data_52016 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52016 _Entry.Title ; Mdm2_aa111-293_human ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-07-07 _Entry.Accession_date 2023-07-07 _Entry.Last_release_date 2023-07-07 _Entry.Original_release_date 2023-07-07 _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 'Assignment of 1H/13C/15N resonances of a peptide fragment of human Mdm2 : amino acids 111 to 293' _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 Francois-Xavier Theillet . . . . 52016 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52016 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 536 52016 '15N chemical shifts' 178 52016 '1H chemical shifts' 178 52016 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 . . 2023-07-10 . original BMRB . 52016 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52016 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural characterization of the MDM2 NLS/NES/arrestin-binding/acidic domain in phospho- and unmodified-forms ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Francois-Xavier Theillet . . . . 52016 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CK1 52016 1 MDM2 52016 1 p53 52016 1 phosphorylation 52016 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52016 _Assembly.ID 1 _Assembly.Name Mdm2_aa111-293 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 Mdm2_aa111-293 1 $entity_1 . . yes native no no . . . 52016 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'E3-ubiquitin ligase' 52016 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52016 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GNQQESSDSGTSVSENRCHL EGGSDQKDLVQELQEEKPSS SHLVSRPSTSSRRRAISETE ENSDELSGERQRKRHKSDSI SLSFDESLALCVIREICCER SSSSESTGTPSNPDLDAGVS EHSGDWLDQDSVSDQFSVEF EVESLDSEDYSLSEEGQELS DEDDEVYQVTVYQAGESDTD SFEE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'One supplementary Glycine in N-terminal, remaining from Tev-motif (ENLYFQG) after cleavage by Tev-protease.' _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 184 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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_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 . GLY . 52016 1 2 . ASN . 52016 1 3 . GLN . 52016 1 4 . GLN . 52016 1 5 . GLU . 52016 1 6 . SER . 52016 1 7 . SER . 52016 1 8 . ASP . 52016 1 9 . SER . 52016 1 10 . GLY . 52016 1 11 . THR . 52016 1 12 . SER . 52016 1 13 . VAL . 52016 1 14 . SER . 52016 1 15 . GLU . 52016 1 16 . ASN . 52016 1 17 . ARG . 52016 1 18 . CYS . 52016 1 19 . HIS . 52016 1 20 . LEU . 52016 1 21 . GLU . 52016 1 22 . GLY . 52016 1 23 . GLY . 52016 1 24 . SER . 52016 1 25 . ASP . 52016 1 26 . GLN . 52016 1 27 . LYS . 52016 1 28 . ASP . 52016 1 29 . LEU . 52016 1 30 . VAL . 52016 1 31 . GLN . 52016 1 32 . GLU . 52016 1 33 . LEU . 52016 1 34 . GLN . 52016 1 35 . GLU . 52016 1 36 . GLU . 52016 1 37 . LYS . 52016 1 38 . PRO . 52016 1 39 . SER . 52016 1 40 . SER . 52016 1 41 . SER . 52016 1 42 . HIS . 52016 1 43 . LEU . 52016 1 44 . VAL . 52016 1 45 . SER . 52016 1 46 . ARG . 52016 1 47 . PRO . 52016 1 48 . SER . 52016 1 49 . THR . 52016 1 50 . SER . 52016 1 51 . SER . 52016 1 52 . ARG . 52016 1 53 . ARG . 52016 1 54 . ARG . 52016 1 55 . ALA . 52016 1 56 . ILE . 52016 1 57 . SER . 52016 1 58 . GLU . 52016 1 59 . THR . 52016 1 60 . GLU . 52016 1 61 . GLU . 52016 1 62 . ASN . 52016 1 63 . SER . 52016 1 64 . ASP . 52016 1 65 . GLU . 52016 1 66 . LEU . 52016 1 67 . SER . 52016 1 68 . GLY . 52016 1 69 . GLU . 52016 1 70 . ARG . 52016 1 71 . GLN . 52016 1 72 . ARG . 52016 1 73 . LYS . 52016 1 74 . ARG . 52016 1 75 . HIS . 52016 1 76 . LYS . 52016 1 77 . SER . 52016 1 78 . ASP . 52016 1 79 . SER . 52016 1 80 . ILE . 52016 1 81 . SER . 52016 1 82 . LEU . 52016 1 83 . SER . 52016 1 84 . PHE . 52016 1 85 . ASP . 52016 1 86 . GLU . 52016 1 87 . SER . 52016 1 88 . LEU . 52016 1 89 . ALA . 52016 1 90 . LEU . 52016 1 91 . CYS . 52016 1 92 . VAL . 52016 1 93 . ILE . 52016 1 94 . ARG . 52016 1 95 . GLU . 52016 1 96 . ILE . 52016 1 97 . CYS . 52016 1 98 . CYS . 52016 1 99 . GLU . 52016 1 100 . ARG . 52016 1 101 . SER . 52016 1 102 . SER . 52016 1 103 . SER . 52016 1 104 . SER . 52016 1 105 . GLU . 52016 1 106 . SER . 52016 1 107 . THR . 52016 1 108 . GLY . 52016 1 109 . THR . 52016 1 110 . PRO . 52016 1 111 . SER . 52016 1 112 . ASN . 52016 1 113 . PRO . 52016 1 114 . ASP . 52016 1 115 . LEU . 52016 1 116 . ASP . 52016 1 117 . ALA . 52016 1 118 . GLY . 52016 1 119 . VAL . 52016 1 120 . SER . 52016 1 121 . GLU . 52016 1 122 . HIS . 52016 1 123 . SER . 52016 1 124 . GLY . 52016 1 125 . ASP . 52016 1 126 . TRP . 52016 1 127 . LEU . 52016 1 128 . ASP . 52016 1 129 . GLN . 52016 1 130 . ASP . 52016 1 131 . SER . 52016 1 132 . VAL . 52016 1 133 . SER . 52016 1 134 . ASP . 52016 1 135 . GLN . 52016 1 136 . PHE . 52016 1 137 . SER . 52016 1 138 . VAL . 52016 1 139 . GLU . 52016 1 140 . PHE . 52016 1 141 . GLU . 52016 1 142 . VAL . 52016 1 143 . GLU . 52016 1 144 . SER . 52016 1 145 . LEU . 52016 1 146 . ASP . 52016 1 147 . SER . 52016 1 148 . GLU . 52016 1 149 . ASP . 52016 1 150 . TYR . 52016 1 151 . SER . 52016 1 152 . LEU . 52016 1 153 . SER . 52016 1 154 . GLU . 52016 1 155 . GLU . 52016 1 156 . GLY . 52016 1 157 . GLN . 52016 1 158 . GLU . 52016 1 159 . LEU . 52016 1 160 . SER . 52016 1 161 . ASP . 52016 1 162 . GLU . 52016 1 163 . ASP . 52016 1 164 . ASP . 52016 1 165 . GLU . 52016 1 166 . VAL . 52016 1 167 . TYR . 52016 1 168 . GLN . 52016 1 169 . VAL . 52016 1 170 . THR . 52016 1 171 . VAL . 52016 1 172 . TYR . 52016 1 173 . GLN . 52016 1 174 . ALA . 52016 1 175 . GLY . 52016 1 176 . GLU . 52016 1 177 . SER . 52016 1 178 . ASP . 52016 1 179 . THR . 52016 1 180 . ASP . 52016 1 181 . SER . 52016 1 182 . PHE . 52016 1 183 . GLU . 52016 1 184 . GLU . 52016 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 52016 1 . ASN 2 2 52016 1 . GLN 3 3 52016 1 . GLN 4 4 52016 1 . GLU 5 5 52016 1 . SER 6 6 52016 1 . SER 7 7 52016 1 . ASP 8 8 52016 1 . SER 9 9 52016 1 . GLY 10 10 52016 1 . THR 11 11 52016 1 . SER 12 12 52016 1 . VAL 13 13 52016 1 . SER 14 14 52016 1 . GLU 15 15 52016 1 . ASN 16 16 52016 1 . ARG 17 17 52016 1 . CYS 18 18 52016 1 . HIS 19 19 52016 1 . LEU 20 20 52016 1 . GLU 21 21 52016 1 . GLY 22 22 52016 1 . GLY 23 23 52016 1 . SER 24 24 52016 1 . ASP 25 25 52016 1 . GLN 26 26 52016 1 . LYS 27 27 52016 1 . ASP 28 28 52016 1 . LEU 29 29 52016 1 . VAL 30 30 52016 1 . GLN 31 31 52016 1 . GLU 32 32 52016 1 . LEU 33 33 52016 1 . GLN 34 34 52016 1 . GLU 35 35 52016 1 . GLU 36 36 52016 1 . LYS 37 37 52016 1 . PRO 38 38 52016 1 . SER 39 39 52016 1 . SER 40 40 52016 1 . SER 41 41 52016 1 . HIS 42 42 52016 1 . LEU 43 43 52016 1 . VAL 44 44 52016 1 . SER 45 45 52016 1 . ARG 46 46 52016 1 . PRO 47 47 52016 1 . SER 48 48 52016 1 . THR 49 49 52016 1 . SER 50 50 52016 1 . SER 51 51 52016 1 . ARG 52 52 52016 1 . ARG 53 53 52016 1 . ARG 54 54 52016 1 . ALA 55 55 52016 1 . ILE 56 56 52016 1 . SER 57 57 52016 1 . GLU 58 58 52016 1 . THR 59 59 52016 1 . GLU 60 60 52016 1 . GLU 61 61 52016 1 . ASN 62 62 52016 1 . SER 63 63 52016 1 . ASP 64 64 52016 1 . GLU 65 65 52016 1 . LEU 66 66 52016 1 . SER 67 67 52016 1 . GLY 68 68 52016 1 . GLU 69 69 52016 1 . ARG 70 70 52016 1 . GLN 71 71 52016 1 . ARG 72 72 52016 1 . LYS 73 73 52016 1 . ARG 74 74 52016 1 . HIS 75 75 52016 1 . LYS 76 76 52016 1 . SER 77 77 52016 1 . ASP 78 78 52016 1 . SER 79 79 52016 1 . ILE 80 80 52016 1 . SER 81 81 52016 1 . LEU 82 82 52016 1 . SER 83 83 52016 1 . PHE 84 84 52016 1 . ASP 85 85 52016 1 . GLU 86 86 52016 1 . SER 87 87 52016 1 . LEU 88 88 52016 1 . ALA 89 89 52016 1 . LEU 90 90 52016 1 . CYS 91 91 52016 1 . VAL 92 92 52016 1 . ILE 93 93 52016 1 . ARG 94 94 52016 1 . GLU 95 95 52016 1 . ILE 96 96 52016 1 . CYS 97 97 52016 1 . CYS 98 98 52016 1 . GLU 99 99 52016 1 . ARG 100 100 52016 1 . SER 101 101 52016 1 . SER 102 102 52016 1 . SER 103 103 52016 1 . SER 104 104 52016 1 . GLU 105 105 52016 1 . SER 106 106 52016 1 . THR 107 107 52016 1 . GLY 108 108 52016 1 . THR 109 109 52016 1 . PRO 110 110 52016 1 . SER 111 111 52016 1 . ASN 112 112 52016 1 . PRO 113 113 52016 1 . ASP 114 114 52016 1 . LEU 115 115 52016 1 . ASP 116 116 52016 1 . ALA 117 117 52016 1 . GLY 118 118 52016 1 . VAL 119 119 52016 1 . SER 120 120 52016 1 . GLU 121 121 52016 1 . HIS 122 122 52016 1 . SER 123 123 52016 1 . GLY 124 124 52016 1 . ASP 125 125 52016 1 . TRP 126 126 52016 1 . LEU 127 127 52016 1 . ASP 128 128 52016 1 . GLN 129 129 52016 1 . ASP 130 130 52016 1 . SER 131 131 52016 1 . VAL 132 132 52016 1 . SER 133 133 52016 1 . ASP 134 134 52016 1 . GLN 135 135 52016 1 . PHE 136 136 52016 1 . SER 137 137 52016 1 . VAL 138 138 52016 1 . GLU 139 139 52016 1 . PHE 140 140 52016 1 . GLU 141 141 52016 1 . VAL 142 142 52016 1 . GLU 143 143 52016 1 . SER 144 144 52016 1 . LEU 145 145 52016 1 . ASP 146 146 52016 1 . SER 147 147 52016 1 . GLU 148 148 52016 1 . ASP 149 149 52016 1 . TYR 150 150 52016 1 . SER 151 151 52016 1 . LEU 152 152 52016 1 . SER 153 153 52016 1 . GLU 154 154 52016 1 . GLU 155 155 52016 1 . GLY 156 156 52016 1 . GLN 157 157 52016 1 . GLU 158 158 52016 1 . LEU 159 159 52016 1 . SER 160 160 52016 1 . ASP 161 161 52016 1 . GLU 162 162 52016 1 . ASP 163 163 52016 1 . ASP 164 164 52016 1 . GLU 165 165 52016 1 . VAL 166 166 52016 1 . TYR 167 167 52016 1 . GLN 168 168 52016 1 . VAL 169 169 52016 1 . THR 170 170 52016 1 . VAL 171 171 52016 1 . TYR 172 172 52016 1 . GLN 173 173 52016 1 . ALA 174 174 52016 1 . GLY 175 175 52016 1 . GLU 176 176 52016 1 . SER 177 177 52016 1 . ASP 178 178 52016 1 . THR 179 179 52016 1 . ASP 180 180 52016 1 . SER 181 181 52016 1 . PHE 182 182 52016 1 . GLU 183 183 52016 1 . GLU 184 184 52016 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52016 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52016 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52016 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . plasmid . . pET41(b+) . . . 52016 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52016 _Sample.ID 1 _Sample.Name Mdm2_aa111-293 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 Mdm2_aa111-293 '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 600 . . uM . . . . 52016 1 2 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 52016 1 3 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 52016 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 52016 1 5 TCEP 'natural abundance' . . . . . . 4 . . mM . . . . 52016 1 6 'cocktail protease inhibitors' 'natural abundance' . . . . . . 2 . . tablet/100mL . . . . 