data_28061 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28061 _Entry.Title ; Backbone and side-chain chemical shift assignments of a cellular FLICE-inhibitory protein (c-FLIPs) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-01-16 _Entry.Accession_date 2020-01-16 _Entry.Last_release_date 2020-01-16 _Entry.Original_release_date 2020-01-16 _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 _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 Zhiqiang Bai . . . . 28061 2 Bin Liu . . . . 28061 3 Xiaofang Ma . . . . 28061 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28061 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 717 28061 '15N chemical shifts' 179 28061 '1H chemical shifts' 1208 28061 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 . . 2021-01-25 . original BMRB . 28061 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 28061 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32506385 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone and side-chain chemical shift assignments of a cellular FLICE-inhibitory protein (c-FLIPs) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 239 _Citation.Page_last 243 _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 Zhiqiang Bai . . . . 28061 1 2 Bin Liu . . . . 28061 1 3 Xiaofang Ma . . . . 28061 1 4 Kaifeng Hu . . . . 28061 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Apoptosis 28061 1 'NMR Chemical shift assignments' 28061 1 c-FLIPS 28061 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28061 _Assembly.ID 1 _Assembly.Name 'cellular FLICE-inhibitory protein short form' _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 'cellular FLICE-inhibitory protein short form' 1 $c-FLPs A . yes native no no . . . 28061 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_c-FLPs _Entity.Sf_category entity _Entity.Sf_framecode c-FLPs _Entity.Entry_ID 28061 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name c-FLPs _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 ; MGRSDSAEVIHQVEEALDTD EKEMLLFLCRDVAIDVVPPN VRDLLDILRERGKLSVGDLA ELLYRVRRFDLLKRILKMDR KAVETHLLRNPHLVSDYRVL MAEIGEDLDKSDVSSLIGLM KDYMGRGKISKEKSFLDLVV ELEKLNLVAPDQLDLLEKCL KNIHRIDLKTKIQKYKQLEH HHHHH ; _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 185 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 NCBI NP_001338520.1 . . . . . . . . . . . . . . . . 28061 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 . MET . 28061 1 2 . GLY . 28061 1 3 . ARG . 28061 1 4 . SER . 28061 1 5 . ASP . 28061 1 6 . SER . 28061 1 7 . ALA . 28061 1 8 . GLU . 28061 1 9 . VAL . 28061 1 10 . ILE . 28061 1 11 . HIS . 28061 1 12 . GLN . 28061 1 13 . VAL . 28061 1 14 . GLU . 28061 1 15 . GLU . 28061 1 16 . ALA . 28061 1 17 . LEU . 28061 1 18 . ASP . 28061 1 19 . THR . 28061 1 20 . ASP . 28061 1 21 . GLU . 28061 1 22 . LYS . 28061 1 23 . GLU . 28061 1 24 . MET . 28061 1 25 . LEU . 28061 1 26 . LEU . 28061 1 27 . PHE . 28061 1 28 . LEU . 28061 1 29 . CYS . 28061 1 30 . ARG . 28061 1 31 . ASP . 28061 1 32 . VAL . 28061 1 33 . ALA . 28061 1 34 . ILE . 28061 1 35 . ASP . 28061 1 36 . VAL . 28061 1 37 . VAL . 28061 1 38 . PRO . 28061 1 39 . PRO . 28061 1 40 . ASN . 28061 1 41 . VAL . 28061 1 42 . ARG . 28061 1 43 . ASP . 28061 1 44 . LEU . 28061 1 45 . LEU . 28061 1 46 . ASP . 28061 1 47 . ILE . 28061 1 48 . LEU . 28061 1 49 . ARG . 28061 1 50 . GLU . 28061 1 51 . ARG . 28061 1 52 . GLY . 28061 1 53 . LYS . 28061 1 54 . LEU . 28061 1 55 . SER . 28061 1 56 . VAL . 28061 1 57 . GLY . 28061 1 58 . ASP . 28061 1 59 . LEU . 28061 1 60 . ALA . 28061 1 61 . GLU . 28061 1 62 . LEU . 28061 1 63 . LEU . 28061 1 64 . TYR . 28061 1 65 . ARG . 28061 1 66 . VAL . 28061 1 67 . ARG . 28061 1 68 . ARG . 28061 1 69 . PHE . 28061 1 70 . ASP . 28061 1 71 . LEU . 28061 1 72 . LEU . 28061 1 73 . LYS . 28061 1 74 . ARG . 28061 1 75 . ILE . 28061 1 76 . LEU . 28061 1 77 . LYS . 28061 1 78 . MET . 28061 1 79 . ASP . 28061 1 80 . ARG . 28061 1 81 . LYS . 28061 1 82 . ALA . 28061 1 83 . VAL . 28061 1 84 . GLU . 28061 1 85 . THR . 28061 1 86 . HIS . 28061 1 87 . LEU . 28061 1 88 . LEU . 28061 1 89 . ARG . 28061 1 90 . ASN . 28061 1 91 . PRO . 28061 1 92 . HIS . 28061 1 93 . LEU . 28061 1 94 . VAL . 28061 1 95 . SER . 28061 1 96 . ASP . 28061 1 97 . TYR . 28061 1 98 . ARG . 28061 1 99 . VAL . 28061 1 100 . LEU . 28061 1 101 . MET . 28061 1 102 . ALA . 28061 1 103 . GLU . 28061 1 104 . ILE . 28061 1 105 . GLY . 28061 1 106 . GLU . 28061 1 107 . ASP . 28061 1 108 . LEU . 28061 1 109 . ASP . 28061 1 110 . LYS . 28061 1 111 . SER . 28061 1 112 . ASP . 28061 1 113 . VAL . 28061 1 114 . SER . 28061 1 115 . SER . 28061 1 116 . LEU . 28061 1 117 . ILE . 28061 1 118 . GLY . 28061 1 119 . LEU . 28061 1 120 . MET . 28061 1 121 . LYS . 28061 1 122 . ASP . 28061 1 123 . TYR . 28061 1 124 . MET . 28061 1 125 . GLY . 28061 1 126 . ARG . 28061 1 127 . GLY . 28061 1 128 . LYS . 28061 1 129 . ILE . 28061 1 130 . SER . 28061 1 131 . LYS . 28061 1 132 . GLU . 28061 1 133 . LYS . 28061 1 134 . SER . 28061 1 135 . PHE . 28061 1 136 . LEU . 28061 1 137 . ASP . 28061 1 138 . LEU . 28061 1 139 . VAL . 28061 1 140 . VAL . 28061 1 141 . GLU . 28061 1 142 . LEU . 28061 1 143 . GLU . 28061 1 144 . LYS . 28061 1 145 . LEU . 28061 1 146 . ASN . 28061 1 147 . LEU . 28061 1 148 . VAL . 28061 1 149 . ALA . 28061 1 150 . PRO . 28061 1 151 . ASP . 28061 1 152 . GLN . 28061 1 153 . LEU . 28061 1 154 . ASP . 28061 1 155 . LEU . 28061 1 156 . LEU . 28061 1 157 . GLU . 28061 1 158 . LYS . 28061 1 159 . CYS . 28061 1 160 . LEU . 28061 1 161 . LYS . 28061 1 162 . ASN . 28061 1 163 . ILE . 28061 1 164 . HIS . 28061 1 165 . ARG . 28061 1 166 . ILE . 28061 1 167 . ASP . 28061 1 168 . LEU . 28061 1 169 . LYS . 28061 1 170 . THR . 28061 1 171 . LYS . 28061 1 172 . ILE . 28061 1 173 . GLN . 28061 1 174 . LYS . 28061 1 175 . TYR . 28061 1 176 . LYS . 28061 1 177 . GLN . 28061 1 178 . LEU . 28061 1 179 . GLU . 28061 1 180 . HIS . 28061 1 181 . HIS . 28061 1 182 . HIS . 28061 1 183 . HIS . 28061 1 184 . HIS . 28061 1 185 . HIS . 28061 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 . MET 1 1 28061 1 . GLY 2 2 28061 1 . ARG 3 3 28061 1 . SER 4 4 28061 1 . ASP 5 5 28061 1 . SER 6 6 28061 1 . ALA 7 7 28061 1 . GLU 8 8 28061 1 . VAL 9 9 28061 1 . ILE 10 10 28061 1 . HIS 11 11 28061 1 . GLN 12 12 28061 1 . VAL 13 13 28061 1 . GLU 14 14 28061 1 . GLU 15 15 28061 1 . ALA 16 16 28061 1 . LEU 17 17 28061 1 . ASP 18 18 28061 1 . THR 19 19 28061 1 . ASP 20 20 28061 1 . GLU 21 21 28061 1 . LYS 22 22 28061 1 . GLU 23 23 28061 1 . MET 24 24 28061 1 . LEU 25 25 28061 1 . LEU 26 26 28061 1 . PHE 27 27 28061 1 . LEU 28 28 28061 1 . CYS 29 29 28061 1 . ARG 30 30 28061 1 . ASP 31 31 28061 1 . VAL 32 32 28061 1 . ALA 33 33 28061 1 . ILE 34 34 28061 1 . ASP 35 35 28061 1 . VAL 36 36 28061 1 . VAL 37 37 28061 1 . PRO 38 38 28061 1 . PRO 39 39 28061 1 . ASN 40 40 28061 1 . VAL 41 41 28061 1 . ARG 42 42 28061 1 . ASP 43 43 28061 1 . LEU 44 44 28061 1 . LEU 45 45 28061 1 . ASP 46 46 28061 1 . ILE 47 47 28061 1 . LEU 48 48 28061 1 . ARG 49 49 28061 1 . GLU 50 50 28061 1 . ARG 51 51 28061 1 . GLY 52 52 28061 1 . LYS 53 53 28061 1 . LEU 54 54 28061 1 . SER 55 55 28061 1 . VAL 56 56 28061 1 . GLY 57 57 28061 1 . ASP 58 58 28061 1 . LEU 59 59 28061 1 . ALA 60 60 28061 1 . GLU 61 61 28061 1 . LEU 62 62 28061 1 . LEU 63 63 28061 1 . TYR 64 64 28061 1 . ARG 65 65 28061 1 . VAL 66 66 28061 1 . ARG 67 67 28061 1 . ARG 68 68 28061 1 . PHE 69 69 28061 1 . ASP 70 70 28061 1 . LEU 71 71 28061 1 . LEU 72 72 28061 1 . LYS 73 73 28061 1 . ARG 74 74 28061 1 . ILE 75 75 28061 1 . LEU 76 76 28061 1 . LYS 77 77 28061 1 . MET 78 78 28061 1 . ASP 79 79 28061 1 . ARG 80 80 28061 1 . LYS 81 81 28061 1 . ALA 82 82 28061 1 . VAL 83 83 28061 1 . GLU 84 84 28061 1 . THR 85 85 28061 1 . HIS 86 86 28061 1 . LEU 87 87 28061 1 . LEU 88 88 28061 1 . ARG 89 89 28061 1 . ASN 90 90 28061 1 . PRO 91 91 28061 1 . HIS 92 92 28061 1 . LEU 93 93 28061 1 . VAL 94 94 28061 1 . SER 95 95 28061 1 . ASP 96 96 28061 1 . TYR 97 97 28061 1 . ARG 98 98 28061 1 . VAL 99 99 28061 1 . LEU 100 100 28061 1 . MET 101 101 28061 1 . ALA 102 102 28061 1 . GLU 103 103 28061 1 . ILE 104 104 28061 1 . GLY 105 105 28061 1 . GLU 106 106 28061 1 . ASP 107 107 28061 1 . LEU 108 108 28061 1 . ASP 109 109 28061 1 . LYS 110 110 28061 1 . SER 111 111 28061 1 . ASP 112 112 28061 1 . VAL 113 113 28061 1 . SER 114 114 28061 1 . SER 115 115 28061 1 . LEU 116 116 28061 1 . ILE 117 117 28061 1 . GLY 118 118 28061 1 . LEU 119 119 28061 1 . MET 120 120 28061 1 . LYS 121 121 28061 1 . ASP 122 122 28061 1 . TYR 123 123 28061 1 . MET 124 124 28061 1 . GLY 125 125 28061 1 . ARG 126 126 28061 1 . GLY 127 127 28061 1 . LYS 128 128 28061 1 . ILE 129 129 28061 1 . SER 130 130 28061 1 . LYS 131 131 28061 1 . GLU 132 132 28061 1 . LYS 133 133 28061 1 . SER 134 134 28061 1 . PHE 135 135 28061 1 . LEU 136 136 28061 1 . ASP 137 137 28061 1 . LEU 138 138 28061 1 . VAL 139 139 28061 1 . VAL 140 140 28061 1 . GLU 141 141 28061 1 . LEU 142 142 28061 1 . GLU 143 143 28061 1 . LYS 144 144 28061 1 . LEU 145 145 28061 1 . ASN 146 146 28061 1 . LEU 147 147 28061 1 . VAL 148 148 28061 1 . ALA 149 149 28061 1 . PRO 150 150 28061 1 . ASP 151 151 28061 1 . GLN 152 152 28061 1 . LEU 153 153 28061 1 . ASP 154 154 28061 1 . LEU 155 155 28061 1 . LEU 156 156 28061 1 . GLU 157 157 28061 1 . LYS 158 158 28061 1 . CYS 159 159 28061 1 . LEU 160 160 28061 1 . LYS 161 161 28061 1 . ASN 162 162 28061 1 . ILE 163 163 28061 1 . HIS 164 164 28061 1 . ARG 165 165 28061 1 . ILE 166 166 28061 1 . ASP 167 167 28061 1 . LEU 168 168 28061 1 . LYS 169 169 28061 1 . THR 170 170 28061 1 . LYS 171 171 28061 1 . ILE 172 172 28061 1 . GLN 173 173 28061 1 . LYS 174 174 28061 1 . TYR 175 175 28061 1 . LYS 176 176 28061 1 . GLN 177 177 28061 1 . LEU 178 178 28061 1 . GLU 179 179 28061 1 . HIS 180 180 28061 1 . HIS 181 181 28061 1 . HIS 182 182 28061 1 . HIS 183 183 28061 1 . HIS 184 184 28061 1 . HIS 185 185 28061 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 28061 _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 $c-FLPs . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 28061 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 28061 _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 $c-FLPs . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta(DE3 pLysS)' . . . . . pET-28a . . . 28061 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_c-FLIPs _Sample.Sf_category sample _Sample.Sf_framecode c-FLIPs _Sample.Entry_ID 28061 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 c-FLPs '[U-99% 13C; U-99% 15N]' . . 1 $c-FLPs . . 0.5 . . mM . . . . 28061 1 2 'sodium phosphate' 'natural abundance' . . . . . . 60 . . mM . . . . 28061 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 28061 1 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 28061 _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' 60 . mM 28061 1 pH 7.5 . pH 28061 1 pressure 1 . atm 28061 1 temperature 298 . K 28061 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 28061 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Zhengrong and Bax' . . 28061 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 28061 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 28061 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 28061 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 28061 _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 . . . 28061 1 2 spectrometer_2 Bruker Avance . 600 . . . 28061 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 28061 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $c-FLIPs isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28061 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $c-FLIPs isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28061 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $c-FLIPs isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28061 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $c-FLIPs isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28061 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $c-FLIPs isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 28061 1 6 '3D HNCO' no . . . . . . . . . . . . 1 $c-FLIPs isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28061 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $c-FLIPs isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 28061 1 8 '3D HCCH-COSY' no . . . . . . . . . . . . 1 $c-FLIPs isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28061 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $c-FLIPs isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28061 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $c-FLIPs isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28061 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 28061 _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 . . . . . 28061 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 28061 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 28061 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 28061 _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 HSQC' . . . 28061 1 2 '2D 1H-13C HSQC' . . . 28061 1 3 '3D HNCA' . . . 28061 1 4 '3D HNCACB' . . . 28061 1 5 '3D CBCA(CO)NH' . . . 28061 1 6 '3D HNCO' . . . 28061 1 7 '3D HBHA(CO)NH' . . . 28061 1 8 '3D HCCH-COSY' . . . 28061 1 9 '3D 1H-15N NOESY' . . . 28061 1 10 '3D 1H-13C NOESY' . . . 28061 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 4 4 SER H H 1 8.459 0.004 . 1 . . . . . 4 S H . 28061 1 2 . 1 . 1 4 4 SER HA H 1 4.427 0.025 . 1 . . . . . 4 S HA . 28061 1 3 . 1 . 1 4 4 SER HB2 H 1 3.761 0.004 . 2 . . . . . 4 S HB2 . 28061 1 4 . 1 . 1 4 4 SER HB3 H 1 3.946 0.012 . 2 . . . . . 4 S HB3 . 28061 1 5 . 1 . 1 4 4 SER C C 13 173.800 0.000 . 1 . . . . . 4 S C . 28061 1 6 . 1 . 1 4 4 SER CA C 13 58.503 0.017 . 1 . . . . . 4 S CA . 28061 1 7 . 1 . 1 4 4 SER CB C 13 64.026 0.066 . 1 . . . . . 4 S CB . 28061 1 8 . 1 . 1 4 4 SER N N 15 117.043 0.000 . 1 . . . . . 4 S N . 28061 1 9 . 1 . 1 5 5 ASP H H 1 8.173 0.003 . 1 . . . . . 5 D H . 28061 1 10 . 1 . 1 5 5 ASP HA H 1 4.630 0.027 . 1 . . . . . 5 D HA . 28061 1 11 . 1 . 1 5 5 ASP HB2 H 1 2.694 0.012 . 2 . . . . . 5 D HB2 . 28061 1 12 . 1 . 1 5 5 ASP HB3 H 1 2.903 0.006 . 2 . . . . . 5 D HB3 . 28061 1 13 . 1 . 1 5 5 ASP C C 13 176.704 0.000 . 1 . . . . . 5 D C . 28061 1 14 . 1 . 1 5 5 ASP CA C 13 54.117 0.106 . 1 . . . . . 5 D CA . 28061 1 15 . 1 . 1 5 5 ASP CB C 13 41.061 0.083 . 1 . . . . . 5 D CB . 28061 1 16 . 1 . 1 5 5 ASP N N 15 120.597 0.028 . 1 . . . . . 5 D N . 28061 1 17 . 1 . 1 6 6 SER H H 1 8.046 0.007 . 1 . . . . . 6 S H . 28061 1 18 . 1 . 1 6 6 SER HA H 1 4.309 0.036 . 1 . . . . . 6 S HA . 28061 1 19 . 1 . 1 6 6 SER HB2 H 1 3.877 0.051 . 2 . . . . . 6 S HB2 . 28061 1 20 . 1 . 1 6 6 SER HB3 H 1 3.995 0.001 . 2 . . . . . 6 S HB3 . 28061 1 21 . 1 . 1 6 6 SER C C 13 174.969 0.000 . 1 . . . . . 6 S C . 28061 1 22 . 1 . 1 6 6 SER CA C 13 59.188 0.217 . 1 . . . . . 6 S CA . 28061 1 23 . 1 . 1 6 6 SER CB C 13 63.842 0.041 . 1 . . . . . 6 S CB . 28061 1 24 . 1 . 1 6 6 SER N N 15 115.301 0.041 . 1 . . . . . 6 S N . 28061 1 25 . 1 . 1 7 7 ALA H H 1 8.426 0.012 . 1 . . . . . 7 A H . 28061 1 26 . 1 . 1 7 7 ALA HA H 1 4.074 0.008 . 1 . . . . . 7 A HA . 28061 1 27 . 1 . 1 7 7 ALA HB1 H 1 1.399 0.013 . 1 . . . . . 7 A HB . 28061 1 28 . 1 . 1 7 7 ALA HB2 H 1 1.399 0.013 . 1 . . . . . 7 A HB . 28061 1 29 . 1 . 1 7 7 ALA HB3 H 1 1.399 0.013 . 1 . . . . . 7 A HB . 28061 1 30 . 1 . 1 7 7 ALA C C 13 179.395 0.000 . 1 . . . . . 7 A C . 28061 1 31 . 1 . 1 7 7 ALA CA C 13 54.496 0.039 . 1 . . . . . 7 A CA . 28061 1 32 . 1 . 1 7 7 ALA CB C 13 18.565 0.087 . 1 . . . . . 7 A CB . 28061 1 33 . 1 . 1 7 7 ALA N N 15 124.442 0.067 . 1 . . . . . 7 A N . 28061 1 34 . 1 . 1 8 8 GLU H H 1 8.319 0.003 . 1 . . . . . 8 E H . 28061 1 35 . 1 . 1 8 8 GLU HA H 1 4.146 0.008 . 1 . . . . . 8 E HA . 28061 1 36 . 1 . 1 8 8 GLU HB2 H 1 2.062 0.066 . 1 . . . . . 8 E HB2 . 28061 1 37 . 1 . 1 8 8 GLU HB3 H 1 2.306 0.024 . 1 . . . . . 8 E HB3 . 28061 1 38 . 1 . 1 8 8 GLU HG2 H 1 2.062 0.119 . 2 . . . . . 8 E HG2 . 28061 1 39 . 1 . 1 8 8 GLU HG3 H 1 2.304 0.009 . 2 . . . . . 8 E HG3 . 28061 1 40 . 1 . 1 8 8 GLU C C 13 178.564 0.000 . 1 . . . . . 8 E C . 28061 1 41 . 1 . 1 8 8 GLU CA C 13 58.918 0.105 . 1 . . . . . 8 E CA . 28061 1 42 . 1 . 1 8 8 GLU CB C 13 29.402 0.092 . 1 . . . . . 8 E CB . 28061 1 43 . 1 . 1 8 8 GLU CG C 13 36.383 0.115 . 1 . . . . . 8 E CG . 28061 1 44 . 1 . 1 8 8 GLU N N 15 118.383 0.071 . 1 . . . . . 8 E N . 28061 1 45 . 1 . 1 9 9 VAL H H 1 7.753 0.006 . 1 . . . . . 9 V H . 28061 1 46 . 1 . 1 9 9 VAL HA H 1 3.736 0.008 . 1 . . . . . 9 V HA . 28061 1 47 . 1 . 1 9 9 VAL HB H 1 2.053 0.019 . 1 . . . . . 9 V HB . 28061 1 48 . 1 . 1 9 9 VAL HG11 H 1 0.790 0.004 . 1 . . . . . 9 V HG1 . 28061 1 49 . 1 . 1 9 9 VAL HG12 H 1 0.790 0.004 . 1 . . . . . 9 V HG1 . 28061 1 50 . 1 . 1 9 9 VAL HG13 H 1 0.790 0.004 . 1 . . . . . 9 V HG1 . 28061 1 51 . 1 . 1 9 9 VAL HG21 H 1 0.926 0.008 . 1 . . . . . 9 V HG2 . 28061 1 52 . 1 . 1 9 9 VAL HG22 H 1 0.926 0.008 . 1 . . . . . 9 V HG2 . 28061 1 53 . 1 . 1 9 9 VAL HG23 H 1 0.926 0.008 . 1 . . . . . 9 V HG2 . 28061 1 54 . 1 . 1 9 9 VAL C C 13 176.144 0.000 . 1 . . . . . 9 V C . 28061 1 55 . 1 . 1 9 9 VAL CA C 13 65.973 0.135 . 1 . . . . . 9 V CA . 28061 1 56 . 1 . 1 9 9 VAL CB C 13 31.799 0.052 . 1 . . . . . 9 V CB . 28061 1 57 . 1 . 1 9 9 VAL CG1 C 13 21.344 0.060 . 1 . . . . . 9 V CG1 . 28061 1 58 . 1 . 1 9 9 VAL CG2 C 13 22.233 0.161 . 1 . . . . . 9 V CG2 . 28061 1 59 . 1 . 1 9 9 VAL N N 15 119.663 0.086 . 1 . . . . . 9 V N . 28061 1 60 . 1 . 1 10 10 ILE H H 1 7.786 0.007 . 1 . . . . . 10 I H . 28061 1 61 . 1 . 1 10 10 ILE HA H 1 3.414 0.031 . 1 . . . . . 10 I HA . 28061 1 62 . 1 . 1 10 10 ILE HB H 1 1.851 0.146 . 1 . . . . . 10 I HB . 28061 1 63 . 1 . 1 10 10 ILE HG21 H 1 0.876 0.011 . 1 . . . . . 10 I HG2 . 28061 1 64 . 1 . 1 10 10 ILE HG22 H 1 0.876 0.011 . 1 . . . . . 10 I HG2 . 28061 1 65 . 1 . 1 10 10 ILE HG23 H 1 0.876 0.011 . 1 . . . . . 10 I HG2 . 28061 1 66 . 1 . 1 10 10 ILE HD11 H 1 0.856 0.033 . 1 . . . . . 10 I HD1 . 28061 1 67 . 1 . 1 10 10 ILE HD12 H 1 0.856 0.033 . 1 . . . . . 10 I HD1 . 28061 1 68 . 1 . 1 10 10 ILE HD13 H 1 0.856 0.033 . 1 . . . . . 10 I HD1 . 28061 1 69 . 1 . 1 10 10 ILE C C 13 177.519 0.000 . 1 . . . . . 10 I C . 28061 1 70 . 1 . 1 10 10 ILE CA C 13 66.171 0.128 . 1 . . . . . 10 I CA . 28061 1 71 . 1 . 1 10 10 ILE CB C 13 37.487 0.661 . 1 . . . . . 10 I CB . 28061 1 72 . 1 . 1 10 10 ILE CG1 C 13 29.562 0.000 . 1 . . . . . 10 I CG1 . 28061 1 73 . 1 . 1 10 10 ILE CG2 C 13 17.913 0.145 . 1 . . . . . 10 I CG2 . 28061 1 74 . 1 . 1 10 10 ILE CD1 C 13 13.107 0.091 . 1 . . . . . 10 I CD1 . 28061 1 75 . 1 . 1 10 10 ILE N N 15 118.862 0.077 . 1 . . . . . 10 I N . 28061 1 76 . 1 . 1 11 11 HIS H H 1 7.886 0.023 . 1 . . . . . 11 H H . 28061 1 77 . 1 . 1 11 11 HIS HA H 1 4.413 0.012 . 1 . . . . . 11 H HA . 28061 1 78 . 1 . 1 11 11 HIS HB2 H 1 3.234 0.026 . 1 . . . . . 11 H HB2 . 28061 1 79 . 1 . 1 11 11 HIS HB3 H 1 3.286 0.009 . 1 . . . . . 11 H HB3 . 28061 1 80 . 1 . 1 11 11 HIS C C 13 177.054 0.000 . 1 . . . . . 11 H C . 28061 1 81 . 1 . 1 11 11 HIS CA C 13 58.733 0.159 . 1 . . . . . 11 H CA . 28061 1 82 . 1 . 1 11 11 HIS CB C 13 29.339 0.187 . 1 . . . . . 11 H CB . 28061 1 83 . 1 . 1 11 11 HIS N N 15 117.860 0.173 . 1 . . . . . 11 H N . 28061 1 84 . 1 . 1 12 12 GLN H H 1 7.988 0.006 . 1 . . . . . 12 Q H . 28061 1 85 . 1 . 1 12 12 GLN HA H 1 3.929 0.003 . 1 . . . . . 12 Q HA . 28061 1 86 . 1 . 1 12 12 GLN HB2 H 1 2.213 0.004 . 2 . . . . . 12 Q HB2 . 28061 1 87 . 1 . 1 12 12 GLN HB3 H 1 1.978 0.004 . 2 . . . . . 12 Q HB3 . 28061 1 88 . 1 . 1 12 12 GLN HG2 H 1 2.599 0.005 . 2 . . . . . 12 Q HG2 . 28061 1 89 . 1 . 1 12 12 GLN HG3 H 1 2.363 0.013 . 2 . . . . . 12 Q HG3 . 28061 1 90 . 1 . 1 12 12 GLN HE22 H 1 6.981 0.000 . 1 . . . . . 12 Q HE22 . 28061 1 91 . 1 . 1 12 12 GLN C C 13 179.349 0.000 . 1 . . . . . 12 Q C . 28061 1 92 . 1 . 1 12 12 GLN CA C 13 59.025 0.159 . 1 . . . . . 12 Q CA . 28061 1 93 . 1 . 1 12 12 GLN CB C 13 29.383 0.187 . 1 . . . . . 12 Q CB . 28061 1 94 . 1 . 1 12 12 GLN CG C 13 34.596 0.077 . 1 . . . . . 12 Q CG . 28061 1 95 . 1 . 1 12 12 GLN N N 15 117.668 0.173 . 1 . . . . . 12 Q N . 28061 1 96 . 1 . 1 12 12 GLN NE2 N 15 113.670 0.000 . 1 . . . . . 12 Q NE2 . 28061 1 97 . 1 . 1 13 13 VAL H H 1 8.149 0.006 . 1 . . . . . 13 V H . 28061 1 98 . 1 . 1 13 13 VAL HA H 1 3.352 0.014 . 1 . . . . . 13 V HA . 28061 1 99 . 1 . 1 13 13 VAL HB H 1 2.128 0.008 . 1 . . . . . 13 V HB . 28061 1 100 . 1 . 1 13 13 VAL HG11 H 1 0.970 0.148 . 1 . . . . . 13 V HG1 . 28061 1 101 . 1 . 1 13 13 VAL HG12 H 1 0.970 0.148 . 1 . . . . . 13 V HG1 . 28061 1 102 . 1 . 1 13 13 VAL HG13 H 1 0.970 0.148 . 1 . . . . . 13 V HG1 . 28061 1 103 . 1 . 1 13 13 VAL HG21 H 1 0.702 0.087 . 1 . . . . . 13 V HG2 . 28061 1 104 . 1 . 1 13 13 VAL HG22 H 1 0.702 0.087 . 1 . . . . . 13 V HG2 . 28061 1 105 . 1 . 1 13 13 VAL HG23 H 1 0.702 0.087 . 1 . . . . . 13 V HG2 . 28061 1 106 . 1 . 1 13 13 VAL C C 13 176.473 0.000 . 1 . . . . . 13 V C . 28061 1 107 . 1 . 1 13 13 VAL CA C 13 67.155 0.064 . 1 . . . . . 13 V CA . 28061 1 108 . 1 . 1 13 13 VAL CB C 13 31.253 0.634 . 1 . . . . . 13 V CB . 28061 1 109 . 1 . 1 13 13 VAL CG1 C 13 23.877 0.156 . 1 . . . . . 13 V CG1 . 28061 1 110 . 1 . 1 13 13 VAL CG2 C 13 21.554 0.126 . 1 . . . . . 13 V CG2 . 28061 1 111 . 1 . 1 13 13 VAL N N 15 118.408 0.074 . 1 . . . . . 13 V N . 28061 1 112 . 1 . 1 14 14 GLU H H 1 8.129 0.009 . 1 . . . . . 14 E H . 28061 1 113 . 1 . 1 14 14 GLU HA H 1 3.536 0.007 . 1 . . . . . 14 E HA . 28061 1 114 . 1 . 1 14 14 GLU HB2 H 1 1.831 0.004 . 2 . . . . . 14 E HB2 . 28061 1 115 . 1 . 1 14 14 GLU HB3 H 1 2.196 0.027 . 2 . . . . . 14 E HB3 . 28061 1 116 . 1 . 1 14 14 GLU HG2 H 1 2.567 0.000 . 2 . . . . . 14 E HG2 . 