data_50254 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50254 _Entry.Title ; hnRNPA2 1-189 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-05-01 _Entry.Accession_date 2020-05-01 _Entry.Last_release_date 2020-05-01 _Entry.Original_release_date 2020-05-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Veronica Ryan . . . . 50254 2 Mandar Naik . . . . 50254 3 Nicolas Fawzi . . . . 50254 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50254 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 523 50254 '15N chemical shifts' 164 50254 '1H chemical shifts' 164 50254 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-10-16 2020-05-01 update BMRB 'update entry citation' 50254 1 . . 2020-08-20 2020-05-01 original author 'original release' 50254 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50255 'hnRNPA2 1-189 310K' 50254 BMRB 50257 'hnRNPA2 1-189 bound to rA2RE11' 50254 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50254 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32870271 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Weak binding to the A2RE RNA rigidifies hnRNPA2 RRMs and reduces liquid-liquid phase separation and aggregation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 48 _Citation.Journal_issue 18 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _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 10542 _Citation.Page_last 10554 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Veronica Ryan . . . . 50254 1 2 Scott Watters . . . . 50254 1 3 Joshua Amaya . . . . 50254 1 4 Balabhadra Khatiwada . . . . 50254 1 5 Vincenzo Vendetti . . . . 50254 1 6 Mandar Naik . . . . 50254 1 7 Nicolas Fawzi . . . . 50254 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50254 _Assembly.ID 1 _Assembly.Name 'hnRNPA2 1-189' _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 'hnRNPA2 1-189' 1 $entity_1 . . yes native no no . . . 50254 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50254 _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 ; MEREKEQFRKLFIGGLSFET TEESLRNYYEQWGKLTDCVV MRDPASKRSRGFGFVTFSSM AEVDAAMAARPHSIDGRVVE PKRAVAREESGKPGAHVTVK KLFVGGIKEDTEEHHLRDYF EEYGKIDTIEIITDRQSGKK RGFGFVTFDDHDPVDKIVLQ KYHTINGHNAEVRKALSRQE MQEVQSSRS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 189 _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 . MET . 50254 1 2 . GLU . 50254 1 3 . ARG . 50254 1 4 . GLU . 50254 1 5 . LYS . 50254 1 6 . GLU . 50254 1 7 . GLN . 50254 1 8 . PHE . 50254 1 9 . ARG . 50254 1 10 . LYS . 50254 1 11 . LEU . 50254 1 12 . PHE . 50254 1 13 . ILE . 50254 1 14 . GLY . 50254 1 15 . GLY . 50254 1 16 . LEU . 50254 1 17 . SER . 50254 1 18 . PHE . 50254 1 19 . GLU . 50254 1 20 . THR . 50254 1 21 . THR . 50254 1 22 . GLU . 50254 1 23 . GLU . 50254 1 24 . SER . 50254 1 25 . LEU . 50254 1 26 . ARG . 50254 1 27 . ASN . 50254 1 28 . TYR . 50254 1 29 . TYR . 50254 1 30 . GLU . 50254 1 31 . GLN . 50254 1 32 . TRP . 50254 1 33 . GLY . 50254 1 34 . LYS . 50254 1 35 . LEU . 50254 1 36 . THR . 50254 1 37 . ASP . 50254 1 38 . CYS . 50254 1 39 . VAL . 50254 1 40 . VAL . 50254 1 41 . MET . 50254 1 42 . ARG . 50254 1 43 . ASP . 50254 1 44 . PRO . 50254 1 45 . ALA . 50254 1 46 . SER . 50254 1 47 . LYS . 50254 1 48 . ARG . 50254 1 49 . SER . 50254 1 50 . ARG . 50254 1 51 . GLY . 50254 1 52 . PHE . 50254 1 53 . GLY . 50254 1 54 . PHE . 50254 1 55 . VAL . 50254 1 56 . THR . 