52016 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 52016 _Sample_condition_list.ID 1 _Sample_condition_list.Name Mdm2_aa111-293 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.06 . M 52016 1 pH 6.2 . pH 52016 1 pressure 1 . atm 52016 1 temperature 283 . K 52016 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52016 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52016 1 processing . 52016 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52016 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version 2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52016 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52016 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 700_Saclay _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52016 _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 '1D 1H' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52016 1 2 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52016 1 3 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52016 1 4 '3D HNCACO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52016 1 5 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52016 1 6 '3D H(NCA)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52016 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52016 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 -0.247 internal indirect . . . . . . 52016 1 H 1 DSS 'methyl protons' . . . . ppm -0.247 internal direct 1 . . . . . 52016 1 N 15 DSS 'methyl protons' . . . . ppm -0.247 internal indirect . . . . . . 52016 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52016 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Mdm2_aa111-293 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 'Spectral resolution' _Assigned_chem_shift_list.Details '0.05 for CO, 0.2 for CA-CB' _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 2 '2D 1H-15N HSQC' . . . 52016 1 3 '3D HNCO' . . . 52016 1 4 '3D HNCACO' . . . 52016 1 5 '3D HNCACB' . . . 52016 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52016 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ASN C C 13 175.2386138 0.05 . . . . . . . 2 ASN C . 52016 1 2 . 1 . 1 2 2 ASN CA C 13 53.04644978 0.2 . . . . . . . 2 ASN CA . 52016 1 3 . 1 . 1 2 2 ASN CB C 13 38.65863418 0.2 . . . . . . . 2 ASN CB . 52016 1 4 . 1 . 1 3 3 GLN H H 1 8.469643222 0.01 . . . . . . . 3 GLN H . 52016 1 5 . 1 . 1 3 3 GLN C C 13 175.7863948 0.05 . . . . . . . 3 GLN C . 52016 1 6 . 1 . 1 3 3 GLN CA C 13 56.09447095 0.2 . . . . . . . 3 GLN CA . 52016 1 7 . 1 . 1 3 3 GLN CB C 13 28.85585139 0.2 . . . . . . . 3 GLN CB . 52016 1 8 . 1 . 1 3 3 GLN N N 15 120.7628097 0.05 . . . . . . . 3 GLN N . 52016 1 9 . 1 . 1 4 4 GLN H H 1 8.312067746 0.01 . . . . . . . 4 GLN H . 52016 1 10 . 1 . 1 4 4 GLN C C 13 175.876854 0.05 . . . . . . . 4 GLN C . 52016 1 11 . 1 . 1 4 4 GLN CA C 13 55.91025671 0.2 . . . . . . . 4 GLN CA . 52016 1 12 . 1 . 1 4 4 GLN CB C 13 29.06728733 0.2 . . . . . . . 4 GLN CB . 52016 1 13 . 1 . 1 4 4 GLN N N 15 121.2754617 0.05 . . . . . . . 4 GLN N . 52016 1 14 . 1 . 1 5 5 GLU H H 1 8.339506645 0.01 . . . . . . . 5 GLU H . 52016 1 15 . 1 . 1 5 5 GLU C C 13 176.4045329 0.05 . . . . . . . 5 GLU C . 52016 1 16 . 1 . 1 5 5 GLU CA C 13 56.42403444 0.2 . . . . . . . 5 GLU CA . 52016 1 17 . 1 . 1 5 5 GLU CB C 13 29.98748625 0.2 . . . . . . . 5 GLU CB . 52016 1 18 . 1 . 1 5 5 GLU N N 15 122.3567314 0.05 . . . . . . . 5 GLU N . 52016 1 19 . 1 . 1 6 6 SER H H 1 8.287166049 0.01 . . . . . . . 6 SER H . 52016 1 20 . 1 . 1 6 6 SER C C 13 174.5651951 0.05 . . . . . . . 6 SER C . 52016 1 21 . 1 . 1 6 6 SER CA C 13 58.18774904 0.2 . . . . . . . 6 SER CA . 52016 1 22 . 1 . 1 6 6 SER CB C 13 63.61692268 0.2 . . . . . . . 6 SER CB . 52016 1 23 . 1 . 1 6 6 SER N N 15 116.8815032 0.05 . . . . . . . 6 SER N . 52016 1 24 . 1 . 1 7 7 SER H H 1 8.312023264 0.01 . . . . . . . 7 SER H . 52016 1 25 . 1 . 1 7 7 SER C C 13 174.2029526 0.05 . . . . . . . 7 SER C . 52016 1 26 . 1 . 1 7 7 SER CA C 13 58.30792926 0.2 . . . . . . . 7 SER CA . 52016 1 27 . 1 . 1 7 7 SER CB C 13 63.60208189 0.2 . . . . . . . 7 SER CB . 52016 1 28 . 1 . 1 7 7 SER N N 15 117.937714 0.05 . . . . . . . 7 SER N . 52016 1 29 . 1 . 1 8 8 ASP H H 1 8.216617212 0.01 . . . . . . . 8 ASP H . 52016 1 30 . 1 . 1 8 8 ASP C C 13 176.3232214 0.05 . . . . . . . 8 ASP C . 52016 1 31 . 1 . 1 8 8 ASP CA C 13 54.23251218 0.2 . . . . . . . 8 ASP CA . 52016 1 32 . 1 . 1 8 8 ASP CB C 13 40.92227329 0.2 . . . . . . . 8 ASP CB . 52016 1 33 . 1 . 1 8 8 ASP N N 15 122.2791284 0.05 . . . . . . . 8 ASP N . 52016 1 34 . 1 . 1 9 9 SER H H 1 8.165704241 0.01 . . . . . . . 9 SER H . 52016 1 35 . 1 . 1 9 9 SER C C 13 175.1306182 0.05 . . . . . . . 9 SER C . 52016 1 36 . 1 . 1 9 9 SER CA C 13 58.80927391 0.2 . . . . . . . 9 SER CA . 52016 1 37 . 1 . 1 9 9 SER CB C 13 63.40378496 0.2 . . . . . . . 9 SER CB . 52016 1 38 . 1 . 1 9 9 SER N N 15 116.4642108 0.05 . . . . . . . 9 SER N . 52016 1 39 . 1 . 1 10 10 GLY H H 1 8.334303108 0.01 . . . . . . . 10 GLY H . 52016 1 40 . 1 . 1 10 10 GLY C C 13 174.3331688 0.05 . . . . . . . 10 GLY C . 52016 1 41 . 1 . 1 10 10 GLY CA C 13 45.2864964 0.2 . . . . . . . 10 GLY CA . 52016 1 42 . 1 . 1 10 10 GLY N N 15 110.7603515 0.05 . . . . . . . 10 GLY N . 52016 1 43 . 1 . 1 11 11 THR H H 1 7.885050858 0.01 . . . . . . . 11 THR H . 52016 1 44 . 1 . 1 11 11 THR C C 13 174.5806531 0.05 . . . . . . . 11 THR C . 52016 1 45 . 1 . 1 11 11 THR CA C 13 61.64005051 0.2 . . . . . . . 11 THR CA . 52016 1 46 . 1 . 1 11 11 THR CB C 13 69.54932296 0.2 . . . . . . . 11 THR CB . 52016 1 47 . 1 . 1 11 11 THR N N 15 113.3522615 0.05 . . . . . . . 11 THR N . 52016 1 48 . 1 . 1 12 12 SER H H 1 8.238445951 0.01 . . . . . . . 12 SER H . 52016 1 49 . 1 . 1 12 12 SER C C 13 174.5352917 0.05 . . . . . . . 12 SER C . 52016 1 50 . 1 . 1 12 12 SER CA C 13 58.24976291 0.2 . . . . . . . 12 SER CA . 52016 1 51 . 1 . 1 12 12 SER CB C 13 63.49463853 0.2 . . . . . . . 12 SER CB . 52016 1 52 . 1 . 1 12 12 SER N N 15 118.5826588 0.05 . . . . . . . 12 SER N . 52016 1 53 . 1 . 1 13 13 VAL H H 1 8.076552185 0.01 . . . . . . . 13 VAL H . 52016 1 54 . 1 . 1 13 13 VAL C C 13 176.3093085 0.05 . . . . . . . 13 VAL C . 52016 1 55 . 1 . 1 13 13 VAL CA C 13 62.33891155 0.2 . . . . . . . 13 VAL CA . 52016 1 56 . 1 . 1 13 13 VAL CB C 13 32.3226027 0.2 . . . . . . . 13 VAL CB . 52016 1 57 . 1 . 1 13 13 VAL N N 15 121.7145435 0.05 . . . . . . . 13 VAL N . 52016 1 58 . 1 . 1 14 14 SER H H 1 8.192352396 0.01 . . . . . . . 14 SER H . 52016 1 59 . 1 . 1 14 14 SER C C 13 174.6030599 0.05 . . . . . . . 14 SER C . 52016 1 60 . 1 . 1 14 14 SER CA C 13 58.39153872 0.2 . . . . . . . 14 SER CA . 52016 1 61 . 1 . 1 14 14 SER CB C 13 63.46154665 0.2 . . . . . . . 14 SER CB . 52016 1 62 . 1 . 1 14 14 SER N N 15 118.9735991 0.05 . . . . . . . 14 SER N . 52016 1 63 . 1 . 1 15 15 GLU H H 1 8.2696242 0.01 . . . . . . . 15 GLU H . 52016 1 64 . 1 . 1 15 15 GLU C C 13 176.0534837 0.05 . . . . . . . 15 GLU C . 52016 1 65 . 1 . 1 15 15 GLU CA C 13 56.64081087 0.2 . . . . . . . 15 GLU CA . 52016 1 66 . 1 . 1 15 15 GLU CB C 13 30.01511797 0.2 . . . . . . . 15 GLU CB . 52016 1 67 . 1 . 1 15 15 GLU N N 15 122.8589246 0.05 . . . . . . . 15 GLU N . 52016 1 68 . 1 . 1 16 16 ASN H H 1 8.273061948 0.01 . . . . . . . 16 ASN H . 52016 1 69 . 1 . 1 16 16 ASN C C 13 175.1895636 0.05 . . . . . . . 16 ASN C . 52016 1 70 . 1 . 1 16 16 ASN CA C 13 53.27747769 0.2 . . . . . . . 16 ASN CA . 52016 1 71 . 1 . 1 16 16 ASN CB C 13 38.35074417 0.2 . . . . . . . 16 ASN CB . 52016 1 72 . 1 . 1 16 16 ASN N N 15 119.602025 0.05 . . . . . . . 16 ASN N . 52016 1 73 . 1 . 1 17 17 ARG H H 1 8.175016458 0.01 . . . . . . . 17 ARG H . 52016 1 74 . 1 . 1 17 17 ARG C C 13 176.1568457 0.05 . . . . . . . 17 ARG C . 52016 1 75 . 1 . 1 17 17 ARG CA C 13 56.14257029 0.2 . . . . . . . 17 ARG CA . 52016 1 76 . 1 . 1 17 17 ARG CB C 13 30.21598765 0.2 . . . . . . . 17 ARG CB . 52016 1 77 . 1 . 1 17 17 ARG N N 15 121.5726972 0.05 . . . . . . . 17 ARG N . 52016 1 78 . 1 . 1 18 18 CYS H H 1 8.167281198 0.01 . . . . . . . 18 CYS H . 52016 1 79 . 1 . 1 18 18 CYS C C 13 174.3407454 0.05 . . . . . . . 18 CYS C . 52016 1 80 . 1 . 1 18 18 CYS CA C 13 58.81138771 0.2 . . . . . . . 18 CYS CA . 52016 1 81 . 1 . 1 18 18 CYS CB C 13 27.46197969 0.2 . . . . . . . 18 CYS CB . 52016 1 82 . 1 . 1 18 18 CYS N N 15 119.5512221 0.05 . . . . . . . 18 CYS N . 52016 1 83 . 1 . 1 19 19 HIS H H 1 8.368636388 0.01 . . . . . . . 19 HIS H . 52016 1 84 . 1 . 1 19 19 HIS C C 13 174.3806725 0.05 . . . . . . . 19 HIS C . 52016 1 85 . 1 . 1 19 19 HIS CA C 13 55.6537471 0.2 . . . . . . . 19 HIS CA . 52016 1 86 . 1 . 1 19 19 HIS CB C 13 28.9685875 0.2 . . . . . . . 19 HIS CB . 52016 1 87 . 1 . 1 19 19 HIS N N 15 121.1982299 0.05 . . . . . . . 19 HIS N . 52016 1 88 . 1 . 1 20 20 LEU H H 1 8.091237827 0.01 . . . . . . . 20 LEU H . 52016 1 89 . 1 . 1 20 20 LEU C C 13 177.1418527 0.05 . . . . . . . 20 LEU C . 52016 1 90 . 1 . 1 20 20 LEU CA C 13 54.93138622 0.2 . . . . . . . 20 LEU CA . 52016 1 91 . 1 . 1 20 20 LEU CB C 13 42.04925131 0.2 . . . . . . . 20 LEU CB . 52016 1 92 . 1 . 1 20 20 LEU N N 15 123.8064677 0.05 . . . . . . . 20 LEU N . 52016 1 93 . 1 . 1 21 21 GLU H H 1 8.373158042 0.01 . . . . . . . 21 GLU H . 52016 1 94 . 1 . 1 21 21 GLU C C 13 176.8531888 0.05 . . . . . . . 21 GLU C . 52016 1 95 . 1 . 1 21 21 GLU CA C 13 56.56989491 0.2 . . . . . . . 21 GLU CA . 52016 1 96 . 1 . 1 21 21 GLU CB C 13 29.78818258 0.2 . . . . . . . 21 GLU CB . 52016 1 97 . 1 . 1 21 21 GLU N N 15 122.0165022 0.05 . . . . . . . 21 GLU N . 52016 1 98 . 1 . 1 22 22 GLY H H 1 8.349577882 0.01 . . . . . . . 22 GLY H . 52016 1 99 . 1 . 1 22 22 GLY C C 13 174.5814118 0.05 . . . . . . . 22 GLY C . 52016 1 100 . 1 . 1 22 22 GLY CA C 13 45.18402399 0.2 . . . . . . . 22 GLY CA . 52016 1 101 . 1 . 1 22 22 GLY N N 15 110.3823595 0.05 . . . . . . . 22 GLY N . 52016 1 102 . 1 . 1 23 23 GLY H H 1 8.139001696 0.01 . . . . . . . 23 GLY H . 52016 1 103 . 1 . 1 23 23 GLY C C 13 174.1951986 0.05 . . . . . . . 23 GLY C . 52016 1 104 . 1 . 1 23 23 GLY CA C 13 44.96548676 0.2 . . . . . . . 23 GLY CA . 52016 1 105 . 1 . 1 23 23 GLY N N 15 108.5954905 0.05 . . . . . . . 23 GLY N . 52016 1 106 . 1 . 1 24 24 SER H H 1 8.184964582 0.01 . . . . . . . 24 SER H . 52016 1 107 . 1 . 1 24 24 SER C C 13 174.2142207 0.05 . . . . . . . 24 SER C . 52016 1 108 . 1 . 1 24 24 SER CA C 13 58.28630122 0.2 . . . . . . . 24 SER CA . 52016 1 109 . 1 . 1 24 24 SER CB C 13 63.63531091 0.2 . . . . . . . 24 SER CB . 52016 1 110 . 1 . 1 24 24 SER N N 15 115.3361387 0.05 . . . . . . . 