28061 1 117 . 1 . 1 14 14 GLU C C 13 177.845 0.000 . 1 . . . . . 14 E C . 28061 1 118 . 1 . 1 14 14 GLU CA C 13 60.927 0.111 . 1 . . . . . 14 E CA . 28061 1 119 . 1 . 1 14 14 GLU CB C 13 29.043 0.218 . 1 . . . . . 14 E CB . 28061 1 120 . 1 . 1 14 14 GLU CG C 13 36.802 0.000 . 1 . . . . . 14 E CG . 28061 1 121 . 1 . 1 14 14 GLU N N 15 118.151 0.116 . 1 . . . . . 14 E N . 28061 1 122 . 1 . 1 15 15 GLU H H 1 7.801 0.002 . 1 . . . . . 15 E H . 28061 1 123 . 1 . 1 15 15 GLU HA H 1 3.963 0.008 . 1 . . . . . 15 E HA . 28061 1 124 . 1 . 1 15 15 GLU HB2 H 1 2.185 0.005 . 2 . . . . . 15 E HB2 . 28061 1 125 . 1 . 1 15 15 GLU HB3 H 1 1.909 0.003 . 2 . . . . . 15 E HB3 . 28061 1 126 . 1 . 1 15 15 GLU HG2 H 1 1.911 0.005 . 2 . . . . . 15 E HG2 . 28061 1 127 . 1 . 1 15 15 GLU HG3 H 1 2.202 0.003 . 2 . . . . . 15 E HG3 . 28061 1 128 . 1 . 1 15 15 GLU C C 13 177.318 0.000 . 1 . . . . . 15 E C . 28061 1 129 . 1 . 1 15 15 GLU CA C 13 58.034 0.171 . 1 . . . . . 15 E CA . 28061 1 130 . 1 . 1 15 15 GLU CB C 13 29.872 0.053 . 1 . . . . . 15 E CB . 28061 1 131 . 1 . 1 15 15 GLU CG C 13 36.401 0.104 . 1 . . . . . 15 E CG . 28061 1 132 . 1 . 1 15 15 GLU N N 15 113.887 0.062 . 1 . . . . . 15 E N . 28061 1 133 . 1 . 1 16 16 ALA H H 1 7.363 0.007 . 1 . . . . . 16 A H . 28061 1 134 . 1 . 1 16 16 ALA HA H 1 4.324 0.019 . 1 . . . . . 16 A HA . 28061 1 135 . 1 . 1 16 16 ALA HB1 H 1 1.509 0.005 . 1 . . . . . 16 A HB . 28061 1 136 . 1 . 1 16 16 ALA HB2 H 1 1.509 0.005 . 1 . . . . . 16 A HB . 28061 1 137 . 1 . 1 16 16 ALA HB3 H 1 1.509 0.005 . 1 . . . . . 16 A HB . 28061 1 138 . 1 . 1 16 16 ALA C C 13 178.963 0.000 . 1 . . . . . 16 A C . 28061 1 139 . 1 . 1 16 16 ALA CA C 13 52.723 0.171 . 1 . . . . . 16 A CA . 28061 1 140 . 1 . 1 16 16 ALA CB C 13 21.614 0.053 . 1 . . . . . 16 A CB . 28061 1 141 . 1 . 1 16 16 ALA N N 15 119.197 0.079 . 1 . . . . . 16 A N . 28061 1 142 . 1 . 1 17 17 LEU H H 1 7.172 0.007 . 1 . . . . . 17 L H . 28061 1 143 . 1 . 1 17 17 LEU HA H 1 4.400 0.021 . 1 . . . . . 17 L HA . 28061 1 144 . 1 . 1 17 17 LEU HB2 H 1 1.682 0.030 . 2 . . . . . 17 L HB2 . 28061 1 145 . 1 . 1 17 17 LEU HB3 H 1 1.489 0.009 . 2 . . . . . 17 L HB3 . 28061 1 146 . 1 . 1 17 17 LEU HG H 1 2.166 0.006 . 1 . . . . . 17 L HG . 28061 1 147 . 1 . 1 17 17 LEU HD11 H 1 0.662 0.009 . 1 . . . . . 17 L HD1 . 28061 1 148 . 1 . 1 17 17 LEU HD12 H 1 0.662 0.009 . 1 . . . . . 17 L HD1 . 28061 1 149 . 1 . 1 17 17 LEU HD13 H 1 0.662 0.009 . 1 . . . . . 17 L HD1 . 28061 1 150 . 1 . 1 17 17 LEU HD21 H 1 0.631 0.008 . 1 . . . . . 17 L HD2 . 28061 1 151 . 1 . 1 17 17 LEU HD22 H 1 0.631 0.008 . 1 . . . . . 17 L HD2 . 28061 1 152 . 1 . 1 17 17 LEU HD23 H 1 0.631 0.008 . 1 . . . . . 17 L HD2 . 28061 1 153 . 1 . 1 17 17 LEU C C 13 176.540 0.000 . 1 . . . . . 17 L C . 28061 1 154 . 1 . 1 17 17 LEU CA C 13 54.863 0.101 . 1 . . . . . 17 L CA . 28061 1 155 . 1 . 1 17 17 LEU CB C 13 43.394 0.065 . 1 . . . . . 17 L CB . 28061 1 156 . 1 . 1 17 17 LEU CG C 13 27.065 0.048 . 1 . . . . . 17 L CG . 28061 1 157 . 1 . 1 17 17 LEU CD1 C 13 22.570 0.170 . 1 . . . . . 17 L CD1 . 28061 1 158 . 1 . 1 17 17 LEU CD2 C 13 27.048 0.028 . 1 . . . . . 17 L CD2 . 28061 1 159 . 1 . 1 17 17 LEU N N 15 118.549 0.055 . 1 . . . . . 17 L N . 28061 1 160 . 1 . 1 18 18 ASP H H 1 8.943 0.006 . 1 . . . . . 18 D H . 28061 1 161 . 1 . 1 18 18 ASP HA H 1 4.861 0.005 . 1 . . . . . 18 D HA . 28061 1 162 . 1 . 1 18 18 ASP HB2 H 1 2.969 0.018 . 2 . . . . . 18 D HB2 . 28061 1 163 . 1 . 1 18 18 ASP HB3 H 1 2.793 0.000 . 2 . . . . . 18 D HB3 . 28061 1 164 . 1 . 1 18 18 ASP C C 13 177.320 0.000 . 1 . . . . . 18 D C . 28061 1 165 . 1 . 1 18 18 ASP CA C 13 52.360 0.076 . 1 . . . . . 18 D CA . 28061 1 166 . 1 . 1 18 18 ASP CB C 13 41.703 0.253 . 1 . . . . . 18 D CB . 28061 1 167 . 1 . 1 18 18 ASP N N 15 122.838 0.074 . 1 . . . . . 18 D N . 28061 1 168 . 1 . 1 19 19 THR H H 1 8.523 0.007 . 1 . . . . . 19 T H . 28061 1 169 . 1 . 1 19 19 THR HA H 1 3.763 0.005 . 1 . . . . . 19 T HA . 28061 1 170 . 1 . 1 19 19 THR HB H 1 4.125 0.072 . 1 . . . . . 19 T HB . 28061 1 171 . 1 . 1 19 19 THR HG21 H 1 1.301 0.003 . 1 . . . . . 19 T HG2 . 28061 1 172 . 1 . 1 19 19 THR HG22 H 1 1.301 0.003 . 1 . . . . . 19 T HG2 . 28061 1 173 . 1 . 1 19 19 THR HG23 H 1 1.301 0.003 . 1 . . . . . 19 T HG2 . 28061 1 174 . 1 . 1 19 19 THR C C 13 176.240 0.000 . 1 . . . . . 19 T C . 28061 1 175 . 1 . 1 19 19 THR CA C 13 67.439 0.078 . 1 . . . . . 19 T CA . 28061 1 176 . 1 . 1 19 19 THR CB C 13 68.963 0.128 . 1 . . . . . 19 T CB . 28061 1 177 . 1 . 1 19 19 THR CG2 C 13 22.141 0.096 . 1 . . . . . 19 T CG2 . 28061 1 178 . 1 . 1 19 19 THR N N 15 114.912 0.082 . 1 . . . . . 19 T N . 28061 1 179 . 1 . 1 20 20 ASP H H 1 8.382 0.006 . 1 . . . . . 20 D H . 28061 1 180 . 1 . 1 20 20 ASP HA H 1 4.406 0.006 . 1 . . . . . 20 D HA . 28061 1 181 . 1 . 1 20 20 ASP HB2 H 1 2.148 0.303 . 2 . . . . . 20 D HB2 . 28061 1 182 . 1 . 1 20 20 ASP HB3 H 1 2.742 0.009 . 2 . . . . . 20 D HB3 . 28061 1 183 . 1 . 1 20 20 ASP C C 13 179.343 0.000 . 1 . . . . . 20 D C . 28061 1 184 . 1 . 1 20 20 ASP CA C 13 57.507 0.040 . 1 . . . . . 20 D CA . 28061 1 185 . 1 . 1 20 20 ASP CB C 13 39.935 0.305 . 1 . . . . . 20 D CB . 28061 1 186 . 1 . 1 20 20 ASP N N 15 121.041 0.059 . 1 . . . . . 20 D N . 28061 1 187 . 1 . 1 21 21 GLU H H 1 8.101 0.003 . 1 . . . . . 21 E H . 28061 1 188 . 1 . 1 21 21 GLU HB2 H 1 2.474 0.000 . 2 . . . . . 21 E HB2 . 28061 1 189 . 1 . 1 21 21 GLU HG2 H 1 2.473 0.107 . 2 . . . . . 21 E HG2 . 28061 1 190 . 1 . 1 21 21 GLU HG3 H 1 2.359 0.000 . 2 . . . . . 21 E HG3 . 28061 1 191 . 1 . 1 21 21 GLU C C 13 178.885 0.000 . 1 . . . . . 21 E C . 28061 1 192 . 1 . 1 21 21 GLU CA C 13 58.897 0.082 . 1 . . . . . 21 E CA . 28061 1 193 . 1 . 1 21 21 GLU CB C 13 30.084 0.059 . 1 . . . . . 21 E CB . 28061 1 194 . 1 . 1 21 21 GLU N N 15 122.573 0.041 . 1 . . . . . 21 E N . 28061 1 195 . 1 . 1 22 22 LYS H H 1 8.363 0.008 . 1 . . . . . 22 K H . 28061 1 196 . 1 . 1 22 22 LYS HA H 1 3.733 0.008 . 1 . . . . . 22 K HA . 28061 1 197 . 1 . 1 22 22 LYS HB2 H 1 1.780 0.000 . 2 . . . . . 22 K HB2 . 28061 1 198 . 1 . 1 22 22 LYS HB3 H 1 2.210 0.000 . 2 . . . . . 22 K HB3 . 28061 1 199 . 1 . 1 22 22 LYS HG2 H 1 1.054 0.000 . 2 . . . . . 22 K HG2 . 28061 1 200 . 1 . 1 22 22 LYS HE2 H 1 3.018 0.000 . 2 . . . . . 22 K HE2 . 28061 1 201 . 1 . 1 22 22 LYS HE3 H 1 2.957 0.007 . 2 . . . . . 22 K HE3 . 28061 1 202 . 1 . 1 22 22 LYS C C 13 177.908 0.000 . 1 . . . . . 22 K C . 28061 1 203 . 1 . 1 22 22 LYS CA C 13 61.321 0.177 . 1 . . . . . 22 K CA . 28061 1 204 . 1 . 1 22 22 LYS CB C 13 32.389 0.113 . 1 . . . . . 22 K CB . 28061 1 205 . 1 . 1 22 22 LYS CE C 13 39.726 0.414 . 1 . . . . . 22 K CE . 28061 1 206 . 1 . 1 22 22 LYS N N 15 118.907 0.100 . 1 . . . . . 22 K N . 28061 1 207 . 1 . 1 23 23 GLU H H 1 7.805 0.005 . 1 . . . . . 23 E H . 28061 1 208 . 1 . 1 23 23 GLU HA H 1 3.929 0.006 . 1 . . . . . 23 E HA . 28061 1 209 . 1 . 1 23 23 GLU HB2 H 1 2.069 0.065 . 2 . . . . . 23 E HB2 . 28061 1 210 . 1 . 1 23 23 GLU HB3 H 1 2.220 0.001 . 2 . . . . . 23 E HB3 . 28061 1 211 . 1 . 1 23 23 GLU HG2 H 1 2.496 0.006 . 2 . . . . . 23 E HG2 . 28061 1 212 . 1 . 1 23 23 GLU HG3 H 1 2.362 0.001 . 2 . . . . . 23 E HG3 . 28061 1 213 . 1 . 1 23 23 GLU C C 13 180.018 0.000 . 1 . . . . . 23 E C . 28061 1 214 . 1 . 1 23 23 GLU CA C 13 59.435 0.081 . 1 . . . . . 23 E CA . 28061 1 215 . 1 . 1 23 23 GLU CB C 13 29.268 0.143 . 1 . . . . . 23 E CB . 28061 1 216 . 1 . 1 23 23 GLU CG C 13 36.586 0.169 . 1 . . . . . 23 E CG . 28061 1 217 . 1 . 1 23 23 GLU N N 15 116.907 0.100 . 1 . . . . . 23 E N . 28061 1 218 . 1 . 1 24 24 MET H H 1 8.080 0.002 . 1 . . . . . 24 M H . 28061 1 219 . 1 . 1 24 24 MET HA H 1 4.090 0.013 . 1 . . . . . 24 M HA . 28061 1 220 . 1 . 1 24 24 MET HB2 H 1 2.087 0.159 . 2 . . . . . 24 M HB2 . 28061 1 221 . 1 . 1 24 24 MET HB3 H 1 2.398 0.091 . 2 . . . . . 24 M HB3 . 28061 1 222 . 1 . 1 24 24 MET HG2 H 1 2.715 0.132 . 2 . . . . . 24 M HG2 . 28061 1 223 . 1 . 1 24 24 MET HG3 H 1 2.446 0.035 . 2 . . . . . 24 M HG3 . 28061 1 224 . 1 . 1 24 24 MET HE1 H 1 2.088 0.006 . 1 . . . . . 24 M HE . 28061 1 225 . 1 . 1 24 24 MET HE2 H 1 2.088 0.006 . 1 . . . . . 24 M HE . 28061 1 226 . 1 . 1 24 24 MET HE3 H 1 2.088 0.006 . 1 . . . . . 24 M HE . 28061 1 227 . 1 . 1 24 24 MET C C 13 177.738 0.000 . 1 . . . . . 24 M C . 28061 1 228 . 1 . 1 24 24 MET CA C 13 58.978 0.272 . 1 . . . . . 24 M CA . 28061 1 229 . 1 . 1 24 24 MET CB C 13 31.612 0.073 . 1 . . . . . 24 M CB . 28061 1 230 . 1 . 1 24 24 MET CG C 13 32.105 0.053 . 1 . . . . . 24 M CG . 28061 1 231 . 1 . 1 24 24 MET CE C 13 17.440 0.073 . 1 . . . . . 24 M CE . 28061 1 232 . 1 . 1 24 24 MET N N 15 119.738 0.073 . 1 . . . . . 24 M N . 28061 1 233 . 1 . 1 25 25 LEU HA H 1 3.826 0.022 . 1 . . . . . 25 L HA . 28061 1 234 . 1 . 1 25 25 LEU HB2 H 1 1.743 0.059 . 2 . . . . . 25 L HB2 . 28061 1 235 . 1 . 1 25 25 LEU HB3 H 1 1.696 0.104 . 2 . . . . . 25 L HB3 . 28061 1 236 . 1 . 1 25 25 LEU HG H 1 1.677 0.003 . 1 . . . . . 25 L HG . 28061 1 237 . 1 . 1 25 25 LEU HD11 H 1 0.895 0.014 . 1 . . . . . 25 L HD1 . 28061 1 238 . 1 . 1 25 25 LEU HD12 H 1 0.895 0.014 . 1 . . . . . 25 L HD1 . 28061 1 239 . 1 . 1 25 25 LEU HD13 H 1 0.895 0.014 . 1 . . . . . 25 L HD1 . 28061 1 240 . 1 . 1 25 25 LEU HD21 H 1 0.739 0.052 . 1 . . . . . 25 L HD2 . 28061 1 241 . 1 . 1 25 25 LEU HD22 H 1 0.739 0.052 . 1 . . . . . 25 L HD2 . 28061 1 242 . 1 . 1 25 25 LEU HD23 H 1 0.739 0.052 . 1 . . . . . 25 L HD2 . 28061 1 243 . 1 . 1 25 25 LEU C C 13 178.320 0.000 . 1 . . . . . 25 L C . 28061 1 244 . 1 . 1 25 25 LEU CA C 13 59.280 0.163 . 1 . . . . . 25 L CA . 28061 1 245 . 1 . 1 25 25 LEU CB C 13 41.901 0.398 . 1 . . . . . 25 L CB . 28061 1 246 . 1 . 1 25 25 LEU CG C 13 27.342 0.000 . 1 . . . . . 25 L CG . 28061 1 247 . 1 . 1 25 25 LEU CD2 C 13 25.925 0.052 . 1 . . . . . 25 L CD2 . 28061 1 248 . 1 . 1 25 25 LEU N N 15 120.523 0.056 . 1 . . . . . 25 L N . 28061 1 249 . 1 . 1 26 26 LEU H H 1 7.866 0.107 . 1 . . . . . 26 L H . 28061 1 250 . 1 . 1 26 26 LEU HA H 1 3.734 0.013 . 1 . . . . . 26 L HA . 28061 1 251 . 1 . 1 26 26 LEU HB2 H 1 1.701 0.080 . 2 . . . . . 26 L HB2 . 28061 1 252 . 1 . 1 26 26 LEU HB3 H 1 1.919 0.017 . 2 . . . . . 26 L HB3 . 28061 1 253 . 1 . 1 26 26 LEU HG H 1 1.441 0.006 . 1 . . . . . 26 L HG . 28061 1 254 . 1 . 1 26 26 LEU HD11 H 1 0.659 0.097 . 1 . . . . . 26 L HD1 . 28061 1 255 . 1 . 1 26 26 LEU HD12 H 1 0.659 0.097 . 1 . . . . . 26 L HD1 . 28061 1 256 . 1 . 1 26 26 LEU HD13 H 1 0.659 0.097 . 1 . . . . . 26 L HD1 . 28061 1 257 . 1 . 1 26 26 LEU HD21 H 1 0.906 0.087 . 1 . . . . . 26 L HD2 . 28061 1 258 . 1 . 1 26 26 LEU HD22 H 1 0.906 0.087 . 1 . . . . . 26 L HD2 . 28061 1 259 . 1 . 1 26 26 LEU HD23 H 1 0.906 0.087 . 1 . . . . . 26 L HD2 . 28061 1 260 . 1 . 1 26 26 LEU C C 13 179.246 0.000 . 1 . . . . . 26 L C . 28061 1 261 . 1 . 1 26 26 LEU CA C 13 58.331 0.163 . 1 . . . . . 26 L CA . 28061 1 262 . 1 . 1 26 26 LEU CB C 13 41.807 0.196 . 1 . . . . . 26 L CB . 28061 1 263 . 1 . 1 26 26 LEU CG C 13 25.513 0.191 . 1 . . . . . 26 L CG . 28061 1 264 . 1 . 1 26 26 LEU CD1 C 13 23.429 0.087 . 1 . . . . . 26 L CD1 . 28061 1 265 . 1 . 1 26 26 LEU CD2 C 13 25.884 0.094 . 1 . . . . . 26 L CD2 . 28061 1 266 . 1 . 1 26 26 LEU N N 15 117.213 0.292 . 1 . . . . . 26 L N . 28061 1 267 . 1 . 1 27 27 PHE H H 1 7.635 0.005 . 1 . . . . . 27 F H . 28061 1 268 . 1 . 1 27 27 PHE HA H 1 4.626 0.004 . 1 . . . . . 27 F HA . 28061 1 269 . 1 . 1 27 27 PHE HB2 H 1 3.226 0.198 . 2 . . . . . 27 F HB2 . 28061 1 270 . 1 . 1 27 27 PHE HB3 H 1 2.854 0.064 . 2 . . . . . 27 F HB3 . 28061 1 271 . 1 . 1 27 27 PHE C C 13 177.542 0.000 . 1 . . . . . 27 F C . 28061 1 272 . 1 . 1 27 27 PHE CA C 13 61.795 0.058 . 1 . . . . . 27 F CA . 28061 1 273 . 1 . 1 27 27 PHE CB C 13 39.522 0.138 . 1 . . . . . 27 F CB . 28061 1 274 . 1 . 1 27 27 PHE N N 15 118.840 0.111 . 1 . . . . . 27 F N . 28061 1 275 . 1 . 1 28 28 LEU H H 1 8.994 0.002 . 1 . . . . . 28 L H . 28061 1 276 . 1 . 1 28 28 LEU HA H 1 3.710 0.015 . 1 . . . . . 28 L HA . 28061 1 277 . 1 . 1 28 28 LEU HB2 H 1 1.842 0.157 . 2 . . . . . 28 L HB2 . 28061 1 278 . 1 . 1 28 28 LEU HG H 1 2.213 0.009 . 1 . . . . . 28 L HG . 28061 1 279 . 1 . 1 28 28 LEU HD11 H 1 0.859 0.029 . 1 . . . . . 28 L HD1 . 28061 1 280 . 1 . 1 28 28 LEU HD12 H 1 0.859 0.029 . 1 . . . . . 28 L HD1 . 28061 1 281 . 1 . 1 28 28 LEU HD13 H 1 0.859 0.029 . 1 . . . . . 28 L HD1 . 28061 1 282 . 1 . 1 28 28 LEU HD21 H 1 0.741 0.126 . 1 . . . . . 28 L HD2 . 28061 1 283 . 1 . 1 28 28 LEU HD22 H 1 0.741 0.126 . 1 . . . . . 28 L HD2 . 28061 1 284 . 1 . 1 28 28 LEU HD23 H 1 0.741 0.126 . 1 . . . . . 28 L HD2 . 28061 1 285 . 1 . 1 28 28 LEU C C 13 178.005 0.000 . 1 . . . . . 28 L C . 28061 1 286 . 1 . 1 28 28 LEU CA C 13 57.658 0.243 . 1 . . . . . 28 L CA . 28061 1 287 . 1 . 1 28 28 LEU CB C 13 41.442 0.092 . 1 . . . . . 28 L CB . 28061 1 288 . 1 . 1 28 28 LEU CG C 13 26.868 0.497 . 1 . . . . . 28 L CG . 28061 1 289 . 1 . 1 28 28 LEU CD1 C 13 22.717 0.219 . 1 . . . . . 28 L CD1 . 28061 1 290 . 1 . 1 28 28 LEU CD2 C 13 27.350 0.000 . 1 . . . . . 28 L CD2 . 28061 1 291 . 1 . 1 28 28 LEU N N 15 117.998 0.075 . 1 . . . . . 28 L N . 28061 1 292 . 1 . 1 29 29 CYS H H 1 7.361 0.005 . 1 . . . . . 29 C H . 28061 1 293 . 1 . 1 29 29 CYS HA H 1 4.434 0.011 . 1 . . . . . 29 C HA . 28061 1 294 . 1 . 1 29 29 CYS HB2 H 1 2.703 0.078 . 2 . . . . . 29 C HB2 . 28061 1 295 . 1 . 1 29 29 CYS HB3 H 1 2.925 0.016 . 2 . . . . . 29 C HB3 . 28061 1 296 . 1 . 1 29 29 CYS C C 13 175.474 0.000 . 1 . . . . . 29 C C . 28061 1 297 . 1 . 1 29 29 CYS CA C 13 60.898 0.243 . 1 . . . . . 29 C CA . 28061 1 298 . 1 . 1 29 29 CYS CB C 13 28.489 0.092 . 1 . . . . . 29 C CB . 28061 1 299 . 1 . 1 29 29 CYS N N 15 109.981 0.079 . 1 . . . . . 29 C N . 28061 1 300 . 1 . 1 30 30 ARG H H 1 7.369 0.004 . 1 . . . . . 30 R H . 28061 1 301 . 1 . 1 30 30 ARG HA H 1 3.930 0.020 . 1 . . . . . 30 R HA . 28061 1 302 . 1 . 1 30 30 ARG HB2 H 1 1.679 0.002 . 2 . . . . . 30 R HB2 . 28061 1 303 . 1 . 1 30 30 ARG HB3 H 1 1.458 0.003 . 2 . . . . . 30 R HB3 . 28061 1 304 . 1 . 1 30 30 ARG HD2 H 1 3.282 0.000 . 2 . . . . . 30 R HD2 . 28061 1 305 . 1 . 1 30 30 ARG C C 13 176.886 0.000 . 1 . . . . . 30 R C . 28061 1 306 . 1 . 1 30 30 ARG CA C 13 59.655 0.126 . 1 . . . . . 30 R CA . 28061 1 307 . 1 . 1 30 30 ARG CB C 13 30.204 0.138 . 1 . . . . . 30 R CB . 28061 1 308 . 1 . 1 30 30 ARG N N 15 120.631 0.092 . 1 . . . . . 30 R N . 28061 1 309 . 1 . 1 31 31 ASP H H 1 8.135 0.008 . 1 . . . . . 31 D H . 28061 1 310 . 1 . 1 31 31 ASP HA H 1 4.772 0.000 . 1 . . . . . 31 D HA . 28061 1 311 . 1 . 1 31 31 ASP HB2 H 1 2.678 0.004 . 2 . . . . . 31 D HB2 . 28061 1 312 . 1 . 1 31 31 ASP HB3 H 1 2.931 0.000 . 2 . . . . . 31 D HB3 . 28061 1 313 . 1 . 1 31 31 ASP C C 13 176.826 0.000 . 1 . . . . . 31 D C . 28061 1 314 . 1 . 1 31 31 ASP CA C 13 54.966 0.145 . 1 . . . . . 31 D CA . 28061 1 315 . 1 . 1 31 31 ASP CB C 13 41.008 0.179 . 1 . . . . . 31 D CB . 28061 1 316 . 1 . 1 31 31 ASP N N 15 113.686 0.119 . 1 . . . . . 31 D N . 28061 1 317 . 1 . 1 32 32 VAL H H 1 7.488 0.006 . 1 . . . . . 32 V H . 28061 1 318 . 1 . 1 32 32 VAL HA H 1 4.001 0.008 . 1 . . . . . 32 V HA . 28061 1 319 . 1 . 1 32 32 VAL HB H 1 2.085 0.005 . 1 . . . . . 32 V HB . 28061 1 320 . 1 . 1 32 32 VAL HG11 H 1 0.987 0.022 . 1 . . . . . 32 V HG1 . 28061 1 321 . 1 . 1 32 32 VAL HG12 H 1 0.987 0.022 . 1 . . . . . 32 V HG1 . 28061 1 322 . 1 . 1 32 32 VAL HG13 H 1 0.987 0.022 . 1 . . . . . 32 V HG1 . 28061 1 323 . 1 . 1 32 32 VAL HG21 H 1 1.017 0.016 . 1 . . . . . 32 V HG2 . 28061 1 324 . 1 . 1 32 32 VAL HG22 H 1 1.017 0.016 . 1 . . . . . 32 V HG2 . 28061 1 325 . 1 . 1 32 32 VAL HG23 H 1 1.017 0.016 . 1 . . . . . 32 V HG2 . 28061 1 326 . 1 . 1 32 32 VAL C C 13 175.690 0.000 . 1 . . . . . 32 V C . 28061 1 327 . 1 . 1 32 32 VAL CA C 13 63.346 0.120 . 1 . . . . . 32 V CA . 28061 1 328 . 1 . 1 32 32 VAL CB C 13 32.146 0.121 . 1 . . . . . 32 V CB . 28061 1 329 . 1 . 1 32 32 VAL CG1 C 13 21.597 0.165 . 1 . . . . . 32 V CG1 . 28061 1 330 . 1 . 1 32 32 VAL CG2 C 13 21.431 0.104 . 1 . . . . . 32 V CG2 . 28061 1 331 . 1 . 1 32 32 VAL N N 15 118.324 0.065 . 1 . . . . . 32 V N . 28061 1 332 . 1 . 1 33 33 ALA H H 1 7.977 0.007 . 1 . . . . . 33 A H . 28061 1 333 . 1 . 1 33 33 ALA HA H 1 4.452 0.007 . 1 . . . . . 33 A HA . 28061 1 334 . 1 . 1 33 33 ALA HB1 H 1 1.238 0.003 . 1 . . . . . 33 A HB . 28061 1 335 . 1 . 1 33 33 ALA HB2 H 1 1.238 0.003 . 1 . . . . . 33 A HB . 28061 1 336 . 1 . 1 33 33 ALA HB3 H 1 1.238 0.003 . 1 . . . . . 33 A HB . 28061 1 337 . 1 . 1 33 33 ALA C C 13 178.516 0.000 . 1 . . . . . 33 A C . 28061 1 338 . 1 . 1 33 33 ALA CA C 13 51.644 0.136 . 1 . . . . . 33 A CA . 28061 1 339 . 1 . 1 33 33 ALA CB C 13 17.901 0.148 . 1 . . . . . 33 A CB . 28061 1 340 . 1 . 1 33 33 ALA N N 15 125.520 0.058 . 1 . . . . . 33 A N . 28061 1 341 . 1 . 1 34 34 ILE H H 1 7.772 0.008 . 1 . . . . . 34 I H . 28061 1 342 . 1 . 1 34 34 ILE HA H 1 4.219 0.009 . 1 . . . . . 34 I HA . 28061 1 343 . 1 . 1 34 34 ILE HB H 1 1.936 0.010 . 1 . . . . . 34 I HB . 28061 1 344 . 1 . 1 34 34 ILE HG12 H 1 1.426 0.006 . 2 . . . . . 34 I HG12 . 28061 1 345 . 1 . 1 34 34 ILE HG13 H 1 1.127 0.008 . 2 . . . . . 34 I HG13 . 28061 1 346 . 1 . 1 34 34 ILE HG21 H 1 0.864 0.005 . 1 . . . . . 34 I HG2 . 28061 1 347 . 1 . 1 34 34 ILE HG22 H 1 0.864 0.005 . 1 . . . . . 34 I HG2 . 28061 1 348 . 1 . 1 34 34 ILE HG23 H 1 0.864 0.005 . 1 . . . . . 34 I HG2 . 28061 1 349 . 1 . 1 34 34 ILE HD11 H 1 0.864 0.005 . 1 . . . . . 34 I HD1 . 28061 1 350 . 1 . 1 34 34 ILE HD12 H 1 0.864 0.005 . 1 . . . . . 34 I HD1 . 28061 1 351 . 1 . 1 34 34 ILE HD13 H 1 0.864 0.005 . 1 . . . . . 34 I HD1 . 28061 1 352 . 1 . 1 34 34 ILE C C 13 175.654 0.000 . 1 . . . . . 34 I C . 28061 1 353 . 1 . 1 34 34 ILE CA C 13 61.774 0.158 . 1 . . . . . 34 I CA . 28061 1 354 . 1 . 1 34 34 ILE CB C 13 39.357 0.127 . 1 . . . . . 34 I CB . 28061 1 355 . 1 . 1 34 34 ILE CG1 C 13 27.230 0.107 . 1 . . . . . 34 I CG1 . 28061 1 356 . 1 . 1 34 34 ILE CG2 C 13 17.714 0.096 . 1 . . . . . 34 I CG2 . 28061 1 357 . 1 . 1 34 34 ILE CD1 C 13 13.871 0.136 . 1 . . . . . 34 I CD1 . 28061 1 358 . 1 . 1 34 34 ILE N N 15 118.938 0.043 . 1 . . . . . 34 I N . 28061 1 359 . 1 . 1 35 35 ASP H H 1 8.753 0.003 . 1 . . . . . 35 D H . 28061 1 360 . 1 . 1 35 35 ASP HA H 1 4.413 0.009 . 1 . . . . . 35 D HA . 28061 1 361 . 1 . 1 35 35 ASP HB2 H 1 2.726 0.010 . 2 . . . . . 35 D HB2 . 28061 1 362 . 1 . 1 35 35 ASP HB3 H 1 2.513 0.000 . 2 . . . . . 35 D HB3 . 28061 1 363 . 1 . 1 35 35 ASP C C 13 175.434 0.000 . 1 . . . . . 35 D C . 28061 1 364 . 1 . 1 35 35 ASP CA C 13 55.403 0.129 . 1 . . . . . 35 D CA . 28061 1 365 . 1 . 1 35 35 ASP CB C 13 40.394 0.094 . 1 . . . . . 35 D CB . 28061 1 366 . 1 . 1 35 35 ASP N N 15 119.884 0.126 . 1 . . . . . 35 D N . 28061 1 367 . 1 . 1 36 36 VAL H H 1 7.532 0.003 . 1 . . . . . 36 V H . 28061 1 368 . 1 . 1 36 36 VAL HA H 1 4.254 0.005 . 1 . . . . . 36 V HA . 28061 1 369 . 1 . 1 36 36 VAL HB H 1 1.956 0.008 . 1 . . . . . 36 V HB . 28061 1 370 . 1 . 1 36 36 VAL HG11 H 1 0.822 0.006 . 1 . . . . . 36 V HG1 . 28061 1 371 . 1 . 1 36 36 VAL HG12 H 1 0.822 0.006 . 1 . . . . . 36 V HG1 . 28061 1 372 . 1 . 1 36 36 VAL HG13 H 1 0.822 0.006 . 1 . . . . . 36 V HG1 . 28061 1 373 . 1 . 1 36 36 VAL HG21 H 1 0.798 0.001 . 1 . . . . . 36 V HG2 . 28061 1 374 . 1 . 1 36 36 VAL HG22 H 1 0.798 0.001 . 1 . . . . . 36 V HG2 . 28061 1 375 . 1 . 1 36 36 VAL HG23 H 1 0.798 0.001 . 1 . . . . . 36 V HG2 . 28061 1 376 . 1 . 1 36 36 VAL C C 13 174.286 0.000 . 1 . . . . . 36 V C . 28061 1 377 . 1 . 1 36 36 VAL CA C 13 60.742 0.129 . 1 . . . . . 36 V CA . 28061 1 378 . 1 . 1 36 36 VAL CB C 13 34.409 0.059 . 1 . . . . . 36 V CB . 28061 1 379 . 1 . 1 36 36 VAL CG1 C 13 20.727 0.136 . 1 . . . . . 36 V CG1 . 28061 1 380 . 1 . 1 36 36 VAL CG2 C 13 20.886 0.057 . 1 . . . . . 36 V CG2 . 28061 1 381 . 1 . 1 36 36 VAL N N 15 116.746 0.047 . 1 . . . . . 36 V N . 28061 1 382 . 1 . 1 37 37 VAL H H 1 8.342 0.003 . 1 . . . . . 37 V H . 28061 1 383 . 1 . 1 37 37 VAL HA H 1 4.252 0.008 . 1 . . . . . 37 V HA . 28061 1 384 . 1 . 1 37 37 VAL HB H 1 2.021 0.004 . 1 . . . . . 37 V HB . 28061 1 385 . 1 . 1 37 37 VAL HG11 H 1 0.875 0.033 . 1 . . . . . 37 V HG1 . 28061 1 386 . 1 . 1 37 37 VAL HG12 H 1 0.875 0.033 . 1 . . . . . 37 V HG1 . 28061 1 387 . 1 . 1 37 37 VAL HG13 H 1 0.875 0.033 . 1 . . . . . 37 V HG1 . 28061 1 388 . 1 . 1 37 37 VAL HG21 H 1 0.871 0.012 . 1 . . . . . 37 V HG2 . 28061 1 389 . 1 . 1 37 37 VAL HG22 H 1 0.871 0.012 . 1 . . . . . 37 V HG2 . 28061 1 390 . 1 . 1 37 37 VAL HG23 H 1 0.871 0.012 . 1 . . . . . 37 V HG2 . 28061 1 391 . 1 . 1 37 37 VAL CA C 13 59.804 0.103 . 1 . . . . . 37 V CA . 28061 1 392 . 1 . 1 37 37 VAL CB C 13 31.893 0.127 . 1 . . . . . 37 V CB . 28061 1 393 . 1 . 1 37 37 VAL CG1 C 13 21.112 0.185 . 1 . . . . . 37 V CG1 . 28061 1 394 . 1 . 1 37 37 VAL CG2 C 13 21.300 0.218 . 1 . . . . . 37 V CG2 . 28061 1 395 . 1 . 1 37 37 VAL N N 15 124.376 0.076 . 1 . . . . . 37 V N . 28061 1 396 . 1 . 1 38 38 PRO HA H 1 3.891 0.008 . 1 . . . . . 38 P HA . 28061 1 397 . 1 . 1 38 38 PRO HD2 H 1 3.716 0.004 . 2 . . . . . 38 P HD2 . 28061 1 398 . 1 . 1 38 38 PRO HD3 H 1 3.710 0.068 . 2 . . . . . 38 P HD3 . 28061 1 399 . 1 . 1 38 38 PRO CD C 13 50.636 0.173 . 1 . . . . . 38 P CD . 28061 1 400 . 1 . 1 39 39 PRO HA H 1 4.344 0.124 . 1 . . . . . 39 P HA . 28061 1 401 . 1 . 1 39 39 PRO HB2 H 1 2.251 0.079 . 2 . . . . . 39 P HB2 . 28061 1 402 . 1 . 1 39 39 PRO HB3 H 1 2.025 0.138 . 2 . . . . . 39 P HB3 . 28061 1 403 . 1 . 1 39 39 PRO HG2 H 1 2.013 0.005 . 2 . . . . . 39 P HG2 . 28061 1 404 . 1 . 1 39 39 PRO HG3 H 1 2.276 0.003 . 2 . . . . . 39 P HG3 . 28061 1 405 . 1 . 1 39 39 PRO HD2 H 1 3.852 0.091 . 2 . . . . . 39 P HD2 . 28061 1 406 . 1 . 1 39 39 PRO HD3 H 1 3.638 0.080 . 2 . . . . . 39 P HD3 . 28061 1 407 . 1 . 1 39 39 PRO C C 13 175.936 0.000 . 1 . . . . . 39 P C . 28061 1 408 . 1 . 1 39 39 PRO CA C 13 63.386 0.100 . 1 . . . . . 