 0.941 0.020 . 2 . . . . . 31 LEU HD2 . 27969 1 97 . 1 . 1 31 31 LEU HD23 H 1 0.941 0.020 . 2 . . . . . 31 LEU HD2 . 27969 1 98 . 1 . 1 31 31 LEU CA C 13 55.480 0.3 . 1 . . . . . 31 LEU CA . 27969 1 99 . 1 . 1 31 31 LEU CB C 13 39.943 0.3 . 1 . . . . . 31 LEU CB . 27969 1 100 . 1 . 1 31 31 LEU CD1 C 13 26.519 0.3 . 1 . . . . . 31 LEU CD1 . 27969 1 101 . 1 . 1 31 31 LEU CD2 C 13 22.659 0.3 . 1 . . . . . 31 LEU CD2 . 27969 1 102 . 1 . 1 31 31 LEU N N 15 121.459 0.3 . 1 . . . . . 31 LEU N . 27969 1 103 . 1 . 1 32 32 LEU HD11 H 1 1.027 0.020 . 2 . . . . . 32 LEU HD1 . 27969 1 104 . 1 . 1 32 32 LEU HD12 H 1 1.027 0.020 . 2 . . . . . 32 LEU HD1 . 27969 1 105 . 1 . 1 32 32 LEU HD13 H 1 1.027 0.020 . 2 . . . . . 32 LEU HD1 . 27969 1 106 . 1 . 1 32 32 LEU HD21 H 1 0.939 0.020 . 2 . . . . . 32 LEU HD2 . 27969 1 107 . 1 . 1 32 32 LEU HD22 H 1 0.939 0.020 . 2 . . . . . 32 LEU HD2 . 27969 1 108 . 1 . 1 32 32 LEU HD23 H 1 0.939 0.020 . 2 . . . . . 32 LEU HD2 . 27969 1 109 . 1 . 1 32 32 LEU C C 13 175.577 0.3 . 1 . . . . . 32 LEU C . 27969 1 110 . 1 . 1 32 32 LEU CA C 13 56.517 0.3 . 1 . . . . . 32 LEU CA . 27969 1 111 . 1 . 1 32 32 LEU CB C 13 40.480 0.3 . 1 . . . . . 32 LEU CB . 27969 1 112 . 1 . 1 32 32 LEU CD1 C 13 25.518 0.3 . 1 . . . . . 32 LEU CD1 . 27969 1 113 . 1 . 1 32 32 LEU CD2 C 13 26.484 0.3 . 1 . . . . . 32 LEU CD2 . 27969 1 114 . 1 . 1 33 33 MET H H 1 7.878 0.020 . 1 . . . . . 33 MET H . 27969 1 115 . 1 . 1 33 33 MET HE1 H 1 2.127 0.020 . 1 . . . . . 33 MET HE . 27969 1 116 . 1 . 1 33 33 MET HE2 H 1 2.127 0.020 . 1 . . . . . 33 MET HE . 27969 1 117 . 1 . 1 33 33 MET HE3 H 1 2.127 0.020 . 1 . . . . . 33 MET HE . 27969 1 118 . 1 . 1 33 33 MET C C 13 176.661 0.3 . 1 . . . . . 33 MET C . 27969 1 119 . 1 . 1 33 33 MET CA C 13 56.961 0.3 . 1 . . . . . 33 MET CA . 27969 1 120 . 1 . 1 33 33 MET CB C 13 31.124 0.3 . 1 . . . . . 33 MET CB . 27969 1 121 . 1 . 1 33 33 MET CE C 13 17.024 0.3 . 1 . . . . . 33 MET CE . 27969 1 122 . 1 . 1 33 33 MET N N 15 117.798 0.3 . 1 . . . . . 33 MET N . 27969 1 123 . 1 . 1 34 34 ASP H H 1 8.468 0.020 . 1 . . . . . 34 ASP H . 27969 1 124 . 1 . 1 34 34 ASP C C 13 176.405 0.3 . 1 . . . . . 34 ASP C . 27969 1 125 . 1 . 1 34 34 ASP CA C 13 55.985 0.3 . 1 . . . . . 34 ASP CA . 27969 1 126 . 1 . 1 34 34 ASP CB C 13 39.087 0.3 . 1 . . . . . 34 ASP CB . 27969 1 127 . 1 . 1 34 34 ASP N N 15 122.492 0.3 . 1 . . . . . 34 ASP N . 27969 1 128 . 1 . 1 35 35 LEU H H 1 8.737 0.020 . 1 . . . . . 35 LEU H . 27969 1 129 . 1 . 1 35 35 LEU HD11 H 1 0.781 0.020 . 2 . . . . . 35 LEU HD1 . 27969 1 130 . 1 . 1 35 35 LEU HD12 H 1 0.781 0.020 . 2 . . . . . 35 LEU HD1 . 27969 1 131 . 1 . 1 35 35 LEU HD13 H 1 0.781 0.020 . 2 . . . . . 35 LEU HD1 . 27969 1 132 . 1 . 1 35 35 LEU HD21 H 1 0.713 0.020 . 2 . . . . . 35 LEU HD2 . 27969 1 133 . 1 . 1 35 35 LEU HD22 H 1 0.713 0.020 . 2 . . . . . 35 LEU HD2 . 27969 1 134 . 1 . 1 35 35 LEU HD23 H 1 0.713 0.020 . 2 . . . . . 35 LEU HD2 . 27969 1 135 . 1 . 1 35 35 LEU C C 13 176.916 0.3 . 1 . . . . . 35 LEU C . 27969 1 136 . 1 . 1 35 35 LEU CA C 13 56.157 0.3 . 1 . . . . . 35 LEU CA . 27969 1 137 . 1 . 1 35 35 LEU CB C 13 40.956 0.3 . 1 . . . . . 35 LEU CB . 27969 1 138 . 1 . 1 35 35 LEU CD1 C 13 26.840 0.3 . 1 . . . . . 35 LEU CD1 . 27969 1 139 . 1 . 1 35 35 LEU CD2 C 13 21.524 0.3 . 1 . . . . . 35 LEU CD2 . 27969 1 140 . 1 . 1 35 35 LEU N N 15 119.771 0.3 . 1 . . . . . 35 LEU N . 27969 1 141 . 1 . 1 36 36 GLN H H 1 8.570 0.020 . 1 . . . . . 36 GLN H . 27969 1 142 . 1 . 1 36 36 GLN C C 13 176.616 0.3 . 1 . . . . . 36 GLN C . 27969 1 143 . 1 . 1 36 36 GLN CA C 13 57.278 0.3 . 1 . . . . . 36 GLN CA . 27969 1 144 . 1 . 1 36 36 GLN N N 15 118.334 0.3 . 1 . . . . . 36 GLN N . 27969 1 145 . 1 . 1 37 37 GLU H H 1 8.312 0.020 . 1 . . . . . 37 GLU H . 27969 1 146 . 1 . 1 37 37 GLU CA C 13 56.998 0.3 . 1 . . . . . 37 GLU CA . 27969 1 147 . 1 . 1 37 37 GLU CB C 13 27.538 0.3 . 1 . . . . . 37 GLU CB . 27969 1 148 . 1 . 1 37 37 GLU N N 15 122.807 0.3 . 1 . . . . . 37 GLU N . 27969 1 149 . 1 . 1 38 38 LEU HD11 H 1 0.825 0.020 . 2 . . . . . 38 LEU HD1 . 27969 1 150 . 1 . 1 38 38 LEU HD12 H 1 0.825 0.020 . 2 . . . . . 38 LEU HD1 . 27969 1 151 . 1 . 1 38 38 LEU HD13 H 1 0.825 0.020 . 2 . . . . . 38 LEU HD1 . 27969 1 152 . 1 . 1 38 38 LEU HD21 H 1 0.870 0.020 . 2 . . . . . 38 LEU HD2 . 27969 1 153 . 1 . 1 38 38 LEU HD22 H 1 0.870 0.020 . 2 . . . . . 38 LEU HD2 . 27969 1 154 . 1 . 1 38 38 LEU HD23 H 1 0.870 0.020 . 2 . . . . . 38 LEU HD2 . 27969 1 155 . 1 . 1 38 38 LEU C C 13 172.197 0.3 . 1 . . . . . 38 LEU C . 27969 1 156 . 1 . 1 38 38 LEU CA C 13 59.757 0.3 . 1 . . . . . 38 LEU CA . 27969 1 157 . 1 . 1 38 38 LEU CD1 C 13 23.099 0.3 . 1 . . . . . 38 LEU CD1 . 27969 1 158 . 1 . 1 38 38 LEU CD2 C 13 25.503 0.3 . 1 . . . . . 38 LEU CD2 . 27969 1 159 . 1 . 1 39 39 LEU H H 1 8.086 0.020 . 1 . . . . . 39 LEU H . 27969 1 160 . 1 . 1 39 39 LEU HA H 1 4.611 0.020 . 1 . . . . . 39 LEU HA . 27969 1 161 . 1 . 1 39 39 LEU HD11 H 1 0.860 0.020 . 2 . . . . . 39 LEU HD1 . 27969 1 162 . 1 . 1 39 39 LEU HD12 H 1 0.860 0.020 . 2 . . . . . 39 LEU HD1 . 27969 1 163 . 1 . 1 39 39 LEU HD13 H 1 0.860 0.020 . 2 . . . . . 39 LEU HD1 . 27969 1 164 . 1 . 1 39 39 LEU HD21 H 1 0.753 0.020 . 2 . . . . . 39 LEU HD2 . 27969 1 165 . 1 . 1 39 39 LEU HD22 H 1 0.753 0.020 . 2 . . . . . 39 LEU HD2 . 27969 1 166 . 1 . 1 39 39 LEU HD23 H 1 0.753 0.020 . 2 . . . . . 39 LEU HD2 . 27969 1 167 . 1 . 1 39 39 LEU C C 13 175.683 0.3 . 1 . . . . . 39 LEU C . 27969 1 168 . 1 . 1 39 39 LEU CA C 13 59.610 0.3 . 1 . . . . . 39 LEU CA . 27969 1 169 . 1 . 1 39 39 LEU CB C 13 39.804 0.3 . 1 . . . . . 39 LEU CB . 27969 1 170 . 1 . 1 39 39 LEU CD1 C 13 25.458 0.3 . 