24 SER N . 52016 1 111 . 1 . 1 25 25 ASP H H 1 8.338536132 0.01 . . . . . . . 25 ASP H . 52016 1 112 . 1 . 1 25 25 ASP C C 13 176.0777097 0.05 . . . . . . . 25 ASP C . 52016 1 113 . 1 . 1 25 25 ASP CA C 13 54.29986714 0.2 . . . . . . . 25 ASP CA . 52016 1 114 . 1 . 1 25 25 ASP CB C 13 40.71357913 0.2 . . . . . . . 25 ASP CB . 52016 1 115 . 1 . 1 25 25 ASP N N 15 122.1083648 0.05 . . . . . . . 25 ASP N . 52016 1 116 . 1 . 1 26 26 GLN H H 1 8.110723789 0.01 . . . . . . . 26 GLN H . 52016 1 117 . 1 . 1 26 26 GLN C C 13 175.9669642 0.05 . . . . . . . 26 GLN C . 52016 1 118 . 1 . 1 26 26 GLN CA C 13 55.89791455 0.2 . . . . . . . 26 GLN CA . 52016 1 119 . 1 . 1 26 26 GLN CB C 13 28.97691113 0.2 . . . . . . . 26 GLN CB . 52016 1 120 . 1 . 1 26 26 GLN N N 15 120.4948025 0.05 . . . . . . . 26 GLN N . 52016 1 121 . 1 . 1 27 27 LYS H H 1 8.175261072 0.01 . . . . . . . 27 LYS H . 52016 1 122 . 1 . 1 27 27 LYS C C 13 176.1910793 0.05 . . . . . . . 27 LYS C . 52016 1 123 . 1 . 1 27 27 LYS CA C 13 56.45590864 0.2 . . . . . . . 27 LYS CA . 52016 1 124 . 1 . 1 27 27 LYS CB C 13 32.60172839 0.2 . . . . . . . 27 LYS CB . 52016 1 125 . 1 . 1 27 27 LYS N N 15 122.2141206 0.05 . . . . . . . 27 LYS N . 52016 1 126 . 1 . 1 28 28 ASP H H 1 8.179399872 0.01 . . . . . . . 28 ASP H . 52016 1 127 . 1 . 1 28 28 ASP C C 13 175.8676384 0.05 . . . . . . . 28 ASP C . 52016 1 128 . 1 . 1 28 28 ASP CA C 13 54.25933367 0.2 . . . . . . . 28 ASP CA . 52016 1 129 . 1 . 1 28 28 ASP CB C 13 40.65671524 0.2 . . . . . . . 28 ASP CB . 52016 1 130 . 1 . 1 28 28 ASP N N 15 120.5205676 0.05 . . . . . . . 28 ASP N . 52016 1 131 . 1 . 1 29 29 LEU H H 1 7.911689729 0.01 . . . . . . . 29 LEU H . 52016 1 132 . 1 . 1 29 29 LEU C C 13 177.2244101 0.05 . . . . . . . 29 LEU C . 52016 1 133 . 1 . 1 29 29 LEU CA C 13 55.16202723 0.2 . . . . . . . 29 LEU CA . 52016 1 134 . 1 . 1 29 29 LEU CB C 13 41.95902267 0.2 . . . . . . . 29 LEU CB . 52016 1 135 . 1 . 1 29 29 LEU N N 15 122.1684563 0.05 . . . . . . . 29 LEU N . 52016 1 136 . 1 . 1 30 30 VAL H H 1 7.979184753 0.01 . . . . . . . 30 VAL H . 52016 1 137 . 1 . 1 30 30 VAL C C 13 176.0556674 0.05 . . . . . . . 30 VAL C . 52016 1 138 . 1 . 1 30 30 VAL CA C 13 62.42477508 0.2 . . . . . . . 30 VAL CA . 52016 1 139 . 1 . 1 30 30 VAL CB C 13 32.20478927 0.2 . . . . . . . 30 VAL CB . 52016 1 140 . 1 . 1 30 30 VAL N N 15 121.8271098 0.05 . . . . . . . 30 VAL N . 52016 1 141 . 1 . 1 31 31 GLN H H 1 8.271770617 0.01 . . . . . . . 31 GLN H . 52016 1 142 . 1 . 1 31 31 GLN C C 13 175.7106045 0.05 . . . . . . . 31 GLN C . 52016 1 143 . 1 . 1 31 31 GLN CA C 13 55.61818593 0.2 . . . . . . . 31 GLN CA . 52016 1 144 . 1 . 1 31 31 GLN CB C 13 29.32787487 0.2 . . . . . . . 31 GLN CB . 52016 1 145 . 1 . 1 31 31 GLN N N 15 124.4260856 0.05 . . . . . . . 31 GLN N . 52016 1 146 . 1 . 1 32 32 GLU H H 1 8.330805103 0.01 . . . . . . . 32 GLU H . 52016 1 147 . 1 . 1 32 32 GLU C C 13 176.2262766 0.05 . . . . . . . 32 GLU C . 52016 1 148 . 1 . 1 32 32 GLU CA C 13 56.46485848 0.2 . . . . . . . 32 GLU CA . 52016 1 149 . 1 . 1 32 32 GLU CB C 13 29.90766836 0.2 . . . . . . . 32 GLU CB . 52016 1 150 . 1 . 1 32 32 GLU N N 15 122.6629424 0.05 . . . . . . . 32 GLU N . 52016 1 151 . 1 . 1 33 33 LEU H H 1 8.183264044 0.01 . . . . . . . 33 LEU H . 52016 1 152 . 1 . 1 33 33 LEU C C 13 177.120134 0.05 . . . . . . . 33 LEU C . 52016 1 153 . 1 . 1 33 33 LEU CA C 13 55.00138029 0.2 . . . . . . . 33 LEU CA . 52016 1 154 . 1 . 1 33 33 LEU CB C 13 41.98088854 0.2 . . . . . . . 33 LEU CB . 52016 1 155 . 1 . 1 33 33 LEU N N 15 123.3609291 0.05 . . . . . . . 33 LEU N . 52016 1 156 . 1 . 1 34 34 GLN H H 1 8.259843761 0.01 . . . . . . . 34 GLN H . 52016 1 157 . 1 . 1 34 34 GLN C C 13 175.6042701 0.05 . . . . . . . 34 GLN C . 52016 1 158 . 1 . 1 34 34 GLN CA C 13 55.32592115 0.2 . . . . . . . 34 GLN CA . 52016 1 159 . 1 . 1 34 34 GLN CB C 13 29.13089641 0.2 . . . . . . . 34 GLN CB . 52016 1 160 . 1 . 1 34 34 GLN N N 15 121.6770715 0.05 . . . . . . . 34 GLN N . 52016 1 161 . 1 . 1 35 35 GLU H H 1 8.273088953 0.01 . . . . . . . 35 GLU H . 52016 1 162 . 1 . 1 35 35 GLU C C 13 176.0416287 0.05 . . . . . . . 35 GLU C . 52016 1 163 . 1 . 1 35 35 GLU CA C 13 55.99765739 0.2 . . . . . . . 35 GLU CA . 52016 1 164 . 1 . 1 35 35 GLU CB C 13 30.50288433 0.2 . . . . . . . 35 GLU CB . 52016 1 165 . 1 . 1 35 35 GLU N N 15 122.4060213 0.05 . . . . . . . 35 GLU N . 52016 1 166 . 1 . 1 36 36 GLU H H 1 8.35361091 0.01 . . . . . . . 36 GLU H . 52016 1 167 . 1 . 1 36 36 GLU C C 13 176.0034528 0.05 . . . . . . . 36 GLU C . 52016 1 168 . 1 . 1 36 36 GLU CA C 13 56.14507008 0.2 . . . . . . . 36 GLU CA . 52016 1 169 . 1 . 1 36 36 GLU CB C 13 29.96591702 0.2 . . . . . . . 36 GLU CB . 52016 1 170 . 1 . 1 36 36 GLU N N 15 122.9509568 0.05 . . . . . . . 36 GLU N . 52016 1 171 . 1 . 1 37 37 LYS H H 1 8.308427998 0.01 . . . . . . . 37 LYS H . 52016 1 172 . 1 . 1 37 37 LYS C C 13 174.2931886 0.05 . . . . . . . 37 LYS C . 52016 1 173 . 1 . 1 37 37 LYS CA C 13 53.90043216 0.2 . . . . . . . 37 LYS CA . 52016 1 174 . 1 . 1 37 37 LYS CB C 13 31.98325185 0.2 . . . . . . . 37 LYS CB . 52016 1 175 . 1 . 1 37 37 LYS N N 15 124.1148489 0.05 . . . . . . . 37 LYS N . 52016 1 176 . 1 . 1 38 38 PRO C C 13 176.9469969 0.05 . . . . . . . 38 PRO C . 52016 1 177 . 1 . 1 38 38 PRO CA C 13 62.83940395 0.2 . . . . . . . 38 PRO CA . 52016 1 178 . 1 . 1 38 38 PRO CB C 13 31.83360251 0.2 . . . . . . . 38 PRO CB . 52016 1 179 . 1 . 1 39 39 SER H H 1 8.394186467 0.01 . . . . . . . 39 SER H . 52016 1 180 . 1 . 1 39 39 SER C C 13 174.7785507 0.05 . . . . . . . 39 SER C . 52016 1 181 . 1 . 1 39 39 SER CA C 13 58.21024126 0.2 . . . . . . . 39 SER CA . 52016 1 182 . 1 . 1 39 39 SER CB C 13 63.57922448 0.2 . . . . . . . 39 SER CB . 52016 1 183 . 1 . 1 39 39 SER N N 15 116.3430374 0.05 . . . . . . . 39 SER N . 52016 1 184 . 1 . 1 40 40 SER H H 1 8.254700942 0.01 . . . . . . . 40 SER H . 52016 1 185 . 1 . 1 40 40 SER C C 13 174.496099 0.05 . . . . . . . 40 SER C . 52016 1 186 . 1 . 1 40 40 SER CA C 13 58.34211729 0.2 . . . . . . . 40 SER CA . 52016 1 187 . 1 . 1 40 40 SER CB C 13 63.43655532 0.2 . . . . . . . 40 SER CB . 52016 1 188 . 1 . 1 40 40 SER N N 15 117.6523197 0.05 . . . . . . . 40 SER N . 52016 1 189 . 1 . 1 41 41 SER H H 1 8.139762947 0.01 . . . . . . . 41 SER H . 52016 1 190 . 1 . 1 41 41 SER C C 13 174.1534667 0.05 . . . . . . . 41 SER C . 52016 1 191 . 1 . 1 41 41 SER CA C 13 58.43860095 0.2 . . . . . . . 41 SER CA . 52016 1 192 . 1 . 1 41 41 SER CB C 13 63.46731654 0.2 . . . . . . . 41 SER CB . 52016 1 193 . 1 . 1 41 41 SER N N 15 117.3516072 0.05 . . . . . . . 41 SER N . 52016 1 194 . 1 . 1 42 42 HIS H H 1 8.223514063 0.01 . . . . . . . 42 HIS H . 52016 1 195 . 1 . 1 42 42 HIS C C 13 174.2184396 0.05 . . . . . . . 42 HIS C . 52016 1 196 . 1 . 1 42 42 HIS CA C 13 55.4135235 0.2 . . . . . . . 42 HIS CA . 52016 1 197 . 1 . 1 42 42 HIS CB C 13 29.18272042 0.2 . . . . . . . 42 HIS CB . 52016 1 198 . 1 . 1 42 42 HIS N N 15 120.542014 0.05 . . . . . . . 42 HIS N . 52016 1 199 . 1 . 1 43 43 LEU H H 1 7.988624704 0.01 . . . . . . . 43 LEU H . 52016 1 200 . 1 . 1 43 43 LEU C C 13 176.9553145 0.05 . . . . . . . 43 LEU C . 52016 1 201 . 1 . 1 43 43 LEU CA C 13 54.9902243 0.2 . . . . . . . 43 LEU CA . 52016 1 202 . 1 . 1 43 43 LEU CB C 13 42.00595734 0.2 . . . . . . . 43 LEU CB . 52016 1 203 . 1 . 1 43 43 LEU N N 15 123.1972747 0.05 . . . . . . . 43 LEU N . 52016 1 204 . 1 . 1 44 44 VAL H H 1 8.016330129 0.01 . . . . . . . 44 VAL H . 52016 1 205 . 1 . 1 44 44 VAL C C 13 175.8037436 0.05 . . . . . . . 44 VAL C . 52016 1 206 . 1 . 1 44 44 VAL CA C 13 61.89273707 0.2 . . . . . . . 44 VAL CA . 52016 1 207 . 1 . 1 44 44 VAL CB C 13 32.55342615 0.2 . . . . . . . 44 VAL CB . 52016 1 208 . 1 . 1 44 44 VAL N N 15 121.5182548 0.05 . . . . . . . 44 VAL N . 52016 1 209 . 1 . 1 45 45 SER H H 1 8.243488621 0.01 . . . . . . . 45 SER H . 52016 1 210 . 1 . 1 45 45 SER C C 13 173.7506139 0.05 . . . . . . . 45 SER C . 52016 1 211 . 1 . 1 45 45 SER CA C 13 58.00172107 0.2 . . . . . . . 45 SER CA . 52016 1 212 . 1 . 1 45 45 SER CB C 13 63.49891228 0.2 . . . . . . . 45 SER CB . 52016 1 213 . 1 . 1 45 45 SER N N 15 120.1369878 0.05 . . . . . . . 45 SER N . 52016 1 214 . 1 . 1 46 46 ARG H H 1 8.252540676 0.01 . . . . . . . 46 ARG H . 52016 1 215 . 1 . 1 46 46 ARG C C 13 173.8792565 0.05 . . . . . . . 46 ARG C . 52016 1 216 . 1 . 1 46 46 ARG CA C 13 53.73517678 0.2 . . . . . . . 46 ARG CA . 52016 1 217 . 1 . 1 46 46 ARG N N 15 124.1616632 0.05 . . . . . . . 46 ARG N . 52016 1 218 . 1 . 1 47 47 PRO C C 13 176.8055835 0.05 . . . . . . . 47 PRO C . 52016 1 219 . 1 . 1 47 47 PRO CA C 13 62.8586023 0.2 . . . . . . . 47 PRO CA . 52016 1 220 . 1 . 1 47 47 PRO CB C 13 31.89005607 0.2 . . . . . . . 47 PRO CB . 52016 1 221 . 1 . 1 48 48 SER H H 1 8.436383982 0.01 . . . . . . . 48 SER H . 52016 1 222 . 1 . 1 48 48 SER C C 13 174.9912331 0.05 . . . . . . . 48 SER C . 52016 1 223 . 1 . 1 48 48 SER CA C 13 58.1642003 0.2 . . . . . . . 48 SER CA . 52016 1 224 . 1 . 1 48 48 SER CB C 13 63.56977378 0.2 . . . . . . . 48 SER CB . 52016 1 225 . 1 . 1 48 48 SER N N 15 116.5099438 0.05 . . . . . . . 48 SER N . 52016 1 226 . 1 . 1 49 49 THR H H 1 8.12539611 0.01 . . . . . . . 49 THR H . 52016 1 227 . 1 . 1 49 49 THR C C 13 174.6217376 0.05 . . . . . . . 49 THR C . 52016 1 228 . 1 . 1 49 49 THR CA C 13 61.8133587 0.2 . . . . . . . 49 THR CA . 52016 1 229 . 1 . 1 49 49 THR CB C 13 69.40969539 0.2 . . . . . . . 49 THR CB . 52016 1 230 . 1 . 1 49 49 THR N N 15 115.609052 0.05 . . . . . . . 49 THR N . 52016 1 231 . 1 . 1 50 50 SER H H 1 8.175925176 0.01 . . . . . . . 50 SER H . 52016 1 232 . 1 . 1 50 50 SER C C 13 174.5948189 0.05 . . . . . . . 50 SER C . 52016 1 233 . 1 . 1 50 50 SER CA C 13 58.46539061 0.2 . . . . . . . 50 SER CA . 52016 1 234 . 1 . 1 50 50 SER CB C 13 63.52221742 0.2 . . . . . . . 50 SER CB . 52016 1 235 . 1 . 1 50 50 SER N N 15 117.567729 0.05 . . . . . . . 50 SER N . 52016 1 236 . 1 . 1 51 51 SER H H 1 8.208744843 0.01 . . . . . . . 51 SER H . 52016 1 237 . 1 . 1 51 51 SER C C 13 174.3965563 0.05 . . . . . . . 51 SER C . 52016 1 238 . 1 . 1 51 51 SER CA C 13 58.50578495 0.2 . . . . . . . 51 SER CA . 52016 1 239 . 1 . 1 51 51 SER CB C 13 63.4386488 0.2 . . . . . . . 51 SER CB . 52016 1 240 . 1 . 1 51 51 SER N N 15 118.0759141 0.05 . . . . . . . 51 SER N . 52016 1 241 . 1 . 1 52 52 ARG H H 1 8.136122106 0.01 . . . . . . . 52 ARG H . 52016 1 242 . 1 . 1 52 52 ARG C C 13 176.0473269 0.05 . . . . . . . 52 ARG C . 52016 1 243 . 1 . 1 52 52 ARG CA C 13 56.07342296 0.2 . . . . . . . 