39 P CA . 28061 1 409 . 1 . 1 39 39 PRO CB C 13 32.062 0.129 . 1 . . . . . 39 P CB . 28061 1 410 . 1 . 1 39 39 PRO CG C 13 27.342 0.117 . 1 . . . . . 39 P CG . 28061 1 411 . 1 . 1 39 39 PRO CD C 13 50.657 0.173 . 1 . . . . . 39 P CD . 28061 1 412 . 1 . 1 40 40 ASN H H 1 7.217 0.006 . 1 . . . . . 40 N H . 28061 1 413 . 1 . 1 40 40 ASN HA H 1 4.781 0.006 . 1 . . . . . 40 N HA . 28061 1 414 . 1 . 1 40 40 ASN HB2 H 1 2.505 0.108 . 2 . . . . . 40 N HB2 . 28061 1 415 . 1 . 1 40 40 ASN HB3 H 1 2.904 0.002 . 2 . . . . . 40 N HB3 . 28061 1 416 . 1 . 1 40 40 ASN HD21 H 1 6.828 0.072 . 2 . . . . . 40 N HD21 . 28061 1 417 . 1 . 1 40 40 ASN HD22 H 1 7.547 0.002 . 2 . . . . . 40 N HD22 . 28061 1 418 . 1 . 1 40 40 ASN C C 13 174.752 0.000 . 1 . . . . . 40 N C . 28061 1 419 . 1 . 1 40 40 ASN CA C 13 52.072 0.033 . 1 . . . . . 40 N CA . 28061 1 420 . 1 . 1 40 40 ASN CB C 13 40.469 0.197 . 1 . . . . . 40 N CB . 28061 1 421 . 1 . 1 40 40 ASN N N 15 111.607 0.076 . 1 . . . . . 40 N N . 28061 1 422 . 1 . 1 41 41 VAL H H 1 9.316 0.007 . 1 . . . . . 41 V H . 28061 1 423 . 1 . 1 41 41 VAL HA H 1 3.690 0.020 . 1 . . . . . 41 V HA . 28061 1 424 . 1 . 1 41 41 VAL HB H 1 2.059 0.031 . 1 . . . . . 41 V HB . 28061 1 425 . 1 . 1 41 41 VAL HG11 H 1 0.876 0.046 . 1 . . . . . 41 V HG1 . 28061 1 426 . 1 . 1 41 41 VAL HG12 H 1 0.876 0.046 . 1 . . . . . 41 V HG1 . 28061 1 427 . 1 . 1 41 41 VAL HG13 H 1 0.876 0.046 . 1 . . . . . 41 V HG1 . 28061 1 428 . 1 . 1 41 41 VAL HG21 H 1 1.060 0.006 . 1 . . . . . 41 V HG2 . 28061 1 429 . 1 . 1 41 41 VAL HG22 H 1 1.060 0.006 . 1 . . . . . 41 V HG2 . 28061 1 430 . 1 . 1 41 41 VAL HG23 H 1 1.060 0.006 . 1 . . . . . 41 V HG2 . 28061 1 431 . 1 . 1 41 41 VAL C C 13 176.006 0.000 . 1 . . . . . 41 V C . 28061 1 432 . 1 . 1 41 41 VAL CA C 13 65.837 0.058 . 1 . . . . . 41 V CA . 28061 1 433 . 1 . 1 41 41 VAL CB C 13 31.838 0.170 . 1 . . . . . 41 V CB . 28061 1 434 . 1 . 1 41 41 VAL CG1 C 13 21.853 0.065 . 1 . . . . . 41 V CG1 . 28061 1 435 . 1 . 1 41 41 VAL CG2 C 13 24.411 0.075 . 1 . . . . . 41 V CG2 . 28061 1 436 . 1 . 1 41 41 VAL N N 15 120.213 0.062 . 1 . . . . . 41 V N . 28061 1 437 . 1 . 1 42 42 ARG H H 1 8.386 0.007 . 1 . . . . . 42 R H . 28061 1 438 . 1 . 1 42 42 ARG HA H 1 3.742 0.053 . 1 . . . . . 42 R HA . 28061 1 439 . 1 . 1 42 42 ARG HB2 H 1 1.772 0.005 . 2 . . . . . 42 R HB2 . 28061 1 440 . 1 . 1 42 42 ARG HG2 H 1 1.612 0.013 . 2 . . . . . 42 R HG2 . 28061 1 441 . 1 . 1 42 42 ARG HG3 H 1 1.710 0.000 . 2 . . . . . 42 R HG3 . 28061 1 442 . 1 . 1 42 42 ARG HD2 H 1 3.331 0.023 . 2 . . . . . 42 R HD2 . 28061 1 443 . 1 . 1 42 42 ARG HD3 H 1 3.093 0.000 . 2 . . . . . 42 R HD3 . 28061 1 444 . 1 . 1 42 42 ARG C C 13 177.515 0.000 . 1 . . . . . 42 R C . 28061 1 445 . 1 . 1 42 42 ARG CA C 13 59.984 0.196 . 1 . . . . . 42 R CA . 28061 1 446 . 1 . 1 42 42 ARG CB C 13 29.371 0.177 . 1 . . . . . 42 R CB . 28061 1 447 . 1 . 1 42 42 ARG CG C 13 26.460 0.000 . 1 . . . . . 42 R CG . 28061 1 448 . 1 . 1 42 42 ARG CD C 13 43.213 0.120 . 1 . . . . . 42 R CD . 28061 1 449 . 1 . 1 42 42 ARG N N 15 123.270 0.057 . 1 . . . . . 42 R N . 28061 1 450 . 1 . 1 43 43 ASP H H 1 8.286 0.003 . 1 . . . . . 43 D H . 28061 1 451 . 1 . 1 43 43 ASP HA H 1 4.377 0.004 . 1 . . . . . 43 D HA . 28061 1 452 . 1 . 1 43 43 ASP HB2 H 1 2.892 0.012 . 2 . . . . . 43 D HB2 . 28061 1 453 . 1 . 1 43 43 ASP HB3 H 1 2.663 0.125 . 2 . . . . . 43 D HB3 . 28061 1 454 . 1 . 1 43 43 ASP C C 13 178.644 0.000 . 1 . . . . . 43 D C . 28061 1 455 . 1 . 1 43 43 ASP CA C 13 56.863 0.106 . 1 . . . . . 43 D CA . 28061 1 456 . 1 . 1 43 43 ASP CB C 13 39.943 0.174 . 1 . . . . . 43 D CB . 28061 1 457 . 1 . 1 43 43 ASP N N 15 117.733 0.068 . 1 . . . . . 43 D N . 28061 1 458 . 1 . 1 44 44 LEU H H 1 7.635 0.003 . 1 . . . . . 44 L H . 28061 1 459 . 1 . 1 44 44 LEU HD11 H 1 0.802 0.068 . 1 . . . . . 44 L HD1 . 28061 1 460 . 1 . 1 44 44 LEU HD12 H 1 0.802 0.068 . 1 . . . . . 44 L HD1 . 28061 1 461 . 1 . 1 44 44 LEU HD13 H 1 0.802 0.068 . 1 . . . . . 44 L HD1 . 28061 1 462 . 1 . 1 44 44 LEU HD21 H 1 0.845 0.000 . 1 . . . . . 44 L HD2 . 28061 1 463 . 1 . 1 44 44 LEU HD22 H 1 0.845 0.000 . 1 . . . . . 44 L HD2 . 28061 1 464 . 1 . 1 44 44 LEU HD23 H 1 0.845 0.000 . 1 . . . . . 44 L HD2 . 28061 1 465 . 1 . 1 44 44 LEU C C 13 177.138 0.000 . 1 . . . . . 44 L C . 28061 1 466 . 1 . 1 44 44 LEU CA C 13 56.974 0.129 . 1 . . . . . 44 L CA . 28061 1 467 . 1 . 1 44 44 LEU CB C 13 41.501 0.021 . 1 . . . . . 44 L CB . 28061 1 468 . 1 . 1 44 44 LEU CD1 C 13 23.716 0.000 . 1 . . . . . 44 L CD1 . 28061 1 469 . 1 . 1 44 44 LEU CD2 C 13 23.402 0.000 . 1 . . . . . 44 L CD2 . 28061 1 470 . 1 . 1 44 44 LEU N N 15 119.326 0.080 . 1 . . . . . 44 L N . 28061 1 471 . 1 . 1 45 45 LEU H H 1 8.447 0.021 . 1 . . . . . 45 L H . 28061 1 472 . 1 . 1 45 45 LEU HA H 1 3.900 0.007 . 1 . . . . . 45 L HA . 28061 1 473 . 1 . 1 45 45 LEU HB2 H 1 1.982 0.007 . 2 . . . . . 45 L HB2 . 28061 1 474 . 1 . 1 45 45 LEU HD11 H 1 0.730 0.092 . 1 . . . . . 45 L HD1 . 28061 1 475 . 1 . 1 45 45 LEU HD12 H 1 0.730 0.092 . 1 . . . . . 45 L HD1 . 28061 1 476 . 1 . 1 45 45 LEU HD13 H 1 0.730 0.092 . 1 . . . . . 45 L HD1 . 28061 1 477 . 1 . 1 45 45 LEU HD21 H 1 0.756 0.046 . 1 . . . . . 45 L HD2 . 28061 1 478 . 1 . 1 45 45 LEU HD22 H 1 0.756 0.046 . 1 . . . . . 45 L HD2 . 28061 1 479 . 1 . 1 45 45 LEU HD23 H 1 0.756 0.046 . 1 . . . . . 45 L HD2 . 28061 1 480 . 1 . 1 45 45 LEU CA C 13 58.352 0.047 . 1 . . . . . 45 L CA . 28061 1 481 . 1 . 1 45 45 LEU CB C 13 40.764 0.051 . 1 . . . . . 45 L CB . 28061 1 482 . 1 . 1 45 45 LEU CD1 C 13 21.896 0.101 . 1 . . . . . 45 L CD1 . 28061 1 483 . 1 . 1 45 45 LEU CD2 C 13 25.686 0.217 . 1 . . . . . 45 L CD2 . 28061 1 484 . 1 . 1 45 45 LEU N N 15 117.225 0.247 . 1 . . . . . 45 L N . 28061 1 485 . 1 . 1 46 46 ASP H H 1 8.185 0.003 . 1 . . . . . 46 D H . 28061 1 486 . 1 . 1 46 46 ASP HA H 1 4.414 0.011 . 1 . . . . . 46 D HA . 28061 1 487 . 1 . 1 46 46 ASP HB2 H 1 2.828 0.005 . 2 . . . . . 46 D HB2 . 28061 1 488 . 1 . 1 46 46 ASP HB3 H 1 2.661 0.003 . 2 . . . . . 46 D HB3 . 28061 1 489 . 1 . 1 46 46 ASP C C 13 179.131 0.000 . 1 . . . . . 46 D C . 28061 1 490 . 1 . 1 46 46 ASP CA C 13 57.954 0.078 . 1 . . . . . 46 D CA . 28061 1 491 . 1 . 1 46 46 ASP CB C 13 40.935 0.078 . 1 . . . . . 46 D CB . 28061 1 492 . 1 . 1 46 46 ASP N N 15 118.982 0.117 . 1 . . . . . 46 D N . 28061 1 493 . 1 . 1 47 47 ILE H H 1 8.121 0.004 . 1 . . . . . 47 I H . 28061 1 494 . 1 . 1 47 47 ILE HA H 1 3.861 0.009 . 1 . . . . . 47 I HA . 28061 1 495 . 1 . 1 47 47 ILE HB H 1 2.002 0.008 . 1 . . . . . 47 I HB . 28061 1 496 . 1 . 1 47 47 ILE HG12 H 1 1.144 0.005 . 2 . . . . . 47 I HG12 . 28061 1 497 . 1 . 1 47 47 ILE HG13 H 1 1.751 0.007 . 2 . . . . . 47 I HG13 . 28061 1 498 . 1 . 1 47 47 ILE HG21 H 1 0.867 0.007 . 1 . . . . . 47 I HG2 . 28061 1 499 . 1 . 1 47 47 ILE HG22 H 1 0.867 0.007 . 1 . . . . . 47 I HG2 . 28061 1 500 . 1 . 1 47 47 ILE HG23 H 1 0.867 0.007 . 1 . . . . . 47 I HG2 . 28061 1 501 . 1 . 1 47 47 ILE HD11 H 1 0.811 0.005 . 1 . . . . . 47 I HD1 . 28061 1 502 . 1 . 1 47 47 ILE HD12 H 1 0.811 0.005 . 1 . . . . . 47 I HD1 . 28061 1 503 . 1 . 1 47 47 ILE HD13 H 1 0.811 0.005 . 1 . . . . . 47 I HD1 . 28061 1 504 . 1 . 1 47 47 ILE CA C 13 64.687 0.078 . 1 . . . . . 47 I CA . 28061 1 505 . 1 . 1 47 47 ILE CB C 13 37.893 0.078 . 1 . . . . . 47 I CB . 28061 1 506 . 1 . 1 47 47 ILE CG1 C 13 29.642 0.054 . 1 . . . . . 47 I CG1 . 28061 1 507 . 1 . 1 47 47 ILE CG2 C 13 17.354 0.104 . 1 . . . . . 47 I CG2 . 28061 1 508 . 1 . 1 47 47 ILE CD1 C 13 13.941 0.034 . 1 . . . . . 47 I CD1 . 28061 1 509 . 1 . 1 47 47 ILE N N 15 121.699 0.059 . 1 . . . . . 47 I N . 28061 1 510 . 1 . 1 48 48 LEU H H 1 8.413 0.004 . 1 . . . . . 48 L H . 28061 1 511 . 1 . 1 48 48 LEU HA H 1 3.982 0.000 . 1 . . . . . 48 L HA . 28061 1 512 . 1 . 1 48 48 LEU HG H 1 1.919 0.000 . 1 . . . . . 48 L HG . 28061 1 513 . 1 . 1 48 48 LEU HD11 H 1 0.843 0.016 . 1 . . . . . 48 L HD1 . 28061 1 514 . 1 . 1 48 48 LEU HD12 H 1 0.843 0.016 . 1 . . . . . 48 L HD1 . 28061 1 515 . 1 . 1 48 48 LEU HD13 H 1 0.843 0.016 . 1 . . . . . 48 L HD1 . 28061 1 516 . 1 . 1 48 48 LEU HD21 H 1 0.872 0.000 . 1 . . . . . 48 L HD2 . 28061 1 517 . 1 . 1 48 48 LEU HD22 H 1 0.872 0.000 . 1 . . . . . 48 L HD2 . 28061 1 518 . 1 . 1 48 48 LEU HD23 H 1 0.872 0.000 . 1 . . . . . 48 L HD2 . 28061 1 519 . 1 . 1 48 48 LEU C C 13 179.360 0.000 . 1 . . . . . 48 L C . 28061 1 520 . 1 . 1 48 48 LEU CA C 13 58.463 0.051 . 1 . . . . . 48 L CA . 28061 1 521 . 1 . 1 48 48 LEU CB C 13 40.855 0.034 . 1 . . . . . 48 L CB . 28061 1 522 . 1 . 1 48 48 LEU CD1 C 13 24.957 0.000 . 1 . . . . . 48 L CD1 . 28061 1 523 . 1 . 1 48 48 LEU CD2 C 13 26.644 0.000 . 1 . . . . . 48 L CD2 . 28061 1 524 . 1 . 1 48 48 LEU N N 15 119.603 0.064 . 1 . . . . . 48 L N . 28061 1 525 . 1 . 1 49 49 ARG H H 1 8.500 0.004 . 1 . . . . . 49 R H . 28061 1 526 . 1 . 1 49 49 ARG HB3 H 1 2.205 0.004 . 2 . . . . . 49 R HB3 . 28061 1 527 . 1 . 1 49 49 ARG HG3 H 1 1.595 0.000 . 2 . . . . . 49 R HG3 . 28061 1 528 . 1 . 1 49 49 ARG HD2 H 1 3.212 0.000 . 2 . . . . . 49 R HD2 . 28061 1 529 . 1 . 1 49 49 ARG C C 13 180.718 0.000 . 1 . . . . . 49 R C . 28061 1 530 . 1 . 1 49 49 ARG CA C 13 59.280 0.040 . 1 . . . . . 49 R CA . 28061 1 531 . 1 . 1 49 49 ARG CB C 13 29.230 0.181 . 1 . . . . . 49 R CB . 28061 1 532 . 1 . 1 49 49 ARG N N 15 119.699 0.081 . 1 . . . . . 49 R N . 28061 1 533 . 1 . 1 50 50 GLU H H 1 8.427 0.005 . 1 . . . . . 50 E H . 28061 1 534 . 1 . 1 50 50 GLU HA H 1 4.026 0.013 . 1 . . . . . 50 E HA . 28061 1 535 . 1 . 1 50 50 GLU HB2 H 1 2.210 0.065 . 2 . . . . . 50 E HB2 . 28061 1 536 . 1 . 1 50 50 GLU HB3 H 1 2.353 0.000 . 2 . . . . . 50 E HB3 . 28061 1 537 . 1 . 1 50 50 GLU HG2 H 1 2.365 0.005 . 2 . . . . . 50 E HG2 . 28061 1 538 . 1 . 1 50 50 GLU HG3 H 1 2.375 0.007 . 2 . . . . . 50 E HG3 . 28061 1 539 . 1 . 1 50 50 GLU C C 13 178.275 0.000 . 1 . . . . . 50 E C . 28061 1 540 . 1 . 1 50 50 GLU CA C 13 59.330 0.010 . 1 . . . . . 50 E CA . 28061 1 541 . 1 . 1 50 50 GLU CB C 13 29.503 0.062 . 1 . . . . . 50 E CB . 28061 1 542 . 1 . 1 50 50 GLU CG C 13 36.162 0.079 . 1 . . . . . 50 E CG . 28061 1 543 . 1 . 1 50 50 GLU N N 15 122.471 0.040 . 1 . . . . . 50 E N . 28061 1 544 . 1 . 1 51 51 ARG H H 1 7.860 0.006 . 1 . . . . . 51 R H . 28061 1 545 . 1 . 1 51 51 ARG HA H 1 4.374 0.013 . 1 . . . . . 51 R HA . 28061 1 546 . 1 . 1 51 51 ARG HB2 H 1 1.673 0.003 . 2 . . . . . 51 R HB2 . 28061 1 547 . 1 . 1 51 51 ARG HB3 H 1 2.188 0.010 . 2 . . . . . 51 R HB3 . 28061 1 548 . 1 . 1 51 51 ARG HD2 H 1 2.580 0.002 . 2 . . . . . 51 R HD2 . 28061 1 549 . 1 . 1 51 51 ARG HD3 H 1 2.928 0.087 . 2 . . . . . 51 R HD3 . 28061 1 550 . 1 . 1 51 51 ARG C C 13 176.202 0.000 . 1 . . . . . 51 R C . 28061 1 551 . 1 . 1 51 51 ARG CA C 13 55.680 0.067 . 1 . . . . . 51 R CA . 28061 1 552 . 1 . 1 51 51 ARG CB C 13 30.030 0.221 . 1 . . . . . 51 R CB . 28061 1 553 . 1 . 1 51 51 ARG CD C 13 43.453 0.051 . 1 . . . . . 51 R CD . 28061 1 554 . 1 . 1 51 51 ARG N N 15 115.345 0.040 . 1 . . . . . 51 R N . 28061 1 555 . 1 . 1 52 52 GLY H H 1 7.910 0.007 . 1 . . . . . 52 G H . 28061 1 556 . 1 . 1 52 52 GLY HA2 H 1 3.980 0.003 . 2 . . . . . 52 G HA1 . 28061 1 557 . 1 . 1 52 52 GLY HA3 H 1 4.080 0.010 . 2 . . . . . 52 G HA2 . 28061 1 558 . 1 . 1 52 52 GLY C C 13 175.447 0.000 . 1 . . . . . 52 G C . 28061 1 559 . 1 . 1 52 52 GLY CA C 13 46.576 0.126 . 1 . . . . . 52 G CA . 28061 1 560 . 1 . 1 52 52 GLY N N 15 108.468 0.065 . 1 . . . . . 52 G N . 28061 1 561 . 1 . 1 53 53 LYS H H 1 8.323 0.004 . 1 . . . . . 53 K H . 28061 1 562 . 1 . 1 53 53 LYS HA H 1 4.496 0.012 . 1 . . . . . 53 K HA . 28061 1 563 . 1 . 1 53 53 LYS HB2 H 1 1.399 0.008 . 2 . . . . . 53 K HB2 . 28061 1 564 . 1 . 1 53 53 LYS HB3 H 1 1.443 0.004 . 2 . . . . . 53 K HB3 . 28061 1 565 . 1 . 1 53 53 LYS HG2 H 1 1.271 0.002 . 2 . . . . . 53 K HG2 . 28061 1 566 . 1 . 1 53 53 LYS HG3 H 1 1.268 0.012 . 2 . . . . . 53 K HG3 . 28061 1 567 . 1 . 1 53 53 LYS HD2 H 1 1.488 0.011 . 2 . . . . . 53 K HD2 . 28061 1 568 . 1 . 1 53 53 LYS HD3 H 1 1.495 0.007 . 2 . . . . . 53 K HD3 . 28061 1 569 . 1 . 1 53 53 LYS HE3 H 1 2.947 0.021 . 2 . . . . . 53 K HE3 . 28061 1 570 . 1 . 1 53 53 LYS C C 13 184.355 0.000 . 1 . . . . . 53 K C . 28061 1 571 . 1 . 1 53 53 LYS CA C 13 54.149 0.052 . 1 . . . . . 53 K CA . 28061 1 572 . 1 . 1 53 53 LYS CB C 13 33.039 0.067 . 1 . . . . . 53 K CB . 28061 1 573 . 1 . 1 53 53 LYS CG C 13 24.350 0.127 . 1 . . . . . 53 K CG . 28061 1 574 . 1 . 1 53 53 LYS CD C 13 28.654 0.161 . 1 . . . . . 53 K CD . 28061 1 575 . 1 . 1 53 53 LYS N N 15 119.579 0.099 . 1 . . . . . 53 K N . 28061 1 576 . 1 . 1 54 54 LEU H H 1 7.870 0.004 . 1 . . . . . 54 L H . 28061 1 577 . 1 . 1 54 54 LEU HA H 1 4.574 0.106 . 1 . . . . . 54 L HA . 28061 1 578 . 1 . 1 54 54 LEU HB2 H 1 1.830 0.010 . 2 . . . . . 54 L HB2 . 28061 1 579 . 1 . 1 54 54 LEU HB3 H 1 1.632 0.000 . 2 . . . . . 54 L HB3 . 28061 1 580 . 1 . 1 54 54 LEU HG H 1 1.513 0.008 . 1 . . . . . 54 L HG . 28061 1 581 . 1 . 1 54 54 LEU HD11 H 1 0.844 0.008 . 1 . . . . . 54 L HD1 . 28061 1 582 . 1 . 1 54 54 LEU HD12 H 1 0.844 0.008 . 1 . . . . . 54 L HD1 . 28061 1 583 . 1 . 1 54 54 LEU HD13 H 1 0.844 0.008 . 1 . . . . . 54 L HD1 . 28061 1 584 . 1 . 1 54 54 LEU HD21 H 1 0.930 0.001 . 1 . . . . . 54 L HD2 . 28061 1 585 . 1 . 1 54 54 LEU HD22 H 1 0.930 0.001 . 1 . . . . . 54 L HD2 . 28061 1 586 . 1 . 1 54 54 LEU HD23 H 1 0.930 0.001 . 1 . . . . . 54 L HD2 . 28061 1 587 . 1 . 1 54 54 LEU C C 13 176.860 0.000 . 1 . . . . . 54 L C . 28061 1 588 . 1 . 1 54 54 LEU CA C 13 53.161 0.052 . 1 . . . . . 54 L CA . 28061 1 589 . 1 . 1 54 54 LEU CB C 13 43.466 0.067 . 1 . . . . . 54 L CB . 28061 1 590 . 1 . 1 54 54 LEU CG C 13 28.492 0.127 . 1 . . . . . 54 L CG . 28061 1 591 . 1 . 1 54 54 LEU CD1 C 13 24.036 0.053 . 1 . . . . . 54 L CD1 . 28061 1 592 . 1 . 1 54 54 LEU CD2 C 13 26.765 0.031 . 1 . . . . . 54 L CD2 . 28061 1 593 . 1 . 1 54 54 LEU N N 15 119.424 0.039 . 1 . . . . . 54 L N . 28061 1 594 . 1 . 1 55 55 SER H H 1 9.144 0.004 . 1 . . . . . 55 S H . 28061 1 595 . 1 . 1 55 55 SER HA H 1 4.584 0.106 . 1 . . . . . 55 S HA . 28061 1 596 . 1 . 1 55 55 SER HB2 H 1 4.226 0.010 . 2 . . . . . 55 S HB2 . 28061 1 597 . 1 . 1 55 55 SER HB3 H 1 4.056 0.000 . 2 . . . . . 55 S HB3 . 28061 1 598 . 1 . 1 55 55 SER C C 13 175.038 0.000 . 1 . . . . . 55 S C . 28061 1 599 . 1 . 1 55 55 SER CA C 13 58.616 0.170 . 1 . . . . . 55 S CA . 28061 1 600 . 1 . 1 55 55 SER CB C 13 65.364 0.174 . 1 . . . . . 55 S CB . 28061 1 601 . 1 . 1 55 55 SER N N 15 120.190 0.081 . 1 . . . . . 55 S N . 28061 1 602 . 1 . 1 56 56 VAL H H 1 8.658 0.006 . 1 . . . . . 56 V H . 28061 1 603 . 1 . 1 56 56 VAL HA H 1 3.581 0.009 . 1 . . . . . 56 V HA . 28061 1 604 . 1 . 1 56 56 VAL HB H 1 1.988 0.002 . 1 . . . . . 56 V HB . 28061 1 605 . 1 . 1 56 56 VAL HG11 H 1 0.911 0.009 . 1 . . . . . 56 V HG1 . 28061 1 606 . 1 . 1 56 56 VAL HG12 H 1 0.911 0.009 . 1 . . . . . 56 V HG1 . 28061 1 607 . 1 . 1 56 56 VAL HG13 H 1 0.911 0.009 . 1 . . . . . 56 V HG1 . 28061 1 608 . 1 . 1 56 56 VAL HG21 H 1 1.037 0.006 . 1 . . . . . 56 V HG2 . 28061 1 609 . 1 . 1 56 56 VAL HG22 H 1 1.037 0.006 . 1 . . . . . 56 V HG2 . 28061 1 610 . 1 . 1 56 56 VAL HG23 H 1 1.037 0.006 . 1 . . . . . 56 V HG2 . 28061 1 611 . 1 . 1 56 56 VAL C C 13 177.205 0.000 . 1 . . . . . 56 V C . 28061 1 612 . 1 . 1 56 56 VAL CA C 13 67.365 0.074 . 1 . . . . . 56 V CA . 28061 1 613 . 1 . 1 56 56 VAL CB C 13 31.431 0.132 . 1 . . . . . 56 V CB . 28061 1 614 . 1 . 1 56 56 VAL CG1 C 13 21.295 0.078 . 1 . . . . . 56 V CG1 . 28061 1 615 . 1 . 1 56 56 VAL CG2 C 13 22.656 0.068 . 1 . . . . . 56 V CG2 . 28061 1 616 . 1 . 1 56 56 VAL N N 15 120.686 0.084 . 1 . . . . . 56 V N . 28061 1 617 . 1 . 1 57 57 GLY H H 1 8.104 0.007 . 1 . . . . . 57 G H . 28061 1 618 . 1 . 1 57 57 GLY HA2 H 1 3.744 0.003 . 2 . . . . . 57 G HA2 . 28061 1 619 . 1 . 1 57 57 GLY HA3 H 1 3.122 0.009 . 2 . . . . . 57 G HA3 . 28061 1 620 . 1 . 1 57 57 GLY C C 13 174.890 0.000 . 1 . . . . . 57 G C . 28061 1 621 . 1 . 1 57 57 GLY CA C 13 46.245 0.146 . 1 . . . . . 57 G CA . 28061 1 622 . 1 . 1 57 57 GLY N N 15 106.014 0.078 . 1 . . . . . 57 G N . 28061 1 623 . 1 . 1 58 58 ASP H H 1 7.210 0.005 . 1 . . . . . 58 D H . 28061 1 624 . 1 . 1 58 58 ASP HA H 1 4.497 0.002 . 1 . . . . . 58 D HA . 28061 1 625 . 1 . 1 58 58 ASP HB2 H 1 2.736 0.003 . 2 . . . . . 58 D HB2 . 28061 1 626 . 1 . 1 58 58 ASP HB3 H 1 2.818 0.001 . 2 . . . . . 58 D HB3 . 28061 1 627 . 1 . 1 58 58 ASP C C 13 177.696 0.000 . 1 . . . . . 58 D C . 28061 1 628 . 1 . 1 58 58 ASP CA C 13 57.302 0.150 . 1 . . . . . 58 D CA . 28061 1 629 . 1 . 1 58 58 ASP CB C 13 42.061 0.045 . 1 . . . . . 58 D CB . 28061 1 630 . 1 . 1 58 58 ASP N N 15 121.368 0.067 . 1 . . . . . 58 D N . 28061 1 631 . 1 . 1 59 59 LEU H H 1 8.006 0.003 . 1 . . . . . 59 L H . 28061 1 632 . 1 . 1 59 59 LEU HA H 1 4.186 0.114 . 1 . . . . . 59 L HA . 28061 1 633 . 1 . 1 59 59 LEU HG H 1 1.369 0.000 . 1 . . . . . 59 L HG . 28061 1 634 . 1 . 1 59 59 LEU HD21 H 1 0.842 0.007 . 1 . . . . . 59 L HD2 . 28061 1 635 . 1 . 1 59 59 LEU HD22 H 1 0.842 0.007 . 1 . . . . . 59 L HD2 . 28061 1 636 . 1 . 1 59 59 LEU HD23 H 1 0.842 0.007 . 1 . . . . . 59 L HD2 . 28061 1 637 . 1 . 1 59 59 LEU C C 13 178.058 0.000 . 1 . . . . . 59 L C . 28061 1 638 . 1 . 1 59 59 LEU CA C 13 57.441 0.051 . 1 . . . . . 59 L CA . 28061 1 639 . 1 . 1 59 59 LEU CB C 13 41.344 0.062 . 1 . . . . . 59 L CB . 28061 1 640 . 1 . 1 59 59 LEU N N 15 118.772 0.078 . 1 . . . . . 59 L N . 28061 1 641 . 1 . 1 60 60 ALA H H 1 8.616 0.007 . 1 . . . . . 60 A H . 28061 1 642 . 1 . 1 60 60 ALA HA H 1 3.689 0.006 . 1 . . . . . 60 A HA . 28061 1 643 . 1 . 1 60 60 ALA HB1 H 1 1.296 0.005 . 1 . . . . . 60 A HB . 28061 1 644 . 1 . 1 60 60 ALA HB2 H 1 1.296 0.005 . 1 . . . . . 60 A HB . 28061 1 645 . 1 . 1 60 60 ALA HB3 H 1 1.296 0.005 . 1 . . . . . 60 A HB . 28061 1 646 . 1 . 1 60 60 ALA C C 13 179.150 0.000 . 1 . . . . . 60 A C . 28061 1 647 . 1 . 1 60 60 ALA CA C 13 54.686 0.134 . 1 . . . . . 60 A CA . 28061 1 648 . 1 . 1 60 60 ALA CB C 13 18.378 0.060 . 1 . . . . . 60 A CB . 28061 1 649 . 1 . 1 60 60 ALA N N 15 120.669 0.059 . 1 . . . . . 60 A N . 28061 1 650 . 1 . 1 61 61 GLU H H 1 8.095 0.104 . 1 . . . . . 61 E H . 28061 1 651 . 1 . 1 61 61 GLU HA H 1 3.596 0.010 . 1 . . . . . 61 E HA . 28061 1 652 . 1 . 1 61 61 GLU HG3 H 1 2.280 0.083 . 2 . . . . . 61 E HG3 . 28061 1 653 . 1 . 1 61 61 GLU C C 13 178.306 0.000 . 1 . . . . . 61 E C . 28061 1 654 . 1 . 1 61 61 GLU CA C 13 60.321 0.026 . 1 . . . . . 61 E CA . 28061 1 655 . 1 . 1 61 61 GLU CB C 13 28.562 0.062 . 1 . . . . . 61 E CB . 28061 1 656 . 1 . 1 61 61 GLU N N 15 118.348 0.160 . 1 . . . . . 61 E N . 28061 1 657 . 1 . 1 62 62 LEU H H 1 7.871 0.005 . 1 . . . . . 62 L H . 28061 1 658 . 1 . 1 62 62 LEU HA H 1 3.779 0.038 . 1 . . . . . 62 L HA . 28061 1 659 . 1 . 1 62 62 LEU HB2 H 1 1.832 0.053 . 2 . . . . . 62 L HB2 . 28061 1 660 . 1 . 1 62 62 LEU HB3 H 1 1.174 0.018 . 2 . . . . . 62 L HB3 . 28061 1 661 . 1 . 1 62 62 LEU HG H 1 1.963 0.054 . 1 . . . . . 62 L HG . 28061 1 662 . 1 . 1 62 62 LEU HD11 H 1 0.575 0.073 . 1 . . . . . 62 L HD1 . 28061 1 663 . 1 . 1 62 62 LEU HD12 H 1 0.575 0.073 . 1 . . . . . 62 L HD1 . 28061 1 664 . 1 . 1 62 62 LEU HD13 H 1 0.575 0.073 . 1 . . . . . 62 L HD1 . 28061 1 665 . 1 . 1 62 62 LEU HD21 H 1 0.601 0.003 . 1 . . . . . 62 L HD2 . 28061 1 666 . 1 . 1 62 62 LEU HD22 H 1 0.601 0.003 . 1 . . . . . 62 L HD2 . 28061 1 667 . 1 . 1 62 62 LEU HD23 H 1 0.601 0.003 . 1 . . . . . 62 L HD2 . 28061 1 668 . 1 . 1 62 62 LEU C C 13 178.546 0.000 . 1 . . . . . 62 L C . 28061 1 669 . 1 . 1 62 62 LEU CA C 13 58.722 0.143 . 1 . . . . . 62 L CA . 28061 1 670 . 1 . 1 62 62 LEU CB C 13 41.031 0.102 . 1 . . . . . 62 L CB . 28061 1 671 . 1 . 1 62 62 LEU CG C 13 25.689 0.057 . 1 . . . . . 62 L CG . 28061 1 672 . 1 . 1 62 62 LEU CD1 C 13 25.179 0.134 . 1 . . . . . 62 L CD1 . 28061 1 673 . 1 . 1 62 62 LEU CD2 C 13 22.316 0.128 . 1 . . . . . 62 L CD2 . 28061 1 674 . 1 . 1 62 62 LEU N N 15 117.414 0.094 . 1 . . . . . 62 L N . 28061 1 675 . 1 . 1 63 63 LEU H H 1 8.198 0.002 . 1 . . . . . 63 L H . 28061 1 676 . 1 . 1 63 63 LEU HA H 1 3.893 0.010 . 1 . . . . . 63 L HA . 28061 1 677 . 1 . 1 63 63 LEU HB2 H 1 1.640 0.000 . 2 . . . . . 63 L HB2 . 28061 1 678 . 1 . 1 63 63 LEU HB3 H 1 1.140 0.007 . 2 . . . . . 63 L HB3 . 28061 1 679 . 1 . 1 63 63 LEU HG H 1 1.856 0.003 . 1 . . . . . 63 L HG . 28061 1 680 . 1 . 1 63 63 LEU HD11 H 1 0.654 0.000 . 1 . . . . . 63 L HD1 . 28061 1 681 . 1 . 1 63 63 LEU HD12 H 1 0.654 0.000 . 1 . . . . . 63 L HD1 . 28061 1 682 . 1 . 1 63 63 LEU HD13 H 1 0.654 0.000 . 1 . . . . . 63 L HD1 . 28061 1 683 . 1 . 1 63 63 LEU HD21 H 1 0.624 0.012 . 1 . . . . . 63 L HD2 . 28061 1 684 . 1 . 1 63 63 LEU HD22 H 1 0.624 0.012 . 1 . . . . . 63 L HD2 . 28061 1 685 . 1 . 1 63 63 LEU HD23 H 1 0.624 0.012 . 1 . . . . . 63 L HD2 . 28061 1 686 . 1 . 1 63 63 LEU C C 13 178.537 0.000 . 1 . . . . . 63 L C . 28061 1 687 . 1 . 1 63 63 LEU CA C 13 57.456 0.143 . 1 . . . . . 63 L CA . 28061 1 688 . 1 . 1 63 63 LEU CB C 13 41.306 0.102 . 1 . . . . . 63 L CB . 28061 1 689 . 1 . 1 63 63 LEU CG C 13 26.503 0.057 . 1 . . . . . 63 L CG . 28061 1 690 . 1 . 1 63 63 LEU CD2 C 13 24.974 0.000 . 1 . . . . . 63 L CD2 . 28061 1 691 . 1 . 1 63 63 LEU N N 15 115.341 0.070 . 1 . . . . . 63 L N . 28061 1 692 . 1 . 1 64 64 TYR H H 1 8.607 0.003 . 1 . . . . . 64 Y H . 28061 1 693 . 1 . 1 64 64 TYR HA H 1 3.976 0.060 . 1 . . . . . 64 Y HA . 28061 1 694 . 1 . 1 64 64 TYR HB2 H 1 3.061 0.053 . 2 . . . . . 64 Y HB2 . 28061 1 695 . 1 . 1 64 64 TYR HB3 H 1 3.107 0.003 . 2 . . . . . 64 Y HB3 . 28061 1 696 . 1 . 1 64 64 TYR C C 13 179.549 0.000 . 1 . . . . . 64 Y C . 28061 1 697 . 1 . 1 64 64 TYR CA C 13 61.397 0.050 . 1 . . . . . 64 Y CA . 28061 1 698 . 1 . 1 64 64 TYR CB C 13 39.394 0.106 . 1 . . . . . 64 Y CB . 28061 1 699 . 1 . 1 64 64 TYR N N 15 119.859 0.055 . 1 . . . . . 64 Y N . 28061 1 700 . 1 . 1 65 65 ARG H H 1 8.693 0.005 . 