50254 1 57 . PHE . 50254 1 58 . SER . 50254 1 59 . SER . 50254 1 60 . MET . 50254 1 61 . ALA . 50254 1 62 . GLU . 50254 1 63 . VAL . 50254 1 64 . ASP . 50254 1 65 . ALA . 50254 1 66 . ALA . 50254 1 67 . MET . 50254 1 68 . ALA . 50254 1 69 . ALA . 50254 1 70 . ARG . 50254 1 71 . PRO . 50254 1 72 . HIS . 50254 1 73 . SER . 50254 1 74 . ILE . 50254 1 75 . ASP . 50254 1 76 . GLY . 50254 1 77 . ARG . 50254 1 78 . VAL . 50254 1 79 . VAL . 50254 1 80 . GLU . 50254 1 81 . PRO . 50254 1 82 . LYS . 50254 1 83 . ARG . 50254 1 84 . ALA . 50254 1 85 . VAL . 50254 1 86 . ALA . 50254 1 87 . ARG . 50254 1 88 . GLU . 50254 1 89 . GLU . 50254 1 90 . SER . 50254 1 91 . GLY . 50254 1 92 . LYS . 50254 1 93 . PRO . 50254 1 94 . GLY . 50254 1 95 . ALA . 50254 1 96 . HIS . 50254 1 97 . VAL . 50254 1 98 . THR . 50254 1 99 . VAL . 50254 1 100 . LYS . 50254 1 101 . LYS . 50254 1 102 . LEU . 50254 1 103 . PHE . 50254 1 104 . VAL . 50254 1 105 . GLY . 50254 1 106 . GLY . 50254 1 107 . ILE . 50254 1 108 . LYS . 50254 1 109 . GLU . 50254 1 110 . ASP . 50254 1 111 . THR . 50254 1 112 . GLU . 50254 1 113 . GLU . 50254 1 114 . HIS . 50254 1 115 . HIS . 50254 1 116 . LEU . 50254 1 117 . ARG . 50254 1 118 . ASP . 50254 1 119 . TYR . 50254 1 120 . PHE . 50254 1 121 . GLU . 50254 1 122 . GLU . 50254 1 123 . TYR . 50254 1 124 . GLY . 50254 1 125 . LYS . 50254 1 126 . ILE . 50254 1 127 . ASP . 50254 1 128 . THR . 50254 1 129 . ILE . 50254 1 130 . GLU . 50254 1 131 . ILE . 50254 1 132 . ILE . 50254 1 133 . THR . 50254 1 134 . ASP . 50254 1 135 . ARG . 50254 1 136 . GLN . 50254 1 137 . SER . 50254 1 138 . GLY . 50254 1 139 . LYS . 50254 1 140 . LYS . 50254 1 141 . ARG . 50254 1 142 . GLY . 50254 1 143 . PHE . 50254 1 144 . GLY . 50254 1 145 . PHE . 50254 1 146 . VAL . 50254 1 147 . THR . 50254 1 148 . PHE . 50254 1 149 . ASP . 50254 1 150 . ASP . 50254 1 151 . HIS . 50254 1 152 . ASP . 50254 1 153 . PRO . 50254 1 154 . VAL . 50254 1 155 . ASP . 50254 1 156 . LYS . 50254 1 157 . ILE . 50254 1 158 . VAL . 50254 1 159 . LEU . 50254 1 160 . GLN . 50254 1 161 . LYS . 50254 1 162 . TYR . 50254 1 163 . HIS . 50254 1 164 . THR . 50254 1 165 . ILE . 50254 1 166 . ASN . 50254 1 167 . GLY . 50254 1 168 . HIS . 50254 1 169 . ASN . 50254 1 170 . ALA . 50254 1 171 . GLU . 50254 1 172 . VAL . 50254 1 173 . ARG . 50254 1 174 . LYS . 50254 1 175 . ALA . 50254 1 176 . LEU . 50254 1 177 . SER . 50254 1 178 . ARG . 50254 1 179 . GLN . 50254 1 180 . GLU . 50254 1 181 . MET . 50254 1 182 . GLN . 50254 1 183 . GLU . 50254 1 184 . VAL . 50254 1 185 . GLN . 50254 1 186 . SER . 50254 1 187 . SER . 50254 1 188 . ARG . 50254 1 189 . SER . 50254 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 50254 1 . GLU 2 2 50254 1 . ARG 3 3 50254 1 . GLU 4 4 50254 1 . LYS 5 5 50254 1 . GLU 6 6 50254 1 . GLN 7 7 50254 1 . PHE 8 8 50254 1 . ARG 9 9 50254 1 . LYS 10 10 50254 1 . LEU 11 11 50254 1 . PHE 12 12 50254 1 . ILE 13 13 50254 1 . GLY 14 14 50254 1 . GLY 15 15 50254 1 . LEU 16 16 50254 1 . SER 17 17 50254 1 . PHE 18 18 50254 1 . GLU 19 19 50254 1 . THR 20 20 50254 1 . THR 21 21 50254 1 . GLU 22 22 50254 1 . GLU 23 23 50254 1 . SER 24 24 50254 1 . LEU 25 25 50254 1 . ARG 26 26 50254 1 . ASN 27 27 50254 1 . TYR 28 28 50254 1 . TYR 29 29 50254 1 . GLU 30 30 50254 1 . GLN 31 31 50254 1 . TRP 32 32 50254 1 . GLY 33 33 50254 1 . LYS 34 34 50254 1 . LEU 35 35 50254 1 . THR 36 36 50254 1 . ASP 37 37 