52 ARG CA . 52016 1 244 . 1 . 1 52 52 ARG CB C 13 30.39180282 0.2 . . . . . . . 52 ARG CB . 52016 1 245 . 1 . 1 52 52 ARG N N 15 122.8300939 0.05 . . . . . . . 52 ARG N . 52016 1 246 . 1 . 1 53 53 ARG H H 1 8.177720895 0.01 . . . . . . . 53 ARG H . 52016 1 247 . 1 . 1 53 53 ARG C C 13 176.0535282 0.05 . . . . . . . 53 ARG C . 52016 1 248 . 1 . 1 53 53 ARG CA C 13 55.86930186 0.2 . . . . . . . 53 ARG CA . 52016 1 249 . 1 . 1 53 53 ARG CB C 13 30.51275814 0.2 . . . . . . . 53 ARG CB . 52016 1 250 . 1 . 1 53 53 ARG N N 15 122.312059 0.05 . . . . . . . 53 ARG N . 52016 1 251 . 1 . 1 54 54 ARG H H 1 8.226561115 0.01 . . . . . . . 54 ARG H . 52016 1 252 . 1 . 1 54 54 ARG C C 13 175.7116627 0.05 . . . . . . . 54 ARG C . 52016 1 253 . 1 . 1 54 54 ARG CA C 13 55.84102277 0.2 . . . . . . . 54 ARG CA . 52016 1 254 . 1 . 1 54 54 ARG CB C 13 30.77046465 0.2 . . . . . . . 54 ARG CB . 52016 1 255 . 1 . 1 54 54 ARG N N 15 122.7908799 0.05 . . . . . . . 54 ARG N . 52016 1 256 . 1 . 1 55 55 ALA H H 1 8.259648212 0.01 . . . . . . . 55 ALA H . 52016 1 257 . 1 . 1 55 55 ALA C C 13 177.6684291 0.05 . . . . . . . 55 ALA C . 52016 1 258 . 1 . 1 55 55 ALA CA C 13 52.18063378 0.2 . . . . . . . 55 ALA CA . 52016 1 259 . 1 . 1 55 55 ALA CB C 13 19.05100359 0.2 . . . . . . . 55 ALA CB . 52016 1 260 . 1 . 1 55 55 ALA N N 15 125.6845623 0.05 . . . . . . . 55 ALA N . 52016 1 261 . 1 . 1 56 56 ILE H H 1 8.051396627 0.01 . . . . . . . 56 ILE H . 52016 1 262 . 1 . 1 56 56 ILE C C 13 176.2319465 0.05 . . . . . . . 56 ILE C . 52016 1 263 . 1 . 1 56 56 ILE CA C 13 61.29038912 0.2 . . . . . . . 56 ILE CA . 52016 1 264 . 1 . 1 56 56 ILE CB C 13 38.42981116 0.2 . . . . . . . 56 ILE CB . 52016 1 265 . 1 . 1 56 56 ILE N N 15 120.176036 0.05 . . . . . . . 56 ILE N . 52016 1 266 . 1 . 1 57 57 SER H H 1 8.151865418 0.01 . . . . . . . 57 SER H . 52016 1 267 . 1 . 1 57 57 SER C C 13 174.4944248 0.05 . . . . . . . 57 SER C . 52016 1 268 . 1 . 1 57 57 SER CA C 13 58.1268376 0.2 . . . . . . . 57 SER CA . 52016 1 269 . 1 . 1 57 57 SER CB C 13 63.55633895 0.2 . . . . . . . 57 SER CB . 52016 1 270 . 1 . 1 57 57 SER N N 15 118.6415305 0.05 . . . . . . . 57 SER N . 52016 1 271 . 1 . 1 58 58 GLU H H 1 8.343878171 0.01 . . . . . . . 58 GLU H . 52016 1 272 . 1 . 1 58 58 GLU C C 13 176.5748588 0.05 . . . . . . . 58 GLU C . 52016 1 273 . 1 . 1 58 58 GLU CA C 13 56.89972294 0.2 . . . . . . . 58 GLU CA . 52016 1 274 . 1 . 1 58 58 GLU CB C 13 29.81441508 0.2 . . . . . . . 58 GLU CB . 52016 1 275 . 1 . 1 58 58 GLU N N 15 122.9181909 0.05 . . . . . . . 58 GLU N . 52016 1 276 . 1 . 1 59 59 THR H H 1 7.951986196 0.01 . . . . . . . 59 THR H . 52016 1 277 . 1 . 1 59 59 THR C C 13 174.4810319 0.05 . . . . . . . 59 THR C . 52016 1 278 . 1 . 1 59 59 THR CA C 13 61.61809145 0.2 . . . . . . . 59 THR CA . 52016 1 279 . 1 . 1 59 59 THR CB C 13 69.51870118 0.2 . . . . . . . 59 THR CB . 52016 1 280 . 1 . 1 59 59 THR N N 15 113.5939341 0.05 . . . . . . . 59 THR N . 52016 1 281 . 1 . 1 60 60 GLU H H 1 8.154064022 0.01 . . . . . . . 60 GLU H . 52016 1 282 . 1 . 1 60 60 GLU C C 13 176.3577497 0.05 . . . . . . . 60 GLU C . 52016 1 283 . 1 . 1 60 60 GLU CA C 13 56.51071952 0.2 . . . . . . . 60 GLU CA . 52016 1 284 . 1 . 1 60 60 GLU CB C 13 30.08136809 0.2 . . . . . . . 60 GLU CB . 52016 1 285 . 1 . 1 60 60 GLU N N 15 122.8670092 0.05 . . . . . . . 60 GLU N . 52016 1 286 . 1 . 1 61 61 GLU H H 1 8.289204904 0.01 . . . . . . . 61 GLU H . 52016 1 287 . 1 . 1 61 61 GLU C C 13 176.06196 0.05 . . . . . . . 61 GLU C . 52016 1 288 . 1 . 1 61 61 GLU CA C 13 56.59465799 0.2 . . . . . . . 61 GLU CA . 52016 1 289 . 1 . 1 61 61 GLU CB C 13 29.93107276 0.2 . . . . . . . 61 GLU CB . 52016 1 290 . 1 . 1 61 61 GLU N N 15 121.902207 0.05 . . . . . . . 61 GLU N . 52016 1 291 . 1 . 1 62 62 ASN H H 1 8.353583275 0.01 . . . . . . . 62 ASN H . 52016 1 292 . 1 . 1 62 62 ASN C C 13 175.1999442 0.05 . . . . . . . 62 ASN C . 52016 1 293 . 1 . 1 62 62 ASN CA C 13 53.14513603 0.2 . . . . . . . 62 ASN CA . 52016 1 294 . 1 . 1 62 62 ASN CB C 13 38.69995102 0.2 . . . . . . . 62 ASN CB . 52016 1 295 . 1 . 1 62 62 ASN N N 15 119.6490059 0.05 . . . . . . . 62 ASN N . 52016 1 296 . 1 . 1 63 63 SER H H 1 8.162782917 0.01 . . . . . . . 63 SER H . 52016 1 297 . 1 . 1 63 63 SER C C 13 174.5403933 0.05 . . . . . . . 63 SER C . 52016 1 298 . 1 . 1 63 63 SER CA C 13 58.87008406 0.2 . . . . . . . 63 SER CA . 52016 1 299 . 1 . 1 63 63 SER CB C 13 63.42990076 0.2 . . . . . . . 63 SER CB . 52016 1 300 . 1 . 1 63 63 SER N N 15 116.5252052 0.05 . . . . . . . 63 SER N . 52016 1 301 . 1 . 1 64 64 ASP H H 1 8.317367865 0.01 . . . . . . . 64 ASP H . 52016 1 302 . 1 . 1 64 64 ASP C C 13 176.656119 0.05 . . . . . . . 64 ASP C . 52016 1 303 . 1 . 1 64 64 ASP CA C 13 54.79370282 0.2 . . . . . . . 64 ASP CA . 52016 1 304 . 1 . 1 64 64 ASP CB C 13 40.7332165 0.2 . . . . . . . 64 ASP CB . 52016 1 305 . 1 . 1 64 64 ASP N N 15 122.4210805 0.05 . . . . . . . 64 ASP N . 52016 1 306 . 1 . 1 65 65 GLU H H 1 8.201733898 0.01 . . . . . . . 65 GLU H . 52016 1 307 . 1 . 1 65 65 GLU C C 13 176.953518 0.05 . . . . . . . 65 GLU C . 52016 1 308 . 1 . 1 65 65 GLU CA C 13 57.11622353 0.2 . . . . . . . 65 GLU CA . 52016 1 309 . 1 . 1 65 65 GLU CB C 13 29.88831192 0.2 . . . . . . . 65 GLU CB . 52016 1 310 . 1 . 1 65 65 GLU N N 15 120.8533286 0.05 . . . . . . . 65 GLU N . 52016 1 311 . 1 . 1 66 66 LEU H H 1 8.036305982 0.01 . . . . . . . 66 LEU H . 52016 1 312 . 1 . 1 66 66 LEU C C 13 177.7393304 0.05 . . . . . . . 66 LEU C . 52016 1 313 . 1 . 1 66 66 LEU CA C 13 55.3043771 0.2 . . . . . . . 66 LEU CA . 52016 1 314 . 1 . 1 66 66 LEU CB C 13 41.81408578 0.2 . . . . . . . 66 LEU CB . 52016 1 315 . 1 . 1 66 66 LEU N N 15 121.3561957 0.05 . . . . . . . 66 LEU N . 52016 1 316 . 1 . 1 67 67 SER H H 1 8.007851513 0.01 . . . . . . . 67 SER H . 52016 1 317 . 1 . 1 67 67 SER C C 13 175.4838816 0.05 . . . . . . . 67 SER C . 52016 1 318 . 1 . 1 67 67 SER CA C 13 58.98055654 0.2 . . . . . . . 67 SER CA . 52016 1 319 . 1 . 1 67 67 SER CB C 13 63.52041669 0.2 . . . . . . . 67 SER CB . 52016 1 320 . 1 . 1 67 67 SER N N 15 115.6283177 0.05 . . . . . . . 67 SER N . 52016 1 321 . 1 . 1 68 68 GLY H H 1 8.257263833 0.01 . . . . . . . 68 GLY H . 52016 1 322 . 1 . 1 68 68 GLY C C 13 174.6837278 0.05 . . . . . . . 68 GLY C . 52016 1 323 . 1 . 1 68 68 GLY CA C 13 45.69410509 0.2 . . . . . . . 68 GLY CA . 52016 1 324 . 1 . 1 68 68 GLY N N 15 110.5280632 0.05 . . . . . . . 68 GLY N . 52016 1 325 . 1 . 1 69 69 GLU H H 1 8.081062176 0.01 . . . . . . . 69 GLU H . 52016 1 326 . 1 . 1 69 69 GLU C C 13 177.1961692 0.05 . . . . . . . 69 GLU C . 52016 1 327 . 1 . 1 69 69 GLU CA C 13 57.41749057 0.2 . . . . . . . 69 GLU CA . 52016 1 328 . 1 . 1 69 69 GLU CB C 13 29.71853508 0.2 . . . . . . . 69 GLU CB . 52016 1 329 . 1 . 1 69 69 GLU N N 15 120.9549878 0.05 . . . . . . . 69 GLU N . 52016 1 330 . 1 . 1 70 70 ARG H H 1 8.100678718 0.01 . . . . . . . 70 ARG H . 52016 1 331 . 1 . 1 70 70 ARG C C 13 177.0021939 0.05 . . . . . . . 70 ARG C . 52016 1 332 . 1 . 1 70 70 ARG CA C 13 57.15864644 0.2 . . . . . . . 70 ARG CA . 52016 1 333 . 1 . 1 70 70 ARG CB C 13 30.02064048 0.2 . . . . . . . 70 ARG CB . 52016 1 334 . 1 . 1 70 70 ARG N N 15 120.2652399 0.05 . . . . . . . 70 ARG N . 52016 1 335 . 1 . 1 71 71 GLN H H 1 8.057137783 0.01 . . . . . . . 71 GLN H . 52016 1 336 . 1 . 1 71 71 GLN C C 13 176.363397 0.05 . . . . . . . 71 GLN C . 52016 1 337 . 1 . 1 71 71 GLN CA C 13 56.58720749 0.2 . . . . . . . 71 GLN CA . 52016 1 338 . 1 . 1 71 71 GLN CB C 13 28.68204391 0.2 . . . . . . . 71 GLN CB . 52016 1 339 . 1 . 1 71 71 GLN N N 15 119.4999476 0.05 . . . . . . . 71 GLN N . 52016 1 340 . 1 . 1 72 72 ARG H H 1 8.029445304 0.01 . . . . . . . 72 ARG H . 52016 1 341 . 1 . 1 72 72 ARG C C 13 176.6274115 0.05 . . . . . . . 72 ARG C . 52016 1 342 . 1 . 1 72 72 ARG CA C 13 56.96170201 0.2 . . . . . . . 72 ARG CA . 52016 1 343 . 1 . 1 72 72 ARG CB C 13 30.37323498 0.2 . . . . . . . 72 ARG CB . 52016 1 344 . 1 . 1 72 72 ARG N N 15 121.3385033 0.05 . . . . . . . 72 ARG N . 52016 1 345 . 1 . 1 73 73 LYS H H 1 8.075888947 0.01 . . . . . . . 73 LYS H . 52016 1 346 . 1 . 1 73 73 LYS C C 13 176.5150226 0.05 . . . . . . . 73 LYS C . 52016 1 347 . 1 . 1 73 73 LYS CA C 13 56.6472326 0.2 . . . . . . . 73 LYS CA . 52016 1 348 . 1 . 1 73 73 LYS CB C 13 32.31678048 0.2 . . . . . . . 73 LYS CB . 52016 1 349 . 1 . 1 73 73 LYS N N 15 121.4931137 0.05 . . . . . . . 73 LYS N . 52016 1 350 . 1 . 1 74 74 ARG H H 1 8.064926071 0.01 . . . . . . . 74 ARG H . 52016 1 351 . 1 . 1 74 74 ARG C C 13 176.0075107 0.05 . . . . . . . 74 ARG C . 52016 1 352 . 1 . 1 74 74 ARG CA C 13 56.32133916 0.2 . . . . . . . 74 ARG CA . 52016 1 353 . 1 . 1 74 74 ARG CB C 13 30.51039968 0.2 . . . . . . . 74 ARG CB . 52016 1 354 . 1 . 1 74 74 ARG N N 15 121.5261045 0.05 . . . . . . . 74 ARG N . 52016 1 355 . 1 . 1 75 75 HIS H H 1 8.31311973 0.01 . . . . . . . 75 HIS H . 52016 1 356 . 1 . 1 75 75 HIS C C 13 174.7116285 0.05 . . . . . . . 75 HIS C . 52016 1 357 . 1 . 1 75 75 HIS CA C 13 55.70382269 0.2 . . . . . . . 75 HIS CA . 52016 1 358 . 1 . 1 75 75 HIS CB C 13 29.63771606 0.2 . . . . . . . 75 HIS CB . 52016 1 359 . 1 . 1 75 75 HIS N N 15 120.0406506 0.05 . . . . . . . 75 HIS N . 52016 1 360 . 1 . 1 76 76 LYS H H 1 8.281188059 0.01 . . . . . . . 76 LYS H . 52016 1 361 . 1 . 1 76 76 LYS C C 13 176.5210236 0.05 . . . . . . . 76 LYS C . 52016 1 362 . 1 . 1 76 76 LYS CB C 13 32.64415992 0.2 . . . . . . . 76 LYS CB . 52016 1 363 . 1 . 1 76 76 LYS N N 15 123.6026102 0.05 . . . . . . . 76 LYS N . 52016 1 364 . 1 . 1 77 77 SER H H 1 8.341782763 0.01 . . . . . . . 77 SER H . 52016 1 365 . 1 . 1 77 77 SER C C 13 174.2368232 0.05 . . . . . . . 77 SER C . 52016 1 366 . 1 . 1 77 77 SER CA C 13 58.36400956 0.2 . . . . . . . 77 SER CA . 52016 1 367 . 1 . 1 77 77 SER CB C 13 63.56904485 0.2 . . . . . . . 77 SER CB . 52016 1 368 . 1 . 1 77 77 SER N N 15 116.8830751 0.05 . . . . . . . 77 SER N . 52016 1 369 . 1 . 1 78 78 ASP H H 1 8.187921595 0.01 . . . . . . . 78 ASP H . 52016 1 370 . 1 . 1 78 78 ASP C C 13 176.1254767 0.05 . . . . . . . 78 ASP C . 52016 1 371 . 1 . 1 78 78 ASP CA C 13 54.28635385 0.2 . . . . . . . 78 ASP CA . 52016 1 372 . 1 . 1 78 78 ASP CB C 13 40.78136203 0.2 . . . . . . . 78 ASP CB . 52016 1 373 . 1 . 1 78 78 ASP N N 15 122.3669841 0.05 . . . . . . . 78 ASP N . 52016 1 374 . 1 . 1 79 79 SER H H 1 8.05274732 0.01 . . . . . . . 79 SER H . 52016 1 375 . 1 . 1 79 79 SER C C 13 174.4280566 0.05 . . . . . . . 79 SER C . 52016 1 376 . 1 . 1 79 79 SER CA C 13 58.46973603 0.2 . . . . . . . 