1 . . . . . 65 R H . 28061 1 701 . 1 . 1 65 65 ARG HA H 1 4.088 0.063 . 1 . . . . . 65 R HA . 28061 1 702 . 1 . 1 65 65 ARG HB2 H 1 1.537 0.025 . 2 . . . . . 65 R HB2 . 28061 1 703 . 1 . 1 65 65 ARG HG3 H 1 1.627 0.000 . 2 . . . . . 65 R HG3 . 28061 1 704 . 1 . 1 65 65 ARG HD2 H 1 3.106 0.000 . 2 . . . . . 65 R HD2 . 28061 1 705 . 1 . 1 65 65 ARG HD3 H 1 2.988 0.000 . 2 . . . . . 65 R HD3 . 28061 1 706 . 1 . 1 65 65 ARG C C 13 177.798 0.000 . 1 . . . . . 65 R C . 28061 1 707 . 1 . 1 65 65 ARG CA C 13 57.765 0.182 . 1 . . . . . 65 R CA . 28061 1 708 . 1 . 1 65 65 ARG CB C 13 29.901 0.042 . 1 . . . . . 65 R CB . 28061 1 709 . 1 . 1 65 65 ARG N N 15 118.694 0.084 . 1 . . . . . 65 R N . 28061 1 710 . 1 . 1 66 66 VAL H H 1 7.260 0.003 . 1 . . . . . 66 V H . 28061 1 711 . 1 . 1 66 66 VAL HA H 1 4.507 0.008 . 1 . . . . . 66 V HA . 28061 1 712 . 1 . 1 66 66 VAL HB H 1 2.469 0.009 . 1 . . . . . 66 V HB . 28061 1 713 . 1 . 1 66 66 VAL HG11 H 1 0.904 0.007 . 1 . . . . . 66 V HG1 . 28061 1 714 . 1 . 1 66 66 VAL HG12 H 1 0.904 0.007 . 1 . . . . . 66 V HG1 . 28061 1 715 . 1 . 1 66 66 VAL HG13 H 1 0.904 0.007 . 1 . . . . . 66 V HG1 . 28061 1 716 . 1 . 1 66 66 VAL HG21 H 1 0.926 0.008 . 1 . . . . . 66 V HG2 . 28061 1 717 . 1 . 1 66 66 VAL HG22 H 1 0.926 0.008 . 1 . . . . . 66 V HG2 . 28061 1 718 . 1 . 1 66 66 VAL HG23 H 1 0.926 0.008 . 1 . . . . . 66 V HG2 . 28061 1 719 . 1 . 1 66 66 VAL C C 13 173.550 0.000 . 1 . . . . . 66 V C . 28061 1 720 . 1 . 1 66 66 VAL CA C 13 60.945 0.131 . 1 . . . . . 66 V CA . 28061 1 721 . 1 . 1 66 66 VAL CB C 13 30.614 0.087 . 1 . . . . . 66 V CB . 28061 1 722 . 1 . 1 66 66 VAL CG1 C 13 19.085 0.097 . 1 . . . . . 66 V CG1 . 28061 1 723 . 1 . 1 66 66 VAL CG2 C 13 21.712 0.033 . 1 . . . . . 66 V CG2 . 28061 1 724 . 1 . 1 66 66 VAL N N 15 107.802 0.079 . 1 . . . . . 66 V N . 28061 1 725 . 1 . 1 67 67 ARG H H 1 7.447 0.008 . 1 . . . . . 67 R H . 28061 1 726 . 1 . 1 67 67 ARG HA H 1 2.903 0.006 . 1 . . . . . 67 R HA . 28061 1 727 . 1 . 1 67 67 ARG HB2 H 1 1.387 0.000 . 2 . . . . . 67 R HB2 . 28061 1 728 . 1 . 1 67 67 ARG HB3 H 1 1.808 0.000 . 2 . . . . . 67 R HB3 . 28061 1 729 . 1 . 1 67 67 ARG HG2 H 1 1.385 0.008 . 2 . . . . . 67 R HG2 . 28061 1 730 . 1 . 1 67 67 ARG HD2 H 1 3.216 0.010 . 2 . . . . . 67 R HD2 . 28061 1 731 . 1 . 1 67 67 ARG HD3 H 1 2.680 0.000 . 2 . . . . . 67 R HD3 . 28061 1 732 . 1 . 1 67 67 ARG C C 13 177.400 0.000 . 1 . . . . . 67 R C . 28061 1 733 . 1 . 1 67 67 ARG CA C 13 56.603 0.061 . 1 . . . . . 67 R CA . 28061 1 734 . 1 . 1 67 67 ARG CB C 13 26.377 0.076 . 1 . . . . . 67 R CB . 28061 1 735 . 1 . 1 67 67 ARG CG C 13 27.751 0.107 . 1 . . . . . 67 R CG . 28061 1 736 . 1 . 1 67 67 ARG CD C 13 43.502 0.044 . 1 . . . . . 67 R CD . 28061 1 737 . 1 . 1 67 67 ARG N N 15 114.852 0.095 . 1 . . . . . 67 R N . 28061 1 738 . 1 . 1 68 68 ARG H H 1 7.795 0.007 . 1 . . . . . 68 R H . 28061 1 739 . 1 . 1 68 68 ARG HA H 1 4.910 0.000 . 1 . . . . . 68 R HA . 28061 1 740 . 1 . 1 68 68 ARG HB3 H 1 1.823 0.000 . 2 . . . . . 68 R HB3 . 28061 1 741 . 1 . 1 68 68 ARG HD2 H 1 2.806 0.016 . 2 . . . . . 68 R HD2 . 28061 1 742 . 1 . 1 68 68 ARG HD3 H 1 2.923 0.000 . 2 . . . . . 68 R HD3 . 28061 1 743 . 1 . 1 68 68 ARG C C 13 177.137 0.000 . 1 . . . . . 68 R C . 28061 1 744 . 1 . 1 68 68 ARG CA C 13 49.654 0.114 . 1 . . . . . 68 R CA . 28061 1 745 . 1 . 1 68 68 ARG CB C 13 25.640 0.108 . 1 . . . . . 68 R CB . 28061 1 746 . 1 . 1 68 68 ARG N N 15 118.791 0.095 . 1 . . . . . 68 R N . 28061 1 747 . 1 . 1 69 69 PHE H H 1 7.493 0.008 . 1 . . . . . 69 F H . 28061 1 748 . 1 . 1 69 69 PHE HA H 1 4.190 0.013 . 1 . . . . . 69 F HA . 28061 1 749 . 1 . 1 69 69 PHE HB2 H 1 3.436 0.022 . 2 . . . . . 69 F HB2 . 28061 1 750 . 1 . 1 69 69 PHE HB3 H 1 3.008 0.008 . 2 . . . . . 69 F HB3 . 28061 1 751 . 1 . 1 69 69 PHE C C 13 177.832 0.000 . 1 . . . . . 69 F C . 28061 1 752 . 1 . 1 69 69 PHE CA C 13 60.007 0.079 . 1 . . . . . 69 F CA . 28061 1 753 . 1 . 1 69 69 PHE CB C 13 37.709 0.122 . 1 . . . . . 69 F CB . 28061 1 754 . 1 . 1 69 69 PHE N N 15 122.139 0.064 . 1 . . . . . 69 F N . 28061 1 755 . 1 . 1 70 70 ASP H H 1 9.560 0.003 . 1 . . . . . 70 D H . 28061 1 756 . 1 . 1 70 70 ASP HA H 1 4.379 0.005 . 1 . . . . . 70 D HA . 28061 1 757 . 1 . 1 70 70 ASP HB2 H 1 2.620 0.021 . 2 . . . . . 70 D HB2 . 28061 1 758 . 1 . 1 70 70 ASP HB3 H 1 2.976 0.005 . 2 . . . . . 70 D HB3 . 28061 1 759 . 1 . 1 70 70 ASP C C 13 178.544 0.000 . 1 . . . . . 70 D C . 28061 1 760 . 1 . 1 70 70 ASP CA C 13 56.237 0.142 . 1 . . . . . 70 D CA . 28061 1 761 . 1 . 1 70 70 ASP CB C 13 38.366 0.112 . 1 . . . . . 70 D CB . 28061 1 762 . 1 . 1 70 70 ASP N N 15 120.093 0.064 . 1 . . . . . 70 D N . 28061 1 763 . 1 . 1 71 71 LEU H H 1 7.533 0.026 . 1 . . . . . 71 L H . 28061 1 764 . 1 . 1 71 71 LEU HA H 1 4.076 0.009 . 1 . . . . . 71 L HA . 28061 1 765 . 1 . 1 71 71 LEU HB2 H 1 1.231 0.160 . 2 . . . . . 71 L HB2 . 28061 1 766 . 1 . 1 71 71 LEU HB3 H 1 1.740 0.089 . 2 . . . . . 71 L HB3 . 28061 1 767 . 1 . 1 71 71 LEU HG H 1 1.762 0.007 . 1 . . . . . 71 L HG . 28061 1 768 . 1 . 1 71 71 LEU HD21 H 1 0.723 0.008 . 1 . . . . . 71 L HD2 . 28061 1 769 . 1 . 1 71 71 LEU HD22 H 1 0.723 0.008 . 1 . . . . . 71 L HD2 . 28061 1 770 . 1 . 1 71 71 LEU HD23 H 1 0.723 0.008 . 1 . . . . . 71 L HD2 . 28061 1 771 . 1 . 1 71 71 LEU C C 13 179.198 0.007 . 1 . . . . . 71 L C . 28061 1 772 . 1 . 1 71 71 LEU CA C 13 56.755 0.007 . 1 . . . . . 71 L CA . 28061 1 773 . 1 . 1 71 71 LEU CB C 13 41.638 0.007 . 1 . . . . . 71 L CB . 28061 1 774 . 1 . 1 71 71 LEU CG C 13 26.784 0.060 . 1 . . . . . 71 L CG . 28061 1 775 . 1 . 1 71 71 LEU CD2 C 13 21.332 0.064 . 1 . . . . . 71 L CD2 . 28061 1 776 . 1 . 1 71 71 LEU N N 15 121.281 0.071 . 1 . . . . . 71 L N . 28061 1 777 . 1 . 1 72 72 LEU H H 1 7.792 0.004 . 1 . . . . . 72 L H . 28061 1 778 . 1 . 1 72 72 LEU HA H 1 3.729 0.025 . 1 . . . . . 72 L HA . 28061 1 779 . 1 . 1 72 72 LEU HB2 H 1 1.932 0.001 . 2 . . . . . 72 L HB2 . 28061 1 780 . 1 . 1 72 72 LEU HB3 H 1 1.699 0.000 . 2 . . . . . 72 L HB3 . 28061 1 781 . 1 . 1 72 72 LEU HG H 1 1.679 0.010 . 1 . . . . . 72 L HG . 28061 1 782 . 1 . 1 72 72 LEU HD11 H 1 0.763 0.001 . 1 . . . . . 72 L HD1 . 28061 1 783 . 1 . 1 72 72 LEU HD12 H 1 0.763 0.001 . 1 . . . . . 72 L HD1 . 28061 1 784 . 1 . 1 72 72 LEU HD13 H 1 0.763 0.001 . 1 . . . . . 72 L HD1 . 28061 1 785 . 1 . 1 72 72 LEU HD21 H 1 1.030 0.010 . 1 . . . . . 72 L HD2 . 28061 1 786 . 1 . 1 72 72 LEU HD22 H 1 1.030 0.010 . 1 . . . . . 72 L HD2 . 28061 1 787 . 1 . 1 72 72 LEU HD23 H 1 1.030 0.010 . 1 . . . . . 72 L HD2 . 28061 1 788 . 1 . 1 72 72 LEU C C 13 178.177 0.000 . 1 . . . . . 72 L C . 28061 1 789 . 1 . 1 72 72 LEU CA C 13 58.732 0.129 . 1 . . . . . 72 L CA . 28061 1 790 . 1 . 1 72 72 LEU CB C 13 42.072 0.048 . 1 . . . . . 72 L CB . 28061 1 791 . 1 . 1 72 72 LEU CG C 13 26.710 0.130 . 1 . . . . . 72 L CG . 28061 1 792 . 1 . 1 72 72 LEU CD1 C 13 25.519 0.137 . 1 . . . . . 72 L CD1 . 28061 1 793 . 1 . 1 72 72 LEU CD2 C 13 25.613 0.075 . 1 . . . . . 72 L CD2 . 28061 1 794 . 1 . 1 72 72 LEU N N 15 120.572 0.056 . 1 . . . . . 72 L N . 28061 1 795 . 1 . 1 73 73 LYS H H 1 7.354 0.010 . 1 . . . . . 73 K H . 28061 1 796 . 1 . 1 73 73 LYS HA H 1 4.125 0.012 . 1 . . . . . 73 K HA . 28061 1 797 . 1 . 1 73 73 LYS HB2 H 1 1.927 0.000 . 2 . . . . . 73 K HB2 . 28061 1 798 . 1 . 1 73 73 LYS HB3 H 1 1.708 0.000 . 2 . . . . . 73 K HB3 . 28061 1 799 . 1 . 1 73 73 LYS HG2 H 1 1.437 0.012 . 2 . . . . . 73 K HG2 . 28061 1 800 . 1 . 1 73 73 LYS HG3 H 1 1.407 0.000 . 2 . . . . . 73 K HG3 . 28061 1 801 . 1 . 1 73 73 LYS C C 13 178.911 0.000 . 1 . . . . . 73 K C . 28061 1 802 . 1 . 1 73 73 LYS CA C 13 59.305 0.120 . 1 . . . . . 73 K CA . 28061 1 803 . 1 . 1 73 73 LYS CB C 13 32.673 0.146 . 1 . . . . . 73 K CB . 28061 1 804 . 1 . 1 73 73 LYS CG C 13 24.850 0.078 . 1 . . . . . 73 K CG . 28061 1 805 . 1 . 1 73 73 LYS N N 15 117.356 0.085 . 1 . . . . . 73 K N . 28061 1 806 . 1 . 1 74 74 ARG H H 1 8.291 0.003 . 1 . . . . . 74 R H . 28061 1 807 . 1 . 1 74 74 ARG HA H 1 4.066 0.010 . 1 . . . . . 74 R HA . 28061 1 808 . 1 . 1 74 74 ARG HB2 H 1 1.954 0.037 . 2 . . . . . 74 R HB2 . 28061 1 809 . 1 . 1 74 74 ARG HB3 H 1 1.746 0.053 . 2 . . . . . 74 R HB3 . 28061 1 810 . 1 . 1 74 74 ARG HD2 H 1 2.441 0.000 . 2 . . . . . 74 R HD2 . 28061 1 811 . 1 . 1 74 74 ARG C C 13 177.279 0.000 . 1 . . . . . 74 R C . 28061 1 812 . 1 . 1 74 74 ARG CA C 13 59.507 0.167 . 1 . . . . . 74 R CA . 28061 1 813 . 1 . 1 74 74 ARG CB C 13 31.691 0.192 . 1 . . . . . 74 R CB . 28061 1 814 . 1 . 1 74 74 ARG CD C 13 43.699 0.000 . 1 . . . . . 74 R CD . 28061 1 815 . 1 . 1 74 74 ARG N N 15 117.633 0.089 . 1 . . . . . 74 R N . 28061 1 816 . 1 . 1 75 75 ILE H H 1 8.541 0.008 . 1 . . . . . 75 I H . 28061 1 817 . 1 . 1 75 75 ILE HA H 1 4.030 0.010 . 1 . . . . . 75 I HA . 28061 1 818 . 1 . 1 75 75 ILE HB H 1 1.742 0.010 . 1 . . . . . 75 I HB . 28061 1 819 . 1 . 1 75 75 ILE HG12 H 1 1.537 0.004 . 2 . . . . . 75 I HG12 . 28061 1 820 . 1 . 1 75 75 ILE HG13 H 1 1.091 0.006 . 2 . . . . . 75 I HG13 . 28061 1 821 . 1 . 1 75 75 ILE HG21 H 1 0.809 0.004 . 1 . . . . . 75 I HG2 . 28061 1 822 . 1 . 1 75 75 ILE HG22 H 1 0.809 0.004 . 1 . . . . . 75 I HG2 . 28061 1 823 . 1 . 1 75 75 ILE HG23 H 1 0.809 0.004 . 1 . . . . . 75 I HG2 . 28061 1 824 . 1 . 1 75 75 ILE HD11 H 1 0.718 0.006 . 1 . . . . . 75 I HD1 . 28061 1 825 . 1 . 1 75 75 ILE HD12 H 1 0.718 0.006 . 1 . . . . . 75 I HD1 . 28061 1 826 . 1 . 1 75 75 ILE HD13 H 1 0.718 0.006 . 1 . . . . . 75 I HD1 . 28061 1 827 . 1 . 1 75 75 ILE C C 13 176.916 0.000 . 1 . . . . . 75 I C . 28061 1 828 . 1 . 1 75 75 ILE CA C 13 63.351 0.160 . 1 . . . . . 75 I CA . 28061 1 829 . 1 . 1 75 75 ILE CB C 13 38.225 0.192 . 1 . . . . . 75 I CB . 28061 1 830 . 1 . 1 75 75 ILE CG1 C 13 28.128 0.122 . 1 . . . . . 75 I CG1 . 28061 1 831 . 1 . 1 75 75 ILE CG2 C 13 17.667 0.097 . 1 . . . . . 75 I CG2 . 28061 1 832 . 1 . 1 75 75 ILE CD1 C 13 14.082 0.104 . 1 . . . . . 75 I CD1 . 28061 1 833 . 1 . 1 75 75 ILE N N 15 114.409 0.058 . 1 . . . . . 75 I N . 28061 1 834 . 1 . 1 76 76 LEU H H 1 6.517 0.011 . 1 . . . . . 76 L H . 28061 1 835 . 1 . 1 76 76 LEU HA H 1 4.453 0.006 . 1 . . . . . 76 L HA . 28061 1 836 . 1 . 1 76 76 LEU HB2 H 1 1.963 0.005 . 2 . . . . . 76 L HB2 . 28061 1 837 . 1 . 1 76 76 LEU HB3 H 1 1.738 0.000 . 2 . . . . . 76 L HB3 . 28061 1 838 . 1 . 1 76 76 LEU HG H 1 1.725 0.000 . 1 . . . . . 76 L HG . 28061 1 839 . 1 . 1 76 76 LEU HD11 H 1 0.816 0.008 . 1 . . . . . 76 L HD1 . 28061 1 840 . 1 . 1 76 76 LEU HD12 H 1 0.816 0.008 . 1 . . . . . 76 L HD1 . 28061 1 841 . 1 . 1 76 76 LEU HD13 H 1 0.816 0.008 . 1 . . . . . 76 L HD1 . 28061 1 842 . 1 . 1 76 76 LEU HD21 H 1 0.667 0.000 . 1 . . . . . 76 L HD2 . 28061 1 843 . 1 . 1 76 76 LEU HD22 H 1 0.667 0.000 . 1 . . . . . 76 L HD2 . 28061 1 844 . 1 . 1 76 76 LEU HD23 H 1 0.667 0.000 . 1 . . . . . 76 L HD2 . 28061 1 845 . 1 . 1 76 76 LEU C C 13 175.561 0.000 . 1 . . . . . 76 L C . 28061 1 846 . 1 . 1 76 76 LEU CA C 13 54.356 0.060 . 1 . . . . . 76 L CA . 28061 1 847 . 1 . 1 76 76 LEU CB C 13 42.614 0.131 . 1 . . . . . 76 L CB . 28061 1 848 . 1 . 1 76 76 LEU CD1 C 13 23.086 0.057 . 1 . . . . . 76 L CD1 . 28061 1 849 . 1 . 1 76 76 LEU N N 15 114.367 0.071 . 1 . . . . . 76 L N . 28061 1 850 . 1 . 1 77 77 LYS H H 1 7.322 0.002 . 1 . . . . . 77 K H . 28061 1 851 . 1 . 1 77 77 LYS HA H 1 4.241 0.008 . 1 . . . . . 77 K HA . 28061 1 852 . 1 . 1 77 77 LYS HB2 H 1 2.054 0.003 . 2 . . . . . 77 K HB2 . 28061 1 853 . 1 . 1 77 77 LYS HB3 H 1 1.906 0.008 . 2 . . . . . 77 K HB3 . 28061 1 854 . 1 . 1 77 77 LYS HG2 H 1 1.271 0.000 . 2 . . . . . 77 K HG2 . 28061 1 855 . 1 . 1 77 77 LYS HG3 H 1 1.299 0.003 . 1 . . . . . 77 K HG3 . 28061 1 856 . 1 . 1 77 77 LYS HD2 H 1 1.422 0.014 . 1 . . . . . 77 K HD . 28061 1 857 . 1 . 1 77 77 LYS HD3 H 1 1.422 0.104 . 1 . . . . . 77 K HD . 28061 1 858 . 1 . 1 77 77 LYS C C 13 175.750 0.000 . 1 . . . . . 77 K C . 28061 1 859 . 1 . 1 77 77 LYS CA C 13 56.774 0.124 . 1 . . . . . 77 K CA . 28061 1 860 . 1 . 1 77 77 LYS CB C 13 28.533 0.071 . 1 . . . . . 77 K CB . 28061 1 861 . 1 . 1 77 77 LYS N N 15 115.473 0.083 . 1 . . . . . 77 K N . 28061 1 862 . 1 . 1 78 78 MET H H 1 7.754 0.006 . 1 . . . . . 78 M H . 28061 1 863 . 1 . 1 78 78 MET HA H 1 4.681 0.007 . 1 . . . . . 78 M HA . 28061 1 864 . 1 . 1 78 78 MET HB2 H 1 1.923 0.006 . 2 . . . . . 78 M HB2 . 28061 1 865 . 1 . 1 78 78 MET HB3 H 1 1.428 0.009 . 2 . . . . . 78 M HB3 . 28061 1 866 . 1 . 1 78 78 MET HG2 H 1 2.421 0.011 . 2 . . . . . 78 M HG2 . 28061 1 867 . 1 . 1 78 78 MET HG3 H 1 2.332 0.006 . 2 . . . . . 78 M HG3 . 28061 1 868 . 1 . 1 78 78 MET HE1 H 1 1.802 0.007 . 1 . . . . . 78 M HE . 28061 1 869 . 1 . 1 78 78 MET HE2 H 1 1.802 0.007 . 1 . . . . . 78 M HE . 28061 1 870 . 1 . 1 78 78 MET HE3 H 1 1.802 0.007 . 1 . . . . . 78 M HE . 28061 1 871 . 1 . 1 78 78 MET C C 13 179.307 0.000 . 1 . . . . . 78 M C . 28061 1 872 . 1 . 1 78 78 MET CA C 13 54.776 0.084 . 1 . . . . . 78 M CA . 28061 1 873 . 1 . 1 78 78 MET CB C 13 37.895 0.076 . 1 . . . . . 78 M CB . 28061 1 874 . 1 . 1 78 78 MET CG C 13 31.795 0.065 . 1 . . . . . 78 M CG . 28061 1 875 . 1 . 1 78 78 MET CE C 13 16.853 0.087 . 1 . . . . . 78 M CE . 28061 1 876 . 1 . 1 78 78 MET N N 15 117.372 0.090 . 1 . . . . . 78 M N . 28061 1 877 . 1 . 1 79 79 ASP H H 1 7.641 0.002 . 1 . . . . . 79 D H . 28061 1 878 . 1 . 1 79 79 ASP HA H 1 4.727 0.038 . 1 . . . . . 79 D HA . 28061 1 879 . 1 . 1 79 79 ASP HB2 H 1 3.028 0.014 . 2 . . . . . 79 D HB2 . 28061 1 880 . 1 . 1 79 79 ASP HB3 H 1 2.713 0.011 . 2 . . . . . 79 D HB3 . 28061 1 881 . 1 . 1 79 79 ASP C C 13 175.911 0.000 . 1 . . . . . 79 D C . 28061 1 882 . 1 . 1 79 79 ASP CA C 13 51.532 0.047 . 1 . . . . . 79 D CA . 28061 1 883 . 1 . 1 79 79 ASP CB C 13 42.654 0.068 . 1 . . . . . 79 D CB . 28061 1 884 . 1 . 1 79 79 ASP N N 15 118.349 0.092 . 1 . . . . . 79 D N . 28061 1 885 . 1 . 1 80 80 ARG H H 1 8.583 0.004 . 1 . . . . . 80 R H . 28061 1 886 . 1 . 1 80 80 ARG HA H 1 4.159 0.000 . 1 . . . . . 80 R HA . 28061 1 887 . 1 . 1 80 80 ARG HB2 H 1 1.876 0.000 . 2 . . . . . 80 R HB2 . 28061 1 888 . 1 . 1 80 80 ARG HB3 H 1 1.691 0.013 . 2 . . . . . 80 R HB3 . 28061 1 889 . 1 . 1 80 80 ARG HG2 H 1 1.472 0.108 . 2 . . . . . 80 R HG2 . 28061 1 890 . 1 . 1 80 80 ARG HG3 H 1 1.450 0.001 . 2 . . . . . 80 R HG3 . 28061 1 891 . 1 . 1 80 80 ARG HD2 H 1 2.715 0.108 . 2 . . . . . 80 R HD2 . 28061 1 892 . 1 . 1 80 80 ARG HD3 H 1 2.635 0.002 . 2 . . . . . 80 R HD3 . 28061 1 893 . 1 . 1 80 80 ARG C C 13 177.611 0.000 . 1 . . . . . 80 R C . 28061 1 894 . 1 . 1 80 80 ARG CA C 13 60.515 0.034 . 1 . . . . . 80 R CA . 28061 1 895 . 1 . 1 80 80 ARG CB C 13 30.170 0.159 . 1 . . . . . 80 R CB . 28061 1 896 . 1 . 1 80 80 ARG CG C 13 27.296 0.090 . 1 . . . . . 80 R CG . 28061 1 897 . 1 . 1 80 80 ARG CD C 13 43.461 0.050 . 1 . . . . . 80 R CD . 28061 1 898 . 1 . 1 80 80 ARG N N 15 119.449 0.098 . 1 . . . . . 80 R N . 28061 1 899 . 1 . 1 81 81 LYS H H 1 8.149 0.003 . 1 . . . . . 81 K H . 28061 1 900 . 1 . 1 81 81 LYS HA H 1 4.079 0.017 . 1 . . . . . 81 K HA . 28061 1 901 . 1 . 1 81 81 LYS HB2 H 1 1.846 0.000 . 2 . . . . . 81 K HB2 . 28061 1 902 . 1 . 1 81 81 LYS HG2 H 1 1.440 0.000 . 2 . . . . . 81 K HG2 . 28061 1 903 . 1 . 1 81 81 LYS HG3 H 1 1.449 0.000 . 2 . . . . . 81 K HG3 . 28061 1 904 . 1 . 1 81 81 LYS HD3 H 1 1.685 0.003 . 2 . . . . . 81 K HD3 . 28061 1 905 . 1 . 1 81 81 LYS HE2 H 1 3.115 0.003 . 2 . . . . . 81 K HE2 . 28061 1 906 . 1 . 1 81 81 LYS HE3 H 1 3.101 0.002 . 2 . . . . . 81 K HE3 . 28061 1 907 . 1 . 1 81 81 LYS C C 13 179.038 0.000 . 1 . . . . . 81 K C . 28061 1 908 . 1 . 1 81 81 LYS CA C 13 59.159 0.131 . 1 . . . . . 81 K CA . 28061 1 909 . 1 . 1 81 81 LYS CB C 13 31.538 0.099 . 1 . . . . . 81 K CB . 28061 1 910 . 1 . 1 81 81 LYS CG C 13 24.936 0.103 . 1 . . . . . 81 K CG . 28061 1 911 . 1 . 1 81 81 LYS CD C 13 29.164 0.061 . 1 . . . . . 81 K CD . 28061 1 912 . 1 . 1 81 81 LYS CE C 13 43.911 0.000 . 1 . . . . . 81 K CE . 28061 1 913 . 1 . 1 81 81 LYS N N 15 118.385 0.036 . 1 . . . . . 81 K N . 28061 1 914 . 1 . 1 82 82 ALA H H 1 8.038 0.002 . 1 . . . . . 82 A H . 28061 1 915 . 1 . 1 82 82 ALA HA H 1 4.180 0.008 . 1 . . . . . 82 A HA . 28061 1 916 . 1 . 1 82 82 ALA HB1 H 1 1.595 0.005 . 1 . . . . . 82 A HB . 28061 1 917 . 1 . 1 82 82 ALA HB2 H 1 1.595 0.005 . 1 . . . . . 82 A HB . 28061 1 918 . 1 . 1 82 82 ALA HB3 H 1 1.595 0.005 . 1 . . . . . 82 A HB . 28061 1 919 . 1 . 1 82 82 ALA C C 13 181.509 0.000 . 1 . . . . . 82 A C . 28061 1 920 . 1 . 1 82 82 ALA CA C 13 55.178 0.111 . 1 . . . . . 82 A CA . 28061 1 921 . 1 . 1 82 82 ALA CB C 13 18.518 0.058 . 1 . . . . . 82 A CB . 28061 1 922 . 1 . 1 82 82 ALA N N 15 122.393 0.055 . 1 . . . . . 82 A N . 28061 1 923 . 1 . 1 83 83 VAL H H 1 7.739 0.003 . 1 . . . . . 83 V H . 28061 1 924 . 1 . 1 83 83 VAL HA H 1 3.616 0.013 . 1 . . . . . 83 V HA . 28061 1 925 . 1 . 1 83 83 VAL HB H 1 1.943 0.007 . 1 . . . . . 83 V HB . 28061 1 926 . 1 . 1 83 83 VAL HG11 H 1 0.680 0.012 . 1 . . . . . 83 V HG1 . 28061 1 927 . 1 . 1 83 83 VAL HG12 H 1 0.680 0.012 . 1 . . . . . 83 V HG1 . 28061 1 928 . 1 . 1 83 83 VAL HG13 H 1 0.680 0.012 . 1 . . . . . 83 V HG1 . 28061 1 929 . 1 . 1 83 83 VAL HG21 H 1 1.008 0.011 . 1 . . . . . 83 V HG2 . 28061 1 930 . 1 . 1 83 83 VAL HG22 H 1 1.008 0.011 . 1 . . . . . 83 V HG2 . 28061 1 931 . 1 . 1 83 83 VAL HG23 H 1 1.008 0.011 . 1 . . . . . 83 V HG2 . 28061 1 932 . 1 . 1 83 83 VAL C C 13 174.390 0.000 . 1 . . . . . 83 V C . 28061 1 933 . 1 . 1 83 83 VAL CA C 13 66.015 0.180 . 1 . . . . . 83 V CA . 28061 1 934 . 1 . 1 83 83 VAL CB C 13 31.291 0.192 . 1 . . . . . 83 V CB . 28061 1 935 . 1 . 1 83 83 VAL CG1 C 13 21.200 0.162 . 1 . . . . . 83 V CG1 . 28061 1 936 . 1 . 1 83 83 VAL CG2 C 13 24.399 0.185 . 1 . . . . . 83 V CG2 . 28061 1 937 . 1 . 1 83 83 VAL N N 15 118.843 0.052 . 1 . . . . . 83 V N . 28061 1 938 . 1 . 1 84 84 GLU H H 1 8.426 0.002 . 1 . . . . . 84 E H . 28061 1 939 . 1 . 1 84 84 GLU HA H 1 3.603 0.010 . 1 . . . . . 84 E HA . 28061 1 940 . 1 . 1 84 84 GLU HB2 H 1 1.931 0.028 . 2 . . . . . 84 E HB2 . 28061 1 941 . 1 . 1 84 84 GLU HB3 H 1 2.191 0.009 . 2 . . . . . 84 E HB3 . 28061 1 942 . 1 . 1 84 84 GLU HG2 H 1 2.484 0.002 . 2 . . . . . 84 E HG2 . 28061 1 943 . 1 . 1 84 84 GLU C C 13 179.675 0.000 . 1 . . . . . 84 E C . 28061 1 944 . 1 . 1 84 84 GLU CA C 13 60.291 0.180 . 1 . . . . . 84 E CA . 28061 1 945 . 1 . 1 84 84 GLU CB C 13 28.160 0.192 . 1 . . . . . 84 E CB . 28061 1 946 . 1 . 1 84 84 GLU CG C 13 37.192 0.120 . 1 . . . . . 84 E CG . 28061 1 947 . 1 . 1 84 84 GLU N N 15 121.048 0.105 . 1 . . . . . 84 E N . 28061 1 948 . 1 . 1 85 85 THR H H 1 8.301 0.002 . 1 . . . . . 85 T H . 28061 1 949 . 1 . 1 85 85 THR HA H 1 3.889 0.009 . 1 . . . . . 85 T HA . 28061 1 950 . 1 . 1 85 85 THR HB H 1 4.223 0.007 . 1 . . . . . 85 T HB . 28061 1 951 . 1 . 1 85 85 THR HG21 H 1 1.225 0.009 . 1 . . . . . 85 T HG2 . 28061 1 952 . 1 . 1 85 85 THR HG22 H 1 1.225 0.009 . 1 . . . . . 85 T HG2 . 28061 1 953 . 1 . 1 85 85 THR HG23 H 1 1.225 0.009 . 1 . . . . . 85 T HG2 . 28061 1 954 . 1 . 1 85 85 THR C C 13 175.857 0.000 . 1 . . . . . 85 T C . 28061 1 955 . 1 . 1 85 85 THR CA C 13 67.047 0.276 . 1 . . . . . 85 T CA . 28061 1 956 . 1 . 1 85 85 THR CB C 13 68.664 0.111 . 1 . . . . . 85 T CB . 28061 1 957 . 1 . 1 85 85 THR CG2 C 13 21.560 0.042 . 1 . . . . . 85 T CG2 . 28061 1 958 . 1 . 1 85 85 THR N N 15 116.507 0.064 . 1 . . . . . 85 T N . 28061 1 959 . 1 . 1 86 86 HIS H H 1 7.594 0.004 . 1 . . . . . 86 H H . 28061 1 960 . 1 . 1 86 86 HIS HA H 1 4.169 0.010 . 1 . . . . . 86 H HA . 28061 1 961 . 1 . 1 86 86 HIS HB2 H 1 3.443 0.016 . 2 . . . . . 86 H HB2 . 28061 1 962 . 1 . 1 86 86 HIS HB3 H 1 3.196 0.017 . 2 . . . . . 86 H HB3 . 28061 1 963 . 1 . 1 86 86 HIS C C 13 177.781 0.000 . 1 . . . . . 86 H C . 28061 1 964 . 1 . 1 86 86 HIS CA C 13 60.685 0.090 . 1 . . . . . 86 H CA . 28061 1 965 . 1 . 1 86 86 HIS CB C 13 30.439 0.100 . 1 . . . . . 86 H CB . 28061 1 966 . 1 . 1 86 86 HIS N N 15 122.415 0.080 . 1 . . . . . 86 H N . 28061 1 967 . 1 . 1 87 87 LEU H H 1 8.344 0.009 . 1 . . . . . 87 L H . 28061 1 968 . 1 . 1 87 87 LEU HA H 1 3.903 0.009 . 1 . . . . . 87 L HA . 28061 1 969 . 1 . 1 87 87 LEU HB2 H 1 1.756 0.015 . 2 . . . . . 87 L HB2 . 28061 1 970 . 1 . 1 87 87 LEU HB3 H 1 1.171 0.177 . 2 . . . . . 87 L HB3 . 28061 1 971 . 1 . 1 87 87 LEU HG H 1 1.631 0.015 . 1 . . . . . 87 L HG . 28061 1 972 . 1 . 1 87 87 LEU HD11 H 1 0.276 0.012 . 1 . . . . . 87 L HD1 . 28061 1 973 . 1 . 1 87 87 LEU HD12 H 1 0.276 0.012 . 1 . . . . . 87 L HD1 . 28061 1 974 . 1 . 1 87 87 LEU HD13 H 1 0.276 0.012 . 1 . . . . . 87 L HD1 . 28061 1 975 . 1 . 1 87 87 LEU HD21 H 1 0.293 0.013 . 1 . . . . . 87 L HD2 . 28061 1 976 . 1 . 1 87 87 LEU HD22 H 1 0.293 0.013 . 1 . . . . . 87 L HD2 . 28061 1 977 . 1 . 1 87 87 LEU HD23 H 1 0.293 0.013 . 1 . . . . . 87 L HD2 . 28061 1 978 . 1 . 1 87 87 LEU CA C 13 56.356 0.124 . 1 . . . . . 87 L CA . 28061 1 979 . 1 . 1 87 87 LEU CB C 13 41.251 0.143 . 1 . . . . . 87 L CB . 28061 1 980 . 1 . 1 87 87 LEU CG C 13 26.435 0.270 . 1 . . . . . 87 L CG . 28061 1 981 . 1 . 1 87 87 LEU CD1 C 13 21.787 0.141 . 1 . . . . . 87 L CD1 . 28061 1 982 . 1 . 1 87 87 LEU CD2 C 13 25.770 0.172 . 1 . . . . . 87 L CD2 . 28061 1 983 . 1 . 1 87 87 LEU N N 15 116.570 0.061 . 1 . . . . . 87 L N . 28061 1 984 . 1 . 1 88 88 LEU H H 1 7.701 0.004 . 1 . . . . . 88 L H . 28061 1 985 . 1 . 1 88 88 LEU HA H 1 4.329 0.013 . 1 . . . . . 88 L HA . 28061 1 986 . 1 . 1 88 88 LEU HB2 H 1 1.986 0.001 . 2 . . . . . 88 L HB2 . 28061 1 987 . 1 . 1 88 88 LEU HB3 H 1 1.705 0.000 . 2 . . . . . 88 L HB3 . 28061 1 988 . 1 . 1 88 88 LEU HG H 1 1.789 0.041 . 1 . . . . . 88 L HG . 28061 1 989 . 1 . 1 88 88 LEU HD11 H 1 0.915 0.002 . 1 . . . . . 88 L HD1 . 28061 1 990 . 1 . 1 88 88 LEU HD12 H 1 0.915 0.002 . 1 . . . . . 88 L HD1 . 28061 1 991 . 1 . 1 88 88 LEU HD13 H 1 0.915 0.002 . 1 . . . . . 88 L HD1 . 28061 1 992 . 1 . 1 88 88 LEU HD21 H 1 0.952 0.002 . 1 . . . . . 