50254 1 . CYS 38 38 50254 1 . VAL 39 39 50254 1 . VAL 40 40 50254 1 . MET 41 41 50254 1 . ARG 42 42 50254 1 . ASP 43 43 50254 1 . PRO 44 44 50254 1 . ALA 45 45 50254 1 . SER 46 46 50254 1 . LYS 47 47 50254 1 . ARG 48 48 50254 1 . SER 49 49 50254 1 . ARG 50 50 50254 1 . GLY 51 51 50254 1 . PHE 52 52 50254 1 . GLY 53 53 50254 1 . PHE 54 54 50254 1 . VAL 55 55 50254 1 . THR 56 56 50254 1 . PHE 57 57 50254 1 . SER 58 58 50254 1 . SER 59 59 50254 1 . MET 60 60 50254 1 . ALA 61 61 50254 1 . GLU 62 62 50254 1 . VAL 63 63 50254 1 . ASP 64 64 50254 1 . ALA 65 65 50254 1 . ALA 66 66 50254 1 . MET 67 67 50254 1 . ALA 68 68 50254 1 . ALA 69 69 50254 1 . ARG 70 70 50254 1 . PRO 71 71 50254 1 . HIS 72 72 50254 1 . SER 73 73 50254 1 . ILE 74 74 50254 1 . ASP 75 75 50254 1 . GLY 76 76 50254 1 . ARG 77 77 50254 1 . VAL 78 78 50254 1 . VAL 79 79 50254 1 . GLU 80 80 50254 1 . PRO 81 81 50254 1 . LYS 82 82 50254 1 . ARG 83 83 50254 1 . ALA 84 84 50254 1 . VAL 85 85 50254 1 . ALA 86 86 50254 1 . ARG 87 87 50254 1 . GLU 88 88 50254 1 . GLU 89 89 50254 1 . SER 90 90 50254 1 . GLY 91 91 50254 1 . LYS 92 92 50254 1 . PRO 93 93 50254 1 . GLY 94 94 50254 1 . ALA 95 95 50254 1 . HIS 96 96 50254 1 . VAL 97 97 50254 1 . THR 98 98 50254 1 . VAL 99 99 50254 1 . LYS 100 100 50254 1 . LYS 101 101 50254 1 . LEU 102 102 50254 1 . PHE 103 103 50254 1 . VAL 104 104 50254 1 . GLY 105 105 50254 1 . GLY 106 106 50254 1 . ILE 107 107 50254 1 . LYS 108 108 50254 1 . GLU 109 109 50254 1 . ASP 110 110 50254 1 . THR 111 111 50254 1 . GLU 112 112 50254 1 . GLU 113 113 50254 1 . HIS 114 114 50254 1 . HIS 115 115 50254 1 . LEU 116 116 50254 1 . ARG 117 117 50254 1 . ASP 118 118 50254 1 . TYR 119 119 50254 1 . PHE 120 120 50254 1 . GLU 121 121 50254 1 . GLU 122 122 50254 1 . TYR 123 123 50254 1 . GLY 124 124 50254 1 . LYS 125 125 50254 1 . ILE 126 126 50254 1 . ASP 127 127 50254 1 . THR 128 128 50254 1 . ILE 129 129 50254 1 . GLU 130 130 50254 1 . ILE 131 131 50254 1 . ILE 132 132 50254 1 . THR 133 133 50254 1 . ASP 134 134 50254 1 . ARG 135 135 50254 1 . GLN 136 136 50254 1 . SER 137 137 50254 1 . GLY 138 138 50254 1 . LYS 139 139 50254 1 . LYS 140 140 50254 1 . ARG 141 141 50254 1 . GLY 142 142 50254 1 . PHE 143 143 50254 1 . GLY 144 144 50254 1 . PHE 145 145 50254 1 . VAL 146 146 50254 1 . THR 147 147 50254 1 . PHE 148 148 50254 1 . ASP 149 149 50254 1 . ASP 150 150 50254 1 . HIS 151 151 50254 1 . ASP 152 152 50254 1 . PRO 153 153 50254 1 . VAL 154 154 50254 1 . ASP 155 155 50254 1 . LYS 156 156 50254 1 . ILE 157 157 50254 1 . VAL 158 158 50254 1 . LEU 159 159 50254 1 . GLN 160 160 50254 1 . LYS 161 161 50254 1 . TYR 162 162 50254 1 . HIS 163 163 50254 1 . THR 164 164 50254 1 . ILE 165 165 50254 1 . ASN 166 166 50254 1 . GLY 167 167 50254 1 . HIS 168 168 50254 1 . ASN 169 169 50254 1 . ALA 170 170 50254 1 . GLU 171 171 50254 1 . VAL 172 172 50254 1 . ARG 173 173 50254 1 . LYS 174 174 50254 1 . ALA 175 175 50254 1 . LEU 176 176 50254 1 . SER 177 177 50254 1 . ARG 178 178 50254 1 . GLN 179 179 50254 1 . GLU 180 180 50254 1 . MET 181 181 50254 1 . GLN 182 182 50254 1 . GLU 183 183 50254 1 . VAL 184 184 50254 1 . GLN 185 185 50254 1 . SER 186 186 50254 1 . SER 187 187 50254 1 . ARG 188 188 50254 1 . SER 189 189 50254 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 50254 _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 . . . . . . . . . . . . . 