79 SER CA . 52016 1 377 . 1 . 1 79 79 SER CB C 13 63.48706922 0.2 . . . . . . . 79 SER CB . 52016 1 378 . 1 . 1 79 79 SER N N 15 115.4600589 0.05 . . . . . . . 79 SER N . 52016 1 379 . 1 . 1 80 80 ILE H H 1 7.986219939 0.01 . . . . . . . 80 ILE H . 52016 1 380 . 1 . 1 80 80 ILE C C 13 176.1859189 0.05 . . . . . . . 80 ILE C . 52016 1 381 . 1 . 1 80 80 ILE CA C 13 61.15856894 0.2 . . . . . . . 80 ILE CA . 52016 1 382 . 1 . 1 80 80 ILE CB C 13 38.46645226 0.2 . . . . . . . 80 ILE CB . 52016 1 383 . 1 . 1 80 80 ILE N N 15 122.38318 0.05 . . . . . . . 80 ILE N . 52016 1 384 . 1 . 1 81 81 SER H H 1 8.206045841 0.01 . . . . . . . 81 SER H . 52016 1 385 . 1 . 1 81 81 SER C C 13 174.2202401 0.05 . . . . . . . 81 SER C . 52016 1 386 . 1 . 1 81 81 SER CA C 13 58.07268089 0.2 . . . . . . . 81 SER CA . 52016 1 387 . 1 . 1 81 81 SER CB C 13 63.39682941 0.2 . . . . . . . 81 SER CB . 52016 1 388 . 1 . 1 81 81 SER N N 15 119.6351645 0.05 . . . . . . . 81 SER N . 52016 1 389 . 1 . 1 82 82 LEU H H 1 8.130739306 0.01 . . . . . . . 82 LEU H . 52016 1 390 . 1 . 1 82 82 LEU C C 13 177.1867773 0.05 . . . . . . . 82 LEU C . 52016 1 391 . 1 . 1 82 82 LEU CA C 13 54.9300503 0.2 . . . . . . . 82 LEU CA . 52016 1 392 . 1 . 1 82 82 LEU CB C 13 42.26579327 0.2 . . . . . . . 82 LEU CB . 52016 1 393 . 1 . 1 82 82 LEU N N 15 124.4575555 0.05 . . . . . . . 82 LEU N . 52016 1 394 . 1 . 1 83 83 SER H H 1 8.174402748 0.01 . . . . . . . 83 SER H . 52016 1 395 . 1 . 1 83 83 SER C C 13 174.0528404 0.05 . . . . . . . 83 SER C . 52016 1 396 . 1 . 1 83 83 SER CA C 13 57.98 0.2 . . . . . . . 83 SER CA . 52016 1 397 . 1 . 1 83 83 SER CB C 13 63.72029128 0.2 . . . . . . . 83 SER CB . 52016 1 398 . 1 . 1 83 83 SER N N 15 116.5863891 0.05 . . . . . . . 83 SER N . 52016 1 399 . 1 . 1 84 84 PHE H H 1 8.226971563 0.01 . . . . . . . 84 PHE H . 52016 1 400 . 1 . 1 84 84 PHE C C 13 175.5215948 0.05 . . . . . . . 84 PHE C . 52016 1 401 . 1 . 1 84 84 PHE CA C 13 58.25 0.2 . . . . . . . 84 PHE CA . 52016 1 402 . 1 . 1 84 84 PHE CB C 13 39.33008677 0.2 . . . . . . . 84 PHE CB . 52016 1 403 . 1 . 1 84 84 PHE N N 15 122.5627856 0.05 . . . . . . . 84 PHE N . 52016 1 404 . 1 . 1 85 85 ASP H H 1 8.111400257 0.01 . . . . . . . 85 ASP H . 52016 1 405 . 1 . 1 85 85 ASP C C 13 176.8143703 0.05 . . . . . . . 85 ASP C . 52016 1 406 . 1 . 1 85 85 ASP CA C 13 54.42918494 0.2 . . . . . . . 85 ASP CA . 52016 1 407 . 1 . 1 85 85 ASP CB C 13 40.78916172 0.2 . . . . . . . 85 ASP CB . 52016 1 408 . 1 . 1 85 85 ASP N N 15 121.5548789 0.05 . . . . . . . 85 ASP N . 52016 1 409 . 1 . 1 86 86 GLU H H 1 8.256947743 0.01 . . . . . . . 86 GLU H . 52016 1 410 . 1 . 1 86 86 GLU C C 13 177.2331705 0.05 . . . . . . . 86 GLU C . 52016 1 411 . 1 . 1 86 86 GLU CA C 13 57.50663755 0.2 . . . . . . . 86 GLU CA . 52016 1 412 . 1 . 1 86 86 GLU CB C 13 29.60565401 0.2 . . . . . . . 86 GLU CB . 52016 1 413 . 1 . 1 86 86 GLU N N 15 122.6516606 0.05 . . . . . . . 86 GLU N . 52016 1 414 . 1 . 1 87 87 SER H H 1 8.213947003 0.01 . . . . . . . 87 SER H . 52016 1 415 . 1 . 1 87 87 SER C C 13 175.2416441 0.05 . . . . . . . 87 SER C . 52016 1 416 . 1 . 1 87 87 SER CA C 13 59.69880034 0.2 . . . . . . . 87 SER CA . 52016 1 417 . 1 . 1 87 87 SER CB C 13 62.93 0.2 . . . . . . . 87 SER CB . 52016 1 418 . 1 . 1 87 87 SER N N 15 116.0668236 0.05 . . . . . . . 87 SER N . 52016 1 419 . 1 . 1 88 88 LEU H H 1 7.673347102 0.01 . . . . . . . 88 LEU H . 52016 1 420 . 1 . 1 88 88 LEU C C 13 177.5030843 0.05 . . . . . . . 88 LEU C . 52016 1 421 . 1 . 1 88 88 LEU CA C 13 55.57203245 0.2 . . . . . . . 88 LEU CA . 52016 1 422 . 1 . 1 88 88 LEU CB C 13 41.73590255 0.2 . . . . . . . 88 LEU CB . 52016 1 423 . 1 . 1 88 88 LEU N N 15 123.0795502 0.05 . . . . . . . 88 LEU N . 52016 1 424 . 1 . 1 89 89 ALA H H 1 7.731100603 0.01 . . . . . . . 89 ALA H . 52016 1 425 . 1 . 1 89 89 ALA C C 13 177.8978788 0.05 . . . . . . . 89 ALA C . 52016 1 426 . 1 . 1 89 89 ALA CA C 13 52.82734735 0.2 . . . . . . . 89 ALA CA . 52016 1 427 . 1 . 1 89 89 ALA CB C 13 18.64360698 0.2 . . . . . . . 89 ALA CB . 52016 1 428 . 1 . 1 89 89 ALA N N 15 122.7788857 0.05 . . . . . . . 89 ALA N . 52016 1 429 . 1 . 1 90 90 LEU H H 1 7.773337562 0.01 . . . . . . . 90 LEU H . 52016 1 430 . 1 . 1 90 90 LEU C C 13 177.3417376 0.05 . . . . . . . 90 LEU C . 52016 1 431 . 1 . 1 90 90 LEU CA C 13 55.26611709 0.2 . . . . . . . 90 LEU CA . 52016 1 432 . 1 . 1 90 90 LEU CB C 13 41.97129247 0.2 . . . . . . . 90 LEU CB . 52016 1 433 . 1 . 1 90 90 LEU N N 15 119.5872843 0.05 . . . . . . . 90 LEU N . 52016 1 434 . 1 . 1 91 91 CYS H H 1 7.980354344 0.01 . . . . . . . 91 CYS H . 52016 1 435 . 1 . 1 91 91 CYS C C 13 174.4468302 0.05 . . . . . . . 91 CYS C . 52016 1 436 . 1 . 1 91 91 CYS CA C 13 58.92495309 0.2 . . . . . . . 91 CYS CA . 52016 1 437 . 1 . 1 91 91 CYS CB C 13 27.38805278 0.2 . . . . . . . 91 CYS CB . 52016 1 438 . 1 . 1 91 91 CYS N N 15 119.5117071 0.05 . . . . . . . 91 CYS N . 52016 1 439 . 1 . 1 92 92 VAL H H 1 7.938411223 0.01 . . . . . . . 92 VAL H . 52016 1 440 . 1 . 1 92 92 VAL C C 13 175.9351064 0.05 . . . . . . . 92 VAL C . 52016 1 441 . 1 . 1 92 92 VAL CA C 13 62.52997351 0.2 . . . . . . . 92 VAL CA . 52016 1 442 . 1 . 1 92 92 VAL CB C 13 32.43278611 0.2 . . . . . . . 92 VAL CB . 52016 1 443 . 1 . 1 92 92 VAL N N 15 122.6381776 0.05 . . . . . . . 92 VAL N . 52016 1 444 . 1 . 1 93 93 ILE H H 1 8.049495906 0.01 . . . . . . . 93 ILE H . 52016 1 445 . 1 . 1 93 93 ILE C C 13 176.0230144 0.05 . . . . . . . 93 ILE C . 52016 1 446 . 1 . 1 93 93 ILE CA C 13 60.97100333 0.2 . . . . . . . 93 ILE CA . 52016 1 447 . 1 . 1 93 93 ILE CB C 13 37.89770962 0.2 . . . . . . . 93 ILE CB . 52016 1 448 . 1 . 1 93 93 ILE N N 15 125.0753374 0.05 . . . . . . . 93 ILE N . 52016 1 449 . 1 . 1 94 94 ARG H H 1 8.226743854 0.01 . . . . . . . 94 ARG H . 52016 1 450 . 1 . 1 94 94 ARG C C 13 175.8413638 0.05 . . . . . . . 94 ARG C . 52016 1 451 . 1 . 1 94 94 ARG CA C 13 55.84230909 0.2 . . . . . . . 94 ARG CA . 52016 1 452 . 1 . 1 94 94 ARG CB C 13 30.78431904 0.2 . . . . . . . 94 ARG CB . 52016 1 453 . 1 . 1 94 94 ARG N N 15 125.6006583 0.05 . . . . . . . 94 ARG N . 52016 1 454 . 1 . 1 95 95 GLU H H 1 8.238927933 0.01 . . . . . . . 95 GLU H . 52016 1 455 . 1 . 1 95 95 GLU C C 13 176.2349402 0.05 . . . . . . . 95 GLU C . 52016 1 456 . 1 . 1 95 95 GLU CA C 13 56.23 0.2 . . . . . . . 95 GLU CA . 52016 1 457 . 1 . 1 95 95 GLU CB C 13 29.92795286 0.2 . . . . . . . 95 GLU CB . 52016 1 458 . 1 . 1 95 95 GLU N N 15 122.4530013 0.05 . . . . . . . 95 GLU N . 52016 1 459 . 1 . 1 96 96 ILE H H 1 8.138936826 0.01 . . . . . . . 96 ILE H . 52016 1 460 . 1 . 1 96 96 ILE C C 13 176.0835646 0.05 . . . . . . . 96 ILE C . 52016 1 461 . 1 . 1 96 96 ILE CA C 13 61.16320864 0.2 . . . . . . . 96 ILE CA . 52016 1 462 . 1 . 1 96 96 ILE CB C 13 38.24703571 0.2 . . . . . . . 96 ILE CB . 52016 1 463 . 1 . 1 96 96 ILE N N 15 122.4223742 0.05 . . . . . . . 96 ILE N . 52016 1 464 . 1 . 1 97 97 CYS H H 1 8.358164172 0.01 . . . . . . . 97 CYS H . 52016 1 465 . 1 . 1 97 97 CYS C C 13 174.3517444 0.05 . . . . . . . 97 CYS C . 52016 1 466 . 1 . 1 97 97 CYS CA C 13 58.52065712 0.2 . . . . . . . 97 CYS CA . 52016 1 467 . 1 . 1 97 97 CYS CB C 13 27.70152375 0.2 . . . . . . . 97 CYS CB . 52016 1 468 . 1 . 1 97 97 CYS N N 15 123.7331124 0.05 . . . . . . . 97 CYS N . 52016 1 469 . 1 . 1 98 98 CYS H H 1 8.359656613 0.01 . . . . . . . 98 CYS H . 52016 1 470 . 1 . 1 98 98 CYS C C 13 174.2383943 0.05 . . . . . . . 98 CYS C . 52016 1 471 . 1 . 1 98 98 CYS CA C 13 58.48897761 0.2 . . . . . . . 98 CYS CA . 52016 1 472 . 1 . 1 98 98 CYS CB C 13 27.78697469 0.2 . . . . . . . 98 CYS CB . 52016 1 473 . 1 . 1 98 98 CYS N N 15 122.3224259 0.05 . . . . . . . 98 CYS N . 52016 1 474 . 1 . 1 99 99 GLU H H 1 8.360992005 0.01 . . . . . . . 99 GLU H . 52016 1 475 . 1 . 1 99 99 GLU C C 13 176.2166944 0.05 . . . . . . . 99 GLU C . 52016 1 476 . 1 . 1 99 99 GLU CA C 13 56.59384511 0.2 . . . . . . . 99 GLU CA . 52016 1 477 . 1 . 1 99 99 GLU CB C 13 29.78590822 0.2 . . . . . . . 99 GLU CB . 52016 1 478 . 1 . 1 99 99 GLU N N 15 123.4927998 0.05 . . . . . . . 99 GLU N . 52016 1 479 . 1 . 1 100 100 ARG H H 1 8.271684578 0.01 . . . . . . . 100 ARG H . 52016 1 480 . 1 . 1 100 100 ARG C C 13 176.1795559 0.05 . . . . . . . 100 ARG C . 52016 1 481 . 1 . 1 100 100 ARG CA C 13 55.95308451 0.2 . . . . . . . 100 ARG CA . 52016 1 482 . 1 . 1 100 100 ARG CB C 13 30.58179672 0.2 . . . . . . . 100 ARG CB . 52016 1 483 . 1 . 1 100 100 ARG N N 15 122.3904636 0.05 . . . . . . . 100 ARG N . 52016 1 484 . 1 . 1 101 101 SER H H 1 8.303935471 0.01 . . . . . . . 101 SER H . 52016 1 485 . 1 . 1 101 101 SER C C 13 174.5990702 0.05 . . . . . . . 101 SER C . 52016 1 486 . 1 . 1 101 101 SER CA C 13 58.07146682 0.2 . . . . . . . 101 SER CA . 52016 1 487 . 1 . 1 101 101 SER CB C 13 63.66368675 0.2 . . . . . . . 101 SER CB . 52016 1 488 . 1 . 1 101 101 SER N N 15 117.3982237 0.05 . . . . . . . 101 SER N . 52016 1 489 . 1 . 1 102 102 SER H H 1 8.326128368 0.01 . . . . . . . 102 SER H . 52016 1 490 . 1 . 1 102 102 SER C C 13 174.5350122 0.05 . . . . . . . 102 SER C . 52016 1 491 . 1 . 1 102 102 SER CA C 13 58.38549598 0.2 . . . . . . . 102 SER CA . 52016 1 492 . 1 . 1 102 102 SER CB C 13 63.6162081 0.2 . . . . . . . 102 SER CB . 52016 1 493 . 1 . 1 102 102 SER N N 15 117.962189 0.05 . . . . . . . 102 SER N . 52016 1 494 . 1 . 1 103 103 SER H H 1 8.240227166 0.01 . . . . . . . 103 SER H . 52016 1 495 . 1 . 1 103 103 SER C C 13 174.6102719 0.05 . . . . . . . 103 SER C . 52016 1 496 . 1 . 1 103 103 SER CA C 13 58.30857375 0.2 . . . . . . . 103 SER CA . 52016 1 497 . 1 . 1 103 103 SER CB C 13 63.55851643 0.2 . . . . . . . 103 SER CB . 52016 1 498 . 1 . 1 103 103 SER N N 15 117.6173393 0.05 . . . . . . . 103 SER N . 52016 1 499 . 1 . 1 104 104 SER H H 1 8.211301115 0.01 . . . . . . . 104 SER H . 52016 1 500 . 1 . 1 104 104 SER C C 13 174.4382744 0.05 . . . . . . . 104 SER C . 52016 1 501 . 1 . 1 104 104 SER CA C 13 58.44771257 0.2 . . . . . . . 104 SER CA . 52016 1 502 . 1 . 1 104 104 SER CB C 13 63.30835945 0.2 . . . . . . . 104 SER CB . 52016 1 503 . 1 . 1 104 104 SER N N 15 117.8485734 0.05 . . . . . . . 104 SER N . 52016 1 504 . 1 . 1 105 105 GLU H H 1 8.226423452 0.01 . . . . . . . 105 GLU H . 52016 1 505 . 1 . 1 105 105 GLU C C 13 176.4948184 0.05 . . . . . . . 105 GLU C . 52016 1 506 . 1 . 1 105 105 GLU CA C 13 56.52081944 0.2 . . . . . . . 105 GLU CA . 52016 1 507 . 1 . 1 105 105 GLU CB C 13 29.90391419 0.2 . . . . . . . 105 GLU CB . 52016 1 508 . 1 . 1 105 105 GLU N N 15 122.2891885 0.05 . . . . . . . 