88 L HD2 . 28061 1 993 . 1 . 1 88 88 LEU HD22 H 1 0.952 0.002 . 1 . . . . . 88 L HD2 . 28061 1 994 . 1 . 1 88 88 LEU HD23 H 1 0.952 0.002 . 1 . . . . . 88 L HD2 . 28061 1 995 . 1 . 1 88 88 LEU C C 13 178.773 0.000 . 1 . . . . . 88 L C . 28061 1 996 . 1 . 1 88 88 LEU CA C 13 56.948 0.053 . 1 . . . . . 88 L CA . 28061 1 997 . 1 . 1 88 88 LEU CB C 13 42.744 0.091 . 1 . . . . . 88 L CB . 28061 1 998 . 1 . 1 88 88 LEU CG C 13 26.786 0.101 . 1 . . . . . 88 L CG . 28061 1 999 . 1 . 1 88 88 LEU CD1 C 13 23.936 0.171 . 1 . . . . . 88 L CD1 . 28061 1 1000 . 1 . 1 88 88 LEU CD2 C 13 23.440 0.100 . 1 . . . . . 88 L CD2 . 28061 1 1001 . 1 . 1 88 88 LEU N N 15 120.125 0.107 . 1 . . . . . 88 L N . 28061 1 1002 . 1 . 1 89 89 ARG H H 1 7.282 0.007 . 1 . . . . . 89 R H . 28061 1 1003 . 1 . 1 89 89 ARG HA H 1 4.363 0.013 . 1 . . . . . 89 R HA . 28061 1 1004 . 1 . 1 89 89 ARG HB2 H 1 1.877 0.005 . 2 . . . . . 89 R HB2 . 28061 1 1005 . 1 . 1 89 89 ARG HB3 H 1 1.670 0.004 . 2 . . . . . 89 R HB3 . 28061 1 1006 . 1 . 1 89 89 ARG HD3 H 1 3.098 0.002 . 2 . . . . . 89 R HD3 . 28061 1 1007 . 1 . 1 89 89 ARG C C 13 175.487 0.000 . 1 . . . . . 89 R C . 28061 1 1008 . 1 . 1 89 89 ARG CA C 13 56.571 0.117 . 1 . . . . . 89 R CA . 28061 1 1009 . 1 . 1 89 89 ARG CB C 13 32.673 0.116 . 1 . . . . . 89 R CB . 28061 1 1010 . 1 . 1 89 89 ARG N N 15 114.984 0.072 . 1 . . . . . 89 R N . 28061 1 1011 . 1 . 1 90 90 ASN H H 1 7.601 0.007 . 1 . . . . . 90 N H . 28061 1 1012 . 1 . 1 90 90 ASN HA H 1 5.164 0.050 . 1 . . . . . 90 N HA . 28061 1 1013 . 1 . 1 90 90 ASN HB2 H 1 2.475 0.012 . 2 . . . . . 90 N HB2 . 28061 1 1014 . 1 . 1 90 90 ASN HB3 H 1 1.999 0.012 . 2 . . . . . 90 N HB3 . 28061 1 1015 . 1 . 1 90 90 ASN HD21 H 1 6.825 0.006 . 2 . . . . . 90 N HD21 . 28061 1 1016 . 1 . 1 90 90 ASN HD22 H 1 7.424 0.002 . 2 . . . . . 90 N HD22 . 28061 1 1017 . 1 . 1 90 90 ASN C C 13 175.026 0.000 . 1 . . . . . 90 N C . 28061 1 1018 . 1 . 1 90 90 ASN CA C 13 51.564 0.103 . 1 . . . . . 90 N CA . 28061 1 1019 . 1 . 1 90 90 ASN CB C 13 40.747 0.157 . 1 . . . . . 90 N CB . 28061 1 1020 . 1 . 1 90 90 ASN N N 15 117.842 0.096 . 1 . . . . . 90 N N . 28061 1 1021 . 1 . 1 90 90 ASN ND2 N 15 111.528 0.023 . 1 . . . . . 90 N ND2 . 28061 1 1022 . 1 . 1 91 91 PRO HA H 1 4.208 0.055 . 1 . . . . . 91 P HA . 28061 1 1023 . 1 . 1 91 91 PRO HB2 H 1 1.765 0.000 . 2 . . . . . 91 P HB2 . 28061 1 1024 . 1 . 1 91 91 PRO HB3 H 1 2.217 0.012 . 2 . . . . . 91 P HB3 . 28061 1 1025 . 1 . 1 91 91 PRO HG3 H 1 1.929 0.016 . 2 . . . . . 91 P HG3 . 28061 1 1026 . 1 . 1 91 91 PRO HD2 H 1 3.675 0.121 . 2 . . . . . 91 P HD2 . 28061 1 1027 . 1 . 1 91 91 PRO HD3 H 1 3.571 0.000 . 2 . . . . . 91 P HD3 . 28061 1 1028 . 1 . 1 91 91 PRO C C 13 176.211 0.000 . 1 . . . . . 91 P C . 28061 1 1029 . 1 . 1 91 91 PRO CA C 13 62.558 0.080 . 1 . . . . . 91 P CA . 28061 1 1030 . 1 . 1 91 91 PRO CB C 13 31.895 0.060 . 1 . . . . . 91 P CB . 28061 1 1031 . 1 . 1 92 92 HIS H H 1 8.697 0.004 . 1 . . . . . 92 H H . 28061 1 1032 . 1 . 1 92 92 HIS HA H 1 4.975 0.071 . 1 . . . . . 92 H HA . 28061 1 1033 . 1 . 1 92 92 HIS HB2 H 1 3.655 0.136 . 2 . . . . . 92 H HB2 . 28061 1 1034 . 1 . 1 92 92 HIS HB3 H 1 2.956 0.004 . 2 . . . . . 92 H HB3 . 28061 1 1035 . 1 . 1 92 92 HIS C C 13 175.528 0.000 . 1 . . . . . 92 H C . 28061 1 1036 . 1 . 1 92 92 HIS CA C 13 52.733 0.109 . 1 . . . . . 92 H CA . 28061 1 1037 . 1 . 1 92 92 HIS CB C 13 29.106 0.118 . 1 . . . . . 92 H CB . 28061 1 1038 . 1 . 1 92 92 HIS N N 15 120.172 0.086 . 1 . . . . . 92 H N . 28061 1 1039 . 1 . 1 93 93 LEU H H 1 11.546 0.010 . 1 . . . . . 93 L H . 28061 1 1040 . 1 . 1 93 93 LEU HA H 1 4.125 0.145 . 1 . . . . . 93 L HA . 28061 1 1041 . 1 . 1 93 93 LEU HB2 H 1 1.525 0.107 . 2 . . . . . 93 L HB2 . 28061 1 1042 . 1 . 1 93 93 LEU HB3 H 1 1.748 0.001 . 2 . . . . . 93 L HB3 . 28061 1 1043 . 1 . 1 93 93 LEU HG H 1 1.621 0.007 . 1 . . . . . 93 L HG . 28061 1 1044 . 1 . 1 93 93 LEU HD11 H 1 0.963 0.036 . 1 . . . . . 93 L HD1 . 28061 1 1045 . 1 . 1 93 93 LEU HD12 H 1 0.963 0.036 . 1 . . . . . 93 L HD1 . 28061 1 1046 . 1 . 1 93 93 LEU HD13 H 1 0.963 0.036 . 1 . . . . . 93 L HD1 . 28061 1 1047 . 1 . 1 93 93 LEU C C 13 177.652 0.000 . 1 . . . . . 93 L C . 28061 1 1048 . 1 . 1 93 93 LEU CA C 13 57.667 0.142 . 1 . . . . . 93 L CA . 28061 1 1049 . 1 . 1 93 93 LEU CB C 13 43.167 0.178 . 1 . . . . . 93 L CB . 28061 1 1050 . 1 . 1 93 93 LEU CG C 13 26.957 0.026 . 1 . . . . . 93 L CG . 28061 1 1051 . 1 . 1 93 93 LEU CD1 C 13 24.638 0.101 . 1 . . . . . 93 L CD1 . 28061 1 1052 . 1 . 1 93 93 LEU N N 15 106.268 0.125 . 1 . . . . . 93 L N . 28061 1 1053 . 1 . 1 94 94 VAL H H 1 8.711 0.009 . 1 . . . . . 94 V H . 28061 1 1054 . 1 . 1 94 94 VAL HA H 1 4.041 0.022 . 1 . . . . . 94 V HA . 28061 1 1055 . 1 . 1 94 94 VAL HB H 1 2.126 0.041 . 1 . . . . . 94 V HB . 28061 1 1056 . 1 . 1 94 94 VAL HG11 H 1 0.822 0.005 . 1 . . . . . 94 V HG1 . 28061 1 1057 . 1 . 1 94 94 VAL HG12 H 1 0.822 0.005 . 1 . . . . . 94 V HG1 . 28061 1 1058 . 1 . 1 94 94 VAL HG13 H 1 0.822 0.005 . 1 . . . . . 94 V HG1 . 28061 1 1059 . 1 . 1 94 94 VAL HG21 H 1 1.249 0.006 . 1 . . . . . 94 V HG2 . 28061 1 1060 . 1 . 1 94 94 VAL HG22 H 1 1.249 0.006 . 1 . . . . . 94 V HG2 . 28061 1 1061 . 1 . 1 94 94 VAL HG23 H 1 1.249 0.006 . 1 . . . . . 94 V HG2 . 28061 1 1062 . 1 . 1 94 94 VAL C C 13 176.012 0.000 . 1 . . . . . 94 V C . 28061 1 1063 . 1 . 1 94 94 VAL CA C 13 61.698 0.148 . 1 . . . . . 94 V CA . 28061 1 1064 . 1 . 1 94 94 VAL CB C 13 32.783 0.213 . 1 . . . . . 94 V CB . 28061 1 1065 . 1 . 1 94 94 VAL CG1 C 13 21.493 0.193 . 1 . . . . . 94 V CG1 . 28061 1 1066 . 1 . 1 94 94 VAL CG2 C 13 23.771 0.109 . 1 . . . . . 94 V CG2 . 28061 1 1067 . 1 . 1 94 94 VAL N N 15 118.690 0.081 . 1 . . . . . 94 V N . 28061 1 1068 . 1 . 1 95 95 SER H H 1 8.827 0.006 . 1 . . . . . 95 S H . 28061 1 1069 . 1 . 1 95 95 SER HB2 H 1 4.367 0.039 . 2 . . . . . 95 S HB2 . 28061 1 1070 . 1 . 1 95 95 SER HB3 H 1 4.022 0.000 . 2 . . . . . 95 S HB3 . 28061 1 1071 . 1 . 1 95 95 SER CA C 13 58.287 0.148 . 1 . . . . . 95 S CA . 28061 1 1072 . 1 . 1 95 95 SER CB C 13 65.248 0.213 . 1 . . . . . 95 S CB . 28061 1 1073 . 1 . 1 95 95 SER N N 15 124.279 0.090 . 1 . . . . . 95 S N . 28061 1 1074 . 1 . 1 96 96 ASP H H 1 9.174 0.006 . 1 . . . . . 96 D H . 28061 1 1075 . 1 . 1 96 96 ASP HA H 1 4.369 0.089 . 1 . . . . . 96 D HA . 28061 1 1076 . 1 . 1 96 96 ASP HB2 H 1 2.953 0.005 . 2 . . . . . 96 D HB2 . 28061 1 1077 . 1 . 1 96 96 ASP HB3 H 1 3.132 0.000 . 2 . . . . . 96 D HB3 . 28061 1 1078 . 1 . 1 96 96 ASP C C 13 178.894 0.000 . 1 . . . . . 96 D C . 28061 1 1079 . 1 . 1 96 96 ASP CA C 13 57.547 0.219 . 1 . . . . . 96 D CA . 28061 1 1080 . 1 . 1 96 96 ASP CB C 13 39.645 0.252 . 1 . . . . . 96 D CB . 28061 1 1081 . 1 . 1 96 96 ASP N N 15 120.974 0.057 . 1 . . . . . 96 D N . 28061 1 1082 . 1 . 1 97 97 TYR H H 1 8.429 0.006 . 1 . . . . . 97 Y H . 28061 1 1083 . 1 . 1 97 97 TYR HA H 1 3.947 0.020 . 1 . . . . . 97 Y HA . 28061 1 1084 . 1 . 1 97 97 TYR HB2 H 1 2.743 0.035 . 2 . . . . . 97 Y HB2 . 28061 1 1085 . 1 . 1 97 97 TYR HB3 H 1 3.443 0.004 . 2 . . . . . 97 Y HB3 . 28061 1 1086 . 1 . 1 97 97 TYR C C 13 175.575 0.000 . 1 . . . . . 97 Y C . 28061 1 1087 . 1 . 1 97 97 TYR CA C 13 60.530 0.154 . 1 . . . . . 97 Y CA . 28061 1 1088 . 1 . 1 97 97 TYR CB C 13 38.549 0.274 . 1 . . . . . 97 Y CB . 28061 1 1089 . 1 . 1 97 97 TYR N N 15 122.460 0.059 . 1 . . . . . 97 Y N . 28061 1 1090 . 1 . 1 98 98 ARG H H 1 7.612 0.009 . 1 . . . . . 98 R H . 28061 1 1091 . 1 . 1 98 98 ARG HB2 H 1 1.880 0.023 . 2 . . . . . 98 R HB2 . 28061 1 1092 . 1 . 1 98 98 ARG C C 13 178.241 0.000 . 1 . . . . . 98 R C . 28061 1 1093 . 1 . 1 98 98 ARG CA C 13 59.349 0.065 . 1 . . . . . 98 R CA . 28061 1 1094 . 1 . 1 98 98 ARG CB C 13 28.606 0.221 . 1 . . . . . 98 R CB . 28061 1 1095 . 1 . 1 98 98 ARG N N 15 119.560 0.081 . 1 . . . . . 98 R N . 28061 1 1096 . 1 . 1 99 99 VAL H H 1 7.867 0.004 . 1 . . . . . 99 V H . 28061 1 1097 . 1 . 1 99 99 VAL HA H 1 3.408 0.002 . 1 . . . . . 99 V HA . 28061 1 1098 . 1 . 1 99 99 VAL HB H 1 2.147 0.005 . 1 . . . . . 99 V HB . 28061 1 1099 . 1 . 1 99 99 VAL HG11 H 1 1.036 0.006 . 1 . . . . . 99 V HG1 . 28061 1 1100 . 1 . 1 99 99 VAL HG12 H 1 1.036 0.006 . 1 . . . . . 99 V HG1 . 28061 1 1101 . 1 . 1 99 99 VAL HG13 H 1 1.036 0.006 . 1 . . . . . 99 V HG1 . 28061 1 1102 . 1 . 1 99 99 VAL HG21 H 1 1.025 0.011 . 1 . . . . . 99 V HG2 . 28061 1 1103 . 1 . 1 99 99 VAL HG22 H 1 1.025 0.011 . 1 . . . . . 99 V HG2 . 28061 1 1104 . 1 . 1 99 99 VAL HG23 H 1 1.025 0.011 . 1 . . . . . 99 V HG2 . 28061 1 1105 . 1 . 1 99 99 VAL C C 13 177.843 0.000 . 1 . . . . . 99 V C . 28061 1 1106 . 1 . 1 99 99 VAL CA C 13 67.046 0.230 . 1 . . . . . 99 V CA . 28061 1 1107 . 1 . 1 99 99 VAL CB C 13 31.931 0.221 . 1 . . . . . 99 V CB . 28061 1 1108 . 1 . 1 99 99 VAL CG1 C 13 22.803 0.171 . 1 . . . . . 99 V CG1 . 28061 1 1109 . 1 . 1 99 99 VAL CG2 C 13 23.158 0.103 . 1 . . . . . 99 V CG2 . 28061 1 1110 . 1 . 1 99 99 VAL N N 15 118.540 0.059 . 1 . . . . . 99 V N . 28061 1 1111 . 1 . 1 100 100 LEU H H 1 7.991 0.009 . 1 . . . . . 100 L H . 28061 1 1112 . 1 . 1 100 100 LEU HA H 1 3.995 0.168 . 1 . . . . . 100 L HA . 28061 1 1113 . 1 . 1 100 100 LEU HB2 H 1 1.997 0.077 . 2 . . . . . 100 L HB2 . 28061 1 1114 . 1 . 1 100 100 LEU HB3 H 1 1.823 0.012 . 2 . . . . . 100 L HB3 . 28061 1 1115 . 1 . 1 100 100 LEU HG H 1 1.193 0.012 . 1 . . . . . 100 L HG . 28061 1 1116 . 1 . 1 100 100 LEU HD11 H 1 0.759 0.124 . 1 . . . . . 100 L HD1 . 28061 1 1117 . 1 . 1 100 100 LEU HD12 H 1 0.759 0.124 . 1 . . . . . 100 L HD1 . 28061 1 1118 . 1 . 1 100 100 LEU HD13 H 1 0.759 0.124 . 1 . . . . . 100 L HD1 . 28061 1 1119 . 1 . 1 100 100 LEU HD21 H 1 0.262 0.146 . 1 . . . . . 100 L HD2 . 28061 1 1120 . 1 . 1 100 100 LEU HD22 H 1 0.262 0.146 . 1 . . . . . 100 L HD2 . 28061 1 1121 . 1 . 1 100 100 LEU HD23 H 1 0.262 0.146 . 1 . . . . . 100 L HD2 . 28061 1 1122 . 1 . 1 100 100 LEU C C 13 178.328 0.000 . 1 . . . . . 100 L C . 28061 1 1123 . 1 . 1 100 100 LEU CA C 13 57.871 0.065 . 1 . . . . . 100 L CA . 28061 1 1124 . 1 . 1 100 100 LEU CB C 13 40.997 0.136 . 1 . . . . . 100 L CB . 28061 1 1125 . 1 . 1 100 100 LEU CG C 13 26.782 0.085 . 1 . . . . . 100 L CG . 28061 1 1126 . 1 . 1 100 100 LEU CD1 C 13 23.193 0.159 . 1 . . . . . 100 L CD1 . 28061 1 1127 . 1 . 1 100 100 LEU CD2 C 13 25.737 0.141 . 1 . . . . . 100 L CD2 . 28061 1 1128 . 1 . 1 100 100 LEU N N 15 120.580 0.095 . 1 . . . . . 100 L N . 28061 1 1129 . 1 . 1 101 101 MET H H 1 7.880 0.007 . 1 . . . . . 101 M H . 28061 1 1130 . 1 . 1 101 101 MET HA H 1 4.566 0.202 . 1 . . . . . 101 M HA . 28061 1 1131 . 1 . 1 101 101 MET HB2 H 1 1.989 0.077 . 2 . . . . . 101 M HB2 . 28061 1 1132 . 1 . 1 101 101 MET HB3 H 1 1.625 0.012 . 2 . . . . . 101 M HB3 . 28061 1 1133 . 1 . 1 101 101 MET HG2 H 1 2.675 0.000 . 1 . . . . . 101 M HG2 . 28061 1 1134 . 1 . 1 101 101 MET HG3 H 1 2.231 0.000 . 1 . . . . . 101 M HG3 . 28061 1 1135 . 1 . 1 101 101 MET HE1 H 1 1.791 0.003 . 1 . . . . . 101 M HE . 28061 1 1136 . 1 . 1 101 101 MET HE2 H 1 1.791 0.003 . 1 . . . . . 101 M HE . 28061 1 1137 . 1 . 1 101 101 MET HE3 H 1 1.791 0.003 . 1 . . . . . 101 M HE . 28061 1 1138 . 1 . 1 101 101 MET C C 13 176.001 0.000 . 1 . . . . . 101 M C . 28061 1 1139 . 1 . 1 101 101 MET CA C 13 56.810 0.122 . 1 . . . . . 101 M CA . 28061 1 1140 . 1 . 1 101 101 MET CB C 13 30.329 0.264 . 1 . . . . . 101 M CB . 28061 1 1141 . 1 . 1 101 101 MET CG C 13 33.644 0.072 . 1 . . . . . 101 M CG . 28061 1 1142 . 1 . 1 101 101 MET CE C 13 20.179 0.082 . 1 . . . . . 101 M CE . 28061 1 1143 . 1 . 1 101 101 MET N N 15 114.953 0.077 . 1 . . . . . 101 M N . 28061 1 1144 . 1 . 1 102 102 ALA H H 1 8.018 0.002 . 1 . . . . . 102 A H . 28061 1 1145 . 1 . 1 102 102 ALA HA H 1 4.004 0.202 . 1 . . . . . 102 A HA . 28061 1 1146 . 1 . 1 102 102 ALA HB1 H 1 1.556 0.024 . 1 . . . . . 102 A HB . 28061 1 1147 . 1 . 1 102 102 ALA HB2 H 1 1.556 0.024 . 1 . . . . . 102 A HB . 28061 1 1148 . 1 . 1 102 102 ALA HB3 H 1 1.556 0.024 . 1 . . . . . 102 A HB . 28061 1 1149 . 1 . 1 102 102 ALA C C 13 179.767 0.000 . 1 . . . . . 102 A C . 28061 1 1150 . 1 . 1 102 102 ALA CA C 13 55.232 0.122 . 1 . . . . . 102 A CA . 28061 1 1151 . 1 . 1 102 102 ALA CB C 13 18.339 0.264 . 1 . . . . . 102 A CB . 28061 1 1152 . 1 . 1 102 102 ALA N N 15 120.704 0.088 . 1 . . . . . 102 A N . 28061 1 1153 . 1 . 1 103 103 GLU H H 1 8.467 0.008 . 1 . . . . . 103 E H . 28061 1 1154 . 1 . 1 103 103 GLU HA H 1 3.977 0.006 . 1 . . . . . 103 E HA . 28061 1 1155 . 1 . 1 103 103 GLU HB2 H 1 1.981 0.114 . 2 . . . . . 103 E HB2 . 28061 1 1156 . 1 . 1 103 103 GLU HB3 H 1 2.227 0.000 . 2 . . . . . 103 E HB3 . 28061 1 1157 . 1 . 1 103 103 GLU HG2 H 1 2.537 0.008 . 2 . . . . . 103 E HG2 . 28061 1 1158 . 1 . 1 103 103 GLU HG3 H 1 2.219 0.000 . 2 . . . . . 103 E HG3 . 28061 1 1159 . 1 . 1 103 103 GLU C C 13 180.043 0.000 . 1 . . . . . 103 E C . 28061 1 1160 . 1 . 1 103 103 GLU CA C 13 59.432 0.081 . 1 . . . . . 103 E CA . 28061 1 1161 . 1 . 1 103 103 GLU CB C 13 29.671 0.264 . 1 . . . . . 103 E CB . 28061 1 1162 . 1 . 1 103 103 GLU N N 15 119.665 0.078 . 1 . . . . . 103 E N . 28061 1 1163 . 1 . 1 104 104 ILE H H 1 8.466 0.003 . 1 . . . . . 104 I H . 28061 1 1164 . 1 . 1 104 104 ILE HA H 1 3.527 0.009 . 1 . . . . . 104 I HA . 28061 1 1165 . 1 . 1 104 104 ILE HB H 1 1.844 0.024 . 1 . . . . . 104 I HB . 28061 1 1166 . 1 . 1 104 104 ILE HG12 H 1 0.946 0.024 . 2 . . . . . 104 I HG12 . 28061 1 1167 . 1 . 1 104 104 ILE HG13 H 1 1.762 0.011 . 2 . . . . . 104 I HG13 . 28061 1 1168 . 1 . 1 104 104 ILE HG21 H 1 0.319 0.006 . 1 . . . . . 104 I HG2 . 28061 1 1169 . 1 . 1 104 104 ILE HG22 H 1 0.319 0.006 . 1 . . . . . 104 I HG2 . 28061 1 1170 . 1 . 1 104 104 ILE HG23 H 1 0.319 0.006 . 1 . . . . . 104 I HG2 . 28061 1 1171 . 1 . 1 104 104 ILE HD11 H 1 0.716 0.013 . 1 . . . . . 104 I HD1 . 28061 1 1172 . 1 . 1 104 104 ILE HD12 H 1 0.716 0.013 . 1 . . . . . 104 I HD1 . 28061 1 1173 . 1 . 1 104 104 ILE HD13 H 1 0.716 0.013 . 1 . . . . . 104 I HD1 . 28061 1 1174 . 1 . 1 104 104 ILE C C 13 177.468 0.000 . 1 . . . . . 104 I C . 28061 1 1175 . 1 . 1 104 104 ILE CA C 13 65.479 0.101 . 1 . . . . . 104 I CA . 28061 1 1176 . 1 . 1 104 104 ILE CB C 13 37.364 0.115 . 1 . . . . . 104 I CB . 28061 1 1177 . 1 . 1 104 104 ILE CG1 C 13 29.526 0.187 . 1 . . . . . 104 I CG1 . 28061 1 1178 . 1 . 1 104 104 ILE CG2 C 13 17.550 0.078 . 1 . . . . . 104 I CG2 . 28061 1 1179 . 1 . 1 104 104 ILE CD1 C 13 13.432 0.128 . 1 . . . . . 104 I CD1 . 28061 1 1180 . 1 . 1 104 104 ILE N N 15 120.286 0.080 . 1 . . . . . 104 I N . 28061 1 1181 . 1 . 1 105 105 GLY H H 1 8.040 0.007 . 1 . . . . . 105 G H . 28061 1 1182 . 1 . 1 105 105 GLY HA2 H 1 3.660 0.008 . 2 . . . . . 105 G HA2 . 28061 1 1183 . 1 . 1 105 105 GLY HA3 H 1 3.122 0.012 . 2 . . . . . 105 G HA3 . 28061 1 1184 . 1 . 1 105 105 GLY C C 13 175.831 0.000 . 1 . . . . . 105 G C . 28061 1 1185 . 1 . 1 105 105 GLY CA C 13 48.415 0.084 . 1 . . . . . 105 G CA . 28061 1 1186 . 1 . 1 105 105 GLY N N 15 104.239 0.095 . 1 . . . . . 105 G N . 28061 1 1187 . 1 . 1 106 106 GLU H H 1 7.602 0.007 . 1 . . . . . 106 E H . 28061 1 1188 . 1 . 1 106 106 GLU HA H 1 4.084 0.011 . 1 . . . . . 106 E HA . 28061 1 1189 . 1 . 1 106 106 GLU HB2 H 1 2.110 0.006 . 2 . . . . . 106 E HB2 . 28061 1 1190 . 1 . 1 106 106 GLU HB3 H 1 2.027 0.010 . 2 . . . . . 106 E HB3 . 28061 1 1191 . 1 . 1 106 106 GLU HG2 H 1 2.437 0.010 . 2 . . . . . 106 E HG2 . 28061 1 1192 . 1 . 1 106 106 GLU HG3 H 1 2.285 0.004 . 2 . . . . . 106 E HG3 . 28061 1 1193 . 1 . 1 106 106 GLU C C 13 177.197 0.000 . 1 . . . . . 106 E C . 28061 1 1194 . 1 . 1 106 106 GLU CA C 13 58.185 0.096 . 1 . . . . . 106 E CA . 28061 1 1195 . 1 . 1 106 106 GLU CB C 13 29.977 0.370 . 1 . . . . . 106 E CB . 28061 1 1196 . 1 . 1 106 106 GLU CG C 13 36.704 0.090 . 1 . . . . . 106 E CG . 28061 1 1197 . 1 . 1 106 106 GLU N N 15 118.829 0.058 . 1 . . . . . 106 E N . 28061 1 1198 . 1 . 1 107 107 ASP H H 1 7.428 0.005 . 1 . . . . . 107 D H . 28061 1 1199 . 1 . 1 107 107 ASP HA H 1 4.764 0.004 . 1 . . . . . 107 D HA . 28061 1 1200 . 1 . 1 107 107 ASP HB2 H 1 2.669 0.041 . 2 . . . . . 107 D HB2 . 28061 1 1201 . 1 . 1 107 107 ASP HB3 H 1 2.496 0.005 . 2 . . . . . 107 D HB3 . 28061 1 1202 . 1 . 1 107 107 ASP C C 13 176.773 0.000 . 1 . . . . . 107 D C . 28061 1 1203 . 1 . 1 107 107 ASP CA C 13 54.333 0.075 . 1 . . . . . 107 D CA . 28061 1 1204 . 1 . 1 107 107 ASP CB C 13 43.072 0.075 . 1 . . . . . 107 D CB . 28061 1 1205 . 1 . 1 107 107 ASP N N 15 118.254 0.066 . 1 . . . . . 107 D N . 28061 1 1206 . 1 . 1 108 108 LEU H H 1 7.157 0.006 . 1 . . . . . 108 L H . 28061 1 1207 . 1 . 1 108 108 LEU HA H 1 4.371 0.015 . 1 . . . . . 108 L HA . 28061 1 1208 . 1 . 1 108 108 LEU HB2 H 1 1.199 0.074 . 2 . . . . . 108 L HB2 . 28061 1 1209 . 1 . 1 108 108 LEU HB3 H 1 1.454 0.002 . 2 . . . . . 108 L HB3 . 28061 1 1210 . 1 . 1 108 108 LEU HG H 1 1.483 0.011 . 1 . . . . . 108 L HG . 28061 1 1211 . 1 . 1 108 108 LEU HD11 H 1 0.475 0.136 . 1 . . . . . 108 L HD1 . 28061 1 1212 . 1 . 1 108 108 LEU HD12 H 1 0.475 0.136 . 1 . . . . . 108 L HD1 . 28061 1 1213 . 1 . 1 108 108 LEU HD13 H 1 0.475 0.136 . 1 . . . . . 108 L HD1 . 28061 1 1214 . 1 . 1 108 108 LEU HD21 H 1 -0.026 0.090 . 1 . . . . . 108 L HD2 . 28061 1 1215 . 1 . 1 108 108 LEU HD22 H 1 -0.026 0.090 . 1 . . . . . 108 L HD2 . 28061 1 1216 . 1 . 1 108 108 LEU HD23 H 1 -0.026 0.090 . 1 . . . . . 108 L HD2 . 28061 1 1217 . 1 . 1 108 108 LEU C C 13 176.145 0.000 . 1 . . . . . 108 L C . 28061 1 1218 . 1 . 1 108 108 LEU CA C 13 54.478 0.225 . 1 . . . . . 108 L CA . 28061 1 1219 . 1 . 1 108 108 LEU CB C 13 43.556 0.115 . 1 . . . . . 108 L CB . 28061 1 1220 . 1 . 1 108 108 LEU CG C 13 25.555 0.096 . 1 . . . . . 108 L CG . 28061 1 1221 . 1 . 1 108 108 LEU CD1 C 13 24.717 0.097 . 1 . . . . . 108 L CD1 . 28061 1 1222 . 1 . 1 108 108 LEU CD2 C 13 28.102 0.089 . 1 . . . . . 108 L CD2 . 28061 1 1223 . 1 . 1 108 108 LEU N N 15 121.470 0.055 . 1 . . . . . 108 L N . 28061 1 1224 . 1 . 1 109 109 ASP H H 1 8.845 0.007 . 1 . . . . . 109 D H . 28061 1 1225 . 1 . 1 109 109 ASP HA H 1 4.800 0.041 . 1 . . . . . 109 D HA . 28061 1 1226 . 1 . 1 109 109 ASP HB2 H 1 2.717 0.129 . 2 . . . . . 109 D HB2 . 28061 1 1227 . 1 . 1 109 109 ASP HB3 H 1 2.978 0.019 . 2 . . . . . 109 D HB3 . 28061 1 1228 . 1 . 1 109 109 ASP C C 13 177.052 0.000 . 1 . . . . . 109 D C . 28061 1 1229 . 1 . 1 109 109 ASP CA C 13 52.710 0.227 . 1 . . . . . 109 D CA . 28061 1 1230 . 1 . 1 109 109 ASP CB C 13 42.196 0.158 . 1 . . . . . 109 D CB . 28061 1 1231 . 1 . 1 109 109 ASP N N 15 123.898 0.055 . 1 . . . . . 109 D N . 28061 1 1232 . 1 . 1 110 110 LYS H H 1 8.553 0.004 . 1 . . . . . 110 K H . 28061 1 1233 . 1 . 1 110 110 LYS HA H 1 4.040 0.069 . 1 . . . . . 110 K HA . 28061 1 1234 . 1 . 1 110 110 LYS HB2 H 1 2.120 0.206 . 2 . . . . . 110 K HB2 . 28061 1 1235 . 1 . 1 110 110 LYS HB3 H 1 1.890 0.005 . 2 . . . . . 110 K HB3 . 28061 1 1236 . 1 . 1 110 110 LYS HG2 H 1 1.491 0.002 . 2 . . . . . 110 K HG2 . 28061 1 1237 . 1 . 1 110 110 LYS HG3 H 1 1.368 0.000 . 2 . . . . . 110 K HG3 . 28061 1 1238 . 1 . 1 110 110 LYS HE2 H 1 2.943 0.014 . 2 . . . . . 110 K HE2 . 28061 1 1239 . 1 . 1 110 110 LYS HE3 H 1 2.835 0.005 . 2 . . . . . 110 K HE3 . 28061 1 1240 . 1 . 1 110 110 LYS C C 13 179.610 0.000 . 1 . . . . . 110 K C . 28061 1 1241 . 1 . 1 110 110 LYS CA C 13 60.271 0.175 . 1 . . . . . 110 K CA . 28061 1 1242 . 1 . 1 110 110 LYS CB C 13 32.011 0.190 . 1 . . . . . 110 K CB . 28061 1 1243 . 1 . 1 110 110 LYS CG C 13 24.369 0.185 . 1 . . . . . 110 K CG . 28061 1 1244 . 1 . 1 110 110 LYS CD C 13 29.184 0.000 . 1 . . . . . 110 K CD . 28061 1 1245 . 1 . 1 110 110 LYS CE C 13 42.061 0.186 . 1 . . . . . 110 K CE . 28061 1 1246 . 1 . 1 110 110 LYS N N 15 120.271 0.046 . 1 . . . . . 110 K N . 28061 1 1247 . 1 . 1 111 111 SER H H 1 8.414 0.004 . 1 . . . . . 111 S H . 28061 1 1248 . 1 . 1 111 111 SER HA H 1 4.287 0.008 . 1 . . . . . 111 S HA . 28061 1 1249 . 1 . 1 111 111 SER HB2 H 1 3.994 0.106 . 2 . . . . . 111 S HB2 . 28061 1 1250 . 1 . 1 111 111 SER HB3 H 1 3.974 0.005 . 2 . . . . . 111 S HB3 . 28061 1 1251 . 1 . 1 111 111 SER C C 13 177.153 0.000 . 1 . . . . . 111 S C . 28061 1 1252 . 1 . 1 111 111 SER CA C 13 61.200 0.094 . 1 . . . . . 111 S CA . 28061 1 1253 . 1 . 1 111 111 SER CB C 13 62.397 0.101 . 1 . . . . . 111 S CB . 28061 1 1254 . 1 . 1 111 111 SER N N 15 115.447 0.071 . 1 . . . . . 111 S N . 28061 1 1255 . 1 . 1 112 112 ASP H H 1 8.038 0.002 . 1 . . . . . 112 D H . 28061 1 1256 . 1 . 1 112 112 ASP HA H 1 4.450 0.011 . 1 . . . . . 112 D HA . 28061 1 1257 . 1 . 1 112 112 ASP HB2 H 1 3.015 0.201 . 2 . . . . . 112 D HB2 . 28061 1 1258 . 1 . 1 112 112 ASP HB3 H 1 2.533 0.161 . 2 . . . . . 112 D HB3 . 28061 1 1259 . 1 . 1 112 112 ASP C C 13 177.616 0.000 . 1 . . . . . 112 D C . 28061 1 1260 . 1 . 1 112 112 ASP CA C 13 57.486 0.198 . 1 . . . . . 112 D CA . 28061 1 1261 . 1 . 1 112 112 ASP CB C 13 42.384 0.101 . 1 . . . . . 112 D CB . 28061 1 1262 . 1 . 1 112 112 ASP N N 15 124.003 0.050 . 1 . . . . . 112 D N . 28061 1 1263 . 1 . 1 113 113 VAL H H 1 8.175 0.004 . 1 . . . . . 113 V H . 28061 1 1264 . 1 . 1 113 113 VAL HA H 1 3.462 0.013 . 1 . . . . . 113 V HA . 28061 1 1265 . 1 . 1 113 113 VAL HB H 1 2.253 0.015 . 1 . . . . . 113 V HB . 28061 1 1266 . 1 . 1 113 113 VAL HG11 H 1 0.988 0.005 . 1 . . . . . 113 V HG1 . 28061 1 1267 . 1 . 1 113 113 VAL HG12 H 1 0.988 0.005 . 1 . . . . . 113 V HG1 . 28061 1 1268 . 1 . 1 113 113 VAL HG13 H 1 0.988 0.005 . 1 . . . . . 113 V HG1 . 28061 1 1269 . 1 . 1 113 113 VAL HG21 H 1 1.094 0.006 . 1 . . . . . 113 V HG2 . 28061 1 1270 . 1 . 1 113 113 VAL HG22 H 1 1.094 0.006 . 1 . . . . . 113 V HG2 . 28061 1 1271 . 1 . 1 113 113 VAL HG23 H 1 1.094 0.006 . 1 . . . . . 113 V HG2 . 28061 1 1272 . 1 . 1 113 113 VAL C C 13 177.777 0.000 . 1 . . . . . 113 V C . 28061 1 1273 . 1 . 1 113 113 VAL CA C 13 67.901 0.110 . 1 . . . . . 113 V CA . 28061 1 1274 . 1 . 1 113 113 VAL CB C 13 31.412 0.126 . 