1 . . . . . 39 LEU CD1 . 27969 1 171 . 1 . 1 39 39 LEU CD2 C 13 22.060 0.3 . 1 . . . . . 39 LEU CD2 . 27969 1 172 . 1 . 1 39 39 LEU N N 15 115.904 0.3 . 1 . . . . . 39 LEU N . 27969 1 173 . 1 . 1 41 41 ARG C C 13 174.767 0.3 . 1 . . . . . 41 ARG C . 27969 1 174 . 1 . 1 41 41 ARG CA C 13 56.016 0.3 . 1 . . . . . 41 ARG CA . 27969 1 175 . 1 . 1 41 41 ARG CB C 13 28.898 0.3 . 1 . . . . . 41 ARG CB . 27969 1 176 . 1 . 1 42 42 MET H H 1 8.010 0.020 . 1 . . . . . 42 MET H . 27969 1 177 . 1 . 1 42 42 MET HA H 1 4.611 0.020 . 1 . . . . . 42 MET HA . 27969 1 178 . 1 . 1 42 42 MET HE1 H 1 1.829 0.020 . 1 . . . . . 42 MET HE . 27969 1 179 . 1 . 1 42 42 MET HE2 H 1 1.829 0.020 . 1 . . . . . 42 MET HE . 27969 1 180 . 1 . 1 42 42 MET HE3 H 1 1.829 0.020 . 1 . . . . . 42 MET HE . 27969 1 181 . 1 . 1 42 42 MET C C 13 175.120 0.3 . 1 . . . . . 42 MET C . 27969 1 182 . 1 . 1 42 42 MET CA C 13 57.185 0.3 . 1 . . . . . 42 MET CA . 27969 1 183 . 1 . 1 42 42 MET CB C 13 27.624 0.3 . 1 . . . . . 42 MET CB . 27969 1 184 . 1 . 1 42 42 MET CE C 13 18.334 0.3 . 1 . . . . . 42 MET CE . 27969 1 185 . 1 . 1 42 42 MET N N 15 119.246 0.3 . 1 . . . . . 42 MET N . 27969 1 186 . 1 . 1 43 43 GLU H H 1 7.936 0.020 . 1 . . . . . 43 GLU H . 27969 1 187 . 1 . 1 43 43 GLU CA C 13 57.097 0.3 . 1 . . . . . 43 GLU CA . 27969 1 188 . 1 . 1 43 43 GLU CB C 13 26.507 0.3 . 1 . . . . . 43 GLU CB . 27969 1 189 . 1 . 1 43 43 GLU N N 15 118.281 0.3 . 1 . . . . . 43 GLU N . 27969 1 190 . 1 . 1 48 48 LEU HD11 H 1 0.881 0.020 . 2 . . . . . 48 LEU HD1 . 27969 1 191 . 1 . 1 48 48 LEU HD12 H 1 0.881 0.020 . 2 . . . . . 48 LEU HD1 . 27969 1 192 . 1 . 1 48 48 LEU HD13 H 1 0.881 0.020 . 2 . . . . . 48 LEU HD1 . 27969 1 193 . 1 . 1 48 48 LEU HD21 H 1 0.871 0.020 . 2 . . . . . 48 LEU HD2 . 27969 1 194 . 1 . 1 48 48 LEU HD22 H 1 0.871 0.020 . 2 . . . . . 48 LEU HD2 . 27969 1 195 . 1 . 1 48 48 LEU HD23 H 1 0.871 0.020 . 2 . . . . . 48 LEU HD2 . 27969 1 196 . 1 . 1 48 48 LEU CD1 C 13 25.027 0.3 . 1 . . . . . 48 LEU CD1 . 27969 1 197 . 1 . 1 48 48 LEU CD2 C 13 22.799 0.3 . 1 . . . . . 48 LEU CD2 . 27969 1 198 . 1 . 1 50 50 LEU HD11 H 1 0.883 0.020 . 2 . . . . . 50 LEU HD1 . 27969 1 199 . 1 . 1 50 50 LEU HD12 H 1 0.883 0.020 . 2 . . . . . 50 LEU HD1 . 27969 1 200 . 1 . 1 50 50 LEU HD13 H 1 0.883 0.020 . 2 . . . . . 50 LEU HD1 . 27969 1 201 . 1 . 1 50 50 LEU HD21 H 1 0.902 0.020 . 2 . . . . . 50 LEU HD2 . 27969 1 202 . 1 . 1 50 50 LEU HD22 H 1 0.902 0.020 . 2 . . . . . 50 LEU HD2 . 27969 1 203 . 1 . 1 50 50 LEU HD23 H 1 0.902 0.020 . 2 . . . . . 50 LEU HD2 . 27969 1 204 . 1 . 1 50 50 LEU CD1 C 13 25.648 0.3 . 1 . . . . . 50 LEU CD1 . 27969 1 205 . 1 . 1 50 50 LEU CD2 C 13 23.016 0.3 . 1 . . . . . 50 LEU CD2 . 27969 1 206 . 1 . 1 53 53 MET HE1 H 1 2.047 0.020 . 1 . . . . . 53 MET HE . 27969 1 207 . 1 . 1 53 53 MET HE2 H 1 2.047 0.020 . 1 . . . . . 53 MET HE . 27969 1 208 . 1 . 1 53 53 MET HE3 H 1 2.047 0.020 . 1 . . . . . 53 MET HE . 27969 1 209 . 1 . 1 53 53 MET CE C 13 17.800 0.3 . 1 . . . . . 53 MET CE . 27969 1 210 . 1 . 1 54 54 LEU H H 1 9.095 0.020 . 1 . . . . . 54 LEU H . 27969 1 211 . 1 . 1 54 54 LEU HD11 H 1 0.818 0.020 . 2 . . . . . 54 LEU HD1 . 27969 1 212 . 1 . 1 54 54 LEU HD12 H 1 0.818 0.020 . 2 . . . . . 54 LEU HD1 . 27969 1 213 . 1 . 1 54 54 LEU HD13 H 1 0.818 0.020 . 2 . . . . . 54 LEU HD1 . 27969 1 214 . 1 . 1 54 54 LEU HD21 H 1 0.864 0.020 . 2 . . . . . 54 LEU HD2 . 27969 1 215 . 1 . 1 54 54 LEU HD22 H 1 0.864 0.020 . 2 . . . . . 54 LEU HD2 . 27969 1 216 . 1 . 1 54 54 LEU HD23 H 1 0.864 0.020 . 2 . . . . . 54 LEU HD2 . 27969 1 217 . 1 . 1 54 54 LEU C C 13 174.539 0.3 . 1 . . . . . 54 LEU C . 27969 1 218 . 1 . 1 54 54 LEU CA C 13 47.810 0.3 . 1 . . . . . 54 LEU CA . 27969 1 219 . 1 . 1 54 54 LEU CB C 13 48.594 0.3 . 1 . . . . . 54 LEU CB . 27969 1 220 . 1 . 1 54 54 LEU CD1 C 13 24.902 0.3 . 1 . . . . . 54 LEU CD1 . 27969 1 221 . 1 . 1 54 54 LEU CD2 C 13 24.515 0.3 . 1 . . . . . 54 LEU CD2 . 27969 1 222 . 1 . 1 54 54 LEU N N 15 124.560 0.3 . 1 . . . . . 54 LEU N . 27969 1 223 . 1 . 1 55 55 THR H H 1 8.415 0.020 . 1 . . . . . 55 THR H . 27969 1 224 . 1 . 1 55 55 THR CA C 13 58.669 0.3 . 1 . . . . . 55 THR CA . 27969 1 225 . 1 . 1 55 55 THR CB C 13 71.328 0.3 . 1 . . . . . 55 THR CB . 27969 1 226 . 1 . 1 55 55 THR N N 15 109.676 0.3 . 1 . . . . . 55 THR N . 27969 1 227 . 1 . 1 56 56 PHE C C 13 173.764 0.3 . 1 . . . . . 56 PHE C . 27969 1 228 . 1 . 1 56 56 PHE CA C 13 52.987 0.3 . 1 . . . . . 56 PHE CA . 27969 1 229 . 1 . 1 56 56 PHE CB C 13 40.283 0.3 . 1 . . . . . 56 PHE CB . 27969 1 230 . 1 . 1 57 57 LYS H H 1 8.279 0.020 . 1 . . . . . 57 LYS H . 27969 1 231 . 1 . 1 57 57 LYS C C 13 175.806 0.3 . 1 . . . . . 57 LYS C . 27969 1 232 . 1 . 1 57 57 LYS CA C 13 55.261 0.3 . 1 . . . . . 57 LYS CA . 27969 1 233 . 1 . 1 57 57 LYS CB C 13 28.807 0.3 . 1 . . . . . 57 LYS CB . 27969 1 234 . 1 . 1 57 57 LYS N N 15 123.256 0.3 . 1 . . . . . 57 LYS N . 27969 1 235 . 1 . 1 58 58 PHE H H 1 8.647 0.020 . 1 . . . . . 58 PHE H . 27969 1 236 . 1 . 1 58 58 PHE C C 13 175.243 0.3 . 1 . . . . . 58 PHE C . 27969 1 237 . 1 . 1 58 58 PHE CA C 13 56.503 0.3 . 1 . . . . . 58 PHE CA . 27969 1 238 . 1 . 1 58 58 PHE CB C 13 39.905 0.3 . 1 . . . . . 58 PHE CB . 27969 1 239 . 1 . 1 58 58 PHE N N 15 118.617 0.3 . 1 . . . . . 58 PHE N . 27969 1 240 . 1 . 1 59 59 TYR H H 1 7.894 0.020 . 1 . . . . . 59 TYR H . 27969 1 241 . 1 . 1 59 59 TYR C C 13 176.194 0.3 . 1 . . . . . 59 TYR C . 27969 1 242 . 1 . 1 59 59 TYR CA C 13 54.915 0.3 . 1 . . . . . 59 TYR CA . 27969 1 243 . 1 . 1 59 59 TYR CB C 13 39.632 0.3 . 1 . . . . . 59 TYR CB . 27969 1 244 . 1 . 1 59 59 TYR N N 15 119.328 0.3 . 1 . . . . . 59 TYR N . 27969 1 245 . 