50254 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 50254 _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 . . . plasmid . . pJ411 . . . 50254 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50254 _Sample.ID 1 _Sample.Name 'sample 1' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'hnRNPA2 1-189' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 600 . . uM . . . . 50254 1 2 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 50254 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 50254 1 4 NaPi 'natural abundance' . . . . . . 20 . . mM . . . . 50254 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 50254 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'conditions 1' _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 pH 6.8 . pH 50254 1 pressure 1 . atm 50254 1 temperature 298 . K 50254 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50254 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 50254 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50254 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 50254 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 50254 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'spectrometer 1' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 50254 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50254 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50254 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50254 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50254 1 5 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50254 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50254 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 50254 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'reference 1' _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 na indirect . . . . . . 50254 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 50254 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect . . . . . . 50254 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 50254 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Assigned shifts' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50254 1 2 '3D CBCA(CO)NH' . . . 50254 1 3 '3D HNCO' . . . 50254 1 4 '3D HNCACB' . . . 50254 1 5 '3D HNCACO' . . . 50254 1 6 '3D HNCA' . . . 50254 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50254 1 2 $software_2 . . 50254 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 5 5 LYS C C 13 179.697 0.00 . 1 . . . . . 5 LYS C . 50254 1 2 . 1 . 1 5 5 LYS CA C 13 58.463 0.00 . 1 . . . . . 5 LYS CA . 50254 1 3 . 1 . 1 5 5 LYS CB C 13 30.377 0.00 . 1 . . . . . 5 LYS CB . 50254 1 4 . 1 . 1 6 6 GLU H H 1 9.800 0.01 . 1 . . . . . 6 GLU H . 50254 1 5 . 1 . 1 6 6 GLU C C 13 177.993 0.04 . 1 . . . . . 6 GLU C . 50254 1 6 . 1 . 1 6 6 GLU CA C 13 59.801 0.04 . 1 . . . . . 6 GLU CA . 50254 1 7 . 1 . 1 6 6 GLU CB C 13 29.869 0.02 . 1 . . . . . 6 GLU CB . 50254 1 8 . 1 . 1 6 6 GLU N N 15 129.457 0.06 . 1 . . . . . 6 GLU N . 50254 1 9 . 1 . 1 7 7 GLN H H 1 8.599 0.00 . 1 . . . . . 7 GLN H . 50254 1 10 . 1 . 1 7 7 GLN C C 13 177.064 0.03 . 1 . . . . . 7 GLN C . 50254 1 11 . 1 . 1 7 7 GLN CA C 13 58.239 0.11 . 1 . . . . . 7 GLN CA . 50254 1 12 . 1 . 1 7 7 GLN CB C 13 27.793 0.10 . 1 . . . . . 7 GLN CB . 50254 1 13 . 1 . 1 7 7 GLN N N 15 116.026 0.02 . 1 . . . . . 7 GLN N . 50254 1 14 . 1 . 1 8 8 PHE H H 1 7.623 0.01 . 1 . . . . . 8 PHE H . 