1 . . . . . 113 V CB . 28061 1 1275 . 1 . 1 113 113 VAL CG1 C 13 21.696 0.139 . 1 . . . . . 113 V CG1 . 28061 1 1276 . 1 . 1 113 113 VAL CG2 C 13 24.751 0.049 . 1 . . . . . 113 V CG2 . 28061 1 1277 . 1 . 1 113 113 VAL N N 15 119.687 0.050 . 1 . . . . . 113 V N . 28061 1 1278 . 1 . 1 114 114 SER H H 1 8.091 0.007 . 1 . . . . . 114 S H . 28061 1 1279 . 1 . 1 114 114 SER HA H 1 4.223 0.077 . 1 . . . . . 114 S HA . 28061 1 1280 . 1 . 1 114 114 SER HB2 H 1 4.049 0.090 . 2 . . . . . 114 S HB2 . 28061 1 1281 . 1 . 1 114 114 SER HB3 H 1 4.238 0.000 . 2 . . . . . 114 S HB3 . 28061 1 1282 . 1 . 1 114 114 SER C C 13 178.207 0.000 . 1 . . . . . 114 S C . 28061 1 1283 . 1 . 1 114 114 SER CA C 13 62.215 0.210 . 1 . . . . . 114 S CA . 28061 1 1284 . 1 . 1 114 114 SER CB C 13 70.113 0.309 . 1 . . . . . 114 S CB . 28061 1 1285 . 1 . 1 114 114 SER N N 15 114.233 0.084 . 1 . . . . . 114 S N . 28061 1 1286 . 1 . 1 115 115 SER H H 1 8.225 0.007 . 1 . . . . . 115 S H . 28061 1 1287 . 1 . 1 115 115 SER HA H 1 4.331 0.006 . 1 . . . . . 115 S HA . 28061 1 1288 . 1 . 1 115 115 SER HB2 H 1 3.963 0.089 . 2 . . . . . 115 S HB2 . 28061 1 1289 . 1 . 1 115 115 SER HB3 H 1 4.179 0.000 . 2 . . . . . 115 S HB3 . 28061 1 1290 . 1 . 1 115 115 SER C C 13 176.709 0.000 . 1 . . . . . 115 S C . 28061 1 1291 . 1 . 1 115 115 SER CA C 13 62.047 0.164 . 1 . . . . . 115 S CA . 28061 1 1292 . 1 . 1 115 115 SER CB C 13 62.635 0.054 . 1 . . . . . 115 S CB . 28061 1 1293 . 1 . 1 115 115 SER N N 15 118.825 0.059 . 1 . . . . . 115 S N . 28061 1 1294 . 1 . 1 116 116 LEU H H 1 8.581 0.005 . 1 . . . . . 116 L H . 28061 1 1295 . 1 . 1 116 116 LEU HA H 1 3.939 0.016 . 1 . . . . . 116 L HA . 28061 1 1296 . 1 . 1 116 116 LEU HB2 H 1 1.648 0.163 . 2 . . . . . 116 L HB2 . 28061 1 1297 . 1 . 1 116 116 LEU HB3 H 1 2.003 0.011 . 2 . . . . . 116 L HB3 . 28061 1 1298 . 1 . 1 116 116 LEU HG H 1 1.356 0.000 . 1 . . . . . 116 L HG . 28061 1 1299 . 1 . 1 116 116 LEU HD11 H 1 0.796 0.000 . 1 . . . . . 116 L HD1 . 28061 1 1300 . 1 . 1 116 116 LEU HD12 H 1 0.796 0.000 . 1 . . . . . 116 L HD1 . 28061 1 1301 . 1 . 1 116 116 LEU HD13 H 1 0.796 0.000 . 1 . . . . . 116 L HD1 . 28061 1 1302 . 1 . 1 116 116 LEU HD21 H 1 0.818 0.004 . 1 . . . . . 116 L HD2 . 28061 1 1303 . 1 . 1 116 116 LEU HD22 H 1 0.818 0.004 . 1 . . . . . 116 L HD2 . 28061 1 1304 . 1 . 1 116 116 LEU HD23 H 1 0.818 0.004 . 1 . . . . . 116 L HD2 . 28061 1 1305 . 1 . 1 116 116 LEU C C 13 178.477 0.000 . 1 . . . . . 116 L C . 28061 1 1306 . 1 . 1 116 116 LEU CA C 13 58.474 0.091 . 1 . . . . . 116 L CA . 28061 1 1307 . 1 . 1 116 116 LEU CB C 13 42.253 0.072 . 1 . . . . . 116 L CB . 28061 1 1308 . 1 . 1 116 116 LEU CG C 13 25.872 0.000 . 1 . . . . . 116 L CG . 28061 1 1309 . 1 . 1 116 116 LEU CD1 C 13 23.185 0.000 . 1 . . . . . 116 L CD1 . 28061 1 1310 . 1 . 1 116 116 LEU CD2 C 13 25.820 0.125 . 1 . . . . . 116 L CD2 . 28061 1 1311 . 1 . 1 116 116 LEU N N 15 124.260 0.093 . 1 . . . . . 116 L N . 28061 1 1312 . 1 . 1 117 117 ILE H H 1 8.630 0.006 . 1 . . . . . 117 I H . 28061 1 1313 . 1 . 1 117 117 ILE HA H 1 3.419 0.010 . 1 . . . . . 117 I HA . 28061 1 1314 . 1 . 1 117 117 ILE HB H 1 1.911 0.007 . 1 . . . . . 117 I HB . 28061 1 1315 . 1 . 1 117 117 ILE HG12 H 1 2.393 0.001 . 2 . . . . . 117 I HG12 . 28061 1 1316 . 1 . 1 117 117 ILE HG21 H 1 0.831 0.005 . 1 . . . . . 117 I HG2 . 28061 1 1317 . 1 . 1 117 117 ILE HG22 H 1 0.831 0.005 . 1 . . . . . 117 I HG2 . 28061 1 1318 . 1 . 1 117 117 ILE HG23 H 1 0.831 0.005 . 1 . . . . . 117 I HG2 . 28061 1 1319 . 1 . 1 117 117 ILE HD11 H 1 0.838 0.006 . 1 . . . . . 117 I HD1 . 28061 1 1320 . 1 . 1 117 117 ILE HD12 H 1 0.838 0.006 . 1 . . . . . 117 I HD1 . 28061 1 1321 . 1 . 1 117 117 ILE HD13 H 1 0.838 0.006 . 1 . . . . . 117 I HD1 . 28061 1 1322 . 1 . 1 117 117 ILE C C 13 178.541 0.000 . 1 . . . . . 117 I C . 28061 1 1323 . 1 . 1 117 117 ILE CA C 13 66.503 0.108 . 1 . . . . . 117 I CA . 28061 1 1324 . 1 . 1 117 117 ILE CB C 13 38.006 0.113 . 1 . . . . . 117 I CB . 28061 1 1325 . 1 . 1 117 117 ILE CG1 C 13 31.539 0.022 . 1 . . . . . 117 I CG1 . 28061 1 1326 . 1 . 1 117 117 ILE CG2 C 13 17.547 0.069 . 1 . . . . . 117 I CG2 . 28061 1 1327 . 1 . 1 117 117 ILE CD1 C 13 14.239 0.126 . 1 . . . . . 117 I CD1 . 28061 1 1328 . 1 . 1 117 117 ILE N N 15 119.669 0.066 . 1 . . . . . 117 I N . 28061 1 1329 . 1 . 1 118 118 GLY H H 1 7.927 0.003 . 1 . . . . . 118 G H . 28061 1 1330 . 1 . 1 118 118 GLY HA2 H 1 3.826 0.055 . 2 . . . . . 118 G HA2 . 28061 1 1331 . 1 . 1 118 118 GLY HA3 H 1 3.947 0.012 . 2 . . . . . 118 G HA3 . 28061 1 1332 . 1 . 1 118 118 GLY C C 13 179.339 0.000 . 1 . . . . . 118 G C . 28061 1 1333 . 1 . 1 118 118 GLY CA C 13 47.382 0.127 . 1 . . . . . 118 G CA . 28061 1 1334 . 1 . 1 118 118 GLY N N 15 105.350 0.082 . 1 . . . . . 118 G N . 28061 1 1335 . 1 . 1 119 119 LEU H H 1 7.703 0.004 . 1 . . . . . 119 L H . 28061 1 1336 . 1 . 1 119 119 LEU HA H 1 4.329 0.014 . 1 . . . . . 119 L HA . 28061 1 1337 . 1 . 1 119 119 LEU HB2 H 1 1.818 0.090 . 2 . . . . . 119 L HB2 . 28061 1 1338 . 1 . 1 119 119 LEU HB3 H 1 1.882 0.005 . 2 . . . . . 119 L HB3 . 28061 1 1339 . 1 . 1 119 119 LEU HG H 1 1.859 0.003 . 1 . . . . . 119 L HG . 28061 1 1340 . 1 . 1 119 119 LEU HD11 H 1 0.927 0.018 . 1 . . . . . 119 L HD1 . 28061 1 1341 . 1 . 1 119 119 LEU HD12 H 1 0.927 0.018 . 1 . . . . . 119 L HD1 . 28061 1 1342 . 1 . 1 119 119 LEU HD13 H 1 0.927 0.018 . 1 . . . . . 119 L HD1 . 28061 1 1343 . 1 . 1 119 119 LEU HD21 H 1 0.956 0.013 . 1 . . . . . 119 L HD2 . 28061 1 1344 . 1 . 1 119 119 LEU HD22 H 1 0.956 0.013 . 1 . . . . . 119 L HD2 . 28061 1 1345 . 1 . 1 119 119 LEU HD23 H 1 0.956 0.013 . 1 . . . . . 119 L HD2 . 28061 1 1346 . 1 . 1 119 119 LEU C C 13 179.432 0.000 . 1 . . . . . 119 L C . 28061 1 1347 . 1 . 1 119 119 LEU CA C 13 56.997 0.147 . 1 . . . . . 119 L CA . 28061 1 1348 . 1 . 1 119 119 LEU CB C 13 42.739 0.097 . 1 . . . . . 119 L CB . 28061 1 1349 . 1 . 1 119 119 LEU CG C 13 26.806 0.112 . 1 . . . . . 119 L CG . 28061 1 1350 . 1 . 1 119 119 LEU CD1 C 13 23.908 0.143 . 1 . . . . . 119 L CD1 . 28061 1 1351 . 1 . 1 119 119 LEU CD2 C 13 27.024 0.156 . 1 . . . . . 119 L CD2 . 28061 1 1352 . 1 . 1 119 119 LEU N N 15 120.115 0.060 . 1 . . . . . 119 L N . 28061 1 1353 . 1 . 1 120 120 MET H H 1 8.207 0.007 . 1 . . . . . 120 M H . 28061 1 1354 . 1 . 1 120 120 MET HA H 1 4.523 0.022 . 1 . . . . . 120 M HA . 28061 1 1355 . 1 . 1 120 120 MET HB2 H 1 2.133 0.008 . 2 . . . . . 120 M HB2 . 28061 1 1356 . 1 . 1 120 120 MET HB3 H 1 2.081 0.000 . 2 . . . . . 120 M HB3 . 28061 1 1357 . 1 . 1 120 120 MET HG2 H 1 2.772 0.004 . 2 . . . . . 120 M HG2 . 28061 1 1358 . 1 . 1 120 120 MET HG3 H 1 2.638 0.006 . 2 . . . . . 120 M HG3 . 28061 1 1359 . 1 . 1 120 120 MET HE1 H 1 1.868 0.003 . 1 . . . . . 120 M HE . 28061 1 1360 . 1 . 1 120 120 MET HE2 H 1 1.868 0.003 . 1 . . . . . 120 M HE . 28061 1 1361 . 1 . 1 120 120 MET HE3 H 1 1.868 0.003 . 1 . . . . . 120 M HE . 28061 1 1362 . 1 . 1 120 120 MET C C 13 177.818 0.000 . 1 . . . . . 120 M C . 28061 1 1363 . 1 . 1 120 120 MET CA C 13 56.838 0.085 . 1 . . . . . 120 M CA . 28061 1 1364 . 1 . 1 120 120 MET CB C 13 32.927 0.132 . 1 . . . . . 120 M CB . 28061 1 1365 . 1 . 1 120 120 MET CG C 13 34.190 0.075 . 1 . . . . . 120 M CG . 28061 1 1366 . 1 . 1 120 120 MET CE C 13 18.293 0.055 . 1 . . . . . 120 M CE . 28061 1 1367 . 1 . 1 120 120 MET N N 15 116.474 0.081 . 1 . . . . . 120 M N . 28061 1 1368 . 1 . 1 121 121 LYS H H 1 7.853 0.008 . 1 . . . . . 121 K H . 28061 1 1369 . 1 . 1 121 121 LYS HA H 1 4.015 0.008 . 1 . . . . . 121 K HA . 28061 1 1370 . 1 . 1 121 121 LYS HB2 H 1 1.907 0.010 . 2 . . . . . 121 K HB2 . 28061 1 1371 . 1 . 1 121 121 LYS HB3 H 1 2.206 0.000 . 2 . . . . . 121 K HB3 . 28061 1 1372 . 1 . 1 121 121 LYS HG2 H 1 1.608 0.019 . 2 . . . . . 121 K HG2 . 28061 1 1373 . 1 . 1 121 121 LYS HG3 H 1 1.489 0.014 . 2 . . . . . 121 K HG3 . 28061 1 1374 . 1 . 1 121 121 LYS HD2 H 1 1.593 0.000 . 2 . . . . . 121 K HD2 . 28061 1 1375 . 1 . 1 121 121 LYS HD3 H 1 1.500 0.003 . 2 . . . . . 121 K HD3 . 28061 1 1376 . 1 . 1 121 121 LYS HE2 H 1 2.982 0.025 . 2 . . . . . 121 K HE2 . 28061 1 1377 . 1 . 1 121 121 LYS HE3 H 1 3.439 0.115 . 2 . . . . . 121 K HE3 . 28061 1 1378 . 1 . 1 121 121 LYS C C 13 178.207 0.000 . 1 . . . . . 121 K C . 28061 1 1379 . 1 . 1 121 121 LYS CA C 13 59.969 0.222 . 1 . . . . . 121 K CA . 28061 1 1380 . 1 . 1 121 121 LYS CB C 13 32.109 0.086 . 1 . . . . . 121 K CB . 28061 1 1381 . 1 . 1 121 121 LYS CG C 13 25.276 0.175 . 1 . . . . . 121 K CG . 28061 1 1382 . 1 . 1 121 121 LYS CD C 13 25.12 0.083 . 1 . . . . . 121 K CD . 28061 1 1383 . 1 . 1 121 121 LYS CE C 13 42.173 0.042 . 1 . . . . . 121 K CE . 28061 1 1384 . 1 . 1 121 121 LYS N N 15 120.591 0.062 . 1 . . . . . 121 K N . 28061 1 1385 . 1 . 1 122 122 ASP H H 1 7.998 0.002 . 1 . . . . . 122 D H . 28061 1 1386 . 1 . 1 122 122 ASP HA H 1 4.392 0.008 . 1 . . . . . 122 D HA . 28061 1 1387 . 1 . 1 122 122 ASP HB2 H 1 2.223 0.092 . 2 . . . . . 122 D HB2 . 28061 1 1388 . 1 . 1 122 122 ASP HB3 H 1 2.397 0.012 . 2 . . . . . 122 D HB3 . 28061 1 1389 . 1 . 1 122 122 ASP C C 13 177.244 0.000 . 1 . . . . . 122 D C . 28061 1 1390 . 1 . 1 122 122 ASP CA C 13 56.577 0.097 . 1 . . . . . 122 D CA . 28061 1 1391 . 1 . 1 122 122 ASP CB C 13 40.123 0.085 . 1 . . . . . 122 D CB . 28061 1 1392 . 1 . 1 122 122 ASP N N 15 118.107 0.063 . 1 . . . . . 122 D N . 28061 1 1393 . 1 . 1 123 123 TYR H H 1 7.726 0.006 . 1 . . . . . 123 Y H . 28061 1 1394 . 1 . 1 123 123 TYR HA H 1 4.501 0.012 . 1 . . . . . 123 Y HA . 28061 1 1395 . 1 . 1 123 123 TYR HB2 H 1 2.770 0.106 . 2 . . . . . 123 Y HB2 . 28061 1 1396 . 1 . 1 123 123 TYR HB3 H 1 3.200 0.007 . 2 . . . . . 123 Y HB3 . 28061 1 1397 . 1 . 1 123 123 TYR C C 13 176.500 0.000 . 1 . . . . . 123 Y C . 28061 1 1398 . 1 . 1 123 123 TYR CA C 13 58.609 0.150 . 1 . . . . . 123 Y CA . 28061 1 1399 . 1 . 1 123 123 TYR CB C 13 39.246 0.174 . 1 . . . . . 123 Y CB . 28061 1 1400 . 1 . 1 123 123 TYR N N 15 116.798 0.075 . 1 . . . . . 123 Y N . 28061 1 1401 . 1 . 1 124 124 MET H H 1 7.589 0.006 . 1 . . . . . 124 M H . 28061 1 1402 . 1 . 1 124 124 MET HA H 1 4.309 0.012 . 1 . . . . . 124 M HA . 28061 1 1403 . 1 . 1 124 124 MET HB2 H 1 2.149 0.006 . 2 . . . . . 124 M HB2 . 28061 1 1404 . 1 . 1 124 124 MET HB3 H 1 1.928 0.009 . 2 . . . . . 124 M HB3 . 28061 1 1405 . 1 . 1 124 124 MET HG2 H 1 2.617 0.010 . 2 . . . . . 124 M HG2 . 28061 1 1406 . 1 . 1 124 124 MET HG3 H 1 2.250 0.185 . 2 . . . . . 124 M HG3 . 28061 1 1407 . 1 . 1 124 124 MET HE1 H 1 1.898 0.006 . 1 . . . . . 124 M HE . 28061 1 1408 . 1 . 1 124 124 MET HE2 H 1 1.898 0.006 . 1 . . . . . 124 M HE . 28061 1 1409 . 1 . 1 124 124 MET HE3 H 1 1.898 0.006 . 1 . . . . . 124 M HE . 28061 1 1410 . 1 . 1 124 124 MET C C 13 176.064 0.000 . 1 . . . . . 124 M C . 28061 1 1411 . 1 . 1 124 124 MET CA C 13 56.357 0.067 . 1 . . . . . 124 M CA . 28061 1 1412 . 1 . 1 124 124 MET CB C 13 34.509 0.089 . 1 . . . . . 124 M CB . 28061 1 1413 . 1 . 1 124 124 MET CG C 13 32.206 0.094 . 1 . . . . . 124 M CG . 28061 1 1414 . 1 . 1 124 124 MET CE C 13 17.365 0.060 . 1 . . . . . 124 M CE . 28061 1 1415 . 1 . 1 124 124 MET N N 15 115.752 0.096 . 1 . . . . . 124 M N . 28061 1 1416 . 1 . 1 125 125 GLY H H 1 8.046 0.001 . 1 . . . . . 125 G H . 28061 1 1417 . 1 . 1 125 125 GLY HA2 H 1 4.009 0.042 . 2 . . . . . 125 G HA2 . 28061 1 1418 . 1 . 1 125 125 GLY HA3 H 1 3.852 0.006 . 2 . . . . . 125 G HA3 . 28061 1 1419 . 1 . 1 125 125 GLY C C 13 177.032 0.000 . 1 . . . . . 125 G C . 28061 1 1420 . 1 . 1 125 125 GLY CA C 13 45.556 0.125 . 1 . . . . . 125 G CA . 28061 1 1421 . 1 . 1 125 125 GLY N N 15 108.063 0.102 . 1 . . . . . 125 G N . 28061 1 1422 . 1 . 1 126 126 ARG H H 1 8.444 0.003 . 1 . . . . . 126 R H . 28061 1 1423 . 1 . 1 126 126 ARG HA H 1 4.355 0.019 . 1 . . . . . 126 R HA . 28061 1 1424 . 1 . 1 126 126 ARG HB2 H 1 1.889 0.007 . 2 . . . . . 126 R HB2 . 28061 1 1425 . 1 . 1 126 126 ARG HB3 H 1 1.811 0.005 . 2 . . . . . 126 R HB3 . 28061 1 1426 . 1 . 1 126 126 ARG HG2 H 1 1.663 0.015 . 2 . . . . . 126 R HG2 . 28061 1 1427 . 1 . 1 126 126 ARG HG3 H 1 1.619 0.015 . 2 . . . . . 126 R HG3 . 28061 1 1428 . 1 . 1 126 126 ARG HD2 H 1 3.198 0.005 . 2 . . . . . 126 R HD2 . 28061 1 1429 . 1 . 1 126 126 ARG HD3 H 1 3.111 0.002 . 2 . . . . . 126 R HD3 . 28061 1 1430 . 1 . 1 126 126 ARG C C 13 176.956 0.000 . 1 . . . . . 126 R C . 28061 1 1431 . 1 . 1 126 126 ARG CA C 13 56.671 0.157 . 1 . . . . . 126 R CA . 28061 1 1432 . 1 . 1 126 126 ARG CB C 13 31.028 0.210 . 1 . . . . . 126 R CB . 28061 1 1433 . 1 . 1 126 126 ARG CG C 13 27.135 0.065 . 1 . . . . . 126 R CG . 28061 1 1434 . 1 . 1 126 126 ARG CD C 13 43.458 0.134 . 1 . . . . . 126 R CD . 28061 1 1435 . 1 . 1 126 126 ARG N N 15 120.928 0.077 . 1 . . . . . 126 R N . 28061 1 1436 . 1 . 1 127 127 GLY H H 1 8.474 0.007 . 1 . . . . . 127 G H . 28061 1 1437 . 1 . 1 127 127 GLY HA2 H 1 3.958 0.002 . 2 . . . . . 127 G HA2 . 28061 1 1438 . 1 . 1 127 127 GLY HA3 H 1 3.857 0.005 . 2 . . . . . 127 G HA3 . 28061 1 1439 . 1 . 1 127 127 GLY C C 13 173.674 0.000 . 1 . . . . . 127 G C . 28061 1 1440 . 1 . 1 127 127 GLY CA C 13 45.264 0.137 . 1 . . . . . 127 G CA . 28061 1 1441 . 1 . 1 127 127 GLY N N 15 109.511 0.099 . 1 . . . . . 127 G N . 28061 1 1442 . 1 . 1 128 128 LYS H H 1 8.019 0.004 . 1 . . . . . 128 K H . 28061 1 1443 . 1 . 1 128 128 LYS HA H 1 4.297 0.010 . 1 . . . . . 128 K HA . 28061 1 1444 . 1 . 1 128 128 LYS HB2 H 1 1.731 0.046 . 2 . . . . . 128 K HB2 . 28061 1 1445 . 1 . 1 128 128 LYS HB3 H 1 1.778 0.005 . 2 . . . . . 128 K HB3 . 28061 1 1446 . 1 . 1 128 128 LYS HG2 H 1 1.268 0.065 . 2 . . . . . 128 K HG2 . 28061 1 1447 . 1 . 1 128 128 LYS HG3 H 1 1.349 0.009 . 2 . . . . . 128 K HG3 . 28061 1 1448 . 1 . 1 128 128 LYS HD2 H 1 1.441 0.083 . 2 . . . . . 128 K HD2 . 28061 1 1449 . 1 . 1 128 128 LYS HD3 H 1 2.006 0.380 . 2 . . . . . 128 K HD3 . 28061 1 1450 . 1 . 1 128 128 LYS HE2 H 1 3.198 0.092 . 2 . . . . . 128 K HE2 . 28061 1 1451 . 1 . 1 128 128 LYS HE3 H 1 3.043 0.115 . 2 . . . . . 128 K HE3 . 28061 1 1452 . 1 . 1 128 128 LYS C C 13 178.239 0.000 . 1 . . . . . 128 K C . 28061 1 1453 . 1 . 1 128 128 LYS CA C 13 56.305 0.086 . 1 . . . . . 128 K CA . 28061 1 1454 . 1 . 1 128 128 LYS CB C 13 33.215 0.078 . 1 . . . . . 128 K CB . 28061 1 1455 . 1 . 1 128 128 LYS CG C 13 24.821 0.112 . 1 . . . . . 128 K CG . 28061 1 1456 . 1 . 1 128 128 LYS CD C 13 29.159 0.191 . 1 . . . . . 128 K CD . 28061 1 1457 . 1 . 1 128 128 LYS CE C 13 42.197 0.237 . 1 . . . . . 128 K CE . 28061 1 1458 . 1 . 1 128 128 LYS N N 15 120.066 0.140 . 1 . . . . . 128 K N . 28061 1 1459 . 1 . 1 129 129 ILE H H 1 8.022 0.002 . 1 . . . . . 129 I H . 28061 1 1460 . 1 . 1 129 129 ILE HA H 1 4.254 0.014 . 1 . . . . . 129 I HA . 28061 1 1461 . 1 . 1 129 129 ILE HB H 1 1.777 0.011 . 1 . . . . . 129 I HB . 28061 1 1462 . 1 . 1 129 129 ILE HG12 H 1 1.435 0.007 . 2 . . . . . 129 I HG12 . 28061 1 1463 . 1 . 1 129 129 ILE HG13 H 1 1.146 0.008 . 2 . . . . . 129 I HG13 . 28061 1 1464 . 1 . 1 129 129 ILE HG21 H 1 0.824 0.007 . 1 . . . . . 129 I HG2 . 28061 1 1465 . 1 . 1 129 129 ILE HG22 H 1 0.824 0.007 . 1 . . . . . 129 I HG2 . 28061 1 1466 . 1 . 1 129 129 ILE HG23 H 1 0.824 0.007 . 1 . . . . . 129 I HG2 . 28061 1 1467 . 1 . 1 129 129 ILE HD11 H 1 0.771 0.012 . 1 . . . . . 129 I HD1 . 28061 1 1468 . 1 . 1 129 129 ILE HD12 H 1 0.771 0.012 . 1 . . . . . 129 I HD1 . 28061 1 1469 . 1 . 1 129 129 ILE HD13 H 1 0.771 0.012 . 1 . . . . . 129 I HD1 . 28061 1 1470 . 1 . 1 129 129 ILE CA C 13 60.120 0.143 . 1 . . . . . 129 I CA . 28061 1 1471 . 1 . 1 129 129 ILE CB C 13 39.314 0.101 . 1 . . . . . 129 I CB . 28061 1 1472 . 1 . 1 129 129 ILE CG1 C 13 27.293 0.065 . 1 . . . . . 129 I CG1 . 28061 1 1473 . 1 . 1 129 129 ILE CG2 C 13 17.497 0.076 . 1 . . . . . 129 I CG2 . 28061 1 1474 . 1 . 1 129 129 ILE CD1 C 13 13.332 0.076 . 1 . . . . . 129 I CD1 . 28061 1 1475 . 1 . 1 129 129 ILE N N 15 120.750 0.071 . 1 . . . . . 129 I N . 28061 1 1476 . 1 . 1 130 130 SER H H 1 8.291 0.008 . 1 . . . . . 130 S H . 28061 1 1477 . 1 . 1 130 130 SER HA H 1 4.425 0.025 . 1 . . . . . 130 S HA . 28061 1 1478 . 1 . 1 130 130 SER HB2 H 1 3.914 0.011 . 2 . . . . . 130 S HB2 . 28061 1 1479 . 1 . 1 130 130 SER HB3 H 1 3.800 0.004 . 2 . . . . . 130 S HB3 . 28061 1 1480 . 1 . 1 130 130 SER C C 13 174.638 0.000 . 1 . . . . . 130 S C . 28061 1 1481 . 1 . 1 130 130 SER CA C 13 58.140 0.188 . 1 . . . . . 130 S CA . 28061 1 1482 . 1 . 1 130 130 SER CB C 13 63.988 0.096 . 1 . . . . . 130 S CB . 28061 1 1483 . 1 . 1 130 130 SER N N 15 120.269 0.128 . 1 . . . . . 130 S N . 28061 1 1484 . 1 . 1 131 131 LYS H H 1 8.316 0.002 . 1 . . . . . 131 K H . 28061 1 1485 . 1 . 1 131 131 LYS HA H 1 4.235 0.017 . 1 . . . . . 131 K HA . 28061 1 1486 . 1 . 1 131 131 LYS HB2 H 1 1.682 0.058 . 2 . . . . . 131 K HB2 . 28061 1 1487 . 1 . 1 131 131 LYS HB3 H 1 1.824 0.032 . 2 . . . . . 131 K HB3 . 28061 1 1488 . 1 . 1 131 131 LYS HG2 H 1 1.437 0.067 . 2 . . . . . 131 K HG2 . 28061 1 1489 . 1 . 1 131 131 LYS HG3 H 1 1.674 0.005 . 2 . . . . . 131 K HG3 . 28061 1 1490 . 1 . 1 131 131 LYS HD2 H 1 1.433 0.006 . 2 . . . . . 131 K HD2 . 28061 1 1491 . 1 . 1 131 131 LYS HD3 H 1 1.673 0.005 . 2 . . . . . 131 K HD3 . 28061 1 1492 . 1 . 1 131 131 LYS HE2 H 1 2.990 0.064 . 2 . . . . . 131 K HE2 . 28061 1 1493 . 1 . 1 131 131 LYS HE3 H 1 3.208 0.019 . 2 . . . . . 131 K HE3 . 28061 1 1494 . 1 . 1 131 131 LYS C C 13 175.918 0.000 . 1 . . . . . 131 K C . 28061 1 1495 . 1 . 1 131 131 LYS CA C 13 57.269 0.056 . 1 . . . . . 131 K CA . 28061 1 1496 . 1 . 1 131 131 LYS CB C 13 32.868 0.100 . 1 . . . . . 131 K CB . 28061 1 1497 . 1 . 1 131 131 LYS CG C 13 24.879 0.089 . 1 . . . . . 131 K CG . 28061 1 1498 . 1 . 1 131 131 LYS CD C 13 29.171 0.065 . 1 . . . . . 131 K CD . 28061 1 1499 . 1 . 1 131 131 LYS CE C 13 42.101 0.099 . 1 . . . . . 131 K CE . 28061 1 1500 . 1 . 1 131 131 LYS N N 15 121.684 0.046 . 1 . . . . . 131 K N . 28061 1 1501 . 1 . 1 132 132 GLU H H 1 8.387 0.004 . 1 . . . . . 132 E H . 28061 1 1502 . 1 . 1 132 132 GLU HA H 1 4.258 0.007 . 1 . . . . . 132 E HA . 28061 1 1503 . 1 . 1 132 132 GLU HB3 H 1 2.027 0.032 . 2 . . . . . 132 E HB3 . 28061 1 1504 . 1 . 1 132 132 GLU HG2 H 1 2.221 0.007 . 2 . . . . . 132 E HG2 . 28061 1 1505 . 1 . 1 132 132 GLU HG3 H 1 2.263 0.006 . 2 . . . . . 132 E HG3 . 28061 1 1506 . 1 . 1 132 132 GLU C C 13 176.154 0.000 . 1 . . . . . 132 E C . 28061 1 1507 . 1 . 1 132 132 GLU CA C 13 56.534 0.078 . 1 . . . . . 132 E CA . 28061 1 1508 . 1 . 1 132 132 GLU CB C 13 29.277 0.203 . 1 . . . . . 132 E CB . 28061 1 1509 . 1 . 1 132 132 GLU CG C 13 36.341 0.159 . 1 . . . . . 132 E CG . 28061 1 1510 . 1 . 1 132 132 GLU N N 15 119.709 0.044 . 1 . . . . . 132 E N . 28061 1 1511 . 1 . 1 133 133 LYS H H 1 7.705 0.006 . 1 . . . . . 133 K H . 28061 1 1512 . 1 . 1 133 133 LYS HA H 1 4.355 0.104 . 1 . . . . . 133 K HA . 28061 1 1513 . 1 . 1 133 133 LYS HB2 H 1 1.780 0.019 . 2 . . . . . 133 K HB2 . 28061 1 1514 . 1 . 1 133 133 LYS HB3 H 1 1.902 0.000 . 2 . . . . . 133 K HB3 . 28061 1 1515 . 1 . 1 133 133 LYS HE3 H 1 3.107 0.000 . 2 . . . . . 133 K HE3 . 28061 1 1516 . 1 . 1 133 133 LYS C C 13 175.065 0.000 . 1 . . . . . 133 K C . 28061 1 1517 . 1 . 1 133 133 LYS CA C 13 55.622 0.087 . 1 . . . . . 133 K CA . 28061 1 1518 . 1 . 1 133 133 LYS CB C 13 33.512 0.130 . 1 . . . . . 133 K CB . 28061 1 1519 . 1 . 1 133 133 LYS N N 15 121.087 0.047 . 1 . . . . . 133 K N . 28061 1 1520 . 1 . 1 134 134 SER H H 1 8.688 0.012 . 1 . . . . . 134 S H . 28061 1 1521 . 1 . 1 134 134 SER HA H 1 4.591 0.007 . 1 . . . . . 134 S HA . 28061 1 1522 . 1 . 1 134 134 SER HB2 H 1 4.304 0.007 . 2 . . . . . 134 S HB2 . 28061 1 1523 . 1 . 1 134 134 SER HB3 H 1 3.972 0.013 . 2 . . . . . 134 S HB3 . 28061 1 1524 . 1 . 1 134 134 SER C C 13 174.844 0.000 . 1 . . . . . 134 S C . 28061 1 1525 . 1 . 1 134 134 SER CA C 13 56.595 0.078 . 1 . . . . . 134 S CA . 28061 1 1526 . 1 . 1 134 134 SER CB C 13 65.790 0.070 . 1 . . . . . 134 S CB . 28061 1 1527 . 1 . 1 134 134 SER N N 15 115.868 0.075 . 1 . . . . . 134 S N . 28061 1 1528 . 1 . 1 135 135 PHE H H 1 9.235 0.002 . 1 . . . . . 135 F H . 28061 1 1529 . 1 . 1 135 135 PHE HA H 1 4.000 0.008 . 1 . . . . . 135 F HA . 28061 1 1530 . 1 . 1 135 135 PHE HB2 H 1 3.164 0.121 . 2 . . . . . 135 F HB2 . 28061 1 1531 . 1 . 1 135 135 PHE HB3 H 1 2.952 0.013 . 2 . . . . . 135 F HB3 . 28061 1 1532 . 1 . 1 135 135 PHE C C 13 176.154 0.000 . 1 . . . . . 135 F C . 28061 1 1533 . 1 . 1 135 135 PHE CA C 13 61.852 0.079 . 1 . . . . . 135 F CA . 28061 1 1534 . 1 . 1 135 135 PHE CB C 13 39.305 0.122 . 1 . . . . . 135 F CB . 28061 1 1535 . 1 . 1 135 135 PHE N N 15 120.578 0.127 . 1 . . . . . 135 F N . 28061 1 1536 . 1 . 1 136 136 LEU H H 1 7.747 0.005 . 1 . . . . . 136 L H . 28061 1 1537 . 1 . 1 136 136 LEU HA H 1 3.208 0.011 . 1 . . . . . 136 L HA . 28061 1 1538 . 1 . 1 136 136 LEU HB2 H 1 0.769 0.137 . 2 . . . . . 136 L HB2 . 28061 1 1539 . 1 . 1 136 136 LEU HB3 H 1 1.444 0.008 . 2 . . . . . 136 L HB3 . 28061 1 1540 . 1 . 1 136 136 LEU HG H 1 1.556 0.008 . 1 . . . . . 136 L HG . 28061 1 1541 . 1 . 1 136 136 LEU HD11 H 1 -0.327 0.006 . 1 . . . . . 136 L HD1 . 28061 1 1542 . 1 . 1 136 136 LEU HD12 H 1 -0.327 0.006 . 1 . . . . . 136 L HD1 . 28061 1 1543 . 1 . 1 136 136 LEU HD13 H 1 -0.327 0.006 . 1 . . . . . 136 L HD1 . 28061 1 1544 . 1 . 1 136 136 LEU HD21 H 1 0.549 0.064 . 1 . . . . . 136 L HD2 . 28061 1 1545 . 1 . 1 136 136 LEU HD22 H 1 0.549 0.064 . 1 . . . . . 136 L HD2 . 28061 1 1546 . 1 . 1 136 136 LEU HD23 H 1 0.549 0.064 . 1 . . . . . 136 L HD2 . 28061 1 1547 . 1 . 1 136 136 LEU C C 13 178.679 0.000 . 1 . . . . . 136 L C . 28061 1 1548 . 1 . 1 136 136 LEU CA C 13 57.612 0.103 . 1 . . . . . 136 L CA . 28061 1 1549 . 1 . 1 136 136 LEU CB C 13 39.135 0.090 . 1 . . . . . 136 L CB . 28061 1 1550 . 1 . 1 136 136 LEU CG C 13 25.825 0.146 . 1 . . . . . 136 L CG . 28061 1 1551 . 1 . 1 136 136 LEU CD1 C 13 19.666 0.162 . 1 . . . . . 