1 . 1 60 60 LEU HD11 H 1 0.973 0.020 . 2 . . . . . 60 LEU HD1 . 27969 1 246 . 1 . 1 60 60 LEU HD12 H 1 0.973 0.020 . 2 . . . . . 60 LEU HD1 . 27969 1 247 . 1 . 1 60 60 LEU HD13 H 1 0.973 0.020 . 2 . . . . . 60 LEU HD1 . 27969 1 248 . 1 . 1 60 60 LEU HD21 H 1 0.927 0.020 . 2 . . . . . 60 LEU HD2 . 27969 1 249 . 1 . 1 60 60 LEU HD22 H 1 0.927 0.020 . 2 . . . . . 60 LEU HD2 . 27969 1 250 . 1 . 1 60 60 LEU HD23 H 1 0.927 0.020 . 2 . . . . . 60 LEU HD2 . 27969 1 251 . 1 . 1 60 60 LEU CD1 C 13 25.215 0.3 . 1 . . . . . 60 LEU CD1 . 27969 1 252 . 1 . 1 60 60 LEU CD2 C 13 22.277 0.3 . 1 . . . . . 60 LEU CD2 . 27969 1 253 . 1 . 1 61 61 PRO C C 13 174.926 0.3 . 1 . . . . . 61 PRO C . 27969 1 254 . 1 . 1 62 62 LYS H H 1 7.905 0.020 . 1 . . . . . 62 LYS H . 27969 1 255 . 1 . 1 62 62 LYS C C 13 173.746 0.3 . 1 . . . . . 62 LYS C . 27969 1 256 . 1 . 1 62 62 LYS CA C 13 53.988 0.3 . 1 . . . . . 62 LYS CA . 27969 1 257 . 1 . 1 62 62 LYS CB C 13 29.352 0.3 . 1 . . . . . 62 LYS CB . 27969 1 258 . 1 . 1 62 62 LYS N N 15 117.899 0.3 . 1 . . . . . 62 LYS N . 27969 1 259 . 1 . 1 63 63 GLN H H 1 7.971 0.020 . 1 . . . . . 63 GLN H . 27969 1 260 . 1 . 1 63 63 GLN C C 13 173.236 0.3 . 1 . . . . . 63 GLN C . 27969 1 261 . 1 . 1 63 63 GLN CA C 13 53.843 0.3 . 1 . . . . . 63 GLN CA . 27969 1 262 . 1 . 1 63 63 GLN CB C 13 27.654 0.3 . 1 . . . . . 63 GLN CB . 27969 1 263 . 1 . 1 63 63 GLN N N 15 120.223 0.3 . 1 . . . . . 63 GLN N . 27969 1 264 . 1 . 1 64 64 ALA H H 1 8.015 0.020 . 1 . . . . . 64 ALA H . 27969 1 265 . 1 . 1 64 64 ALA CA C 13 50.629 0.3 . 1 . . . . . 64 ALA CA . 27969 1 266 . 1 . 1 64 64 ALA CB C 13 17.748 0.3 . 1 . . . . . 64 ALA CB . 27969 1 267 . 1 . 1 64 64 ALA N N 15 124.918 0.3 . 1 . . . . . 64 ALA N . 27969 1 268 . 1 . 1 67 67 LEU H H 1 8.719 0.020 . 1 . . . . . 67 LEU H . 27969 1 269 . 1 . 1 67 67 LEU HD11 H 1 1.041 0.020 . 2 . . . . . 67 LEU HD1 . 27969 1 270 . 1 . 1 67 67 LEU HD12 H 1 1.041 0.020 . 2 . . . . . 67 LEU HD1 . 27969 1 271 . 1 . 1 67 67 LEU HD13 H 1 1.041 0.020 . 2 . . . . . 67 LEU HD1 . 27969 1 272 . 1 . 1 67 67 LEU HD21 H 1 0.989 0.020 . 2 . . . . . 67 LEU HD2 . 27969 1 273 . 1 . 1 67 67 LEU HD22 H 1 0.989 0.020 . 2 . . . . . 67 LEU HD2 . 27969 1 274 . 1 . 1 67 67 LEU HD23 H 1 0.989 0.020 . 2 . . . . . 67 LEU HD2 . 27969 1 275 . 1 . 1 67 67 LEU CA C 13 56.787 0.3 . 1 . . . . . 67 LEU CA . 27969 1 276 . 1 . 1 67 67 LEU CD1 C 13 25.654 0.3 . 1 . . . . . 67 LEU CD1 . 27969 1 277 . 1 . 1 67 67 LEU CD2 C 13 23.836 0.3 . 1 . . . . . 67 LEU CD2 . 27969 1 278 . 1 . 1 67 67 LEU N N 15 121.459 0.3 . 1 . . . . . 67 LEU N . 27969 1 279 . 1 . 1 70 70 LEU H H 1 8.173 0.020 . 1 . . . . . 70 LEU H . 27969 1 280 . 1 . 1 70 70 LEU HD11 H 1 1.023 0.020 . 2 . . . . . 70 LEU HD1 . 27969 1 281 . 1 . 1 70 70 LEU HD12 H 1 1.023 0.020 . 2 . . . . . 70 LEU HD1 . 27969 1 282 . 1 . 1 70 70 LEU HD13 H 1 1.023 0.020 . 2 . . . . . 70 LEU HD1 . 27969 1 283 . 1 . 1 70 70 LEU HD21 H 1 0.655 0.020 . 2 . . . . . 70 LEU HD2 . 27969 1 284 . 1 . 1 70 70 LEU HD22 H 1 0.655 0.020 . 2 . . . . . 70 LEU HD2 . 27969 1 285 . 1 . 1 70 70 LEU HD23 H 1 0.655 0.020 . 2 . . . . . 70 LEU HD2 . 27969 1 286 . 1 . 1 70 70 LEU C C 13 176.106 0.3 . 1 . . . . . 70 LEU C . 27969 1 287 . 1 . 1 70 70 LEU CA C 13 54.960 0.3 . 1 . . . . . 70 LEU CA . 27969 1 288 . 1 . 1 70 70 LEU CB C 13 40.147 0.3 . 1 . . . . . 70 LEU CB . 27969 1 289 . 1 . 1 70 70 LEU CD1 C 13 28.051 0.3 . 1 . . . . . 70 LEU CD1 . 27969 1 290 . 1 . 1 70 70 LEU CD2 C 13 24.482 0.3 . 1 . . . . . 70 LEU CD2 . 27969 1 291 . 1 . 1 70 70 LEU N N 15 119.662 0.3 . 1 . . . . . 70 LEU N . 27969 1 292 . 1 . 1 71 71 GLN H H 1 7.839 0.020 . 1 . . . . . 71 GLN H . 27969 1 293 . 1 . 1 71 71 GLN C C 13 173.553 0.3 . 1 . . . . . 71 GLN C . 27969 1 294 . 1 . 1 71 71 GLN CA C 13 56.406 0.3 . 1 . . . . . 71 GLN CA . 27969 1 295 . 1 . 1 71 71 GLN CB C 13 28.884 0.3 . 1 . . . . . 71 GLN CB . 27969 1 296 . 1 . 1 71 71 GLN N N 15 121.706 0.3 . 1 . . . . . 71 GLN N . 27969 1 297 . 1 . 1 72 72 CYS H H 1 7.951 0.020 . 1 . . . . . 72 CYS H . 27969 1 298 . 1 . 1 72 72 CYS C C 13 174.063 0.3 . 1 . . . . . 72 CYS C . 27969 1 299 . 1 . 1 72 72 CYS CA C 13 54.731 0.3 . 1 . . . . . 72 CYS CA . 27969 1 300 . 1 . 1 72 72 CYS CB C 13 40.488 0.3 . 1 . . . . . 72 CYS CB . 27969 1 301 . 1 . 1 72 72 CYS N N 15 113.300 0.3 . 1 . . . . . 72 CYS N . 27969 1 302 . 1 . 1 73 73 LEU H H 1 6.646 0.020 . 1 . . . . . 73 LEU H . 27969 1 303 . 1 . 1 73 73 LEU HD11 H 1 0.955 0.020 . 2 . . . . . 73 LEU HD1 . 27969 1 304 . 1 . 1 73 73 LEU HD12 H 1 0.955 0.020 . 2 . . . . . 73 LEU HD1 . 27969 1 305 . 1 . 1 73 73 LEU HD13 H 1 0.955 0.020 . 2 . . . . . 73 LEU HD1 . 27969 1 306 . 1 . 1 73 73 LEU HD21 H 1 0.907 0.020 . 2 . . . . . 73 LEU HD2 . 27969 1 307 . 1 . 1 73 73 LEU HD22 H 1 0.907 0.020 . 2 . . . . . 73 LEU HD2 . 27969 1 308 . 1 . 1 73 73 LEU HD23 H 1 0.907 0.020 . 2 . . . . . 73 LEU HD2 . 27969 1 309 . 1 . 1 73 73 LEU C C 13 175.155 0.3 . 1 . . . . . 73 LEU C . 27969 1 310 . 1 . 1 73 73 LEU CA C 13 55.635 0.3 . 1 . . . . . 73 LEU CA . 27969 1 311 . 1 . 1 73 73 LEU CB C 13 38.386 0.3 . 1 . . . . . 73 LEU CB . 27969 1 312 . 1 . 1 73 73 LEU CD1 C 13 24.620 0.3 . 1 . . . . . 73 LEU CD1 . 27969 1 313 . 1 . 1 73 73 LEU CD2 C 13 24.544 0.3 . 1 . . . . . 73 LEU CD2 . 27969 1 314 . 1 . 1 73 73 LEU N N 15 123.847 0.3 . 1 . . . . . 73 LEU N . 27969 1 315 . 1 . 1 74 74 GLU H H 1 7.465 0.020 . 1 . . . . . 74 GLU H . 27969 1 316 . 1 . 1 74 74 GLU C C 13 176.916 0.3 . 1 . . . . . 74 GLU C . 27969 1 317 . 1 . 1 74 74 GLU CA C 13 57.185 0.3 . 1 . . . . . 74 GLU CA . 27969 1 318 . 1 . 1 74 74 GLU CB C 13 28.573 0.3 . 1 . . . . . 74 GLU CB . 27969 1 319 . 1 . 1 74 74 GLU N N 15 120.369 0.3 . 