50254 1 15 . 1 . 1 8 8 PHE C C 13 175.700 0.02 . 1 . . . . . 8 PHE C . 50254 1 16 . 1 . 1 8 8 PHE CA C 13 58.746 0.06 . 1 . . . . . 8 PHE CA . 50254 1 17 . 1 . 1 8 8 PHE CB C 13 38.968 0.01 . 1 . . . . . 8 PHE CB . 50254 1 18 . 1 . 1 8 8 PHE N N 15 116.542 0.02 . 1 . . . . . 8 PHE N . 50254 1 19 . 1 . 1 9 9 ARG H H 1 7.827 0.00 . 1 . . . . . 9 ARG H . 50254 1 20 . 1 . 1 9 9 ARG C C 13 173.402 0.01 . 1 . . . . . 9 ARG C . 50254 1 21 . 1 . 1 9 9 ARG CA C 13 56.067 0.15 . 1 . . . . . 9 ARG CA . 50254 1 22 . 1 . 1 9 9 ARG CB C 13 31.549 0.15 . 1 . . . . . 9 ARG CB . 50254 1 23 . 1 . 1 9 9 ARG N N 15 117.177 0.02 . 1 . . . . . 9 ARG N . 50254 1 24 . 1 . 1 10 10 LYS H H 1 7.062 0.00 . 1 . . . . . 10 LYS H . 50254 1 25 . 1 . 1 10 10 LYS C C 13 175.525 0.01 . 1 . . . . . 10 LYS C . 50254 1 26 . 1 . 1 10 10 LYS CA C 13 55.575 0.08 . 1 . . . . . 10 LYS CA . 50254 1 27 . 1 . 1 10 10 LYS CB C 13 36.105 0.03 . 1 . . . . . 10 LYS CB . 50254 1 28 . 1 . 1 10 10 LYS N N 15 120.832 0.05 . 1 . . . . . 10 LYS N . 50254 1 29 . 1 . 1 11 11 LEU H H 1 9.552 0.00 . 1 . . . . . 11 LEU H . 50254 1 30 . 1 . 1 11 11 LEU C C 13 176.271 0.05 . 1 . . . . . 11 LEU C . 50254 1 31 . 1 . 1 11 11 LEU CA C 13 53.549 0.11 . 1 . . . . . 11 LEU CA . 50254 1 32 . 1 . 1 11 11 LEU CB C 13 46.010 0.12 . 1 . . . . . 11 LEU CB . 50254 1 33 . 1 . 1 11 11 LEU N N 15 126.112 0.05 . 1 . . . . . 11 LEU N . 50254 1 34 . 1 . 1 12 12 PHE H H 1 9.235 0.00 . 1 . . . . . 12 PHE H . 50254 1 35 . 1 . 1 12 12 PHE C C 13 174.358 0.01 . 1 . . . . . 12 PHE C . 50254 1 36 . 1 . 1 12 12 PHE CA C 13 57.478 0.06 . 1 . . . . . 12 PHE CA . 50254 1 37 . 1 . 1 12 12 PHE CB C 13 40.396 0.02 . 1 . . . . . 12 PHE CB . 50254 1 38 . 1 . 1 12 12 PHE N N 15 123.782 0.04 . 1 . . . . . 12 PHE N . 50254 1 39 . 1 . 1 13 13 ILE H H 1 8.669 0.00 . 1 . . . . . 13 ILE H . 50254 1 40 . 1 . 1 13 13 ILE C C 13 174.380 0.03 . 1 . . . . . 13 ILE C . 50254 1 41 . 1 . 1 13 13 ILE CA C 13 59.606 0.04 . 1 . . . . . 13 ILE CA . 50254 1 42 . 1 . 1 13 13 ILE CB C 13 37.516 0.06 . 1 . . . . . 13 ILE CB . 50254 1 43 . 1 . 1 13 13 ILE N N 15 126.345 0.03 . 1 . . . . . 13 ILE N . 50254 1 44 . 1 . 1 14 14 GLY H H 1 7.913 0.01 . 1 . . . . . 14 GLY H . 50254 1 45 . 1 . 1 14 14 GLY C C 13 174.417 0.01 . 1 . . . . . 14 GLY C . 50254 1 46 . 1 . 1 14 14 GLY CA C 13 43.692 0.05 . 1 . . . . . 14 GLY CA . 50254 1 47 . 1 . 1 14 14 GLY N N 15 112.674 0.01 . 1 . . . . . 14 GLY N . 50254 1 48 . 1 . 1 15 15 GLY H H 1 8.617 0.00 . 1 . . . . . 15 GLY H . 50254 1 49 . 1 . 1 15 15 GLY C C 13 175.619 0.01 . 1 . . . . . 15 GLY C . 50254 1 50 . 1 . 1 15 15 GLY CA C 13 46.441 0.11 . 1 . . . . . 15 GLY CA . 50254 1 51 . 1 . 1 15 15 GLY N N 15 107.657 0.02 . 1 . . . . . 15 GLY N . 50254 1 52 . 1 . 1 16 16 LEU H H 1 7.556 0.00 . 1 . . . . . 16 LEU H . 50254 1 53 . 1 . 1 16 16 LEU C C 13 179.076 0.01 . 1 . . . . . 16 LEU C . 50254 1 54 . 1 . 1 16 16 LEU CA C 13 54.256 0.08 . 1 . . . . . 16 LEU CA . 50254 1 55 . 1 . 1 16 16 LEU CB C 13 43.329 0.17 . 1 . . . . . 16 LEU CB . 50254 1 56 . 1 . 1 16 16 LEU N N 15 115.656 0.02 . 1 . . . . . 16 LEU N . 50254 1 57 . 1 . 1 17 17 SER H H 1 9.126 0.00 . 1 . . . . . 17 SER H . 50254 1 58 . 1 . 1 17 17 SER C C 13 177.835 0.07 . 1 . . . . . 17 SER C . 50254 1 59 . 1 . 1 17 17 SER CA C 13 57.725 0.09 . 1 . . . . . 17 SER CA . 50254 1 60 . 1 . 1 17 17 SER CB C 13 62.945 0.02 . 1 . . . . . 17 SER CB . 50254 1 61 . 