105 GLU N . 52016 1 509 . 1 . 1 106 106 SER H H 1 8.217928375 0.01 . . . . . . . 106 SER H . 52016 1 510 . 1 . 1 106 106 SER C C 13 174.8094702 0.05 . . . . . . . 106 SER C . 52016 1 511 . 1 . 1 106 106 SER CA C 13 58.22680583 0.2 . . . . . . . 106 SER CA . 52016 1 512 . 1 . 1 106 106 SER CB C 13 63.50189534 0.2 . . . . . . . 106 SER CB . 52016 1 513 . 1 . 1 106 106 SER N N 15 116.6024812 0.05 . . . . . . . 106 SER N . 52016 1 514 . 1 . 1 107 107 THR H H 1 8.07147719 0.01 . . . . . . . 107 THR H . 52016 1 515 . 1 . 1 107 107 THR C C 13 174.9692789 0.05 . . . . . . . 107 THR C . 52016 1 516 . 1 . 1 107 107 THR CA C 13 61.77128463 0.2 . . . . . . . 107 THR CA . 52016 1 517 . 1 . 1 107 107 THR CB C 13 69.43429917 0.2 . . . . . . . 107 THR CB . 52016 1 518 . 1 . 1 107 107 THR N N 15 115.393343 0.05 . . . . . . . 107 THR N . 52016 1 519 . 1 . 1 108 108 GLY H H 1 8.217234064 0.01 . . . . . . . 108 GLY H . 52016 1 520 . 1 . 1 108 108 GLY C C 13 173.6580281 0.05 . . . . . . . 108 GLY C . 52016 1 521 . 1 . 1 108 108 GLY CA C 13 44.92074635 0.2 . . . . . . . 108 GLY CA . 52016 1 522 . 1 . 1 108 108 GLY N N 15 110.9027746 0.05 . . . . . . . 108 GLY N . 52016 1 523 . 1 . 1 109 109 THR H H 1 7.989867188 0.01 . . . . . . . 109 THR H . 52016 1 524 . 1 . 1 109 109 THR C C 13 172.6996159 0.05 . . . . . . . 109 THR C . 52016 1 525 . 1 . 1 109 109 THR CA C 13 59.63135919 0.2 . . . . . . . 109 THR CA . 52016 1 526 . 1 . 1 109 109 THR CB C 13 69.48034607 0.2 . . . . . . . 109 THR CB . 52016 1 527 . 1 . 1 109 109 THR N N 15 116.6808468 0.05 . . . . . . . 109 THR N . 52016 1 528 . 1 . 1 110 110 PRO C C 13 176.7207502 0.05 . . . . . . . 110 PRO C . 52016 1 529 . 1 . 1 110 110 PRO CA C 13 62.79801866 0.2 . . . . . . . 110 PRO CA . 52016 1 530 . 1 . 1 110 110 PRO CB C 13 31.85194352 0.2 . . . . . . . 110 PRO CB . 52016 1 531 . 1 . 1 111 111 SER H H 1 8.305849153 0.01 . . . . . . . 111 SER H . 52016 1 532 . 1 . 1 111 111 SER C C 13 173.7149861 0.05 . . . . . . . 111 SER C . 52016 1 533 . 1 . 1 111 111 SER CA C 13 58.21797741 0.2 . . . . . . . 111 SER CA . 52016 1 534 . 1 . 1 111 111 SER CB C 13 63.52230425 0.2 . . . . . . . 111 SER CB . 52016 1 535 . 1 . 1 111 111 SER N N 15 116.439714 0.05 . . . . . . . 111 SER N . 52016 1 536 . 1 . 1 112 112 ASN H H 1 8.327021883 0.01 . . . . . . . 112 ASN H . 52016 1 537 . 1 . 1 112 112 ASN C C 13 173.3310637 0.05 . . . . . . . 112 ASN C . 52016 1 538 . 1 . 1 112 112 ASN CA C 13 50.99600802 0.2 . . . . . . . 112 ASN CA . 52016 1 539 . 1 . 1 112 112 ASN CB C 13 38.67334239 0.2 . . . . . . . 112 ASN CB . 52016 1 540 . 1 . 1 112 112 ASN N N 15 121.1624377 0.05 . . . . . . . 112 ASN N . 52016 1 541 . 1 . 1 113 113 PRO C C 13 176.5451187 0.05 . . . . . . . 113 PRO C . 52016 1 542 . 1 . 1 113 113 PRO CA C 13 63.36004753 0.2 . . . . . . . 113 PRO CA . 52016 1 543 . 1 . 1 113 113 PRO CB C 13 31.88537927 0.2 . . . . . . . 113 PRO CB . 52016 1 544 . 1 . 1 114 114 ASP H H 1 8.098807089 0.01 . . . . . . . 114 ASP H . 52016 1 545 . 1 . 1 114 114 ASP C C 13 176.3456714 0.05 . . . . . . . 114 ASP C . 52016 1 546 . 1 . 1 114 114 ASP CA C 13 54.43123106 0.2 . . . . . . . 114 ASP CA . 52016 1 547 . 1 . 1 114 114 ASP CB C 13 40.41677067 0.2 . . . . . . . 114 ASP CB . 52016 1 548 . 1 . 1 114 114 ASP N N 15 119.3029112 0.05 . . . . . . . 114 ASP N . 52016 1 549 . 1 . 1 115 115 LEU H H 1 7.807332075 0.01 . . . . . . . 115 LEU H . 52016 1 550 . 1 . 1 115 115 LEU C C 13 177.187933 0.05 . . . . . . . 115 LEU C . 52016 1 551 . 1 . 1 115 115 LEU CA C 13 55.24010668 0.2 . . . . . . . 115 LEU CA . 52016 1 552 . 1 . 1 115 115 LEU CB C 13 41.92289498 0.2 . . . . . . . 115 LEU CB . 52016 1 553 . 1 . 1 115 115 LEU N N 15 121.9996712 0.05 . . . . . . . 115 LEU N . 52016 1 554 . 1 . 1 116 116 ASP H H 1 8.077485483 0.01 . . . . . . . 116 ASP H . 52016 1 555 . 1 . 1 116 116 ASP C C 13 175.9856161 0.05 . . . . . . . 116 ASP C . 52016 1 556 . 1 . 1 116 116 ASP CA C 13 54.17301116 0.2 . . . . . . . 116 ASP CA . 52016 1 557 . 1 . 1 116 116 ASP CB C 13 40.92021106 0.2 . . . . . . . 116 ASP CB . 52016 1 558 . 1 . 1 116 116 ASP N N 15 120.7463805 0.05 . . . . . . . 116 ASP N . 52016 1 559 . 1 . 1 117 117 ALA H H 1 8.004831446 0.01 . . . . . . . 117 ALA H . 52016 1 560 . 1 . 1 117 117 ALA C C 13 178.2600932 0.05 . . . . . . . 117 ALA C . 52016 1 561 . 1 . 1 117 117 ALA CA C 13 52.79677992 0.2 . . . . . . . 117 ALA CA . 52016 1 562 . 1 . 1 117 117 ALA CB C 13 18.78141723 0.2 . . . . . . . 117 ALA CB . 52016 1 563 . 1 . 1 117 117 ALA N N 15 124.5190682 0.05 . . . . . . . 117 ALA N . 52016 1 564 . 1 . 1 118 118 GLY H H 1 8.22456133 0.01 . . . . . . . 118 GLY H . 52016 1 565 . 1 . 1 118 118 GLY C C 13 174.1440946 0.05 . . . . . . . 118 GLY C . 52016 1 566 . 1 . 1 118 118 GLY CA C 13 45.177495 0.2 . . . . . . . 118 GLY CA . 52016 1 567 . 1 . 1 118 118 GLY N N 15 107.6407348 0.05 . . . . . . . 118 GLY N . 52016 1 568 . 1 . 1 119 119 VAL H H 1 7.755653585 0.01 . . . . . . . 119 VAL H . 52016 1 569 . 1 . 1 119 119 VAL C C 13 176.2596994 0.05 . . . . . . . 119 VAL C . 52016 1 570 . 1 . 1 119 119 VAL CA C 13 62.15756369 0.2 . . . . . . . 119 VAL CA . 52016 1 571 . 1 . 1 119 119 VAL CB C 13 32.35141376 0.2 . . . . . . . 119 VAL CB . 52016 1 572 . 1 . 1 119 119 VAL N N 15 119.0691759 0.05 . . . . . . . 119 VAL N . 52016 1 573 . 1 . 1 120 120 SER H H 1 8.245072154 0.01 . . . . . . . 120 SER H . 52016 1 574 . 1 . 1 120 120 SER C C 13 174.3486609 0.05 . . . . . . . 120 SER C . 52016 1 575 . 1 . 1 120 120 SER CA C 13 58.17896268 0.2 . . . . . . . 120 SER CA . 52016 1 576 . 1 . 1 120 120 SER CB C 13 63.62138858 0.2 . . . . . . . 120 SER CB . 52016 1 577 . 1 . 1 120 120 SER N N 15 119.267733 0.05 . . . . . . . 120 SER N . 52016 1 578 . 1 . 1 121 121 GLU H H 1 8.259025192 0.01 . . . . . . . 121 GLU H . 52016 1 579 . 1 . 1 121 121 GLU C C 13 175.9839621 0.05 . . . . . . . 121 GLU C . 52016 1 580 . 1 . 1 121 121 GLU CA C 13 56.54438276 0.2 . . . . . . . 121 GLU CA . 52016 1 581 . 1 . 1 121 121 GLU CB C 13 29.77913812 0.2 . . . . . . . 121 GLU CB . 52016 1 582 . 1 . 1 121 121 GLU N N 15 122.7973833 0.05 . . . . . . . 121 GLU N . 52016 1 583 . 1 . 1 122 122 HIS H H 1 8.257470222 0.01 . . . . . . . 122 HIS H . 52016 1 584 . 1 . 1 122 122 HIS C C 13 174.3291013 0.05 . . . . . . . 122 HIS C . 52016 1 585 . 1 . 1 122 122 HIS CA C 13 54.93895649 0.2 . . . . . . . 122 HIS CA . 52016 1 586 . 1 . 1 122 122 HIS CB C 13 28.98867718 0.2 . . . . . . . 122 HIS CB . 52016 1 587 . 1 . 1 122 122 HIS N N 15 118.9231717 0.05 . . . . . . . 122 HIS N . 52016 1 588 . 1 . 1 123 123 SER H H 1 8.194658964 0.01 . . . . . . . 123 SER H . 52016 1 589 . 1 . 1 123 123 SER C C 13 174.8721025 0.05 . . . . . . . 123 SER C . 52016 1 590 . 1 . 1 123 123 SER CA C 13 58.4768403 0.2 . . . . . . . 123 SER CA . 52016 1 591 . 1 . 1 123 123 SER CB C 13 63.62015039 0.2 . . . . . . . 123 SER CB . 52016 1 592 . 1 . 1 123 123 SER N N 15 117.4766117 0.05 . . . . . . . 123 SER N . 52016 1 593 . 1 . 1 124 124 GLY H H 1 8.360654424 0.01 . . . . . . . 124 GLY H . 52016 1 594 . 1 . 1 124 124 GLY C C 13 175.9346315 0.05 . . . . . . . 124 GLY C . 52016 1 595 . 1 . 1 124 124 GLY CA C 13 45.30527603 0.2 . . . . . . . 124 GLY CA . 52016 1 596 . 1 . 1 124 124 GLY N N 15 110.6047065 0.05 . . . . . . . 124 GLY N . 52016 1 597 . 1 . 1 125 125 ASP H H 1 8.002030958 0.01 . . . . . . . 125 ASP H . 52016 1 598 . 1 . 1 125 125 ASP C C 13 173.8221015 0.05 . . . . . . . 125 ASP C . 52016 1 599 . 1 . 1 125 125 ASP CA C 13 54.24795094 0.2 . . . . . . . 125 ASP CA . 52016 1 600 . 1 . 1 125 125 ASP CB C 13 40.58776772 0.2 . . . . . . . 125 ASP CB . 52016 1 601 . 1 . 1 125 125 ASP N N 15 120.2365133 0.05 . . . . . . . 125 ASP N . 52016 1 602 . 1 . 1 126 126 TRP H H 1 7.847462356 0.01 . . . . . . . 126 TRP H . 52016 1 603 . 1 . 1 126 126 TRP C C 13 175.7641683 0.05 . . . . . . . 126 TRP C . 52016 1 604 . 1 . 1 126 126 TRP CA C 13 57.38471789 0.2 . . . . . . . 126 TRP CA . 52016 1 605 . 1 . 1 126 126 TRP CB C 13 29.10503342 0.2 . . . . . . . 126 TRP CB . 52016 1 606 . 1 . 1 126 126 TRP N N 15 121.2021381 0.05 . . . . . . . 126 TRP N . 52016 1 607 . 1 . 1 127 127 LEU H H 1 7.70359203 0.01 . . . . . . . 127 LEU H . 52016 1 608 . 1 . 1 127 127 LEU C C 13 176.3266158 0.05 . . . . . . . 127 LEU C . 52016 1 609 . 1 . 1 127 127 LEU CA C 13 54.67026503 0.2 . . . . . . . 127 LEU CA . 52016 1 610 . 1 . 1 127 127 LEU CB C 13 42.37604569 0.2 . . . . . . . 127 LEU CB . 52016 1 611 . 1 . 1 127 127 LEU N N 15 124.0244156 0.05 . . . . . . . 127 LEU N . 52016 1 612 . 1 . 1 128 128 ASP H H 1 7.947459831 0.01 . . . . . . . 128 ASP H . 52016 1 613 . 1 . 1 128 128 ASP C C 13 176.190639 0.05 . . . . . . . 128 ASP C . 52016 1 614 . 1 . 1 128 128 ASP CA C 13 54.01615199 0.2 . . . . . . . 128 ASP CA . 52016 1 615 . 1 . 1 128 128 ASP CB C 13 40.52501611 0.2 . . . . . . . 128 ASP CB . 52016 1 616 . 1 . 1 128 128 ASP N N 15 121.1015349 0.05 . . . . . . . 128 ASP N . 52016 1 617 . 1 . 1 129 129 GLN H H 1 8.112340497 0.01 . . . . . . . 129 GLN H . 52016 1 618 . 1 . 1 129 129 GLN C C 13 175.7821503 0.05 . . . . . . . 129 GLN C . 52016 1 619 . 1 . 1 129 129 GLN CA C 13 55.91366735 0.2 . . . . . . . 129 GLN CA . 52016 1 620 . 1 . 1 129 129 GLN CB C 13 29.19254527 0.2 . . . . . . . 129 GLN CB . 52016 1 621 . 1 . 1 129 129 GLN N N 15 120.7903056 0.05 . . . . . . . 129 GLN N . 52016 1 622 . 1 . 1 130 130 ASP H H 1 8.238933023 0.01 . . . . . . . 130 ASP H . 52016 1 623 . 1 . 1 130 130 ASP C C 13 176.197379 0.05 . . . . . . . 130 ASP C . 52016 1 624 . 1 . 1 130 130 ASP CA C 13 54.64384561 0.2 . . . . . . . 130 ASP CA . 52016 1 625 . 1 . 1 130 130 ASP CB C 13 40.75117912 0.2 . . . . . . . 130 ASP CB . 52016 1 626 . 1 . 1 130 130 ASP N N 15 120.8734126 0.05 . . . . . . . 130 ASP N . 52016 1 627 . 1 . 1 131 131 SER H H 1 7.96567966 0.01 . . . . . . . 131 SER H . 52016 1 628 . 1 . 1 131 131 SER C C 13 174.4215551 0.05 . . . . . . . 131 SER C . 52016 1 629 . 1 . 1 131 131 SER CA C 13 58.32624073 0.2 . . . . . . . 131 SER CA . 52016 1 630 . 1 . 1 131 131 SER CB C 13 63.66388072 0.2 . . . . . . . 131 SER CB . 52016 1 631 . 1 . 1 131 131 SER N N 15 115.7366296 0.05 . . . . . . . 131 SER N . 52016 1 632 . 1 . 1 132 132 VAL H H 1 7.963333308 0.01 . . . . . . . 132 VAL H . 52016 1 633 . 1 . 1 132 132 VAL C C 13 176.1873388 0.05 . . . . . . . 132 VAL C . 52016 1 634 . 1 . 1 132 132 VAL CA C 13 62.18788055 0.2 . . . . . . . 132 VAL CA . 52016 1 635 . 1 . 1 132 132 VAL CB C 13 32.3377043 0.2 . . . . . . . 132 VAL CB . 52016 1 636 . 1 . 1 132 132 VAL N N 15 121.4608325 0.05 . . . . . . . 