1 . . . . . 74 GLU N . 27969 1 320 . 1 . 1 75 75 ASP H H 1 8.428 0.020 . 1 . . . . . 75 ASP H . 27969 1 321 . 1 . 1 75 75 ASP C C 13 175.112 0.3 . 1 . . . . . 75 ASP C . 27969 1 322 . 1 . 1 75 75 ASP CA C 13 55.082 0.3 . 1 . . . . . 75 ASP CA . 27969 1 323 . 1 . 1 75 75 ASP CB C 13 40.099 0.3 . 1 . . . . . 75 ASP CB . 27969 1 324 . 1 . 1 75 75 ASP N N 15 117.382 0.3 . 1 . . . . . 75 ASP N . 27969 1 325 . 1 . 1 76 76 GLU H H 1 7.486 0.020 . 1 . . . . . 76 GLU H . 27969 1 326 . 1 . 1 76 76 GLU C C 13 173.412 0.3 . 1 . . . . . 76 GLU C . 27969 1 327 . 1 . 1 76 76 GLU CA C 13 52.950 0.3 . 1 . . . . . 76 GLU CA . 27969 1 328 . 1 . 1 76 76 GLU CB C 13 30.724 0.3 . 1 . . . . . 76 GLU CB . 27969 1 329 . 1 . 1 76 76 GLU N N 15 117.678 0.3 . 1 . . . . . 76 GLU N . 27969 1 330 . 1 . 1 77 77 LEU H H 1 7.614 0.020 . 1 . . . . . 77 LEU H . 27969 1 331 . 1 . 1 77 77 LEU HD11 H 1 0.921 0.020 . 2 . . . . . 77 LEU HD1 . 27969 1 332 . 1 . 1 77 77 LEU HD12 H 1 0.921 0.020 . 2 . . . . . 77 LEU HD1 . 27969 1 333 . 1 . 1 77 77 LEU HD13 H 1 0.921 0.020 . 2 . . . . . 77 LEU HD1 . 27969 1 334 . 1 . 1 77 77 LEU HD21 H 1 0.800 0.020 . 2 . . . . . 77 LEU HD2 . 27969 1 335 . 1 . 1 77 77 LEU HD22 H 1 0.800 0.020 . 2 . . . . . 77 LEU HD2 . 27969 1 336 . 1 . 1 77 77 LEU HD23 H 1 0.800 0.020 . 2 . . . . . 77 LEU HD2 . 27969 1 337 . 1 . 1 77 77 LEU C C 13 176.387 0.3 . 1 . . . . . 77 LEU C . 27969 1 338 . 1 . 1 77 77 LEU CA C 13 55.544 0.3 . 1 . . . . . 77 LEU CA . 27969 1 339 . 1 . 1 77 77 LEU CB C 13 39.087 0.3 . 1 . . . . . 77 LEU CB . 27969 1 340 . 1 . 1 77 77 LEU CD1 C 13 24.201 0.3 . 1 . . . . . 77 LEU CD1 . 27969 1 341 . 1 . 1 77 77 LEU CD2 C 13 27.232 0.3 . 1 . . . . . 77 LEU CD2 . 27969 1 342 . 1 . 1 77 77 LEU N N 15 119.347 0.3 . 1 . . . . . 77 LEU N . 27969 1 343 . 1 . 1 78 78 GLY H H 1 8.655 0.020 . 1 . . . . . 78 GLY H . 27969 1 344 . 1 . 1 78 78 GLY CA C 13 45.619 0.3 . 1 . . . . . 78 GLY CA . 27969 1 345 . 1 . 1 78 78 GLY N N 15 108.730 0.3 . 1 . . . . . 78 GLY N . 27969 1 346 . 1 . 1 79 79 PRO C C 13 175.534 0.3 . 1 . . . . . 79 PRO C . 27969 1 347 . 1 . 1 79 79 PRO CA C 13 62.806 0.3 . 1 . . . . . 79 PRO CA . 27969 1 348 . 1 . 1 79 79 PRO CB C 13 30.340 0.3 . 1 . . . . . 79 PRO CB . 27969 1 349 . 1 . 1 80 80 LEU H H 1 7.468 0.020 . 1 . . . . . 80 LEU H . 27969 1 350 . 1 . 1 80 80 LEU HD11 H 1 0.765 0.020 . 2 . . . . . 80 LEU HD1 . 27969 1 351 . 1 . 1 80 80 LEU HD12 H 1 0.765 0.020 . 2 . . . . . 80 LEU HD1 . 27969 1 352 . 1 . 1 80 80 LEU HD13 H 1 0.765 0.020 . 2 . . . . . 80 LEU HD1 . 27969 1 353 . 1 . 1 80 80 LEU HD21 H 1 0.575 0.020 . 2 . . . . . 80 LEU HD2 . 27969 1 354 . 1 . 1 80 80 LEU HD22 H 1 0.575 0.020 . 2 . . . . . 80 LEU HD2 . 27969 1 355 . 1 . 1 80 80 LEU HD23 H 1 0.575 0.020 . 2 . . . . . 80 LEU HD2 . 27969 1 356 . 1 . 1 80 80 LEU C C 13 174.715 0.3 . 1 . . . . . 80 LEU C . 27969 1 357 . 1 . 1 80 80 LEU CA C 13 55.844 0.3 . 1 . . . . . 80 LEU CA . 27969 1 358 . 1 . 1 80 80 LEU CB C 13 40.611 0.3 . 1 . . . . . 80 LEU CB . 27969 1 359 . 1 . 1 80 80 LEU CD1 C 13 25.507 0.3 . 1 . . . . . 80 LEU CD1 . 27969 1 360 . 1 . 1 80 80 LEU CD2 C 13 24.293 0.3 . 1 . . . . . 80 LEU CD2 . 27969 1 361 . 1 . 1 80 80 LEU N N 15 117.781 0.3 . 1 . . . . . 80 LEU N . 27969 1 362 . 1 . 1 81 81 ARG H H 1 8.150 0.020 . 1 . . . . . 81 ARG H . 27969 1 363 . 1 . 1 81 81 ARG C C 13 174.767 0.3 . 1 . . . . . 81 ARG C . 27969 1 364 . 1 . 1 81 81 ARG CA C 13 56.590 0.3 . 1 . . . . . 81 ARG CA . 27969 1 365 . 1 . 1 81 81 ARG CB C 13 27.483 0.3 . 1 . . . . . 81 ARG CB . 27969 1 366 . 1 . 1 81 81 ARG N N 15 119.706 0.3 . 1 . . . . . 81 ARG N . 27969 1 367 . 1 . 1 82 82 HIS H H 1 7.575 0.020 . 1 . . . . . 82 HIS H . 27969 1 368 . 1 . 1 82 82 HIS C C 13 175.084 0.3 . 1 . . . . . 82 HIS C . 27969 1 369 . 1 . 1 82 82 HIS CA C 13 56.717 0.3 . 1 . . . . . 82 HIS CA . 27969 1 370 . 1 . 1 82 82 HIS CB C 13 28.573 0.3 . 1 . . . . . 82 HIS CB . 27969 1 371 . 1 . 1 82 82 HIS N N 15 117.045 0.3 . 1 . . . . . 82 HIS N . 27969 1 372 . 1 . 1 83 83 VAL H H 1 7.672 0.020 . 1 . . . . . 83 VAL H . 27969 1 373 . 1 . 1 83 83 VAL HG11 H 1 0.974 0.020 . 2 . . . . . 83 VAL HG1 . 27969 1 374 . 1 . 1 83 83 VAL HG12 H 1 0.974 0.020 . 2 . . . . . 83 VAL HG1 . 27969 1 375 . 1 . 1 83 83 VAL HG13 H 1 0.974 0.020 . 2 . . . . . 83 VAL HG1 . 27969 1 376 . 1 . 1 83 83 VAL HG21 H 1 0.939 0.020 . 2 . . . . . 83 VAL HG2 . 27969 1 377 . 1 . 1 83 83 VAL HG22 H 1 0.939 0.020 . 2 . . . . . 83 VAL HG2 . 27969 1 378 . 1 . 1 83 83 VAL HG23 H 1 0.939 0.020 . 2 . . . . . 83 VAL HG2 . 27969 1 379 . 1 . 1 83 83 VAL C C 13 175.102 0.3 . 1 . . . . . 83 VAL C . 27969 1 380 . 1 . 1 83 83 VAL CA C 13 63.540 0.3 . 1 . . . . . 83 VAL CA . 27969 1 381 . 1 . 1 83 83 VAL CB C 13 29.975 0.3 . 1 . . . . . 83 VAL CB . 27969 1 382 . 1 . 1 83 83 VAL CG1 C 13 22.395 0.3 . 1 . . . . . 83 VAL CG1 . 27969 1 383 . 1 . 1 83 83 VAL CG2 C 13 23.550 0.3 . 1 . . . . . 83 VAL CG2 . 27969 1 384 . 1 . 1 83 83 VAL N N 15 117.506 0.3 . 1 . . . . . 83 VAL N . 27969 1 385 . 1 . 1 84 84 LEU H H 1 8.002 0.020 . 1 . . . . . 84 LEU H . 27969 1 386 . 1 . 1 84 84 LEU HD11 H 1 1.022 0.020 . 2 . . . . . 84 LEU HD1 . 27969 1 387 . 1 . 1 84 84 LEU HD12 H 1 1.022 0.020 . 2 . . . . . 84 LEU HD1 . 27969 1 388 . 1 . 1 84 84 LEU HD13 H 1 1.022 0.020 . 2 . . . . . 84 LEU HD1 . 27969 1 389 . 1 . 1 84 84 LEU HD21 H 1 0.880 0.020 . 2 . . . . . 84 LEU HD2 . 27969 1 390 . 1 . 1 84 84 LEU HD22 H 1 0.880 0.020 . 2 . . . . . 84 LEU HD2 . 27969 1 391 . 1 . 1 84 84 LEU HD23 H 1 0.880 0.020 . 2 . . . . . 84 LEU HD2 . 27969 1 392 . 1 . 1 84 84 LEU CA C 13 55.420 0.3 . 1 . . . . . 84 LEU CA . 27969 1 393 . 1 . 1 84 84 LEU CB C 13 39.865 0.3 . 1 . . . . . 84 LEU CB . 