1 . 1 17 17 SER N N 15 115.013 0.03 . 1 . . . . . 17 SER N . 50254 1 62 . 1 . 1 18 18 PHE H H 1 9.006 0.01 . 1 . . . . . 18 PHE H . 50254 1 63 . 1 . 1 18 18 PHE C C 13 175.761 0.01 . 1 . . . . . 18 PHE C . 50254 1 64 . 1 . 1 18 18 PHE CA C 13 60.036 0.07 . 1 . . . . . 18 PHE CA . 50254 1 65 . 1 . 1 18 18 PHE CB C 13 37.616 0.05 . 1 . . . . . 18 PHE CB . 50254 1 66 . 1 . 1 18 18 PHE N N 15 128.047 0.04 . 1 . . . . . 18 PHE N . 50254 1 67 . 1 . 1 19 19 GLU H H 1 8.274 0.00 . 1 . . . . . 19 GLU H . 50254 1 68 . 1 . 1 19 19 GLU C C 13 177.392 0.01 . 1 . . . . . 19 GLU C . 50254 1 69 . 1 . 1 19 19 GLU CA C 13 56.425 0.12 . 1 . . . . . 19 GLU CA . 50254 1 70 . 1 . 1 19 19 GLU CB C 13 29.966 0.03 . 1 . . . . . 19 GLU CB . 50254 1 71 . 1 . 1 19 19 GLU N N 15 115.828 0.04 . 1 . . . . . 19 GLU N . 50254 1 72 . 1 . 1 20 20 THR H H 1 7.363 0.00 . 1 . . . . . 20 THR H . 50254 1 73 . 1 . 1 20 20 THR C C 13 174.559 0.00 . 1 . . . . . 20 THR C . 50254 1 74 . 1 . 1 20 20 THR CA C 13 64.891 0.12 . 1 . . . . . 20 THR CA . 50254 1 75 . 1 . 1 20 20 THR CB C 13 68.516 0.07 . 1 . . . . . 20 THR CB . 50254 1 76 . 1 . 1 20 20 THR N N 15 118.543 0.02 . 1 . . . . . 20 THR N . 50254 1 77 . 1 . 1 21 21 THR H H 1 8.093 0.00 . 1 . . . . . 21 THR H . 50254 1 78 . 1 . 1 21 21 THR C C 13 174.253 0.01 . 1 . . . . . 21 THR C . 50254 1 79 . 1 . 1 21 21 THR CA C 13 59.720 0.11 . 1 . . . . . 21 THR CA . 50254 1 80 . 1 . 1 21 21 THR CB C 13 72.587 0.06 . 1 . . . . . 21 THR CB . 50254 1 81 . 1 . 1 21 21 THR N N 15 119.197 0.04 . 1 . . . . . 21 THR N . 50254 1 82 . 1 . 1 22 22 GLU H H 1 9.879 0.00 . 1 . . . . . 22 GLU H . 50254 1 83 . 1 . 1 22 22 GLU C C 13 178.144 0.03 . 1 . . . . . 22 GLU C . 50254 1 84 . 1 . 1 22 22 GLU CA C 13 61.547 0.05 . 1 . . . . . 22 GLU CA . 50254 1 85 . 1 . 1 22 22 GLU CB C 13 28.660 0.04 . 1 . . . . . 22 GLU CB . 50254 1 86 . 1 . 1 22 22 GLU N N 15 120.891 0.01 . 1 . . . . . 22 GLU N . 50254 1 87 . 1 . 1 23 23 GLU H H 1 8.272 0.00 . 1 . . . . . 23 GLU H . 50254 1 88 . 1 . 1 23 23 GLU C C 13 178.253 0.03 . 1 . . . . . 23 GLU C . 50254 1 89 . 1 . 1 23 23 GLU CA C 13 60.130 0.17 . 1 . . . . . 23 GLU CA . 50254 1 90 . 1 . 1 23 23 GLU CB C 13 29.375 0.02 . 1 . . . . . 23 GLU CB . 50254 1 91 . 1 . 1 23 23 GLU N N 15 117.971 0.01 . 1 . . . . . 23 GLU N . 50254 1 92 . 1 . 1 24 24 SER H H 1 7.813 0.00 . 1 . . . . . 24 SER H . 50254 1 93 . 1 . 1 24 24 SER C C 13 177.738 0.01 . 1 . . . . . 24 SER C . 50254 1 94 . 1 . 1 24 24 SER CA C 13 61.078 0.06 . 1 . . . . . 24 SER CA . 50254 1 95 . 1 . 1 24 24 SER CB C 13 62.730 0.04 . 1 . . . . . 24 SER CB . 50254 1 96 . 1 . 1 24 24 SER N N 15 116.580 0.01 . 1 . . . . . 24 SER N . 50254 1 97 . 1 . 1 25 25 LEU H H 1 8.279 0.00 . 1 . . . . . 25 LEU H . 50254 1 98 . 1 . 1 25 25 LEU C C 13 177.697 0.01 . 1 . . . . . 25 LEU C . 50254 1 99 . 1 . 1 25 25 LEU CA C 13 58.462 0.04 . 1 . . . . . 25 LEU CA . 50254 1 100 . 1 . 1 25 25 LEU CB C 13 43.237 0.07 . 1 . . . . . 25 LEU CB . 50254 1 101 . 1 . 1 25 25 LEU N N 15 124.144 0.07 . 1 . . . . . 25 LEU N . 50254 1 102 . 1 . 1 26 26 ARG H H 1 8.366 0.00 . 1 . . . . . 26 ARG H . 50254 1 103 . 1 . 1 26 26 ARG C C 13 177.622 0.03 . 1 . . . . . 26 ARG C . 50254 1 104 . 1 . 1 26 26 ARG CA C 13 59.403 0.04 . 1 . . . . . 26 ARG CA . 50254 1 105 . 1 . 1 26 26 ARG CB C 13 30.414 0.07 . 1 . . . . . 26 ARG CB . 50254 1 106 . 1 . 1 26 26 ARG N N 15 119.772 0.01 . 1 . . . . . 26 ARG N . 