132 VAL N . 52016 1 637 . 1 . 1 133 133 SER H H 1 8.195807938 0.01 . . . . . . . 133 SER H . 52016 1 638 . 1 . 1 133 133 SER C C 13 174.2732207 0.05 . . . . . . . 133 SER C . 52016 1 639 . 1 . 1 133 133 SER CA C 13 58.3499196 0.2 . . . . . . . 133 SER CA . 52016 1 640 . 1 . 1 133 133 SER CB C 13 63.6361677 0.2 . . . . . . . 133 SER CB . 52016 1 641 . 1 . 1 133 133 SER N N 15 119.1774954 0.05 . . . . . . . 133 SER N . 52016 1 642 . 1 . 1 134 134 ASP H H 1 8.191429026 0.01 . . . . . . . 134 ASP H . 52016 1 643 . 1 . 1 134 134 ASP C C 13 176.1282405 0.05 . . . . . . . 134 ASP C . 52016 1 644 . 1 . 1 134 134 ASP CA C 13 54.30591749 0.2 . . . . . . . 134 ASP CA . 52016 1 645 . 1 . 1 134 134 ASP CB C 13 40.69297277 0.2 . . . . . . . 134 ASP CB . 52016 1 646 . 1 . 1 134 134 ASP N N 15 122.602501 0.05 . . . . . . . 134 ASP N . 52016 1 647 . 1 . 1 135 135 GLN H H 1 8.059240079 0.01 . . . . . . . 135 GLN H . 52016 1 648 . 1 . 1 135 135 GLN C C 13 175.5187443 0.05 . . . . . . . 135 GLN C . 52016 1 649 . 1 . 1 135 135 GLN CA C 13 55.91863033 0.2 . . . . . . . 135 GLN CA . 52016 1 650 . 1 . 1 135 135 GLN CB C 13 28.91137894 0.2 . . . . . . . 135 GLN CB . 52016 1 651 . 1 . 1 135 135 GLN N N 15 119.9098172 0.05 . . . . . . . 135 GLN N . 52016 1 652 . 1 . 1 136 136 PHE H H 1 8.014438842 0.01 . . . . . . . 136 PHE H . 52016 1 653 . 1 . 1 136 136 PHE C C 13 175.4725985 0.05 . . . . . . . 136 PHE C . 52016 1 654 . 1 . 1 136 136 PHE CA C 13 57.52607825 0.2 . . . . . . . 136 PHE CA . 52016 1 655 . 1 . 1 136 136 PHE CB C 13 39.23712218 0.2 . . . . . . . 136 PHE CB . 52016 1 656 . 1 . 1 136 136 PHE N N 15 120.4407908 0.05 . . . . . . . 136 PHE N . 52016 1 657 . 1 . 1 137 137 SER H H 1 7.953243389 0.01 . . . . . . . 137 SER H . 52016 1 658 . 1 . 1 137 137 SER C C 13 174.0629593 0.05 . . . . . . . 137 SER C . 52016 1 659 . 1 . 1 137 137 SER CA C 13 57.93557305 0.2 . . . . . . . 137 SER CA . 52016 1 660 . 1 . 1 137 137 SER CB C 13 63.6603609 0.2 . . . . . . . 137 SER CB . 52016 1 661 . 1 . 1 137 137 SER N N 15 117.4526703 0.05 . . . . . . . 137 SER N . 52016 1 662 . 1 . 1 138 138 VAL H H 1 7.995131152 0.01 . . . . . . . 138 VAL H . 52016 1 663 . 1 . 1 138 138 VAL C C 13 175.7917738 0.05 . . . . . . . 138 VAL C . 52016 1 664 . 1 . 1 138 138 VAL CA C 13 62.07014205 0.2 . . . . . . . 138 VAL CA . 52016 1 665 . 1 . 1 138 138 VAL CB C 13 32.3629918 0.2 . . . . . . . 138 VAL CB . 52016 1 666 . 1 . 1 138 138 VAL N N 15 121.6501644 0.05 . . . . . . . 138 VAL N . 52016 1 667 . 1 . 1 139 139 GLU H H 1 8.199327203 0.01 . . . . . . . 139 GLU H . 52016 1 668 . 1 . 1 139 139 GLU C C 13 175.7565568 0.05 . . . . . . . 139 GLU C . 52016 1 669 . 1 . 1 139 139 GLU CA C 13 56.25062954 0.2 . . . . . . . 139 GLU CA . 52016 1 670 . 1 . 1 139 139 GLU CB C 13 30.03938489 0.2 . . . . . . . 139 GLU CB . 52016 1 671 . 1 . 1 139 139 GLU N N 15 124.0460601 0.05 . . . . . . . 139 GLU N . 52016 1 672 . 1 . 1 140 140 PHE H H 1 7.987994102 0.01 . . . . . . . 140 PHE H . 52016 1 673 . 1 . 1 140 140 PHE C C 13 175.136978 0.05 . . . . . . . 140 PHE C . 52016 1 674 . 1 . 1 140 140 PHE CA C 13 57.35982233 0.2 . . . . . . . 140 PHE CA . 52016 1 675 . 1 . 1 140 140 PHE CB C 13 39.60365972 0.2 . . . . . . . 140 PHE CB . 52016 1 676 . 1 . 1 140 140 PHE N N 15 120.8561506 0.05 . . . . . . . 140 PHE N . 52016 1 677 . 1 . 1 141 141 GLU H H 1 8.151374366 0.01 . . . . . . . 141 GLU H . 52016 1 678 . 1 . 1 141 141 GLU C C 13 175.7670227 0.05 . . . . . . . 141 GLU C . 52016 1 679 . 1 . 1 141 141 GLU CA C 13 55.98896141 0.2 . . . . . . . 141 GLU CA . 52016 1 680 . 1 . 1 141 141 GLU CB C 13 30.16026843 0.2 . . . . . . . 141 GLU CB . 52016 1 681 . 1 . 1 141 141 GLU N N 15 123.0291414 0.05 . . . . . . . 141 GLU N . 52016 1 682 . 1 . 1 142 142 VAL H H 1 8.095839175 0.01 . . . . . . . 142 VAL H . 52016 1 683 . 1 . 1 142 142 VAL C C 13 175.9776439 0.05 . . . . . . . 142 VAL C . 52016 1 684 . 1 . 1 142 142 VAL CA C 13 62.17882149 0.2 . . . . . . . 142 VAL CA . 52016 1 685 . 1 . 1 142 142 VAL CB C 13 32.56125344 0.2 . . . . . . . 142 VAL CB . 52016 1 686 . 1 . 1 142 142 VAL N N 15 122.0297509 0.05 . . . . . . . 142 VAL N . 52016 1 687 . 1 . 1 143 143 GLU H H 1 8.399414402 0.01 . . . . . . . 143 GLU H . 52016 1 688 . 1 . 1 143 143 GLU C C 13 176.1186195 0.05 . . . . . . . 143 GLU C . 52016 1 689 . 1 . 1 143 143 GLU CA C 13 56.35376417 0.2 . . . . . . . 143 GLU CA . 52016 1 690 . 1 . 1 143 143 GLU CB C 13 30.1508849 0.2 . . . . . . . 143 GLU CB . 52016 1 691 . 1 . 1 143 143 GLU N N 15 125.260992 0.05 . . . . . . . 143 GLU N . 52016 1 692 . 1 . 1 144 144 SER H H 1 8.297619402 0.01 . . . . . . . 144 SER H . 52016 1 693 . 1 . 1 144 144 SER C C 13 174.2776201 0.05 . . . . . . . 144 SER C . 52016 1 694 . 1 . 1 144 144 SER CA C 13 58.00788703 0.2 . . . . . . . 144 SER CA . 52016 1 695 . 1 . 1 144 144 SER CB C 13 63.48864105 0.2 . . . . . . . 144 SER CB . 52016 1 696 . 1 . 1 144 144 SER N N 15 117.7593639 0.05 . . . . . . . 144 SER N . 52016 1 697 . 1 . 1 145 145 LEU H H 1 8.261680357 0.01 . . . . . . . 145 LEU H . 52016 1 698 . 1 . 1 145 145 LEU C C 13 176.9967682 0.05 . . . . . . . 145 LEU C . 52016 1 699 . 1 . 1 145 145 LEU CA C 13 54.94556471 0.2 . . . . . . . 145 LEU CA . 52016 1 700 . 1 . 1 145 145 LEU CB C 13 42.09186973 0.2 . . . . . . . 145 LEU CB . 52016 1 701 . 1 . 1 145 145 LEU N N 15 124.8838138 0.05 . . . . . . . 145 LEU N . 52016 1 702 . 1 . 1 146 146 ASP H H 1 8.21470203 0.01 . . . . . . . 146 ASP H . 52016 1 703 . 1 . 1 146 146 ASP C C 13 176.0804308 0.05 . . . . . . . 146 ASP C . 52016 1 704 . 1 . 1 146 146 ASP CA C 13 54.14049924 0.2 . . . . . . . 146 ASP CA . 52016 1 705 . 1 . 1 146 146 ASP CB C 13 40.83059732 0.2 . . . . . . . 146 ASP CB . 52016 1 706 . 1 . 1 146 146 ASP N N 15 121.3937711 0.05 . . . . . . . 146 ASP N . 52016 1 707 . 1 . 1 147 147 SER H H 1 8.089410526 0.01 . . . . . . . 147 SER H . 52016 1 708 . 1 . 1 147 147 SER C C 13 174.4760674 0.05 . . . . . . . 147 SER C . 52016 1 709 . 1 . 1 147 147 SER CA C 13 58.30617176 0.2 . . . . . . . 147 SER CA . 52016 1 710 . 1 . 1 147 147 SER CB C 13 63.64250938 0.2 . . . . . . . 147 SER CB . 52016 1 711 . 1 . 1 147 147 SER N N 15 116.2661568 0.05 . . . . . . . 147 SER N . 52016 1 712 . 1 . 1 148 148 GLU H H 1 8.243601096 0.01 . . . . . . . 148 GLU H . 52016 1 713 . 1 . 1 148 148 GLU C C 13 175.5709492 0.05 . . . . . . . 148 GLU C . 52016 1 714 . 1 . 1 148 148 GLU CA C 13 56.31859874 0.2 . . . . . . . 148 GLU CA . 52016 1 715 . 1 . 1 148 148 GLU CB C 13 29.81788755 0.2 . . . . . . . 148 GLU CB . 52016 1 716 . 1 . 1 148 148 GLU N N 15 122.6135933 0.05 . . . . . . . 148 GLU N . 52016 1 717 . 1 . 1 149 149 ASP H H 1 8.079226628 0.01 . . . . . . . 149 ASP H . 52016 1 718 . 1 . 1 149 149 ASP C C 13 175.947674 0.05 . . . . . . . 149 ASP C . 52016 1 719 . 1 . 1 149 149 ASP CA C 13 53.82096635 0.2 . . . . . . . 149 ASP CA . 52016 1 720 . 1 . 1 149 149 ASP CB C 13 40.73632263 0.2 . . . . . . . 149 ASP CB . 52016 1 721 . 1 . 1 149 149 ASP N N 15 120.8847074 0.05 . . . . . . . 149 ASP N . 52016 1 722 . 1 . 1 150 150 TYR H H 1 8.041551796 0.01 . . . . . . . 150 TYR H . 52016 1 723 . 1 . 1 150 150 TYR C C 13 175.9122535 0.05 . . . . . . . 150 TYR C . 52016 1 724 . 1 . 1 150 150 TYR CA C 13 57.97422228 0.2 . . . . . . . 150 TYR CA . 52016 1 725 . 1 . 1 150 150 TYR CB C 13 38.1063612 0.2 . . . . . . . 150 TYR CB . 52016 1 726 . 1 . 1 150 150 TYR N N 15 122.2370288 0.05 . . . . . . . 150 TYR N . 52016 1 727 . 1 . 1 151 151 SER H H 1 8.121615157 0.01 . . . . . . . 151 SER H . 52016 1 728 . 1 . 1 151 151 SER C C 13 174.2501339 0.05 . . . . . . . 151 SER C . 52016 1 729 . 1 . 1 151 151 SER CA C 13 58.69713509 0.2 . . . . . . . 151 SER CA . 52016 1 730 . 1 . 1 151 151 SER CB C 13 63.44029729 0.2 . . . . . . . 151 SER CB . 52016 1 731 . 1 . 1 151 151 SER N N 15 117.5316496 0.05 . . . . . . . 151 SER N . 52016 1 732 . 1 . 1 152 152 LEU H H 1 7.969126221 0.01 . . . . . . . 152 LEU H . 52016 1 733 . 1 . 1 152 152 LEU C C 13 177.3299093 0.05 . . . . . . . 152 LEU C . 52016 1 734 . 1 . 1 152 152 LEU CA C 13 55.00249101 0.2 . . . . . . . 152 LEU CA . 52016 1 735 . 1 . 1 152 152 LEU CB C 13 41.9563603 0.2 . . . . . . . 152 LEU CB . 52016 1 736 . 1 . 1 152 152 LEU N N 15 123.658801 0.05 . . . . . . . 152 LEU N . 52016 1 737 . 1 . 1 153 153 SER H H 1 8.073310444 0.01 . . . . . . . 153 SER H . 52016 1 738 . 1 . 1 153 153 SER C C 13 174.4606153 0.05 . . . . . . . 153 SER C . 52016 1 739 . 1 . 1 153 153 SER CA C 13 58.15849582 0.2 . . . . . . . 153 SER CA . 52016 1 740 . 1 . 1 153 153 SER CB C 13 63.62142799 0.2 . . . . . . . 153 SER CB . 52016 1 741 . 1 . 1 153 153 SER N N 15 116.5899436 0.05 . . . . . . . 153 SER N . 52016 1 742 . 1 . 1 154 154 GLU H H 1 8.323540197 0.01 . . . . . . . 154 GLU H . 52016 1 743 . 1 . 1 154 154 GLU C C 13 176.4369472 0.05 . . . . . . . 154 GLU C . 52016 1 744 . 1 . 1 154 154 GLU CA C 13 56.44195469 0.2 . . . . . . . 154 GLU CA . 52016 1 745 . 1 . 1 154 154 GLU CB C 13 29.96571047 0.2 . . . . . . . 154 GLU CB . 52016 1 746 . 1 . 1 154 154 GLU N N 15 122.9764693 0.05 . . . . . . . 154 GLU N . 52016 1 747 . 1 . 1 155 155 GLU H H 1 8.272171199 0.01 . . . . . . . 155 GLU H . 52016 1 748 . 1 . 1 155 155 GLU C C 13 176.9880036 0.05 . . . . . . . 155 GLU C . 52016 1 749 . 1 . 1 155 155 GLU CA C 13 56.57747586 0.2 . . . . . . . 155 GLU CA . 52016 1 750 . 1 . 1 155 155 GLU CB C 13 29.81665831 0.2 . . . . . . . 155 GLU CB . 52016 1 751 . 1 . 1 155 155 GLU N N 15 121.7976216 0.05 . . . . . . . 155 GLU N . 52016 1 752 . 1 . 1 156 156 GLY H H 1 8.354951017 0.01 . . . . . . . 156 GLY H . 52016 1 753 . 1 . 1 156 156 GLY C C 13 173.9736764 0.05 . . . . . . . 156 GLY C . 52016 1 754 . 1 . 1 156 156 GLY CA C 13 45.15854408 0.2 . . . . . . . 156 GLY CA . 52016 1 755 . 1 . 1 156 156 GLY N N 15 110.2570446 0.05 . . . . . . . 156 GLY N . 52016 1 756 . 1 . 1 157 157 GLN H H 1 8.023873406 0.01 . . . . . . . 157 GLN H . 52016 1 757 . 1 . 1 157 157 GLN C C 13 175.7089543 0.05 . . . . . . . 157 GLN C . 52016 1 758 . 1 . 1 157 157 GLN CA C 13 55.3972885 0.2 . . . . . . . 157 GLN CA . 52016 1 759 . 1 . 1 157 157 GLN CB C 13 29.43839314 0.2 . . . . . . . 157 GLN CB . 52016 1 760 . 1 . 1 157 157 GLN N N 15 119.5337465 0.05 . . . . . . . 157 GLN N . 52016 1 761 . 1 . 1 158 158 GLU H H 1 8.439353057 0.01 . . . . . . . 158 GLU H . 52016 1 762 . 1 . 1 158 158 GLU C C 13 176.1374899 0.05 . . . . . . . 158 GLU C . 52016 1 763 . 1 . 1 158 158 GLU CA C 13 56.29529938 0.2 . . . . . . . 158 GLU CA . 52016 1 764 . 1 . 1 158 158 GLU CB C 13 29.78430091 0.2 . . . . . . . 158 GLU CB . 