27969 1 394 . 1 . 1 84 84 LEU CD1 C 13 24.122 0.3 . 1 . . . . . 84 LEU CD1 . 27969 1 395 . 1 . 1 84 84 LEU CD2 C 13 26.987 0.3 . 1 . . . . . 84 LEU CD2 . 27969 1 396 . 1 . 1 84 84 LEU N N 15 121.302 0.3 . 1 . . . . . 84 LEU N . 27969 1 397 . 1 . 1 86 86 LEU HD11 H 1 0.852 0.020 . 2 . . . . . 86 LEU HD1 . 27969 1 398 . 1 . 1 86 86 LEU HD12 H 1 0.852 0.020 . 2 . . . . . 86 LEU HD1 . 27969 1 399 . 1 . 1 86 86 LEU HD13 H 1 0.852 0.020 . 2 . . . . . 86 LEU HD1 . 27969 1 400 . 1 . 1 86 86 LEU HD21 H 1 0.893 0.020 . 2 . . . . . 86 LEU HD2 . 27969 1 401 . 1 . 1 86 86 LEU HD22 H 1 0.893 0.020 . 2 . . . . . 86 LEU HD2 . 27969 1 402 . 1 . 1 86 86 LEU HD23 H 1 0.893 0.020 . 2 . . . . . 86 LEU HD2 . 27969 1 403 . 1 . 1 86 86 LEU CD1 C 13 25.115 0.3 . 1 . . . . . 86 LEU CD1 . 27969 1 404 . 1 . 1 86 86 LEU CD2 C 13 24.660 0.3 . 1 . . . . . 86 LEU CD2 . 27969 1 405 . 1 . 1 94 94 LEU HD11 H 1 0.882 0.020 . 2 . . . . . 94 LEU HD1 . 27969 1 406 . 1 . 1 94 94 LEU HD12 H 1 0.882 0.020 . 2 . . . . . 94 LEU HD1 . 27969 1 407 . 1 . 1 94 94 LEU HD13 H 1 0.882 0.020 . 2 . . . . . 94 LEU HD1 . 27969 1 408 . 1 . 1 94 94 LEU HD21 H 1 0.832 0.020 . 2 . . . . . 94 LEU HD2 . 27969 1 409 . 1 . 1 94 94 LEU HD22 H 1 0.832 0.020 . 2 . . . . . 94 LEU HD2 . 27969 1 410 . 1 . 1 94 94 LEU HD23 H 1 0.832 0.020 . 2 . . . . . 94 LEU HD2 . 27969 1 411 . 1 . 1 94 94 LEU CD1 C 13 24.809 0.3 . 1 . . . . . 94 LEU CD1 . 27969 1 412 . 1 . 1 94 94 LEU CD2 C 13 23.839 0.3 . 1 . . . . . 94 LEU CD2 . 27969 1 413 . 1 . 1 95 95 GLU C C 13 174.169 0.3 . 1 . . . . . 95 GLU C . 27969 1 414 . 1 . 1 95 95 GLU CA C 13 52.010 0.3 . 1 . . . . . 95 GLU CA . 27969 1 415 . 1 . 1 95 95 GLU CB C 13 27.453 0.3 . 1 . . . . . 95 GLU CB . 27969 1 416 . 1 . 1 96 96 ASP H H 1 8.345 0.020 . 1 . . . . . 96 ASP H . 27969 1 417 . 1 . 1 96 96 ASP C C 13 175.084 0.3 . 1 . . . . . 96 ASP C . 27969 1 418 . 1 . 1 96 96 ASP CA C 13 53.863 0.3 . 1 . . . . . 96 ASP CA . 27969 1 419 . 1 . 1 96 96 ASP CB C 13 41.033 0.3 . 1 . . . . . 96 ASP CB . 27969 1 420 . 1 . 1 96 96 ASP N N 15 122.784 0.3 . 1 . . . . . 96 ASP N . 27969 1 421 . 1 . 1 97 97 ALA H H 1 7.704 0.020 . 1 . . . . . 97 ALA H . 27969 1 422 . 1 . 1 97 97 ALA C C 13 176.018 0.3 . 1 . . . . . 97 ALA C . 27969 1 423 . 1 . 1 97 97 ALA CA C 13 53.290 0.3 . 1 . . . . . 97 ALA CA . 27969 1 424 . 1 . 1 97 97 ALA CB C 13 17.125 0.3 . 1 . . . . . 97 ALA CB . 27969 1 425 . 1 . 1 97 97 ALA N N 15 124.158 0.3 . 1 . . . . . 97 ALA N . 27969 1 426 . 1 . 1 98 98 GLU H H 1 8.261 0.020 . 1 . . . . . 98 GLU H . 27969 1 427 . 1 . 1 98 98 GLU HA H 1 4.611 0.020 . 1 . . . . . 98 GLU HA . 27969 1 428 . 1 . 1 98 98 GLU C C 13 176.335 0.3 . 1 . . . . . 98 GLU C . 27969 1 429 . 1 . 1 98 98 GLU CA C 13 57.153 0.3 . 1 . . . . . 98 GLU CA . 27969 1 430 . 1 . 1 98 98 GLU CB C 13 27.872 0.3 . 1 . . . . . 98 GLU CB . 27969 1 431 . 1 . 1 98 98 GLU N N 15 117.714 0.3 . 1 . . . . . 98 GLU N . 27969 1 432 . 1 . 1 99 99 ASN H H 1 7.997 0.020 . 1 . . . . . 99 ASN H . 27969 1 433 . 1 . 1 99 99 ASN CA C 13 53.745 0.3 . 1 . . . . . 99 ASN CA . 27969 1 434 . 1 . 1 99 99 ASN CB C 13 36.925 0.3 . 1 . . . . . 99 ASN CB . 27969 1 435 . 1 . 1 99 99 ASN N N 15 118.505 0.3 . 1 . . . . . 99 ASN N . 27969 1 436 . 1 . 1 100 100 PHE C C 13 175.947 0.3 . 1 . . . . . 100 PHE C . 27969 1 437 . 1 . 1 100 100 PHE CA C 13 59.381 0.3 . 1 . . . . . 100 PHE CA . 27969 1 438 . 1 . 1 100 100 PHE CB C 13 33.791 0.3 . 1 . . . . . 100 PHE CB . 27969 1 439 . 1 . 1 101 101 ILE H H 1 7.909 0.020 . 1 . . . . . 101 ILE H . 27969 1 440 . 1 . 1 101 101 ILE HA H 1 4.611 0.020 . 1 . . . . . 101 ILE HA . 27969 1 441 . 1 . 1 101 101 ILE HD11 H 1 0.744 0.020 . 1 . . . . . 101 ILE HD1 . 27969 1 442 . 1 . 1 101 101 ILE HD12 H 1 0.744 0.020 . 1 . . . . . 101 ILE HD1 . 27969 1 443 . 1 . 1 101 101 ILE HD13 H 1 0.744 0.020 . 1 . . . . . 101 ILE HD1 . 27969 1 444 . 1 . 1 101 101 ILE C C 13 175.120 0.3 . 1 . . . . . 101 ILE C . 27969 1 445 . 1 . 1 101 101 ILE CA C 13 60.224 0.3 . 1 . . . . . 101 ILE CA . 27969 1 446 . 1 . 1 101 101 ILE CB C 13 38.386 0.3 . 1 . . . . . 101 ILE CB . 27969 1 447 . 1 . 1 101 101 ILE CD1 C 13 14.993 0.3 . 1 . . . . . 101 ILE CD1 . 27969 1 448 . 1 . 1 101 101 ILE N N 15 117.382 0.3 . 1 . . . . . 101 ILE N . 27969 1 449 . 1 . 1 102 102 SER H H 1 8.358 0.020 . 1 . . . . . 102 SER H . 27969 1 450 . 1 . 1 102 102 SER C C 13 173.570 0.3 . 1 . . . . . 102 SER C . 27969 1 451 . 1 . 1 102 102 SER CA C 13 59.577 0.3 . 1 . . . . . 102 SER CA . 27969 1 452 . 1 . 1 102 102 SER CB C 13 61.204 0.3 . 1 . . . . . 102 SER CB . 27969 1 453 . 1 . 1 102 102 SER N N 15 116.068 0.3 . 1 . . . . . 102 SER N . 27969 1 454 . 1 . 1 103 103 ASN H H 1 7.927 0.020 . 1 . . . . . 103 ASN H . 27969 1 455 . 1 . 1 103 103 ASN C C 13 176.088 0.3 . 1 . . . . . 103 ASN C . 27969 1 456 . 1 . 1 103 103 ASN CA C 13 53.999 0.3 . 1 . . . . . 103 ASN CA . 27969 1 457 . 1 . 1 103 103 ASN CB C 13 36.750 0.3 . 1 . . . . . 103 ASN CB . 27969 1 458 . 1 . 1 103 103 ASN N N 15 119.561 0.3 . 1 . . . . . 103 ASN N . 27969 1 459 . 1 . 1 104 104 ILE H H 1 7.794 0.020 . 1 . . . . . 104 ILE H . 27969 1 460 . 1 . 1 104 104 ILE HD11 H 1 0.711 0.020 . 1 . . . . . 104 ILE HD1 . 27969 1 461 . 1 . 1 104 104 ILE HD12 H 1 0.711 0.020 . 1 . . . . . 104 ILE HD1 . 27969 1 462 . 1 . 1 104 104 ILE HD13 H 1 0.711 0.020 . 1 . . . . . 104 ILE HD1 . 27969 1 463 . 1 . 1 104 104 ILE C C 13 174.310 0.3 . 1 . . . . . 104 ILE C . 27969 1 464 . 1 . 1 104 104 ILE CA C 13 63.142 0.3 . 1 . . . . . 104 ILE CA . 27969 1 465 . 1 . 1 104 104 ILE CB C 13 36.109 0.3 . 1 . . . . . 104 ILE CB . 27969 1 466 . 1 . 1 104 104 ILE CD1 C 13 13.641 0.3 . 1 . . . . . 104 ILE CD1 . 27969 1 467 . 1 . 1 104 104 ILE N N 15 122.592 0.3 . 