50254 1 107 . 1 . 1 27 27 ASN H H 1 8.227 0.00 . 1 . . . . . 27 ASN H . 50254 1 108 . 1 . 1 27 27 ASN C C 13 177.222 0.03 . 1 . . . . . 27 ASN C . 50254 1 109 . 1 . 1 27 27 ASN CA C 13 55.731 0.06 . 1 . . . . . 27 ASN CA . 50254 1 110 . 1 . 1 27 27 ASN CB C 13 38.561 0.03 . 1 . . . . . 27 ASN CB . 50254 1 111 . 1 . 1 27 27 ASN N N 15 114.872 0.04 . 1 . . . . . 27 ASN N . 50254 1 112 . 1 . 1 28 28 TYR H H 1 7.697 0.00 . 1 . . . . . 28 TYR H . 50254 1 113 . 1 . 1 28 28 TYR C C 13 177.966 0.02 . 1 . . . . . 28 TYR C . 50254 1 114 . 1 . 1 28 28 TYR CA C 13 62.411 0.08 . 1 . . . . . 28 TYR CA . 50254 1 115 . 1 . 1 28 28 TYR CB C 13 38.996 0.04 . 1 . . . . . 28 TYR CB . 50254 1 116 . 1 . 1 28 28 TYR N N 15 117.450 0.01 . 1 . . . . . 28 TYR N . 50254 1 117 . 1 . 1 29 29 TYR H H 1 8.257 0.01 . 1 . . . . . 29 TYR H . 50254 1 118 . 1 . 1 29 29 TYR C C 13 177.434 0.02 . 1 . . . . . 29 TYR C . 50254 1 119 . 1 . 1 29 29 TYR CA C 13 64.557 0.24 . 1 . . . . . 29 TYR CA . 50254 1 120 . 1 . 1 29 29 TYR CB C 13 38.324 0.02 . 1 . . . . . 29 TYR CB . 50254 1 121 . 1 . 1 29 29 TYR N N 15 116.134 0.05 . 1 . . . . . 29 TYR N . 50254 1 122 . 1 . 1 30 30 GLU H H 1 8.446 0.01 . 1 . . . . . 30 GLU H . 50254 1 123 . 1 . 1 30 30 GLU C C 13 177.514 0.01 . 1 . . . . . 30 GLU C . 50254 1 124 . 1 . 1 30 30 GLU CA C 13 58.084 0.15 . 1 . . . . . 30 GLU CA . 50254 1 125 . 1 . 1 30 30 GLU CB C 13 28.521 0.07 . 1 . . . . . 30 GLU CB . 50254 1 126 . 1 . 1 30 30 GLU N N 15 117.627 0.05 . 1 . . . . . 30 GLU N . 50254 1 127 . 1 . 1 31 31 GLN H H 1 6.922 0.00 . 1 . . . . . 31 GLN H . 50254 1 128 . 1 . 1 31 31 GLN C C 13 177.112 0.03 . 1 . . . . . 31 GLN C . 50254 1 129 . 1 . 1 31 31 GLN CA C 13 58.374 0.05 . 1 . . . . . 31 GLN CA . 50254 1 130 . 1 . 1 31 31 GLN CB C 13 28.964 0.07 . 1 . . . . . 31 GLN CB . 50254 1 131 . 1 . 1 31 31 GLN N N 15 117.070 0.02 . 1 . . . . . 31 GLN N . 50254 1 132 . 1 . 1 32 32 TRP H H 1 7.616 0.00 . 1 . . . . . 32 TRP H . 50254 1 133 . 1 . 1 32 32 TRP C C 13 174.368 0.01 . 1 . . . . . 32 TRP C . 50254 1 134 . 1 . 1 32 32 TRP CA C 13 60.908 0.22 . 1 . . . . . 32 TRP CA . 50254 1 135 . 1 . 1 32 32 TRP CB C 13 29.403 0.05 . 1 . . . . . 32 TRP CB . 50254 1 136 . 1 . 1 32 32 TRP N N 15 116.075 0.06 . 1 . . . . . 32 TRP N . 50254 1 137 . 1 . 1 33 33 GLY H H 1 7.321 0.01 . 1 . . . . . 33 GLY H . 50254 1 138 . 1 . 1 33 33 GLY C C 13 170.744 0.00 . 1 . . . . . 33 GLY C . 50254 1 139 . 1 . 1 33 33 GLY CA C 13 45.606 0.08 . 1 . . . . . 33 GLY CA . 50254 1 140 . 1 . 1 33 33 GLY N N 15 105.295 0.03 . 1 . . . . . 33 GLY N . 50254 1 141 . 1 . 1 34 34 LYS H H 1 8.330 0.01 . 1 . . . . . 34 LYS H . 50254 1 142 . 1 . 1 34 34 LYS C C 13 176.269 0.02 . 1 . . . . . 34 LYS C . 50254 1 143 . 1 . 1 34 34 LYS CA C 13 55.160 0.03 . 1 . . . . . 34 LYS CA . 50254 1 144 . 1 . 1 34 34 LYS CB C 13 33.251 0.06 . 1 . . . . . 34 LYS CB . 50254 1 145 . 1 . 1 34 34 LYS N N 15 119.733 0.04 . 1 . . . . . 34 LYS N . 50254 1 146 . 1 . 1 35 35 LEU H H 1 9.000 0.00 . 1 . . . . . 35 LEU H . 50254 1 147 . 1 . 1 35 35 LEU C C 13 179.109 0.01 . 1 . . . . . 35 LEU C . 50254 1 148 . 1 . 1 35 35 LEU CA C 13 53.671 0.14 . 1 . . . . . 35 LEU CA . 50254 1 149 . 1 . 1 35 35 LEU CB C 13 41.647 0.09 . 1 . . . . . 35 LEU CB . 50254 1 150 . 1 . 1 35 35 LEU N N 15 124.283 0.06 . 1 . . . . . 35 LEU N . 50254 1 151 . 1 . 1 36 36 THR H H 1 9.036 0.01 . 1 . . . . . 36 THR H . 50254 1 152 . 1 . 