52016 1 765 . 1 . 1 158 158 GLU N N 15 122.5502921 0.05 . . . . . . . 158 GLU N . 52016 1 766 . 1 . 1 159 159 LEU H H 1 8.253074958 0.01 . . . . . . . 159 LEU H . 52016 1 767 . 1 . 1 159 159 LEU C C 13 177.1261642 0.05 . . . . . . . 159 LEU C . 52016 1 768 . 1 . 1 159 159 LEU CA C 13 54.76637815 0.2 . . . . . . . 159 LEU CA . 52016 1 769 . 1 . 1 159 159 LEU CB C 13 42.13365239 0.2 . . . . . . . 159 LEU CB . 52016 1 770 . 1 . 1 159 159 LEU N N 15 124.0638186 0.05 . . . . . . . 159 LEU N . 52016 1 771 . 1 . 1 160 160 SER H H 1 8.293238859 0.01 . . . . . . . 160 SER H . 52016 1 772 . 1 . 1 160 160 SER C C 13 174.1326574 0.05 . . . . . . . 160 SER C . 52016 1 773 . 1 . 1 160 160 SER CA C 13 57.84522912 0.2 . . . . . . . 160 SER CA . 52016 1 774 . 1 . 1 160 160 SER CB C 13 63.90188089 0.2 . . . . . . . 160 SER CB . 52016 1 775 . 1 . 1 160 160 SER N N 15 117.2339549 0.05 . . . . . . . 160 SER N . 52016 1 776 . 1 . 1 161 161 ASP H H 1 8.32978062 0.01 . . . . . . . 161 ASP H . 52016 1 777 . 1 . 1 161 161 ASP C C 13 176.2048929 0.05 . . . . . . . 161 ASP C . 52016 1 778 . 1 . 1 161 161 ASP CA C 13 54.24415983 0.2 . . . . . . . 161 ASP CA . 52016 1 779 . 1 . 1 161 161 ASP CB C 13 40.89081047 0.2 . . . . . . . 161 ASP CB . 52016 1 780 . 1 . 1 161 161 ASP N N 15 123.1022351 0.05 . . . . . . . 161 ASP N . 52016 1 781 . 1 . 1 162 162 GLU H H 1 8.206196457 0.01 . . . . . . . 162 GLU H . 52016 1 782 . 1 . 1 162 162 GLU C C 13 176.1280898 0.05 . . . . . . . 162 GLU C . 52016 1 783 . 1 . 1 162 162 GLU CA C 13 56.56007243 0.2 . . . . . . . 162 GLU CA . 52016 1 784 . 1 . 1 162 162 GLU CB C 13 29.85111921 0.2 . . . . . . . 162 GLU CB . 52016 1 785 . 1 . 1 162 162 GLU N N 15 120.7294315 0.05 . . . . . . . 162 GLU N . 52016 1 786 . 1 . 1 163 163 ASP H H 1 8.194035326 0.01 . . . . . . . 163 ASP H . 52016 1 787 . 1 . 1 163 163 ASP C C 13 175.883189 0.05 . . . . . . . 163 ASP C . 52016 1 788 . 1 . 1 163 163 ASP CA C 13 54.26645063 0.2 . . . . . . . 163 ASP CA . 52016 1 789 . 1 . 1 163 163 ASP CB C 13 40.90931128 0.2 . . . . . . . 163 ASP CB . 52016 1 790 . 1 . 1 163 163 ASP N N 15 121.2799588 0.05 . . . . . . . 163 ASP N . 52016 1 791 . 1 . 1 164 164 ASP H H 1 8.104001488 0.01 . . . . . . . 164 ASP H . 52016 1 792 . 1 . 1 164 164 ASP C C 13 176.27821 0.05 . . . . . . . 164 ASP C . 52016 1 793 . 1 . 1 164 164 ASP CA C 13 54.41174482 0.2 . . . . . . . 164 ASP CA . 52016 1 794 . 1 . 1 164 164 ASP CB C 13 40.85815573 0.2 . . . . . . . 164 ASP CB . 52016 1 795 . 1 . 1 164 164 ASP N N 15 121.2131279 0.05 . . . . . . . 164 ASP N . 52016 1 796 . 1 . 1 165 165 GLU H H 1 8.168865589 0.01 . . . . . . . 165 GLU H . 52016 1 797 . 1 . 1 165 165 GLU C C 13 176.2812908 0.05 . . . . . . . 165 GLU C . 52016 1 798 . 1 . 1 165 165 GLU CA C 13 56.53008086 0.2 . . . . . . . 165 GLU CA . 52016 1 799 . 1 . 1 165 165 GLU CB C 13 29.82512043 0.2 . . . . . . . 165 GLU CB . 52016 1 800 . 1 . 1 165 165 GLU N N 15 121.3190195 0.05 . . . . . . . 165 GLU N . 52016 1 801 . 1 . 1 166 166 VAL H H 1 7.935264165 0.01 . . . . . . . 166 VAL H . 52016 1 802 . 1 . 1 166 166 VAL C C 13 175.8652527 0.05 . . . . . . . 166 VAL C . 52016 1 803 . 1 . 1 166 166 VAL CA C 13 62.30080896 0.2 . . . . . . . 166 VAL CA . 52016 1 804 . 1 . 1 166 166 VAL CB C 13 32.1823905 0.2 . . . . . . . 166 VAL CB . 52016 1 805 . 1 . 1 166 166 VAL N N 15 121.2697139 0.05 . . . . . . . 166 VAL N . 52016 1 806 . 1 . 1 167 167 TYR H H 1 8.079057542 0.01 . . . . . . . 167 TYR H . 52016 1 807 . 1 . 1 167 167 TYR C C 13 175.3615256 0.05 . . . . . . . 167 TYR C . 52016 1 808 . 1 . 1 167 167 TYR CA C 13 57.82275364 0.2 . . . . . . . 167 TYR CA . 52016 1 809 . 1 . 1 167 167 TYR CB C 13 38.49518366 0.2 . . . . . . . 167 TYR CB . 52016 1 810 . 1 . 1 167 167 TYR N N 15 124.3385167 0.05 . . . . . . . 167 TYR N . 52016 1 811 . 1 . 1 168 168 GLN H H 1 8.014237795 0.01 . . . . . . . 168 GLN H . 52016 1 812 . 1 . 1 168 168 GLN C C 13 175.1319312 0.05 . . . . . . . 168 GLN C . 52016 1 813 . 1 . 1 168 168 GLN CA C 13 55.18252304 0.2 . . . . . . . 168 GLN CA . 52016 1 814 . 1 . 1 168 168 GLN CB C 13 29.37916757 0.2 . . . . . . . 168 GLN CB . 52016 1 815 . 1 . 1 168 168 GLN N N 15 122.7820242 0.05 . . . . . . . 168 GLN N . 52016 1 816 . 1 . 1 169 169 VAL H H 1 8.021717229 0.01 . . . . . . . 169 VAL H . 52016 1 817 . 1 . 1 169 169 VAL C C 13 176.1064279 0.05 . . . . . . . 169 VAL C . 52016 1 818 . 1 . 1 169 169 VAL CA C 13 62.2582482 0.2 . . . . . . . 169 VAL CA . 52016 1 819 . 1 . 1 169 169 VAL CB C 13 32.47455392 0.2 . . . . . . . 169 VAL CB . 52016 1 820 . 1 . 1 169 169 VAL N N 15 122.1657514 0.05 . . . . . . . 169 VAL N . 52016 1 821 . 1 . 1 170 170 THR H H 1 8.149544808 0.01 . . . . . . . 170 THR H . 52016 1 822 . 1 . 1 170 170 THR C C 13 173.8236163 0.05 . . . . . . . 170 THR C . 52016 1 823 . 1 . 1 170 170 THR CA C 13 62.14561899 0.2 . . . . . . . 170 THR CA . 52016 1 824 . 1 . 1 170 170 THR CB C 13 69.57496783 0.2 . . . . . . . 170 THR CB . 52016 1 825 . 1 . 1 170 170 THR N N 15 120.0488245 0.05 . . . . . . . 170 THR N . 52016 1 826 . 1 . 1 171 171 VAL H H 1 8.060415064 0.01 . . . . . . . 171 VAL H . 52016 1 827 . 1 . 1 171 171 VAL C C 13 175.3709336 0.05 . . . . . . . 171 VAL C . 52016 1 828 . 1 . 1 171 171 VAL CA C 13 61.90551546 0.2 . . . . . . . 171 VAL CA . 52016 1 829 . 1 . 1 171 171 VAL CB C 13 32.52067246 0.2 . . . . . . . 171 VAL CB . 52016 1 830 . 1 . 1 171 171 VAL N N 15 124.0054282 0.05 . . . . . . . 171 VAL N . 52016 1 831 . 1 . 1 172 172 TYR H H 1 8.235169493 0.01 . . . . . . . 172 TYR H . 52016 1 832 . 1 . 1 172 172 TYR C C 13 175.2333345 0.05 . . . . . . . 172 TYR C . 52016 1 833 . 1 . 1 172 172 TYR CA C 13 57.91108071 0.2 . . . . . . . 172 TYR CA . 52016 1 834 . 1 . 1 172 172 TYR CB C 13 38.63372802 0.2 . . . . . . . 172 TYR CB . 52016 1 835 . 1 . 1 172 172 TYR N N 15 125.4674975 0.05 . . . . . . . 172 TYR N . 52016 1 836 . 1 . 1 173 173 GLN H H 1 8.112876044 0.01 . . . . . . . 173 GLN H . 52016 1 837 . 1 . 1 173 173 GLN C C 13 174.7045637 0.05 . . . . . . . 173 GLN C . 52016 1 838 . 1 . 1 173 173 GLN CA C 13 54.75111289 0.2 . . . . . . . 173 GLN CA . 52016 1 839 . 1 . 1 173 173 GLN CB C 13 29.52464788 0.2 . . . . . . . 173 GLN CB . 52016 1 840 . 1 . 1 173 173 GLN N N 15 124.0117289 0.05 . . . . . . . 173 GLN N . 52016 1 841 . 1 . 1 174 174 ALA H H 1 8.203823075 0.01 . . . . . . . 174 ALA H . 52016 1 842 . 1 . 1 174 174 ALA C C 13 178.0652543 0.05 . . . . . . . 174 ALA C . 52016 1 843 . 1 . 1 174 174 ALA CA C 13 52.57479544 0.2 . . . . . . . 174 ALA CA . 52016 1 844 . 1 . 1 174 174 ALA CB C 13 18.86645155 0.2 . . . . . . . 174 ALA CB . 52016 1 845 . 1 . 1 174 174 ALA N N 15 126.2883241 0.05 . . . . . . . 174 ALA N . 52016 1 846 . 1 . 1 175 175 GLY H H 1 8.270541692 0.01 . . . . . . . 175 GLY H . 52016 1 847 . 1 . 1 175 175 GLY C C 13 174.0400645 0.05 . . . . . . . 175 GLY C . 52016 1 848 . 1 . 1 175 175 GLY CA C 13 44.86410808 0.2 . . . . . . . 175 GLY CA . 52016 1 849 . 1 . 1 175 175 GLY N N 15 108.5949085 0.05 . . . . . . . 175 GLY N . 52016 1 850 . 1 . 1 176 176 GLU H H 1 8.150576177 0.01 . . . . . . . 176 GLU H . 52016 1 851 . 1 . 1 176 176 GLU C C 13 176.4897393 0.05 . . . . . . . 176 GLU C . 52016 1 852 . 1 . 1 176 176 GLU CA C 13 56.4221972 0.2 . . . . . . . 176 GLU CA . 52016 1 853 . 1 . 1 176 176 GLU CB C 13 30.07516737 0.2 . . . . . . . 176 GLU CB . 52016 1 854 . 1 . 1 176 176 GLU N N 15 120.412354 0.05 . . . . . . . 176 GLU N . 52016 1 855 . 1 . 1 177 177 SER H H 1 8.273184088 0.01 . . . . . . . 177 SER H . 52016 1 856 . 1 . 1 177 177 SER C C 13 174.0817392 0.05 . . . . . . . 177 SER C . 52016 1 857 . 1 . 1 177 177 SER CA C 13 58.02502906 0.2 . . . . . . . 177 SER CA . 52016 1 858 . 1 . 1 177 177 SER CB C 13 63.71212839 0.2 . . . . . . . 177 SER CB . 52016 1 859 . 1 . 1 177 177 SER N N 15 116.2474997 0.05 . . . . . . . 177 SER N . 52016 1 860 . 1 . 1 178 178 ASP H H 1 8.27243476 0.01 . . . . . . . 178 ASP H . 52016 1 861 . 1 . 1 178 178 ASP C C 13 176.3423043 0.05 . . . . . . . 178 ASP C . 52016 1 862 . 1 . 1 178 178 ASP CA C 13 54.32100097 0.2 . . . . . . . 178 ASP CA . 52016 1 863 . 1 . 1 178 178 ASP CB C 13 40.69393442 0.2 . . . . . . . 178 ASP CB . 52016 1 864 . 1 . 1 178 178 ASP N N 15 122.5773555 0.05 . . . . . . . 178 ASP N . 52016 1 865 . 1 . 1 179 179 THR H H 1 7.944653558 0.01 . . . . . . . 179 THR H . 52016 1 866 . 1 . 1 179 179 THR C C 13 174.2867014 0.05 . . . . . . . 179 THR C . 52016 1 867 . 1 . 1 179 179 THR CA C 13 61.7858651 0.2 . . . . . . . 179 THR CA . 52016 1 868 . 1 . 1 179 179 THR CB C 13 69.46532913 0.2 . . . . . . . 179 THR CB . 52016 1 869 . 1 . 1 179 179 THR N N 15 113.5889778 0.05 . . . . . . . 179 THR N . 52016 1 870 . 1 . 1 180 180 ASP H H 1 8.158348104 0.01 . . . . . . . 180 ASP H . 52016 1 871 . 1 . 1 180 180 ASP C C 13 175.8836194 0.05 . . . . . . . 180 ASP C . 52016 1 872 . 1 . 1 180 180 ASP CA C 13 54.43193955 0.2 . . . . . . . 180 ASP CA . 52016 1 873 . 1 . 1 180 180 ASP CB C 13 40.83201631 0.2 . . . . . . . 180 ASP CB . 52016 1 874 . 1 . 1 180 180 ASP N N 15 122.8399028 0.05 . . . . . . . 180 ASP N . 52016 1 875 . 1 . 1 181 181 SER H H 1 7.973158016 0.01 . . . . . . . 181 SER H . 52016 1 876 . 1 . 1 181 181 SER C C 13 173.7836414 0.05 . . . . . . . 181 SER C . 52016 1 877 . 1 . 1 181 181 SER CA C 13 57.79887963 0.2 . . . . . . . 181 SER CA . 52016 1 878 . 1 . 1 181 181 SER CB C 13 63.6336715 0.2 . . . . . . . 181 SER CB . 52016 1 879 . 1 . 1 181 181 SER N N 15 115.7761111 0.05 . . . . . . . 181 SER N . 52016 1 880 . 1 . 1 182 182 PHE H H 1 8.111415455 0.01 . . . . . . . 182 PHE H . 52016 1 881 . 1 . 1 182 182 PHE C C 13 175.1350647 0.05 . . . . . . . 182 PHE C . 52016 1 882 . 1 . 1 182 182 PHE CA C 13 57.41125952 0.2 . . . . . . . 182 PHE CA . 52016 1 883 . 1 . 1 182 182 PHE CB C 13 39.3572764 0.2 . . . . . . . 182 PHE CB . 52016 1 884 . 1 . 1 182 182 PHE N N 15 122.3084881 0.05 . . . . . . . 182 PHE N . 52016 1 885 . 1 . 1 183 183 GLU H H 1 8.064266739 0.01 . . . . . . . 183 GLU H . 52016 1 886 . 1 . 1 183 183 GLU C C 13 174.8906508 0.05 . . . . . . . 183 GLU C . 52016 1 887 . 1 . 1 183 183 GLU CA C 13 55.96016478 0.2 . . . . . . . 183 GLU CA . 52016 1 888 . 1 . 1 183 183 GLU CB C 13 30.43921626 0.2 . . . . . . . 183 GLU CB . 52016 1 889 . 1 . 1 183 183 GLU N N 15 123.2278148 0.05 . . . . . . . 183 GLU N . 52016 1 890 . 1 . 1 184 184 GLU H H 1 7.844678765 0.01 . . . . . . . 184 GLU H . 52016 1 891 . 1 . 1 184 184 GLU CA C 13 57.88092789 0.2 . . . . . . . 184 GLU CA . 52016 1 892 . 1 . 1 184 184 GLU N N 15 127.2794023 0.05 . . . . . . . 184 GLU N . 52016 1 stop_ save_