1 . . . . . 104 ILE N . 27969 1 468 . 1 . 1 105 105 ARG H H 1 8.376 0.020 . 1 . . . . . 105 ARG H . 27969 1 469 . 1 . 1 105 105 ARG C C 13 175.120 0.3 . 1 . . . . . 105 ARG C . 27969 1 470 . 1 . 1 105 105 ARG CA C 13 58.750 0.3 . 1 . . . . . 105 ARG CA . 27969 1 471 . 1 . 1 105 105 ARG CB C 13 28.573 0.3 . 1 . . . . . 105 ARG CB . 27969 1 472 . 1 . 1 105 105 ARG N N 15 120.381 0.3 . 1 . . . . . 105 ARG N . 27969 1 473 . 1 . 1 106 106 VAL H H 1 8.076 0.020 . 1 . . . . . 106 VAL H . 27969 1 474 . 1 . 1 106 106 VAL HG11 H 1 0.948 0.020 . 2 . . . . . 106 VAL HG1 . 27969 1 475 . 1 . 1 106 106 VAL HG12 H 1 0.948 0.020 . 2 . . . . . 106 VAL HG1 . 27969 1 476 . 1 . 1 106 106 VAL HG13 H 1 0.948 0.020 . 2 . . . . . 106 VAL HG1 . 27969 1 477 . 1 . 1 106 106 VAL HG21 H 1 1.101 0.020 . 2 . . . . . 106 VAL HG2 . 27969 1 478 . 1 . 1 106 106 VAL HG22 H 1 1.101 0.020 . 2 . . . . . 106 VAL HG2 . 27969 1 479 . 1 . 1 106 106 VAL HG23 H 1 1.101 0.020 . 2 . . . . . 106 VAL HG2 . 27969 1 480 . 1 . 1 106 106 VAL C C 13 175.789 0.3 . 1 . . . . . 106 VAL C . 27969 1 481 . 1 . 1 106 106 VAL CA C 13 63.937 0.3 . 1 . . . . . 106 VAL CA . 27969 1 482 . 1 . 1 106 106 VAL CB C 13 30.442 0.3 . 1 . . . . . 106 VAL CB . 27969 1 483 . 1 . 1 106 106 VAL CG1 C 13 21.065 0.3 . 1 . . . . . 106 VAL CG1 . 27969 1 484 . 1 . 1 106 106 VAL CG2 C 13 22.444 0.3 . 1 . . . . . 106 VAL CG2 . 27969 1 485 . 1 . 1 106 106 VAL N N 15 116.237 0.3 . 1 . . . . . 106 VAL N . 27969 1 486 . 1 . 1 107 107 THR H H 1 7.557 0.020 . 1 . . . . . 107 THR H . 27969 1 487 . 1 . 1 107 107 THR C C 13 173.077 0.3 . 1 . . . . . 107 THR C . 27969 1 488 . 1 . 1 107 107 THR CA C 13 65.012 0.3 . 1 . . . . . 107 THR CA . 27969 1 489 . 1 . 1 107 107 THR CB C 13 66.889 0.3 . 1 . . . . . 107 THR CB . 27969 1 490 . 1 . 1 107 107 THR N N 15 117.932 0.3 . 1 . . . . . 107 THR N . 27969 1 491 . 1 . 1 108 108 VAL H H 1 8.560 0.020 . 1 . . . . . 108 VAL H . 27969 1 492 . 1 . 1 108 108 VAL HG11 H 1 0.863 0.020 . 2 . . . . . 108 VAL HG1 . 27969 1 493 . 1 . 1 108 108 VAL HG12 H 1 0.863 0.020 . 2 . . . . . 108 VAL HG1 . 27969 1 494 . 1 . 1 108 108 VAL HG13 H 1 0.863 0.020 . 2 . . . . . 108 VAL HG1 . 27969 1 495 . 1 . 1 108 108 VAL HG21 H 1 0.970 0.020 . 2 . . . . . 108 VAL HG2 . 27969 1 496 . 1 . 1 108 108 VAL HG22 H 1 0.970 0.020 . 2 . . . . . 108 VAL HG2 . 27969 1 497 . 1 . 1 108 108 VAL HG23 H 1 0.970 0.020 . 2 . . . . . 108 VAL HG2 . 27969 1 498 . 1 . 1 108 108 VAL C C 13 175.084 0.3 . 1 . . . . . 108 VAL C . 27969 1 499 . 1 . 1 108 108 VAL CA C 13 65.484 0.3 . 1 . . . . . 108 VAL CA . 27969 1 500 . 1 . 1 108 108 VAL CB C 13 29.819 0.3 . 1 . . . . . 108 VAL CB . 27969 1 501 . 1 . 1 108 108 VAL CG1 C 13 22.689 0.3 . 1 . . . . . 108 VAL CG1 . 27969 1 502 . 1 . 1 108 108 VAL CG2 C 13 24.996 0.3 . 1 . . . . . 108 VAL CG2 . 27969 1 503 . 1 . 1 108 108 VAL N N 15 120.953 0.3 . 1 . . . . . 108 VAL N . 27969 1 504 . 1 . 1 109 109 VAL H H 1 8.222 0.020 . 1 . . . . . 109 VAL H . 27969 1 505 . 1 . 1 109 109 VAL HG11 H 1 0.893 0.020 . 2 . . . . . 109 VAL HG1 . 27969 1 506 . 1 . 1 109 109 VAL HG12 H 1 0.893 0.020 . 2 . . . . . 109 VAL HG1 . 27969 1 507 . 1 . 1 109 109 VAL HG13 H 1 0.893 0.020 . 2 . . . . . 109 VAL HG1 . 27969 1 508 . 1 . 1 109 109 VAL HG21 H 1 1.041 0.020 . 2 . . . . . 109 VAL HG2 . 27969 1 509 . 1 . 1 109 109 VAL HG22 H 1 1.041 0.020 . 2 . . . . . 109 VAL HG2 . 27969 1 510 . 1 . 1 109 109 VAL HG23 H 1 1.041 0.020 . 2 . . . . . 109 VAL HG2 . 27969 1 511 . 1 . 1 109 109 VAL C C 13 176.167 0.3 . 1 . . . . . 109 VAL C . 27969 1 512 . 1 . 1 109 109 VAL CA C 13 64.684 0.3 . 1 . . . . . 109 VAL CA . 27969 1 513 . 1 . 1 109 109 VAL CB C 13 29.897 0.3 . 1 . . . . . 109 VAL CB . 27969 1 514 . 1 . 1 109 109 VAL CG1 C 13 21.305 0.3 . 1 . . . . . 109 VAL CG1 . 27969 1 515 . 1 . 1 109 109 VAL CG2 C 13 23.599 0.3 . 1 . . . . . 109 VAL CG2 . 27969 1 516 . 1 . 1 109 109 VAL N N 15 120.089 0.3 . 1 . . . . . 109 VAL N . 27969 1 517 . 1 . 1 110 110 LYS H H 1 7.509 0.020 . 1 . . . . . 110 LYS H . 27969 1 518 . 1 . 1 110 110 LYS C C 13 176.194 0.3 . 1 . . . . . 110 LYS C . 27969 1 519 . 1 . 1 110 110 LYS CA C 13 56.713 0.3 . 1 . . . . . 110 LYS CA . 27969 1 520 . 1 . 1 110 110 LYS CB C 13 30.500 0.3 . 1 . . . . . 110 LYS CB . 27969 1 521 . 1 . 1 110 110 LYS N N 15 119.460 0.3 . 1 . . . . . 110 LYS N . 27969 1 522 . 1 . 1 111 111 LEU H H 1 7.544 0.020 . 1 . . . . . 111 LEU H . 27969 1 523 . 1 . 1 111 111 LEU HD11 H 1 0.767 0.020 . 2 . . . . . 111 LEU HD1 . 27969 1 524 . 1 . 1 111 111 LEU HD12 H 1 0.767 0.020 . 2 . . . . . 111 LEU HD1 . 27969 1 525 . 1 . 1 111 111 LEU HD13 H 1 0.767 0.020 . 2 . . . . . 111 LEU HD1 . 27969 1 526 . 1 . 1 111 111 LEU HD21 H 1 1.158 0.020 . 2 . . . . . 111 LEU HD2 . 27969 1 527 . 1 . 1 111 111 LEU HD22 H 1 1.158 0.020 . 2 . . . . . 111 LEU HD2 . 27969 1 528 . 1 . 1 111 111 LEU HD23 H 1 1.158 0.020 . 2 . . . . . 111 LEU HD2 . 27969 1 529 . 1 . 1 111 111 LEU C C 13 175.190 0.3 . 1 . . . . . 111 LEU C . 27969 1 530 . 1 . 1 111 111 LEU CA C 13 54.403 0.3 . 1 . . . . . 111 LEU CA . 27969 1 531 . 1 . 1 111 111 LEU CB C 13 43.370 0.3 . 1 . . . . . 111 LEU CB . 27969 1 532 . 1 . 1 111 111 LEU CD1 C 13 26.544 0.3 . 1 . . . . . 111 LEU CD1 . 27969 1 533 . 1 . 1 111 111 LEU CD2 C 13 24.177 0.3 . 1 . . . . . 111 LEU CD2 . 27969 1 534 . 1 . 1 111 111 LEU N N 15 119.055 0.3 . 1 . . . . . 111 LEU N . 27969 1 535 . 1 . 1 112 112 LYS H H 1 8.292 0.020 . 1 . . . . . 112 LYS H . 27969 1 536 . 1 . 1 112 112 LYS C C 13 174.398 0.3 . 1 . . . . . 112 LYS C . 27969 1 537 . 1 . 1 112 112 LYS CA C 13 55.473 0.3 . 1 . . . . . 112 LYS CA . 27969 1 538 . 1 . 1 112 112 LYS CB C 13 30.930 0.3 . 1 . . . . . 112 LYS CB . 