136 L CD1 . 28061 1 1552 . 1 . 1 136 136 LEU CD2 C 13 24.673 0.096 . 1 . . . . . 136 L CD2 . 28061 1 1553 . 1 . 1 136 136 LEU N N 15 115.066 0.078 . 1 . . . . . 136 L N . 28061 1 1554 . 1 . 1 137 137 ASP H H 1 7.487 0.003 . 1 . . . . . 137 D H . 28061 1 1555 . 1 . 1 137 137 ASP HA H 1 4.261 0.004 . 1 . . . . . 137 D HA . 28061 1 1556 . 1 . 1 137 137 ASP HB2 H 1 2.559 0.137 . 2 . . . . . 137 D HB2 . 28061 1 1557 . 1 . 1 137 137 ASP HB3 H 1 2.870 0.008 . 2 . . . . . 137 D HB3 . 28061 1 1558 . 1 . 1 137 137 ASP C C 13 179.159 0.000 . 1 . . . . . 137 D C . 28061 1 1559 . 1 . 1 137 137 ASP CA C 13 57.039 0.291 . 1 . . . . . 137 D CA . 28061 1 1560 . 1 . 1 137 137 ASP CB C 13 40.785 0.082 . 1 . . . . . 137 D CB . 28061 1 1561 . 1 . 1 137 137 ASP N N 15 118.286 0.037 . 1 . . . . . 137 D N . 28061 1 1562 . 1 . 1 138 138 LEU H H 1 7.748 0.148 . 1 . . . . . 138 L H . 28061 1 1563 . 1 . 1 138 138 LEU HA H 1 3.963 0.048 . 1 . . . . . 138 L HA . 28061 1 1564 . 1 . 1 138 138 LEU HB2 H 1 1.874 0.000 . 2 . . . . . 138 L HB2 . 28061 1 1565 . 1 . 1 138 138 LEU HB3 H 1 1.986 0.000 . 2 . . . . . 138 L HB3 . 28061 1 1566 . 1 . 1 138 138 LEU HG H 1 1.244 0.000 . 1 . . . . . 138 L HG . 28061 1 1567 . 1 . 1 138 138 LEU HD11 H 1 0.983 0.003 . 1 . . . . . 138 L HD1 . 28061 1 1568 . 1 . 1 138 138 LEU HD12 H 1 0.983 0.003 . 1 . . . . . 138 L HD1 . 28061 1 1569 . 1 . 1 138 138 LEU HD13 H 1 0.983 0.003 . 1 . . . . . 138 L HD1 . 28061 1 1570 . 1 . 1 138 138 LEU HD21 H 1 0.815 0.004 . 1 . . . . . 138 L HD2 . 28061 1 1571 . 1 . 1 138 138 LEU HD22 H 1 0.815 0.004 . 1 . . . . . 138 L HD2 . 28061 1 1572 . 1 . 1 138 138 LEU HD23 H 1 0.815 0.004 . 1 . . . . . 138 L HD2 . 28061 1 1573 . 1 . 1 138 138 LEU C C 13 177.577 0.000 . 1 . . . . . 138 L C . 28061 1 1574 . 1 . 1 138 138 LEU CA C 13 57.991 0.065 . 1 . . . . . 138 L CA . 28061 1 1575 . 1 . 1 138 138 LEU CB C 13 40.809 0.122 . 1 . . . . . 138 L CB . 28061 1 1576 . 1 . 1 138 138 LEU CD2 C 13 25.613 0.080 . 1 . . . . . 138 L CD2 . 28061 1 1577 . 1 . 1 138 138 LEU N N 15 121.267 0.153 . 1 . . . . . 138 L N . 28061 1 1578 . 1 . 1 139 139 VAL H H 1 8.181 0.002 . 1 . . . . . 139 V H . 28061 1 1579 . 1 . 1 139 139 VAL HA H 1 3.101 0.018 . 1 . . . . . 139 V HA . 28061 1 1580 . 1 . 1 139 139 VAL HB H 1 1.755 0.011 . 1 . . . . . 139 V HB . 28061 1 1581 . 1 . 1 139 139 VAL HG11 H 1 0.855 0.005 . 1 . . . . . 139 V HG1 . 28061 1 1582 . 1 . 1 139 139 VAL HG12 H 1 0.855 0.005 . 1 . . . . . 139 V HG1 . 28061 1 1583 . 1 . 1 139 139 VAL HG13 H 1 0.855 0.005 . 1 . . . . . 139 V HG1 . 28061 1 1584 . 1 . 1 139 139 VAL HG21 H 1 0.147 0.026 . 1 . . . . . 139 V HG2 . 28061 1 1585 . 1 . 1 139 139 VAL HG22 H 1 0.147 0.026 . 1 . . . . . 139 V HG2 . 28061 1 1586 . 1 . 1 139 139 VAL HG23 H 1 0.147 0.026 . 1 . . . . . 139 V HG2 . 28061 1 1587 . 1 . 1 139 139 VAL C C 13 177.455 0.000 . 1 . . . . . 139 V C . 28061 1 1588 . 1 . 1 139 139 VAL CA C 13 67.769 0.130 . 1 . . . . . 139 V CA . 28061 1 1589 . 1 . 1 139 139 VAL CB C 13 31.070 0.120 . 1 . . . . . 139 V CB . 28061 1 1590 . 1 . 1 139 139 VAL CG1 C 13 22.382 0.096 . 1 . . . . . 139 V CG1 . 28061 1 1591 . 1 . 1 139 139 VAL CG2 C 13 24.559 0.085 . 1 . . . . . 139 V CG2 . 28061 1 1592 . 1 . 1 139 139 VAL N N 15 119.012 0.109 . 1 . . . . . 139 V N . 28061 1 1593 . 1 . 1 140 140 VAL H H 1 7.839 0.004 . 1 . . . . . 140 V H . 28061 1 1594 . 1 . 1 140 140 VAL HA H 1 3.577 0.008 . 1 . . . . . 140 V HA . 28061 1 1595 . 1 . 1 140 140 VAL HB H 1 2.231 0.007 . 1 . . . . . 140 V HB . 28061 1 1596 . 1 . 1 140 140 VAL HG11 H 1 0.946 0.006 . 1 . . . . . 140 V HG1 . 28061 1 1597 . 1 . 1 140 140 VAL HG12 H 1 0.946 0.006 . 1 . . . . . 140 V HG1 . 28061 1 1598 . 1 . 1 140 140 VAL HG13 H 1 0.946 0.006 . 1 . . . . . 140 V HG1 . 28061 1 1599 . 1 . 1 140 140 VAL HG21 H 1 1.206 0.005 . 1 . . . . . 140 V HG2 . 28061 1 1600 . 1 . 1 140 140 VAL HG22 H 1 1.206 0.005 . 1 . . . . . 140 V HG2 . 28061 1 1601 . 1 . 1 140 140 VAL HG23 H 1 1.206 0.005 . 1 . . . . . 140 V HG2 . 28061 1 1602 . 1 . 1 140 140 VAL C C 13 178.463 0.000 . 1 . . . . . 140 V C . 28061 1 1603 . 1 . 1 140 140 VAL CA C 13 67.531 0.083 . 1 . . . . . 140 V CA . 28061 1 1604 . 1 . 1 140 140 VAL CB C 13 31.486 0.099 . 1 . . . . . 140 V CB . 28061 1 1605 . 1 . 1 140 140 VAL CG1 C 13 21.149 0.096 . 1 . . . . . 140 V CG1 . 28061 1 1606 . 1 . 1 140 140 VAL CG2 C 13 23.385 0.085 . 1 . . . . . 140 V CG2 . 28061 1 1607 . 1 . 1 140 140 VAL N N 15 118.498 0.072 . 1 . . . . . 140 V N . 28061 1 1608 . 1 . 1 141 141 GLU H H 1 7.677 0.005 . 1 . . . . . 141 E H . 28061 1 1609 . 1 . 1 141 141 GLU HA H 1 4.078 0.009 . 1 . . . . . 141 E HA . 28061 1 1610 . 1 . 1 141 141 GLU HB2 H 1 2.106 0.026 . 2 . . . . . 141 E HB2 . 28061 1 1611 . 1 . 1 141 141 GLU HB3 H 1 1.908 0.000 . 2 . . . . . 141 E HB3 . 28061 1 1612 . 1 . 1 141 141 GLU HG2 H 1 2.629 0.000 . 2 . . . . . 141 E HG2 . 28061 1 1613 . 1 . 1 141 141 GLU HG3 H 1 2.327 0.000 . 2 . . . . . 141 E HG3 . 28061 1 1614 . 1 . 1 141 141 GLU C C 13 179.486 0.000 . 1 . . . . . 141 E C . 28061 1 1615 . 1 . 1 141 141 GLU CA C 13 59.266 0.066 . 1 . . . . . 141 E CA . 28061 1 1616 . 1 . 1 141 141 GLU CB C 13 28.812 0.056 . 1 . . . . . 141 E CB . 28061 1 1617 . 1 . 1 141 141 GLU N N 15 119.493 0.107 . 1 . . . . . 141 E N . 28061 1 1618 . 1 . 1 142 142 LEU H H 1 8.641 0.007 . 1 . . . . . 142 L H . 28061 1 1619 . 1 . 1 142 142 LEU HA H 1 3.857 0.056 . 1 . . . . . 142 L HA . 28061 1 1620 . 1 . 1 142 142 LEU HB2 H 1 1.483 0.000 . 2 . . . . . 142 L HB2 . 28061 1 1621 . 1 . 1 142 142 LEU HB3 H 1 1.783 0.000 . 2 . . . . . 142 L HB3 . 28061 1 1622 . 1 . 1 142 142 LEU HG H 1 1.912 0.008 . 1 . . . . . 142 L HG . 28061 1 1623 . 1 . 1 142 142 LEU HD11 H 1 0.670 0.009 . 1 . . . . . 142 L HD1 . 28061 1 1624 . 1 . 1 142 142 LEU HD12 H 1 0.670 0.009 . 1 . . . . . 142 L HD1 . 28061 1 1625 . 1 . 1 142 142 LEU HD13 H 1 0.670 0.009 . 1 . . . . . 142 L HD1 . 28061 1 1626 . 1 . 1 142 142 LEU HD21 H 1 0.804 0.063 . 1 . . . . . 142 L HD2 . 28061 1 1627 . 1 . 1 142 142 LEU HD22 H 1 0.804 0.063 . 1 . . . . . 142 L HD2 . 28061 1 1628 . 1 . 1 142 142 LEU HD23 H 1 0.804 0.063 . 1 . . . . . 142 L HD2 . 28061 1 1629 . 1 . 1 142 142 LEU C C 13 180.383 0.000 . 1 . . . . . 142 L C . 28061 1 1630 . 1 . 1 142 142 LEU CA C 13 57.944 0.078 . 1 . . . . . 142 L CA . 28061 1 1631 . 1 . 1 142 142 LEU CB C 13 41.803 0.076 . 1 . . . . . 142 L CB . 28061 1 1632 . 1 . 1 142 142 LEU CG C 13 26.660 0.191 . 1 . . . . . 142 L CG . 28061 1 1633 . 1 . 1 142 142 LEU CD1 C 13 25.690 0.208 . 1 . . . . . 142 L CD1 . 28061 1 1634 . 1 . 1 142 142 LEU CD2 C 13 22.920 0.026 . 1 . . . . . 142 L CD2 . 28061 1 1635 . 1 . 1 142 142 LEU N N 15 118.391 0.094 . 1 . . . . . 142 L N . 28061 1 1636 . 1 . 1 143 143 GLU H H 1 9.067 0.008 . 1 . . . . . 143 E H . 28061 1 1637 . 1 . 1 143 143 GLU HA H 1 4.341 0.132 . 1 . . . . . 143 E HA . 28061 1 1638 . 1 . 1 143 143 GLU HB2 H 1 1.908 0.000 . 2 . . . . . 143 E HB2 . 28061 1 1639 . 1 . 1 143 143 GLU HB3 H 1 2.029 0.035 . 2 . . . . . 143 E HB3 . 28061 1 1640 . 1 . 1 143 143 GLU HG2 H 1 2.539 0.009 . 2 . . . . . 143 E HG2 . 28061 1 1641 . 1 . 1 143 143 GLU HG3 H 1 2.216 0.000 . 2 . . . . . 143 E HG3 . 28061 1 1642 . 1 . 1 143 143 GLU C C 13 182.007 0.000 . 1 . . . . . 143 E C . 28061 1 1643 . 1 . 1 143 143 GLU CA C 13 59.604 0.078 . 1 . . . . . 143 E CA . 28061 1 1644 . 1 . 1 143 143 GLU CB C 13 29.297 0.010 . 1 . . . . . 143 E CB . 28061 1 1645 . 1 . 1 143 143 GLU CG C 13 36.810 0.041 . 1 . . . . . 143 E CG . 28061 1 1646 . 1 . 1 143 143 GLU N N 15 122.494 0.069 . 1 . . . . . 143 E N . 28061 1 1647 . 1 . 1 144 144 LYS H H 1 8.131 0.005 . 1 . . . . . 144 K H . 28061 1 1648 . 1 . 1 144 144 LYS HA H 1 4.051 0.009 . 1 . . . . . 144 K HA . 28061 1 1649 . 1 . 1 144 144 LYS HB2 H 1 1.701 0.002 . 2 . . . . . 144 K HB2 . 28061 1 1650 . 1 . 1 144 144 LYS HB3 H 1 2.004 0.005 . 2 . . . . . 144 K HB3 . 28061 1 1651 . 1 . 1 144 144 LYS HG2 H 1 1.462 0.000 . 2 . . . . . 144 K HG2 . 28061 1 1652 . 1 . 1 144 144 LYS HG3 H 1 1.611 0.002 . 2 . . . . . 144 K HG3 . 28061 1 1653 . 1 . 1 144 144 LYS HE2 H 1 2.892 0.000 . 2 . . . . . 144 K HE2 . 28061 1 1654 . 1 . 1 144 144 LYS HE3 H 1 2.987 0.000 . 2 . . . . . 144 K HE3 . 28061 1 1655 . 1 . 1 144 144 LYS C C 13 178.328 0.000 . 1 . . . . . 144 K C . 28061 1 1656 . 1 . 1 144 144 LYS CA C 13 59.576 0.081 . 1 . . . . . 144 K CA . 28061 1 1657 . 1 . 1 144 144 LYS CB C 13 32.431 0.075 . 1 . . . . . 144 K CB . 28061 1 1658 . 1 . 1 144 144 LYS CG C 13 25.456 0.154 . 1 . . . . . 144 K CG . 28061 1 1659 . 1 . 1 144 144 LYS N N 15 122.302 0.085 . 1 . . . . . 144 K N . 28061 1 1660 . 1 . 1 145 145 LEU H H 1 7.353 0.006 . 1 . . . . . 145 L H . 28061 1 1661 . 1 . 1 145 145 LEU HA H 1 4.353 0.024 . 1 . . . . . 145 L HA . 28061 1 1662 . 1 . 1 145 145 LEU HB2 H 1 1.946 0.000 . 2 . . . . . 145 L HB2 . 28061 1 1663 . 1 . 1 145 145 LEU HB3 H 1 1.822 0.000 . 2 . . . . . 145 L HB3 . 28061 1 1664 . 1 . 1 145 145 LEU HG H 1 1.844 0.012 . 1 . . . . . 145 L HG . 28061 1 1665 . 1 . 1 145 145 LEU HD11 H 1 0.934 0.006 . 1 . . . . . 145 L HD1 . 28061 1 1666 . 1 . 1 145 145 LEU HD12 H 1 0.934 0.006 . 1 . . . . . 145 L HD1 . 28061 1 1667 . 1 . 1 145 145 LEU HD13 H 1 0.934 0.006 . 1 . . . . . 145 L HD1 . 28061 1 1668 . 1 . 1 145 145 LEU HD21 H 1 0.939 0.005 . 1 . . . . . 145 L HD2 . 28061 1 1669 . 1 . 1 145 145 LEU HD22 H 1 0.939 0.005 . 1 . . . . . 145 L HD2 . 28061 1 1670 . 1 . 1 145 145 LEU HD23 H 1 0.939 0.005 . 1 . . . . . 145 L HD2 . 28061 1 1671 . 1 . 1 145 145 LEU C C 13 175.723 0.000 . 1 . . . . . 145 L C . 28061 1 1672 . 1 . 1 145 145 LEU CA C 13 54.429 0.044 . 1 . . . . . 145 L CA . 28061 1 1673 . 1 . 1 145 145 LEU CB C 13 43.009 0.071 . 1 . . . . . 145 L CB . 28061 1 1674 . 1 . 1 145 145 LEU CG C 13 26.739 0.011 . 1 . . . . . 145 L CG . 28061 1 1675 . 1 . 1 145 145 LEU CD1 C 13 26.561 0.147 . 1 . . . . . 145 L CD1 . 28061 1 1676 . 1 . 1 145 145 LEU CD2 C 13 26.573 0.129 . 1 . . . . . 145 L CD2 . 28061 1 1677 . 1 . 1 145 145 LEU N N 15 116.878 0.076 . 1 . . . . . 145 L N . 28061 1 1678 . 1 . 1 146 146 ASN H H 1 8.178 0.005 . 1 . . . . . 146 N H . 28061 1 1679 . 1 . 1 146 146 ASN HA H 1 4.453 0.008 . 1 . . . . . 146 N HA . 28061 1 1680 . 1 . 1 146 146 ASN HB2 H 1 3.123 0.005 . 2 . . . . . 146 N HB2 . 28061 1 1681 . 1 . 1 146 146 ASN HB3 H 1 2.901 0.008 . 2 . . . . . 146 N HB3 . 28061 1 1682 . 1 . 1 146 146 ASN HD21 H 1 6.783 0.003 . 2 . . . . . 146 N HD21 . 28061 1 1683 . 1 . 1 146 146 ASN HD22 H 1 7.461 0.004 . 2 . . . . . 146 N HD22 . 28061 1 1684 . 1 . 1 146 146 ASN C C 13 174.726 0.000 . 1 . . . . . 146 N C . 28061 1 1685 . 1 . 1 146 146 ASN CA C 13 54.851 0.059 . 1 . . . . . 146 N CA . 28061 1 1686 . 1 . 1 146 146 ASN CB C 13 37.161 0.057 . 1 . . . . . 146 N CB . 28061 1 1687 . 1 . 1 146 146 ASN N N 15 115.017 0.071 . 1 . . . . . 146 N N . 28061 1 1688 . 1 . 1 146 146 ASN ND2 N 15 111.838 0.028 . 1 . . . . . 146 N ND2 . 28061 1 1689 . 1 . 1 147 147 LEU H H 1 8.433 0.004 . 1 . . . . . 147 L H . 28061 1 1690 . 1 . 1 147 147 LEU HA H 1 4.407 0.016 . 1 . . . . . 147 L HA . 28061 1 1691 . 1 . 1 147 147 LEU HB2 H 1 1.986 0.000 . 2 . . . . . 147 L HB2 . 28061 1 1692 . 1 . 1 147 147 LEU HB3 H 1 1.869 0.000 . 2 . . . . . 147 L HB3 . 28061 1 1693 . 1 . 1 147 147 LEU HG H 1 1.613 0.007 . 1 . . . . . 147 L HG . 28061 1 1694 . 1 . 1 147 147 LEU HD11 H 1 0.831 0.005 . 1 . . . . . 147 L HD1 . 28061 1 1695 . 1 . 1 147 147 LEU HD12 H 1 0.831 0.005 . 1 . . . . . 147 L HD1 . 28061 1 1696 . 1 . 1 147 147 LEU HD13 H 1 0.831 0.005 . 1 . . . . . 147 L HD1 . 28061 1 1697 . 1 . 1 147 147 LEU HD21 H 1 0.792 0.003 . 1 . . . . . 147 L HD2 . 28061 1 1698 . 1 . 1 147 147 LEU HD22 H 1 0.792 0.003 . 1 . . . . . 147 L HD2 . 28061 1 1699 . 1 . 1 147 147 LEU HD23 H 1 0.792 0.003 . 1 . . . . . 147 L HD2 . 28061 1 1700 . 1 . 1 147 147 LEU C C 13 176.918 0.000 . 1 . . . . . 147 L C . 28061 1 1701 . 1 . 1 147 147 LEU CA C 13 55.005 0.059 . 1 . . . . . 147 L CA . 28061 1 1702 . 1 . 1 147 147 LEU CB C 13 44.578 0.057 . 1 . . . . . 147 L CB . 28061 1 1703 . 1 . 1 147 147 LEU CD1 C 13 22.497 0.046 . 1 . . . . . 147 L CD1 . 28061 1 1704 . 1 . 1 147 147 LEU CD2 C 13 26.853 0.152 . 1 . . . . . 147 L CD2 . 28061 1 1705 . 1 . 1 147 147 LEU N N 15 114.853 0.071 . 1 . . . . . 147 L N . 28061 1 1706 . 1 . 1 148 148 VAL H H 1 7.077 0.005 . 1 . . . . . 148 V H . 28061 1 1707 . 1 . 1 148 148 VAL HA H 1 4.637 0.165 . 1 . . . . . 148 V HA . 28061 1 1708 . 1 . 1 148 148 VAL HB H 1 1.773 0.005 . 1 . . . . . 148 V HB . 28061 1 1709 . 1 . 1 148 148 VAL HG11 H 1 1.074 0.043 . 1 . . . . . 148 V HG1 . 28061 1 1710 . 1 . 1 148 148 VAL HG12 H 1 1.074 0.043 . 1 . . . . . 148 V HG1 . 28061 1 1711 . 1 . 1 148 148 VAL HG13 H 1 1.074 0.043 . 1 . . . . . 148 V HG1 . 28061 1 1712 . 1 . 1 148 148 VAL HG21 H 1 1.009 0.042 . 1 . . . . . 148 V HG2 . 28061 1 1713 . 1 . 1 148 148 VAL HG22 H 1 1.009 0.042 . 1 . . . . . 148 V HG2 . 28061 1 1714 . 1 . 1 148 148 VAL HG23 H 1 1.009 0.042 . 1 . . . . . 148 V HG2 . 28061 1 1715 . 1 . 1 148 148 VAL C C 13 183.705 0.000 . 1 . . . . . 148 V C . 28061 1 1716 . 1 . 1 148 148 VAL CA C 13 60.520 0.073 . 1 . . . . . 148 V CA . 28061 1 1717 . 1 . 1 148 148 VAL CB C 13 35.805 0.068 . 1 . . . . . 148 V CB . 28061 1 1718 . 1 . 1 148 148 VAL CG1 C 13 22.984 0.383 . 1 . . . . . 148 V CG1 . 28061 1 1719 . 1 . 1 148 148 VAL CG2 C 13 22.386 0.289 . 1 . . . . . 148 V CG2 . 28061 1 1720 . 1 . 1 148 148 VAL N N 15 116.520 0.060 . 1 . . . . . 148 V N . 28061 1 1721 . 1 . 1 149 149 ALA H H 1 7.942 0.003 . 1 . . . . . 149 A H . 28061 1 1722 . 1 . 1 149 149 ALA HA H 1 4.320 0.009 . 1 . . . . . 149 A HA . 28061 1 1723 . 1 . 1 149 149 ALA HB1 H 1 1.386 0.004 . 1 . . . . . 149 A HB . 28061 1 1724 . 1 . 1 149 149 ALA HB2 H 1 1.386 0.004 . 1 . . . . . 149 A HB . 28061 1 1725 . 1 . 1 149 149 ALA HB3 H 1 1.386 0.004 . 1 . . . . . 149 A HB . 28061 1 1726 . 1 . 1 149 149 ALA CA C 13 50.660 0.102 . 1 . . . . . 149 A CA . 28061 1 1727 . 1 . 1 149 149 ALA CB C 13 19.824 0.170 . 1 . . . . . 149 A CB . 28061 1 1728 . 1 . 1 149 149 ALA N N 15 126.118 0.090 . 1 . . . . . 149 A N . 28061 1 1729 . 1 . 1 150 150 PRO HA H 1 4.299 0.013 . 1 . . . . . 150 P HA . 28061 1 1730 . 1 . 1 150 150 PRO HB2 H 1 2.112 0.000 . 2 . . . . . 150 P HB2 . 28061 1 1731 . 1 . 1 150 150 PRO HG2 H 1 1.652 0.000 . 2 . . . . . 150 P HG2 . 28061 1 1732 . 1 . 1 150 150 PRO HD2 H 1 2.863 0.003 . 2 . . . . . 150 P HD2 . 28061 1 1733 . 1 . 1 150 150 PRO HD3 H 1 3.381 0.013 . 2 . . . . . 150 P HD3 . 28061 1 1734 . 1 . 1 150 150 PRO C C 13 176.133 0.000 . 1 . . . . . 150 P C . 28061 1 1735 . 1 . 1 150 150 PRO CA C 13 67.233 0.000 . 1 . . . . . 150 P CA . 28061 1 1736 . 1 . 1 150 150 PRO CB C 13 31.633 0.000 . 1 . . . . . 150 P CB . 28061 1 1737 . 1 . 1 150 150 PRO CD C 13 49.538 0.078 . 1 . . . . . 150 P CD . 28061 1 1738 . 1 . 1 151 151 ASP H H 1 7.827 0.002 . 1 . . . . . 151 D H . 28061 1 1739 . 1 . 1 151 151 ASP HA H 1 4.745 0.000 . 1 . . . . . 151 D HA . 28061 1 1740 . 1 . 1 151 151 ASP HB2 H 1 2.862 0.000 . 2 . . . . . 151 D HB2 . 28061 1 1741 . 1 . 1 151 151 ASP HB3 H 1 2.916 0.000 . 2 . . . . . 151 D HB3 . 28061 1 1742 . 1 . 1 151 151 ASP C C 13 175.656 0.000 . 1 . . . . . 151 D C . 28061 1 1743 . 1 . 1 151 151 ASP CA C 13 52.098 0.077 . 1 . . . . . 151 D CA . 28061 1 1744 . 1 . 1 151 151 ASP CB C 13 40.458 0.246 . 1 . . . . . 151 D CB . 28061 1 1745 . 1 . 1 151 151 ASP N N 15 110.412 0.074 . 1 . . . . . 151 D N . 28061 1 1746 . 1 . 1 152 152 GLN H H 1 7.971 0.005 . 1 . . . . . 152 Q H . 28061 1 1747 . 1 . 1 152 152 GLN HA H 1 4.764 0.007 . 1 . . . . . 152 Q HA . 28061 1 1748 . 1 . 1 152 152 GLN HB2 H 1 1.625 0.204 . 2 . . . . . 152 Q HB2 . 28061 1 1749 . 1 . 1 152 152 GLN HB3 H 1 1.993 0.131 . 2 . . . . . 152 Q HB3 . 28061 1 1750 . 1 . 1 152 152 GLN HG2 H 1 2.235 0.000 . 2 . . . . . 152 Q HG2 . 28061 1 1751 . 1 . 1 152 152 GLN HG3 H 1 2.235 0.000 . 2 . . . . . 152 Q HG3 . 28061 1 1752 . 1 . 1 152 152 GLN HE21 H 1 6.565 0.003 . 2 . . . . . 152 Q HE21 . 28061 1 1753 . 1 . 1 152 152 GLN HE22 H 1 7.304 0.002 . 2 . . . . . 152 Q HE22 . 28061 1 1754 . 1 . 1 152 152 GLN CG C 13 33.615 0.057 . 1 . . . . . 152 Q CG . 28061 1 1755 . 1 . 1 152 152 GLN N N 15 122.446 0.054 . 1 . . . . . 152 Q N . 28061 1 1756 . 1 . 1 153 153 LEU H H 1 9.300 0.011 . 1 . . . . . 153 L H . 28061 1 1757 . 1 . 1 153 153 LEU HA H 1 4.553 0.000 . 1 . . . . . 153 L HA . 28061 1 1758 . 1 . 1 153 153 LEU HB2 H 1 1.714 0.000 . 2 . . . . . 153 L HB2 . 28061 1 1759 . 1 . 1 153 153 LEU HD11 H 1 0.912 0.080 . 1 . . . . . 153 L HD1 . 28061 1 1760 . 1 . 1 153 153 LEU HD12 H 1 0.912 0.080 . 1 . . . . . 153 L HD1 . 28061 1 1761 . 1 . 1 153 153 LEU HD13 H 1 0.912 0.080 . 1 . . . . . 153 L HD1 . 28061 1 1762 . 1 . 1 153 153 LEU HD21 H 1 0.849 0.089 . 1 . . . . . 153 L HD2 . 28061 1 1763 . 1 . 1 153 153 LEU HD22 H 1 0.849 0.089 . 1 . . . . . 153 L HD2 . 28061 1 1764 . 1 . 1 153 153 LEU HD23 H 1 0.849 0.089 . 1 . . . . . 153 L HD2 . 28061 1 1765 . 1 . 1 153 153 LEU C C 13 177.286 0.000 . 1 . . . . . 153 L C . 28061 1 1766 . 1 . 1 153 153 LEU CA C 13 54.583 0.075 . 1 . . . . . 153 L CA . 28061 1 1767 . 1 . 1 153 153 LEU CD1 C 13 27.399 0.237 . 1 . . . . . 153 L CD1 . 28061 1 1768 . 1 . 1 153 153 LEU CD2 C 13 23.220 0.009 . 1 . . . . . 153 L CD2 . 28061 1 1769 . 1 . 1 153 153 LEU N N 15 124.931 0.051 . 1 . . . . . 153 L N . 28061 1 1770 . 1 . 1 154 154 ASP H H 1 8.321 0.003 . 1 . . . . . 154 D H . 28061 1 1771 . 1 . 1 154 154 ASP HA H 1 4.244 0.013 . 1 . . . . . 154 D HA . 28061 1 1772 . 1 . 1 154 154 ASP HB2 H 1 2.932 0.084 . 2 . . . . . 154 D HB2 . 28061 1 1773 . 1 . 1 154 154 ASP HB3 H 1 2.617 0.000 . 2 . . . . . 154 D HB3 . 28061 1 1774 . 1 . 1 154 154 ASP C C 13 178.374 0.000 . 1 . . . . . 154 D C . 28061 1 1775 . 1 . 1 154 154 ASP CA C 13 58.240 0.136 . 1 . . . . . 154 D CA . 28061 1 1776 . 1 . 1 154 154 ASP CB C 13 40.423 0.148 . 1 . . . . . 154 D CB . 28061 1 1777 . 1 . 1 154 154 ASP N N 15 120.642 0.079 . 1 . . . . . 154 D N . 28061 1 1778 . 1 . 1 155 155 LEU H H 1 8.623 0.006 . 1 . . . . . 155 L H . 28061 1 1779 . 1 . 1 155 155 LEU HA H 1 4.190 0.008 . 1 . . . . . 155 L HA . 28061 1 1780 . 1 . 1 155 155 LEU HB2 H 1 1.578 0.033 . 2 . . . . . 155 L HB2 . 28061 1 1781 . 1 . 1 155 155 LEU HB3 H 1 1.643 0.000 . 2 . . . . . 155 L HB3 . 28061 1 1782 . 1 . 1 155 155 LEU HG H 1 1.262 0.007 . 1 . . . . . 155 L HG . 28061 1 1783 . 1 . 1 155 155 LEU HD11 H 1 0.521 0.014 . 1 . . . . . 155 L HD1 . 28061 1 1784 . 1 . 1 155 155 LEU HD12 H 1 0.521 0.014 . 1 . . . . . 155 L HD1 . 28061 1 1785 . 1 . 1 155 155 LEU HD13 H 1 0.521 0.014 . 1 . . . . . 155 L HD1 . 28061 1 1786 . 1 . 1 155 155 LEU HD21 H 1 0.579 0.015 . 1 . . . . . 155 L HD2 . 28061 1 1787 . 1 . 1 155 155 LEU HD22 H 1 0.579 0.015 . 1 . . . . . 155 L HD2 . 28061 1 1788 . 1 . 1 155 155 LEU HD23 H 1 0.579 0.015 . 1 . . . . . 155 L HD2 . 28061 1 1789 . 1 . 1 155 155 LEU C C 13 179.252 0.000 . 1 . . . . . 155 L C . 28061 1 1790 . 1 . 1 155 155 LEU CA C 13 58.069 0.136 . 1 . . . . . 155 L CA . 28061 1 1791 . 1 . 1 155 155 LEU CB C 13 41.354 0.148 . 1 . . . . . 155 L CB . 28061 1 1792 . 1 . 1 155 155 LEU CG C 13 27.394 0.137 . 1 . . . . . 155 L CG . 28061 1 1793 . 1 . 1 155 155 LEU CD1 C 13 22.769 0.080 . 1 . . . . . 155 L CD1 . 28061 1 1794 . 1 . 1 155 155 LEU CD2 C 13 25.971 0.093 . 1 . . . . . 155 L CD2 . 28061 1 1795 . 1 . 1 155 155 LEU N N 15 121.627 0.078 . 1 . . . . . 155 L N . 28061 1 1796 . 1 . 1 156 156 LEU H H 1 7.547 0.009 . 1 . . . . . 156 L H . 28061 1 1797 . 1 . 1 156 156 LEU HA H 1 3.885 0.009 . 1 . . . . . 156 L HA . 28061 1 1798 . 1 . 1 156 156 LEU HB2 H 1 1.468 0.154 . 2 . . . . . 156 L HB2 . 28061 1 1799 . 1 . 1 156 156 LEU HB3 H 1 1.772 0.005 . 2 . . . . . 156 L HB3 . 28061 1 1800 . 1 . 1 156 156 LEU HG H 1 1.431 0.107 . 1 . . . . . 156 L HG . 28061 1 1801 . 1 . 1 156 156 LEU HD11 H 1 0.765 0.059 . 1 . . . . . 156 L HD1 . 28061 1 1802 . 1 . 1 156 156 LEU HD12 H 1 0.765 0.059 . 1 . . . . . 156 L HD1 . 28061 1 1803 . 1 . 1 156 156 LEU HD13 H 1 0.765 0.059 . 1 . . . . . 156 L HD1 . 28061 1 1804 . 1 . 1 156 156 LEU HD21 H 1 0.930 0.007 . 1 . . . . . 156 L HD2 . 28061 1 1805 . 1 . 1 156 156 LEU HD22 H 1 0.930 0.007 . 1 . . . . . 156 L HD2 . 28061 1 1806 . 1 . 1 156 156 LEU HD23 H 1 0.930 0.007 . 1 . . . . . 156 L HD2 . 28061 1 1807 . 1 . 1 156 156 LEU C C 13 177.875 0.000 . 1 . . . . . 156 L C . 28061 1 1808 . 1 . 1 156 156 LEU CA C 13 57.991 0.110 . 1 . . . . . 156 L CA . 28061 1 1809 . 1 . 1 156 156 LEU CB C 13 41.664 0.133 . 1 . . . . . 156 L CB . 28061 1 1810 . 1 . 1 156 156 LEU CG C 13 26.875 0.117 . 1 . . . . . 156 L CG . 28061 1 1811 . 1 . 1 156 156 LEU CD1 C 13 25.799 0.191 . 1 . . . . . 156 L CD1 . 28061 1 1812 . 1 . 1 156 156 LEU CD2 C 13 23.581 0.066 . 1 . . . . . 156 L CD2 . 28061 1 1813 . 1 . 1 156 156 LEU N N 15 119.135 0.079 . 1 . . . . . 156 L N . 28061 1 1814 . 1 . 1 157 157 GLU H H 1 8.437 0.004 . 1 . . . . . 157 E H . 28061 1 1815 . 1 . 1 157 157 GLU HA H 1 3.565 0.017 . 1 . . . . . 157 E HA . 28061 1 1816 . 1 . 1 157 157 GLU HB2 H 1 2.213 0.008 . 2 . . . . . 157 E HB2 . 28061 1 1817 . 1 . 1 157 157 GLU HB3 H 1 2.125 0.033 . 2 . . . . . 157 E HB3 . 28061 1 1818 . 1 . 1 157 157 GLU HG2 H 1 2.057 0.088 . 2 . . . . . 157 E HG2 . 28061 1 1819 . 1 . 1 157 157 GLU HG3 H 1 2.315 0.000 . 2 . . . . . 157 E HG3 . 28061 1 1820 . 1 . 1 157 157 GLU C C 13 177.654 0.000 . 1 . . . . . 157 E C . 28061 1 1821 . 1 . 1 157 157 GLU CA C 13 61.483 0.073 . 1 . . . . . 157 E CA . 28061 1 1822 . 1 . 1 157 157 GLU CB C 13 30.974 0.024 . 1 . . . . . 157 E CB . 28061 1 1823 . 1 . 1 157 157 GLU CG C 13 37.637 0.108 . 1 . . . . . 157 E CG . 28061 1 1824 . 1 . 1 157 157 GLU N N 15 118.227 0.061 . 1 . . . . . 157 E N . 28061 1 1825 . 1 . 1 158 158 LYS H H 1 7.948 0.008 . 1 . . . . . 158 K H . 28061 1 1826 . 1 . 1 158 158 LYS HA H 1 4.022 0.014 . 1 . . . . . 158 K HA . 28061 1 1827 . 1 . 1 158 158 LYS HB3 H 1 1.981 0.005 . 2 . . . . . 158 K HB3 . 28061 1 1828 . 1 . 