27969 1 539 . 1 . 1 112 112 LYS N N 15 115.742 0.3 . 1 . . . . . 112 LYS N . 27969 1 540 . 1 . 1 113 113 GLY H H 1 7.611 0.020 . 1 . . . . . 113 GLY H . 27969 1 541 . 1 . 1 113 113 GLY C C 13 171.651 0.3 . 1 . . . . . 113 GLY C . 27969 1 542 . 1 . 1 113 113 GLY CA C 13 42.753 0.3 . 1 . . . . . 113 GLY CA . 27969 1 543 . 1 . 1 113 113 GLY N N 15 108.508 0.3 . 1 . . . . . 113 GLY N . 27969 1 544 . 1 . 1 114 114 SER H H 1 8.310 0.020 . 1 . . . . . 114 SER H . 27969 1 545 . 1 . 1 114 114 SER C C 13 171.689 0.3 . 1 . . . . . 114 SER C . 27969 1 546 . 1 . 1 114 114 SER CA C 13 56.273 0.3 . 1 . . . . . 114 SER CA . 27969 1 547 . 1 . 1 114 114 SER CB C 13 62.695 0.3 . 1 . . . . . 114 SER CB . 27969 1 548 . 1 . 1 114 114 SER N N 15 114.810 0.3 . 1 . . . . . 114 SER N . 27969 1 549 . 1 . 1 115 115 ASP H H 1 8.323 0.020 . 1 . . . . . 115 ASP H . 27969 1 550 . 1 . 1 115 115 ASP C C 13 173.130 0.3 . 1 . . . . . 115 ASP C . 27969 1 551 . 1 . 1 115 115 ASP CA C 13 51.976 0.3 . 1 . . . . . 115 ASP CA . 27969 1 552 . 1 . 1 115 115 ASP CB C 13 39.476 0.3 . 1 . . . . . 115 ASP CB . 27969 1 553 . 1 . 1 115 115 ASP N N 15 121.874 0.3 . 1 . . . . . 115 ASP N . 27969 1 554 . 1 . 1 116 116 ASN H H 1 8.195 0.020 . 1 . . . . . 116 ASN H . 27969 1 555 . 1 . 1 116 116 ASN C C 13 172.637 0.3 . 1 . . . . . 116 ASN C . 27969 1 556 . 1 . 1 116 116 ASN CA C 13 51.180 0.3 . 1 . . . . . 116 ASN CA . 27969 1 557 . 1 . 1 116 116 ASN CB C 13 37.763 0.3 . 1 . . . . . 116 ASN CB . 27969 1 558 . 1 . 1 116 116 ASN N N 15 120.729 0.3 . 1 . . . . . 116 ASN N . 27969 1 559 . 1 . 1 117 117 THR H H 1 8.149 0.020 . 1 . . . . . 117 THR H . 27969 1 560 . 1 . 1 117 117 THR C C 13 171.633 0.3 . 1 . . . . . 117 THR C . 27969 1 561 . 1 . 1 117 117 THR CA C 13 60.027 0.3 . 1 . . . . . 117 THR CA . 27969 1 562 . 1 . 1 117 117 THR CB C 13 68.576 0.3 . 1 . . . . . 117 THR CB . 27969 1 563 . 1 . 1 117 117 THR N N 15 113.402 0.3 . 1 . . . . . 117 THR N . 27969 1 564 . 1 . 1 118 118 PHE H H 1 7.843 0.020 . 1 . . . . . 118 PHE H . 27969 1 565 . 1 . 1 118 118 PHE C C 13 171.440 0.3 . 1 . . . . . 118 PHE C . 27969 1 566 . 1 . 1 118 118 PHE CA C 13 55.480 0.3 . 1 . . . . . 118 PHE CA . 27969 1 567 . 1 . 1 118 118 PHE CB C 13 38.697 0.3 . 1 . . . . . 118 PHE CB . 27969 1 568 . 1 . 1 118 118 PHE N N 15 124.266 0.3 . 1 . . . . . 118 PHE N . 27969 1 569 . 1 . 1 119 119 GLU H H 1 7.808 0.020 . 1 . . . . . 119 GLU H . 27969 1 570 . 1 . 1 119 119 GLU C C 13 171.845 0.3 . 1 . . . . . 119 GLU C . 27969 1 571 . 1 . 1 119 119 GLU CA C 13 52.482 0.3 . 1 . . . . . 119 GLU CA . 27969 1 572 . 1 . 1 119 119 GLU CB C 13 29.430 0.3 . 1 . . . . . 119 GLU CB . 27969 1 573 . 1 . 1 119 119 GLU N N 15 125.524 0.3 . 1 . . . . . 119 GLU N . 27969 1 574 . 1 . 1 120 120 CYS H H 1 8.750 0.020 . 1 . . . . . 120 CYS H . 27969 1 575 . 1 . 1 120 120 CYS CA C 13 56.019 0.3 . 1 . . . . . 120 CYS CA . 27969 1 576 . 1 . 1 120 120 CYS CB C 13 45.473 0.3 . 1 . . . . . 120 CYS CB . 27969 1 577 . 1 . 1 120 120 CYS N N 15 124.817 0.3 . 1 . . . . . 120 CYS N . 27969 1 578 . 1 . 1 121 121 GLN C C 13 172.443 0.3 . 1 . . . . . 121 GLN C . 27969 1 579 . 1 . 1 121 121 GLN CA C 13 51.858 0.3 . 1 . . . . . 121 GLN CA . 27969 1 580 . 1 . 1 121 121 GLN CB C 13 27.483 0.3 . 1 . . . . . 121 GLN CB . 27969 1 581 . 1 . 1 122 122 PHE H H 1 8.644 0.020 . 1 . . . . . 122 PHE H . 27969 1 582 . 1 . 1 122 122 PHE C C 13 173.975 0.3 . 1 . . . . . 122 PHE C . 27969 1 583 . 1 . 1 122 122 PHE CA C 13 56.339 0.3 . 1 . . . . . 122 PHE CA . 27969 1 584 . 1 . 1 122 122 PHE CB C 13 39.242 0.3 . 1 . . . . . 122 PHE CB . 27969 1 585 . 1 . 1 122 122 PHE N N 15 124.817 0.3 . 1 . . . . . 122 PHE N . 27969 1 586 . 1 . 1 123 123 ASP H H 1 9.022 0.020 . 1 . . . . . 123 ASP H . 27969 1 587 . 1 . 1 123 123 ASP CA C 13 51.976 0.3 . 1 . . . . . 123 ASP CA . 27969 1 588 . 1 . 1 123 123 ASP CB C 13 41.111 0.3 . 1 . . . . . 123 ASP CB . 27969 1 589 . 1 . 1 123 123 ASP N N 15 122.368 0.3 . 1 . . . . . 123 ASP N . 27969 1 590 . 1 . 1 126 126 SER C C 13 171.105 0.3 . 1 . . . . . 126 SER C . 27969 1 591 . 1 . 1 126 126 SER CA C 13 55.943 0.3 . 1 . . . . . 126 SER CA . 27969 1 592 . 1 . 1 126 126 SER CB C 13 62.606 0.3 . 1 . . . . . 126 SER CB . 27969 1 593 . 1 . 1 127 127 ALA H H 1 8.208 0.020 . 1 . . . . . 127 ALA H . 27969 1 594 . 1 . 1 127 127 ALA CA C 13 48.423 0.3 . 1 . . . . . 127 ALA CA . 27969 1 595 . 1 . 1 127 127 ALA CB C 13 16.757 0.3 . 1 . . . . . 127 ALA CB . 27969 1 596 . 1 . 1 127 127 ALA N N 15 127.332 0.3 . 1 . . . . . 127 ALA N . 27969 1 597 . 1 . 1 129 129 VAL HG11 H 1 0.946 0.020 . 2 . . . . . 129 VAL HG1 . 27969 1 598 . 1 . 1 129 129 VAL HG12 H 1 0.946 0.020 . 2 . . . . . 129 VAL HG1 . 27969 1 599 . 1 . 1 129 129 VAL HG13 H 1 0.946 0.020 . 2 . . . . . 129 VAL HG1 . 27969 1 600 . 1 . 1 129 129 VAL HG21 H 1 0.512 0.020 . 2 . . . . . 129 VAL HG2 . 27969 1 601 . 1 . 1 129 129 VAL HG22 H 1 0.512 0.020 . 2 . . . . . 129 VAL HG2 . 27969 1 602 . 1 . 1 129 129 VAL HG23 H 1 0.512 0.020 . 2 . . . . . 129 VAL HG2 . 27969 1 603 . 1 . 1 129 129 VAL CG1 C 13 19.470 0.3 . 1 . . . . . 129 VAL CG1 . 27969 1 604 . 1 . 1 129 129 VAL CG2 C 13 21.563 0.3 . 1 . . . . . 129 VAL CG2 . 27969 1 605 . 1 . 1 130 130 VAL H H 1 7.033 0.020 . 1 . . . . . 130 VAL H . 27969 1 606 . 1 . 1 130 130 VAL HG11 H 1 0.890 0.020 . 2 . . . . . 130 VAL HG1 . 27969 1 607 . 1 . 1 130 130 VAL HG12 H 1 0.890 0.020 . 2 . . . . . 130 VAL HG1 . 27969 1 608 . 1 . 1 130 130 VAL HG13 H 1 0.890 0.020 . 2 . . . . . 130 VAL HG1 . 27969 1 609 . 1 . 1 130 130 VAL HG21 H 1 0.888 0.020 . 2 . . . . . 130 VAL HG2 . 27969 1 610 . 1 . 1 130 130 VAL HG22 H 1 0.888 0.020 . 2 . . . . . 130 VAL HG2 . 27969 1 611 . 1 . 