1 158 158 LYS HG2 H 1 1.541 0.000 . 2 . . . . . 158 K HG2 . 28061 1 1829 . 1 . 1 158 158 LYS HG3 H 1 1.261 0.000 . 2 . . . . . 158 K HG3 . 28061 1 1830 . 1 . 1 158 158 LYS HD2 H 1 1.546 0.000 . 2 . . . . . 158 K HD2 . 28061 1 1831 . 1 . 1 158 158 LYS HE2 H 1 2.945 0.000 . 2 . . . . . 158 K HE2 . 28061 1 1832 . 1 . 1 158 158 LYS C C 13 179.289 0.000 . 1 . . . . . 158 K C . 28061 1 1833 . 1 . 1 158 158 LYS CA C 13 59.393 0.056 . 1 . . . . . 158 K CA . 28061 1 1834 . 1 . 1 158 158 LYS CB C 13 32.512 0.217 . 1 . . . . . 158 K CB . 28061 1 1835 . 1 . 1 158 158 LYS CG C 13 24.749 0.052 . 1 . . . . . 158 K CG . 28061 1 1836 . 1 . 1 158 158 LYS N N 15 118.168 0.096 . 1 . . . . . 158 K N . 28061 1 1837 . 1 . 1 159 159 CYS H H 1 8.120 0.004 . 1 . . . . . 159 C H . 28061 1 1838 . 1 . 1 159 159 CYS HA H 1 4.100 0.010 . 1 . . . . . 159 C HA . 28061 1 1839 . 1 . 1 159 159 CYS HB2 H 1 2.624 0.112 . 2 . . . . . 159 C HB2 . 28061 1 1840 . 1 . 1 159 159 CYS HB3 H 1 2.972 0.001 . 2 . . . . . 159 C HB3 . 28061 1 1841 . 1 . 1 159 159 CYS C C 13 176.287 0.000 . 1 . . . . . 159 C C . 28061 1 1842 . 1 . 1 159 159 CYS CA C 13 64.542 0.104 . 1 . . . . . 159 C CA . 28061 1 1843 . 1 . 1 159 159 CYS CB C 13 27.474 0.217 . 1 . . . . . 159 C CB . 28061 1 1844 . 1 . 1 159 159 CYS N N 15 116.523 0.062 . 1 . . . . . 159 C N . 28061 1 1845 . 1 . 1 160 160 LEU H H 1 8.294 0.006 . 1 . . . . . 160 L H . 28061 1 1846 . 1 . 1 160 160 LEU HA H 1 3.999 0.007 . 1 . . . . . 160 L HA . 28061 1 1847 . 1 . 1 160 160 LEU HB2 H 1 1.815 0.004 . 2 . . . . . 160 L HB2 . 28061 1 1848 . 1 . 1 160 160 LEU HB3 H 1 1.329 0.012 . 2 . . . . . 160 L HB3 . 28061 1 1849 . 1 . 1 160 160 LEU HG H 1 1.790 0.002 . 1 . . . . . 160 L HG . 28061 1 1850 . 1 . 1 160 160 LEU HD11 H 1 0.713 0.004 . 1 . . . . . 160 L HD1 . 28061 1 1851 . 1 . 1 160 160 LEU HD12 H 1 0.713 0.004 . 1 . . . . . 160 L HD1 . 28061 1 1852 . 1 . 1 160 160 LEU HD13 H 1 0.713 0.004 . 1 . . . . . 160 L HD1 . 28061 1 1853 . 1 . 1 160 160 LEU HD21 H 1 0.665 0.003 . 1 . . . . . 160 L HD2 . 28061 1 1854 . 1 . 1 160 160 LEU HD22 H 1 0.665 0.003 . 1 . . . . . 160 L HD2 . 28061 1 1855 . 1 . 1 160 160 LEU HD23 H 1 0.665 0.003 . 1 . . . . . 160 L HD2 . 28061 1 1856 . 1 . 1 160 160 LEU C C 13 178.876 0.000 . 1 . . . . . 160 L C . 28061 1 1857 . 1 . 1 160 160 LEU CA C 13 57.649 0.068 . 1 . . . . . 160 L CA . 28061 1 1858 . 1 . 1 160 160 LEU CB C 13 40.700 0.126 . 1 . . . . . 160 L CB . 28061 1 1859 . 1 . 1 160 160 LEU CG C 13 26.745 0.150 . 1 . . . . . 160 L CG . 28061 1 1860 . 1 . 1 160 160 LEU CD1 C 13 23.126 0.101 . 1 . . . . . 160 L CD1 . 28061 1 1861 . 1 . 1 160 160 LEU CD2 C 13 26.680 0.158 . 1 . . . . . 160 L CD2 . 28061 1 1862 . 1 . 1 160 160 LEU N N 15 118.325 0.075 . 1 . . . . . 160 L N . 28061 1 1863 . 1 . 1 161 161 LYS H H 1 7.892 0.005 . 1 . . . . . 161 K H . 28061 1 1864 . 1 . 1 161 161 LYS HA H 1 3.910 0.000 . 1 . . . . . 161 K HA . 28061 1 1865 . 1 . 1 161 161 LYS HB2 H 1 2.151 0.008 . 2 . . . . . 161 K HB2 . 28061 1 1866 . 1 . 1 161 161 LYS HB3 H 1 1.901 0.000 . 2 . . . . . 161 K HB3 . 28061 1 1867 . 1 . 1 161 161 LYS HE3 H 1 2.959 0.000 . 2 . . . . . 161 K HE3 . 28061 1 1868 . 1 . 1 161 161 LYS C C 13 180.049 0.000 . 1 . . . . . 161 K C . 28061 1 1869 . 1 . 1 161 161 LYS CA C 13 60.121 0.068 . 1 . . . . . 161 K CA . 28061 1 1870 . 1 . 1 161 161 LYS CB C 13 32.111 0.107 . 1 . . . . . 161 K CB . 28061 1 1871 . 1 . 1 161 161 LYS N N 15 119.407 0.072 . 1 . . . . . 161 K N . 28061 1 1872 . 1 . 1 162 162 ASN H H 1 8.079 0.003 . 1 . . . . . 162 N H . 28061 1 1873 . 1 . 1 162 162 ASN HA H 1 4.504 0.037 . 1 . . . . . 162 N HA . 28061 1 1874 . 1 . 1 162 162 ASN HB2 H 1 2.847 0.008 . 2 . . . . . 162 N HB2 . 28061 1 1875 . 1 . 1 162 162 ASN HB3 H 1 2.883 0.003 . 2 . . . . . 162 N HB3 . 28061 1 1876 . 1 . 1 162 162 ASN HD21 H 1 6.695 0.009 . 2 . . . . . 162 N HD21 . 28061 1 1877 . 1 . 1 162 162 ASN HD22 H 1 7.332 0.005 . 2 . . . . . 162 N HD22 . 28061 1 1878 . 1 . 1 162 162 ASN C C 13 176.938 0.000 . 1 . . . . . 162 N C . 28061 1 1879 . 1 . 1 162 162 ASN CA C 13 55.420 0.096 . 1 . . . . . 162 N CA . 28061 1 1880 . 1 . 1 162 162 ASN CB C 13 38.783 0.135 . 1 . . . . . 162 N CB . 28061 1 1881 . 1 . 1 162 162 ASN N N 15 118.917 0.133 . 1 . . . . . 162 N N . 28061 1 1882 . 1 . 1 162 162 ASN ND2 N 15 109.918 0.013 . 1 . . . . . 162 N ND2 . 28061 1 1883 . 1 . 1 163 163 ILE H H 1 7.305 0.007 . 1 . . . . . 163 I H . 28061 1 1884 . 1 . 1 163 163 ILE HA H 1 4.485 0.032 . 1 . . . . . 163 I HA . 28061 1 1885 . 1 . 1 163 163 ILE HB H 1 2.291 0.012 . 1 . . . . . 163 I HB . 28061 1 1886 . 1 . 1 163 163 ILE HG12 H 1 1.341 0.004 . 2 . . . . . 163 I HG12 . 28061 1 1887 . 1 . 1 163 163 ILE HG13 H 1 1.435 0.014 . 2 . . . . . 163 I HG13 . 28061 1 1888 . 1 . 1 163 163 ILE HG21 H 1 0.861 0.007 . 1 . . . . . 163 I HG2 . 28061 1 1889 . 1 . 1 163 163 ILE HG22 H 1 0.861 0.007 . 1 . . . . . 163 I HG2 . 28061 1 1890 . 1 . 1 163 163 ILE HG23 H 1 0.861 0.007 . 1 . . . . . 163 I HG2 . 28061 1 1891 . 1 . 1 163 163 ILE HD11 H 1 0.805 0.016 . 1 . . . . . 163 I HD1 . 28061 1 1892 . 1 . 1 163 163 ILE HD12 H 1 0.805 0.016 . 1 . . . . . 163 I HD1 . 28061 1 1893 . 1 . 1 163 163 ILE HD13 H 1 0.805 0.016 . 1 . . . . . 163 I HD1 . 28061 1 1894 . 1 . 1 163 163 ILE C C 13 174.690 0.000 . 1 . . . . . 163 I C . 28061 1 1895 . 1 . 1 163 163 ILE CA C 13 61.596 0.145 . 1 . . . . . 163 I CA . 28061 1 1896 . 1 . 1 163 163 ILE CB C 13 37.426 0.111 . 1 . . . . . 163 I CB . 28061 1 1897 . 1 . 1 163 163 ILE CG1 C 13 27.677 0.128 . 1 . . . . . 163 I CG1 . 28061 1 1898 . 1 . 1 163 163 ILE CG2 C 13 17.863 0.119 . 1 . . . . . 163 I CG2 . 28061 1 1899 . 1 . 1 163 163 ILE CD1 C 13 15.456 0.124 . 1 . . . . . 163 I CD1 . 28061 1 1900 . 1 . 1 163 163 ILE N N 15 111.738 0.071 . 1 . . . . . 163 I N . 28061 1 1901 . 1 . 1 164 164 HIS H H 1 7.762 0.010 . 1 . . . . . 164 H H . 28061 1 1902 . 1 . 1 164 164 HIS HA H 1 4.181 0.013 . 1 . . . . . 164 H HA . 28061 1 1903 . 1 . 1 164 164 HIS HB2 H 1 3.584 0.019 . 2 . . . . . 164 H HB2 . 28061 1 1904 . 1 . 1 164 164 HIS HB3 H 1 3.457 0.008 . 2 . . . . . 164 H HB3 . 28061 1 1905 . 1 . 1 164 164 HIS C C 13 175.040 0.000 . 1 . . . . . 164 H C . 28061 1 1906 . 1 . 1 164 164 HIS CA C 13 57.388 0.123 . 1 . . . . . 164 H CA . 28061 1 1907 . 1 . 1 164 164 HIS CB C 13 26.339 0.156 . 1 . . . . . 164 H CB . 28061 1 1908 . 1 . 1 164 164 HIS N N 15 114.351 0.071 . 1 . . . . . 164 H N . 28061 1 1909 . 1 . 1 165 165 ARG H H 1 8.181 0.007 . 1 . . . . . 165 R H . 28061 1 1910 . 1 . 1 165 165 ARG HB2 H 1 1.778 0.000 . 2 . . . . . 165 R HB2 . 28061 1 1911 . 1 . 1 165 165 ARG HB3 H 1 1.995 0.037 . 2 . . . . . 165 R HB3 . 28061 1 1912 . 1 . 1 165 165 ARG C C 13 177.005 0.000 . 1 . . . . . 165 R C . 28061 1 1913 . 1 . 1 165 165 ARG CA C 13 50.569 0.067 . 1 . . . . . 165 R CA . 28061 1 1914 . 1 . 1 165 165 ARG CB C 13 26.393 0.156 . 1 . . . . . 165 R CB . 28061 1 1915 . 1 . 1 165 165 ARG N N 15 119.413 0.083 . 1 . . . . . 165 R N . 28061 1 1916 . 1 . 1 166 166 ILE H H 1 8.080 0.005 . 1 . . . . . 166 I H . 28061 1 1917 . 1 . 1 166 166 ILE HA H 1 3.654 0.010 . 1 . . . . . 166 I HA . 28061 1 1918 . 1 . 1 166 166 ILE HB H 1 2.033 0.013 . 1 . . . . . 166 I HB . 28061 1 1919 . 1 . 1 166 166 ILE HG12 H 1 1.556 0.011 . 2 . . . . . 166 I HG12 . 28061 1 1920 . 1 . 1 166 166 ILE HG13 H 1 1.380 0.005 . 2 . . . . . 166 I HG13 . 28061 1 1921 . 1 . 1 166 166 ILE HG21 H 1 0.975 0.002 . 1 . . . . . 166 I HG2 . 28061 1 1922 . 1 . 1 166 166 ILE HG22 H 1 0.975 0.002 . 1 . . . . . 166 I HG2 . 28061 1 1923 . 1 . 1 166 166 ILE HG23 H 1 0.975 0.002 . 1 . . . . . 166 I HG2 . 28061 1 1924 . 1 . 1 166 166 ILE HD11 H 1 0.922 0.007 . 1 . . . . . 166 I HD1 . 28061 1 1925 . 1 . 1 166 166 ILE HD12 H 1 0.922 0.007 . 1 . . . . . 166 I HD1 . 28061 1 1926 . 1 . 1 166 166 ILE HD13 H 1 0.922 0.007 . 1 . . . . . 166 I HD1 . 28061 1 1927 . 1 . 1 166 166 ILE C C 13 177.482 0.000 . 1 . . . . . 166 I C . 28061 1 1928 . 1 . 1 166 166 ILE CA C 13 63.280 0.107 . 1 . . . . . 166 I CA . 28061 1 1929 . 1 . 1 166 166 ILE CB C 13 36.851 0.111 . 1 . . . . . 166 I CB . 28061 1 1930 . 1 . 1 166 166 ILE CG1 C 13 29.182 0.077 . 1 . . . . . 166 I CG1 . 28061 1 1931 . 1 . 1 166 166 ILE CG2 C 13 18.105 0.077 . 1 . . . . . 166 I CG2 . 28061 1 1932 . 1 . 1 166 166 ILE CD1 C 13 12.271 0.095 . 1 . . . . . 166 I CD1 . 28061 1 1933 . 1 . 1 166 166 ILE N N 15 122.636 0.011 . 1 . . . . . 166 I N . 28061 1 1934 . 1 . 1 167 167 ASP H H 1 9.232 0.003 . 1 . . . . . 167 D H . 28061 1 1935 . 1 . 1 167 167 ASP HA H 1 4.250 0.010 . 1 . . . . . 167 D HA . 28061 1 1936 . 1 . 1 167 167 ASP HB2 H 1 2.528 0.024 . 2 . . . . . 167 D HB2 . 28061 1 1937 . 1 . 1 167 167 ASP HB3 H 1 2.893 0.007 . 2 . . . . . 167 D HB3 . 28061 1 1938 . 1 . 1 167 167 ASP C C 13 178.618 0.000 . 1 . . . . . 167 D C . 28061 1 1939 . 1 . 1 167 167 ASP CA C 13 56.513 0.176 . 1 . . . . . 167 D CA . 28061 1 1940 . 1 . 1 167 167 ASP CB C 13 38.072 0.078 . 1 . . . . . 167 D CB . 28061 1 1941 . 1 . 1 167 167 ASP N N 15 121.015 0.081 . 1 . . . . . 167 D N . 28061 1 1942 . 1 . 1 168 168 LEU H H 1 7.458 0.004 . 1 . . . . . 168 L H . 28061 1 1943 . 1 . 1 168 168 LEU HA H 1 4.214 0.051 . 1 . . . . . 168 L HA . 28061 1 1944 . 1 . 1 168 168 LEU HB2 H 1 1.968 0.002 . 2 . . . . . 168 L HB2 . 28061 1 1945 . 1 . 1 168 168 LEU HD11 H 1 0.766 0.006 . 1 . . . . . 168 L HD1 . 28061 1 1946 . 1 . 1 168 168 LEU HD12 H 1 0.766 0.006 . 1 . . . . . 168 L HD1 . 28061 1 1947 . 1 . 1 168 168 LEU HD13 H 1 0.766 0.006 . 1 . . . . . 168 L HD1 . 28061 1 1948 . 1 . 1 168 168 LEU HD21 H 1 0.758 0.008 . 1 . . . . . 168 L HD2 . 28061 1 1949 . 1 . 1 168 168 LEU HD22 H 1 0.758 0.008 . 1 . . . . . 168 L HD2 . 28061 1 1950 . 1 . 1 168 168 LEU HD23 H 1 0.758 0.008 . 1 . . . . . 168 L HD2 . 28061 1 1951 . 1 . 1 168 168 LEU C C 13 178.492 0.000 . 1 . . . . . 168 L C . 28061 1 1952 . 1 . 1 168 168 LEU CA C 13 56.588 0.028 . 1 . . . . . 168 L CA . 28061 1 1953 . 1 . 1 168 168 LEU CB C 13 41.354 0.012 . 1 . . . . . 168 L CB . 28061 1 1954 . 1 . 1 168 168 LEU CD1 C 13 25.668 0.004 . 1 . . . . . 168 L CD1 . 28061 1 1955 . 1 . 1 168 168 LEU CD2 C 13 26.331 0.074 . 1 . . . . . 168 L CD2 . 28061 1 1956 . 1 . 1 168 168 LEU N N 15 121.074 0.047 . 1 . . . . . 168 L N . 28061 1 1957 . 1 . 1 169 169 LYS H H 1 7.843 0.009 . 1 . . . . . 169 K H . 28061 1 1958 . 1 . 1 169 169 LYS HA H 1 3.852 0.007 . 1 . . . . . 169 K HA . 28061 1 1959 . 1 . 1 169 169 LYS HB2 H 1 2.090 0.004 . 2 . . . . . 169 K HB2 . 28061 1 1960 . 1 . 1 169 169 LYS HB3 H 1 1.798 0.002 . 2 . . . . . 169 K HB3 . 28061 1 1961 . 1 . 1 169 169 LYS HG2 H 1 1.312 0.010 . 2 . . . . . 169 K HG2 . 28061 1 1962 . 1 . 1 169 169 LYS HD3 H 1 1.338 0.006 . 2 . . . . . 169 K HD3 . 28061 1 1963 . 1 . 1 169 169 LYS HE2 H 1 3.210 0.000 . 2 . . . . . 169 K HE2 . 28061 1 1964 . 1 . 1 169 169 LYS HE3 H 1 2.908 0.000 . 2 . . . . . 169 K HE3 . 28061 1 1965 . 1 . 1 169 169 LYS C C 13 178.600 0.000 . 1 . . . . . 169 K C . 28061 1 1966 . 1 . 1 169 169 LYS CA C 13 60.517 0.057 . 1 . . . . . 169 K CA . 28061 1 1967 . 1 . 1 169 169 LYS CB C 13 32.008 0.012 . 1 . . . . . 169 K CB . 28061 1 1968 . 1 . 1 169 169 LYS CD C 13 27.145 0.074 . 1 . . . . . 169 K CD . 28061 1 1969 . 1 . 1 169 169 LYS N N 15 121.709 0.075 . 1 . . . . . 169 K N . 28061 1 1970 . 1 . 1 170 170 THR H H 1 8.546 0.008 . 1 . . . . . 170 T H . 28061 1 1971 . 1 . 1 170 170 THR HA H 1 3.967 0.007 . 1 . . . . . 170 T HA . 28061 1 1972 . 1 . 1 170 170 THR HB H 1 4.295 0.011 . 1 . . . . . 170 T HB . 28061 1 1973 . 1 . 1 170 170 THR HG21 H 1 1.261 0.005 . 1 . . . . . 170 T HG2 . 28061 1 1974 . 1 . 1 170 170 THR HG22 H 1 1.261 0.005 . 1 . . . . . 170 T HG2 . 28061 1 1975 . 1 . 1 170 170 THR HG23 H 1 1.261 0.005 . 1 . . . . . 170 T HG2 . 28061 1 1976 . 1 . 1 170 170 THR C C 13 175.593 0.000 . 1 . . . . . 170 T C . 28061 1 1977 . 1 . 1 170 170 THR CA C 13 66.716 0.108 . 1 . . . . . 170 T CA . 28061 1 1978 . 1 . 1 170 170 THR CB C 13 68.597 0.113 . 1 . . . . . 170 T CB . 28061 1 1979 . 1 . 1 170 170 THR CG2 C 13 21.674 0.074 . 1 . . . . . 170 T CG2 . 28061 1 1980 . 1 . 1 170 170 THR N N 15 115.926 0.085 . 1 . . . . . 170 T N . 28061 1 1981 . 1 . 1 171 171 LYS H H 1 7.319 0.007 . 1 . . . . . 171 K H . 28061 1 1982 . 1 . 1 171 171 LYS HA H 1 4.019 0.022 . 1 . . . . . 171 K HA . 28061 1 1983 . 1 . 1 171 171 LYS HB2 H 1 1.793 0.009 . 2 . . . . . 171 K HB2 . 28061 1 1984 . 1 . 1 171 171 LYS HB3 H 1 1.786 0.000 . 2 . . . . . 171 K HB3 . 28061 1 1985 . 1 . 1 171 171 LYS HG3 H 1 1.243 0.000 . 2 . . . . . 171 K HG3 . 28061 1 1986 . 1 . 1 171 171 LYS HE2 H 1 2.849 0.001 . 2 . . . . . 171 K HE2 . 28061 1 1987 . 1 . 1 171 171 LYS HE3 H 1 2.947 0.000 . 2 . . . . . 171 K HE3 . 28061 1 1988 . 1 . 1 171 171 LYS C C 13 179.729 0.000 . 1 . . . . . 171 K C . 28061 1 1989 . 1 . 1 171 171 LYS CA C 13 60.621 0.193 . 1 . . . . . 171 K CA . 28061 1 1990 . 1 . 1 171 171 LYS CB C 13 32.565 0.184 . 1 . . . . . 171 K CB . 28061 1 1991 . 1 . 1 171 171 LYS CD C 13 25.992 0.019 . 1 . . . . . 171 K CD . 28061 1 1992 . 1 . 1 171 171 LYS CE C 13 41.880 0.000 . 1 . . . . . 171 K CE . 28061 1 1993 . 1 . 1 171 171 LYS N N 15 121.025 0.085 . 1 . . . . . 171 K N . 28061 1 1994 . 1 . 1 172 172 ILE H H 1 7.497 0.006 . 1 . . . . . 172 I H . 28061 1 1995 . 1 . 1 172 172 ILE HA H 1 3.702 0.008 . 1 . . . . . 172 I HA . 28061 1 1996 . 1 . 1 172 172 ILE HB H 1 2.154 0.008 . 1 . . . . . 172 I HB . 28061 1 1997 . 1 . 1 172 172 ILE HG12 H 1 2.139 0.001 . 2 . . . . . 172 I HG12 . 28061 1 1998 . 1 . 1 172 172 ILE HG13 H 1 1.783 0.009 . 2 . . . . . 172 I HG13 . 28061 1 1999 . 1 . 1 172 172 ILE HG21 H 1 0.986 0.012 . 1 . . . . . 172 I HG2 . 28061 1 2000 . 1 . 1 172 172 ILE HG22 H 1 0.986 0.012 . 1 . . . . . 172 I HG2 . 28061 1 2001 . 1 . 1 172 172 ILE HG23 H 1 0.986 0.012 . 1 . . . . . 172 I HG2 . 28061 1 2002 . 1 . 1 172 172 ILE HD11 H 1 0.751 0.004 . 1 . . . . . 172 I HD1 . 28061 1 2003 . 1 . 1 172 172 ILE HD12 H 1 0.751 0.004 . 1 . . . . . 172 I HD1 . 28061 1 2004 . 1 . 1 172 172 ILE HD13 H 1 0.751 0.004 . 1 . . . . . 172 I HD1 . 28061 1 2005 . 1 . 1 172 172 ILE C C 13 174.974 0.000 . 1 . . . . . 172 I C . 28061 1 2006 . 1 . 1 172 172 ILE CA C 13 65.666 0.075 . 1 . . . . . 172 I CA . 28061 1 2007 . 1 . 1 172 172 ILE CB C 13 37.410 0.089 . 1 . . . . . 172 I CB . 28061 1 2008 . 1 . 1 172 172 ILE CG1 C 13 29.474 0.033 . 1 . . . . . 172 I CG1 . 28061 1 2009 . 1 . 1 172 172 ILE CG2 C 13 18.802 0.066 . 1 . . . . . 172 I CG2 . 28061 1 2010 . 1 . 1 172 172 ILE CD1 C 13 14.094 0.009 . 1 . . . . . 172 I CD1 . 28061 1 2011 . 1 . 1 172 172 ILE N N 15 119.801 0.093 . 1 . . . . . 172 I N . 28061 1 2012 . 1 . 1 173 173 GLN H H 1 8.304 0.005 . 1 . . . . . 173 Q H . 28061 1 2013 . 1 . 1 173 173 GLN HA H 1 3.884 0.029 . 1 . . . . . 173 Q HA . 28061 1 2014 . 1 . 1 173 173 GLN HB2 H 1 2.322 0.006 . 2 . . . . . 173 Q HB2 . 28061 1 2015 . 1 . 1 173 173 GLN HB3 H 1 2.174 0.009 . 2 . . . . . 173 Q HB3 . 28061 1 2016 . 1 . 1 173 173 GLN HG2 H 1 2.483 0.066 . 2 . . . . . 173 Q HG2 . 28061 1 2017 . 1 . 1 173 173 GLN HG3 H 1 2.332 0.011 . 2 . . . . . 173 Q HG3 . 28061 1 2018 . 1 . 1 173 173 GLN HE22 H 1 7.965 0.019 . 2 . . . . . 173 Q HE22 . 28061 1 2019 . 1 . 1 173 173 GLN CA C 13 59.944 0.097 . 1 . . . . . 173 Q CA . 28061 1 2020 . 1 . 1 173 173 GLN CB C 13 28.566 0.107 . 1 . . . . . 173 Q CB . 28061 1 2021 . 1 . 1 173 173 GLN CG C 13 34.293 0.115 . 1 . . . . . 173 Q CG . 28061 1 2022 . 1 . 1 173 173 GLN N N 15 120.266 0.089 . 1 . . . . . 173 Q N . 28061 1 2023 . 1 . 1 173 173 GLN NE2 N 15 113.751 0.060 . 1 . . . . . 173 Q NE2 . 28061 1 2024 . 1 . 1 174 174 LYS H H 1 8.350 0.004 . 1 . . . . . 174 K H . 28061 1 2025 . 1 . 1 174 174 LYS HA H 1 4.026 0.009 . 1 . . . . . 174 K HA . 28061 1 2026 . 1 . 1 174 174 LYS HB2 H 1 2.111 0.096 . 2 . . . . . 174 K HB2 . 28061 1 2027 . 1 . 1 174 174 LYS HB3 H 1 1.907 0.007 . 2 . . . . . 174 K HB3 . 28061 1 2028 . 1 . 1 174 174 LYS HG2 H 1 1.588 0.000 . 2 . . . . . 174 K HG2 . 28061 1 2029 . 1 . 1 174 174 LYS HG3 H 1 1.468 0.000 . 2 . . . . . 174 K HG3 . 28061 1 2030 . 1 . 1 174 174 LYS HE2 H 1 3.382 0.000 . 2 . . . . . 174 K HE2 . 28061 1 2031 . 1 . 1 174 174 LYS C C 13 179.176 0.000 . 1 . . . . . 174 K C . 28061 1 2032 . 1 . 1 174 174 LYS CA C 13 59.285 0.081 . 1 . . . . . 174 K CA . 28061 1 2033 . 1 . 1 174 174 LYS CB C 13 32.207 0.177 . 1 . . . . . 174 K CB . 28061 1 2034 . 1 . 1 174 174 LYS CE C 13 42.082 0.000 . 1 . . . . . 174 K CE . 28061 1 2035 . 1 . 1 174 174 LYS N N 15 118.640 0.079 . 1 . . . . . 174 K N . 28061 1 2036 . 1 . 1 175 175 TYR H H 1 7.622 0.006 . 1 . . . . . 175 Y H . 28061 1 2037 . 1 . 1 175 175 TYR HA H 1 4.282 0.022 . 1 . . . . . 175 Y HA . 28061 1 2038 . 1 . 1 175 175 TYR HB2 H 1 3.179 0.100 . 2 . . . . . 175 Y HB2 . 28061 1 2039 . 1 . 1 175 175 TYR HB3 H 1 3.413 0.018 . 2 . . . . . 175 Y HB3 . 28061 1 2040 . 1 . 1 175 175 TYR C C 13 178.578 0.000 . 1 . . . . . 175 Y C . 28061 1 2041 . 1 . 1 175 175 TYR CA C 13 61.396 0.097 . 1 . . . . . 175 Y CA . 28061 1 2042 . 1 . 1 175 175 TYR CB C 13 38.483 0.173 . 1 . . . . . 175 Y CB . 28061 1 2043 . 1 . 1 175 175 TYR N N 15 121.474 0.069 . 1 . . . . . 175 Y N . 28061 1 2044 . 1 . 1 176 176 LYS H H 1 8.435 0.007 . 1 . . . . . 176 K H . 28061 1 2045 . 1 . 1 176 176 LYS HA H 1 3.873 0.006 . 1 . . . . . 176 K HA . 28061 1 2046 . 1 . 1 176 176 LYS HB2 H 1 1.962 0.000 . 2 . . . . . 176 K HB2 . 28061 1 2047 . 1 . 1 176 176 LYS C C 13 177.944 0.000 . 1 . . . . . 176 K C . 28061 1 2048 . 1 . 1 176 176 LYS CA C 13 59.148 0.096 . 1 . . . . . 176 K CA . 28061 1 2049 . 1 . 1 176 176 LYS CB C 13 32.608 0.095 . 1 . . . . . 176 K CB . 28061 1 2050 . 1 . 1 176 176 LYS N N 15 119.610 0.085 . 1 . . . . . 176 K N . 28061 1 2051 . 1 . 1 177 177 GLN H H 1 7.595 0.004 . 1 . . . . . 177 Q H . 28061 1 2052 . 1 . 1 177 177 GLN HA H 1 4.164 0.011 . 1 . . . . . 177 Q HA . 28061 1 2053 . 1 . 1 177 177 GLN HB2 H 1 2.201 0.019 . 2 . . . . . 177 Q HB2 . 28061 1 2054 . 1 . 1 177 177 GLN HB3 H 1 2.103 0.017 . 2 . . . . . 177 Q HB3 . 28061 1 2055 . 1 . 1 177 177 GLN HG2 H 1 2.575 0.011 . 2 . . . . . 177 Q HG2 . 28061 1 2056 . 1 . 1 177 177 GLN HG3 H 1 2.449 0.008 . 2 . . . . . 177 Q HG3 . 28061 1 2057 . 1 . 1 177 177 GLN C C 13 176.557 0.000 . 1 . . . . . 177 Q C . 28061 1 2058 . 1 . 1 177 177 GLN CA C 13 56.730 0.064 . 1 . . . . . 177 Q CA . 28061 1 2059 . 1 . 1 177 177 GLN CB C 13 28.859 0.139 . 1 . . . . . 177 Q CB . 28061 1 2060 . 1 . 1 177 177 GLN CG C 13 34.076 0.066 . 1 . . . . . 177 Q CG . 28061 1 2061 . 1 . 1 177 177 GLN N N 15 116.377 0.090 . 1 . . . . . 177 Q N . 28061 1 2062 . 1 . 1 178 178 LEU H H 1 7.379 0.002 . 1 . . . . . 178 L H . 28061 1 2063 . 1 . 1 178 178 LEU HA H 1 4.185 0.043 . 1 . . . . . 178 L HA . 28061 1 2064 . 1 . 1 178 178 LEU HB2 H 1 1.461 0.000 . 2 . . . . . 178 L HB2 . 28061 1 2065 . 1 . 1 178 178 LEU HB3 H 1 1.287 0.000 . 2 . . . . . 178 L HB3 . 28061 1 2066 . 1 . 1 178 178 LEU HG H 1 1.722 0.013 . 1 . . . . . 178 L HG . 28061 1 2067 . 1 . 1 178 178 LEU HD11 H 1 0.822 0.016 . 1 . . . . . 178 L HD1 . 28061 1 2068 . 1 . 1 178 178 LEU HD12 H 1 0.822 0.016 . 1 . . . . . 178 L HD1 . 28061 1 2069 . 1 . 1 178 178 LEU HD13 H 1 0.822 0.016 . 1 . . . . . 178 L HD1 . 28061 1 2070 . 1 . 1 178 178 LEU HD21 H 1 0.886 0.009 . 1 . . . . . 178 L HD2 . 28061 1 2071 . 1 . 1 178 178 LEU HD22 H 1 0.886 0.009 . 1 . . . . . 178 L HD2 . 28061 1 2072 . 1 . 1 178 178 LEU HD23 H 1 0.886 0.009 . 1 . . . . . 178 L HD2 . 28061 1 2073 . 1 . 1 178 178 LEU C C 13 177.110 0.000 . 1 . . . . . 178 L C . 28061 1 2074 . 1 . 1 178 178 LEU CA C 13 55.254 0.115 . 1 . . . . . 178 L CA . 28061 1 2075 . 1 . 1 178 178 LEU CB C 13 42.626 0.104 . 1 . . . . . 178 L CB . 28061 1 2076 . 1 . 1 178 178 LEU CG C 13 26.629 0.045 . 1 . . . . . 178 L CG . 28061 1 2077 . 1 . 1 178 178 LEU CD1 C 13 23.118 0.202 . 1 . . . . . 178 L CD1 . 28061 1 2078 . 1 . 1 178 178 LEU CD2 C 13 25.461 0.120 . 1 . . . . . 178 L CD2 . 28061 1 2079 . 1 . 1 178 178 LEU N N 15 120.412 0.072 . 1 . . . . . 178 L N . 28061 1 2080 . 1 . 1 179 179 GLU H H 1 8.023 0.005 . 1 . . . . . 179 E H . 28061 1 2081 . 1 . 1 179 179 GLU HA H 1 3.978 0.015 . 1 . . . . . 179 E HA . 28061 1 2082 . 1 . 1 179 179 GLU HB2 H 1 2.064 0.128 . 2 . . . . . 179 E HB2 . 28061 1 2083 . 1 . 1 179 179 GLU HB3 H 1 1.786 0.008 . 2 . . . . . 179 E HB3 . 28061 1 2084 . 1 . 1 179 179 GLU HG2 H 1 2.111 0.008 . 2 . . . . . 179 E HG2 . 28061 1 2085 . 1 . 1 179 179 GLU HG3 H 1 2.050 0.018 . 2 . . . . . 179 E HG3 . 28061 1 2086 . 1 . 1 179 179 GLU CA C 13 56.956 0.000 . 1 . . . . . 179 E CA . 28061 1 2087 . 1 . 1 179 179 GLU CB C 13 30.006 0.097 . 1 . . . . . 179 E CB . 28061 1 2088 . 1 . 1 179 179 GLU CG C 13 36.251 0.112 . 1 . . . . . 179 E CG . 28061 1 2089 . 1 . 1 179 179 GLU N N 15 119.628 0.119 . 1 . . . . . 179 E N . 28061 1 2090 . 1 . 1 180 180 HIS H H 1 8.114 0.007 . 1 . . . . . 180 H H . 28061 1 2091 . 1 . 1 180 180 HIS HA H 1 4.563 0.018 . 1 . . . . . 180 H HA . 28061 1 2092 . 1 . 1 180 180 HIS HB2 H 1 3.070 0.053 . 2 . . . . . 180 H HB2 . 28061 1 2093 . 1 . 1 180 180 HIS HB3 H 1 3.108 0.008 . 2 . . . . . 180 H HB3 . 28061 1 2094 . 1 . 1 180 180 HIS C C 13 174.030 0.000 . 1 . . . . . 180 H C . 28061 1 2095 . 1 . 1 180 180 HIS CA C 13 56.044 0.073 . 1 . . . . . 180 H CA . 28061 1 2096 . 1 . 1 180 180 HIS CB C 13 30.384 0.081 . 1 . . . . . 180 H CB . 28061 1 2097 . 1 . 1 180 180 HIS N N 15 118.418 0.082 . 1 . . . . . 180 H N . 28061 1 2098 . 1 . 1 181 181 HIS H H 1 8.026 0.006 . 1 . . . . . 181 H H . 28061 1 2099 . 1 . 1 181 181 HIS HA H 1 4.402 0.008 . 1 . . . . . 181 H HA . 28061 1 2100 . 1 . 1 181 181 HIS HB2 H 1 3.165 0.003 . 2 . . . . . 181 H HB2 . 28061 1 2101 . 1 . 1 181 181 HIS HB3 H 1 3.038 0.004 . 2 . . . . . 181 H HB3 . 28061 1 2102 . 1 . 1 181 181 HIS CA C 13 57.398 0.073 . 1 . . . . . 181 H CA . 28061 1 2103 . 1 . 1 181 181 HIS CB C 13 30.542 0.081 . 1 . . . . . 181 H CB . 28061 1 2104 . 1 . 1 181 181 HIS N N 15 125.598 0.093 . 1 . . . . . 181 H N . 28061 1 stop_ save_