1 130 130 VAL HG23 H 1 0.888 0.020 . 2 . . . . . 130 VAL HG2 . 27969 1 612 . 1 . 1 130 130 VAL CA C 13 62.512 0.3 . 1 . . . . . 130 VAL CA . 27969 1 613 . 1 . 1 130 130 VAL CB C 13 26.208 0.3 . 1 . . . . . 130 VAL CB . 27969 1 614 . 1 . 1 130 130 VAL CG1 C 13 21.365 0.3 . 1 . . . . . 130 VAL CG1 . 27969 1 615 . 1 . 1 130 130 VAL CG2 C 13 21.881 0.3 . 1 . . . . . 130 VAL CG2 . 27969 1 616 . 1 . 1 130 130 VAL N N 15 120.972 0.3 . 1 . . . . . 130 VAL N . 27969 1 617 . 1 . 1 131 131 ASP H H 1 8.245 0.020 . 1 . . . . . 131 ASP H . 27969 1 618 . 1 . 1 131 131 ASP CA C 13 56.577 0.3 . 1 . . . . . 131 ASP CA . 27969 1 619 . 1 . 1 131 131 ASP CB C 13 40.429 0.3 . 1 . . . . . 131 ASP CB . 27969 1 620 . 1 . 1 131 131 ASP N N 15 118.754 0.3 . 1 . . . . . 131 ASP N . 27969 1 621 . 1 . 1 133 133 LEU HD11 H 1 0.142 0.020 . 2 . . . . . 133 LEU HD1 . 27969 1 622 . 1 . 1 133 133 LEU HD12 H 1 0.142 0.020 . 2 . . . . . 133 LEU HD1 . 27969 1 623 . 1 . 1 133 133 LEU HD13 H 1 0.142 0.020 . 2 . . . . . 133 LEU HD1 . 27969 1 624 . 1 . 1 133 133 LEU HD21 H 1 0.306 0.020 . 2 . . . . . 133 LEU HD2 . 27969 1 625 . 1 . 1 133 133 LEU HD22 H 1 0.306 0.020 . 2 . . . . . 133 LEU HD2 . 27969 1 626 . 1 . 1 133 133 LEU HD23 H 1 0.306 0.020 . 2 . . . . . 133 LEU HD2 . 27969 1 627 . 1 . 1 133 133 LEU CD1 C 13 23.077 0.3 . 1 . . . . . 133 LEU CD1 . 27969 1 628 . 1 . 1 133 133 LEU CD2 C 13 25.227 0.3 . 1 . . . . . 133 LEU CD2 . 27969 1 629 . 1 . 1 135 135 ARG C C 13 175.630 0.3 . 1 . . . . . 135 ARG C . 27969 1 630 . 1 . 1 135 135 ARG CA C 13 55.834 0.3 . 1 . . . . . 135 ARG CA . 27969 1 631 . 1 . 1 135 135 ARG CB C 13 27.441 0.3 . 1 . . . . . 135 ARG CB . 27969 1 632 . 1 . 1 136 136 TRP H H 1 8.054 0.020 . 1 . . . . . 136 TRP H . 27969 1 633 . 1 . 1 136 136 TRP C C 13 171.105 0.3 . 1 . . . . . 136 TRP C . 27969 1 634 . 1 . 1 136 136 TRP CA C 13 56.015 0.3 . 1 . . . . . 136 TRP CA . 27969 1 635 . 1 . 1 136 136 TRP CB C 13 27.171 0.3 . 1 . . . . . 136 TRP CB . 27969 1 636 . 1 . 1 136 136 TRP N N 15 119.752 0.3 . 1 . . . . . 136 TRP N . 27969 1 637 . 1 . 1 137 137 ILE H H 1 8.411 0.020 . 1 . . . . . 137 ILE H . 27969 1 638 . 1 . 1 137 137 ILE HD11 H 1 0.766 0.020 . 1 . . . . . 137 ILE HD1 . 27969 1 639 . 1 . 1 137 137 ILE HD12 H 1 0.766 0.020 . 1 . . . . . 137 ILE HD1 . 27969 1 640 . 1 . 1 137 137 ILE HD13 H 1 0.766 0.020 . 1 . . . . . 137 ILE HD1 . 27969 1 641 . 1 . 1 137 137 ILE C C 13 174.503 0.3 . 1 . . . . . 137 ILE C . 27969 1 642 . 1 . 1 137 137 ILE CA C 13 51.858 0.3 . 1 . . . . . 137 ILE CA . 27969 1 643 . 1 . 1 137 137 ILE CB C 13 45.490 0.3 . 1 . . . . . 137 ILE CB . 27969 1 644 . 1 . 1 137 137 ILE CD1 C 13 9.564 0.3 . 1 . . . . . 137 ILE CD1 . 27969 1 645 . 1 . 1 137 137 ILE N N 15 127.658 0.3 . 1 . . . . . 137 ILE N . 27969 1 646 . 1 . 1 138 138 ALA H H 1 7.658 0.020 . 1 . . . . . 138 ALA H . 27969 1 647 . 1 . 1 138 138 ALA C C 13 178.483 0.3 . 1 . . . . . 138 ALA C . 27969 1 648 . 1 . 1 138 138 ALA CA C 13 52.836 0.3 . 1 . . . . . 138 ALA CA . 27969 1 649 . 1 . 1 138 138 ALA CB C 13 16.112 0.3 . 1 . . . . . 138 ALA CB . 27969 1 650 . 1 . 1 138 138 ALA N N 15 121.922 0.3 . 1 . . . . . 138 ALA N . 27969 1 651 . 1 . 1 139 139 PHE H H 1 7.975 0.020 . 1 . . . . . 139 PHE H . 27969 1 652 . 1 . 1 139 139 PHE CA C 13 58.459 0.3 . 1 . . . . . 139 PHE CA . 27969 1 653 . 1 . 1 139 139 PHE N N 15 119.752 0.3 . 1 . . . . . 139 PHE N . 27969 1 654 . 1 . 1 143 143 ILE HD11 H 1 0.334 0.020 . 1 . . . . . 143 ILE HD1 . 27969 1 655 . 1 . 1 143 143 ILE HD12 H 1 0.334 0.020 . 1 . . . . . 143 ILE HD1 . 27969 1 656 . 1 . 1 143 143 ILE HD13 H 1 0.334 0.020 . 1 . . . . . 143 ILE HD1 . 27969 1 657 . 1 . 1 143 143 ILE CD1 C 13 11.363 0.3 . 1 . . . . . 143 ILE CD1 . 27969 1 658 . 1 . 1 144 144 ILE HD11 H 1 0.764 0.020 . 1 . . . . . 144 ILE HD1 . 27969 1 659 . 1 . 1 144 144 ILE HD12 H 1 0.764 0.020 . 1 . . . . . 144 ILE HD1 . 27969 1 660 . 1 . 1 144 144 ILE HD13 H 1 0.764 0.020 . 1 . . . . . 144 ILE HD1 . 27969 1 661 . 1 . 1 144 144 ILE C C 13 174.448 0.3 . 1 . . . . . 144 ILE C . 27969 1 662 . 1 . 1 144 144 ILE CA C 13 66.621 0.3 . 1 . . . . . 144 ILE CA . 27969 1 663 . 1 . 1 144 144 ILE CD1 C 13 14.110 0.3 . 1 . . . . . 144 ILE CD1 . 27969 1 664 . 1 . 1 145 145 SER H H 1 7.570 0.020 . 1 . . . . . 145 SER H . 27969 1 665 . 1 . 1 145 145 SER C C 13 172.197 0.3 . 1 . . . . . 145 SER C . 27969 1 666 . 1 . 1 145 145 SER N N 15 113.678 0.3 . 1 . . . . . 145 SER N . 27969 1 667 . 1 . 1 146 146 THR H H 1 7.590 0.020 . 1 . . . . . 146 THR H . 27969 1 668 . 1 . 1 146 146 THR C C 13 171.827 0.3 . 1 . . . . . 146 THR C . 27969 1 669 . 1 . 1 146 146 THR CA C 13 59.918 0.3 . 1 . . . . . 146 THR CA . 27969 1 670 . 1 . 1 146 146 THR CB C 13 68.571 0.3 . 1 . . . . . 146 THR CB . 27969 1 671 . 1 . 1 146 146 THR N N 15 113.693 0.3 . 1 . . . . . 146 THR N . 27969 1 672 . 1 . 1 147 147 SER H H 1 7.821 0.020 . 1 . . . . . 147 SER H . 27969 1 673 . 1 . 1 147 147 SER CA C 13 54.905 0.3 . 1 . . . . . 147 SER CA . 27969 1 674 . 1 . 1 147 147 SER CB C 13 61.961 0.3 . 1 . . . . . 147 SER CB . 27969 1 675 . 1 . 1 147 147 SER N N 15 119.718 0.3 . 1 . . . . . 147 SER N . 27969 1 676 . 1 . 1 148 148 PRO C C 13 174.697 0.3 . 1 . . . . . 148 PRO C . 27969 1 677 . 1 . 1 148 148 PRO CA C 13 61.656 0.3 . 1 . . . . . 148 PRO CA . 27969 1 678 . 1 . 1 148 148 PRO CB C 13 30.442 0.3 . 1 . . . . . 148 PRO CB . 27969 1 679 . 1 . 1 149 149 GLN H H 1 8.217 0.020 . 1 . . . . . 149 GLN H . 27969 1 680 . 1 . 1 149 149 GLN CA C 13 53.897 0.3 . 1 . . . . . 149 GLN CA . 27969 1 681 . 1 . 1 149 149 GLN CB C 13 27.716 0.3 . 1 . . . . . 149 GLN CB . 27969 1 682 . 1 . 1 149 149 GLN N N 15 119.448 0.3 . 1 . . . . . 149 GLN N . 27969 1 stop_ save_