1 36 36 THR C C 13 174.953 0.00 . 1 . . . . . 36 THR C . 50254 1 153 . 1 . 1 36 36 THR CA C 13 62.350 0.07 . 1 . . . . . 36 THR CA . 50254 1 154 . 1 . 1 36 36 THR CB C 13 67.993 0.03 . 1 . . . . . 36 THR CB . 50254 1 155 . 1 . 1 36 36 THR N N 15 115.174 0.06 . 1 . . . . . 36 THR N . 50254 1 156 . 1 . 1 37 37 ASP H H 1 7.560 0.00 . 1 . . . . . 37 ASP H . 50254 1 157 . 1 . 1 37 37 ASP C C 13 174.541 0.01 . 1 . . . . . 37 ASP C . 50254 1 158 . 1 . 1 37 37 ASP CA C 13 54.172 0.09 . 1 . . . . . 37 ASP CA . 50254 1 159 . 1 . 1 37 37 ASP CB C 13 44.159 0.02 . 1 . . . . . 37 ASP CB . 50254 1 160 . 1 . 1 37 37 ASP N N 15 119.026 0.01 . 1 . . . . . 37 ASP N . 50254 1 161 . 1 . 1 38 38 CYS H H 1 8.377 0.00 . 1 . . . . . 38 CYS H . 50254 1 162 . 1 . 1 38 38 CYS C C 13 171.847 0.00 . 1 . . . . . 38 CYS C . 50254 1 163 . 1 . 1 38 38 CYS CA C 13 58.950 0.06 . 1 . . . . . 38 CYS CA . 50254 1 164 . 1 . 1 38 38 CYS CB C 13 27.074 0.03 . 1 . . . . . 38 CYS CB . 50254 1 165 . 1 . 1 38 38 CYS N N 15 122.791 0.03 . 1 . . . . . 38 CYS N . 50254 1 166 . 1 . 1 39 39 VAL H H 1 8.784 0.01 . 1 . . . . . 39 VAL H . 50254 1 167 . 1 . 1 39 39 VAL C C 13 174.142 0.01 . 1 . . . . . 39 VAL C . 50254 1 168 . 1 . 1 39 39 VAL CA C 13 61.070 0.19 . 1 . . . . . 39 VAL CA . 50254 1 169 . 1 . 1 39 39 VAL CB C 13 36.753 0.13 . 1 . . . . . 39 VAL CB . 50254 1 170 . 1 . 1 39 39 VAL N N 15 127.388 0.04 . 1 . . . . . 39 VAL N . 50254 1 171 . 1 . 1 40 40 VAL H H 1 8.248 0.00 . 1 . . . . . 40 VAL H . 50254 1 172 . 1 . 1 40 40 VAL C C 13 176.001 0.04 . 1 . . . . . 40 VAL C . 50254 1 173 . 1 . 1 40 40 VAL CA C 13 62.425 0.15 . 1 . . . . . 40 VAL CA . 50254 1 174 . 1 . 1 40 40 VAL CB C 13 33.672 0.02 . 1 . . . . . 40 VAL CB . 50254 1 175 . 1 . 1 40 40 VAL N N 15 125.352 0.01 . 1 . . . . . 40 VAL N . 50254 1 176 . 1 . 1 41 41 MET H H 1 8.406 0.00 . 1 . . . . . 41 MET H . 50254 1 177 . 1 . 1 41 41 MET C C 13 175.467 0.01 . 1 . . . . . 41 MET C . 50254 1 178 . 1 . 1 41 41 MET CA C 13 55.176 0.15 . 1 . . . . . 41 MET CA . 50254 1 179 . 1 . 1 41 41 MET CB C 13 30.452 0.05 . 1 . . . . . 41 MET CB . 50254 1 180 . 1 . 1 41 41 MET N N 15 126.254 0.04 . 1 . . . . . 41 MET N . 50254 1 181 . 1 . 1 42 42 ARG H H 1 8.352 0.01 . 1 . . . . . 42 ARG H . 50254 1 182 . 1 . 1 42 42 ARG C C 13 176.176 0.02 . 1 . . . . . 42 ARG C . 50254 1 183 . 1 . 1 42 42 ARG CA C 13 54.457 0.16 . 1 . . . . . 42 ARG CA . 50254 1 184 . 1 . 1 42 42 ARG CB C 13 34.077 0.05 . 1 . . . . . 42 ARG CB . 50254 1 185 . 1 . 1 42 42 ARG N N 15 120.885 0.05 . 1 . . . . . 42 ARG N . 50254 1 186 . 1 . 1 43 43 ASP H H 1 8.705 0.00 . 1 . . . . . 43 ASP H . 50254 1 187 . 1 . 1 43 43 ASP C C 13 176.064 0.00 . 1 . . . . . 43 ASP C . 50254 1 188 . 1 . 1 43 43 ASP CA C 13 52.170 0.00 . 1 . . . . . 43 ASP CA . 50254 1 189 . 1 . 1 43 43 ASP CB C 13 42.580 0.00 . 1 . . . . . 43 ASP CB . 50254 1 190 . 1 . 1 43 43 ASP N N 15 124.958 0.02 . 1 . . . . . 43 ASP N . 50254 1 191 . 1 . 1 44 44 PRO C C 13 177.267 0.01 . 1 . . . . . 44 PRO C . 50254 1 192 . 1 . 1 44 44 PRO CA C 13 64.948 0.16 . 1 . . . . . 44 PRO CA . 50254 1 193 . 1 . 1 44 44 PRO CB C 13 32.110 0.04 . 1 . . . . . 44 PRO CB . 50254 1 194 . 1 . 1 45 45 ALA H H 1 8.116 0.00 . 1 . . . . . 45 ALA H . 50254 1 195 . 1 . 1 45 45 ALA C C 13 178.720 0.00 . 1 . . . . . 45 ALA C . 50254 1 196 . 1 . 1 45 45 ALA CA C 13 54.027 0.11 . 1 . . . . . 45 ALA CA . 50254 1 197 . 1 . 1 45 45 ALA CB C 13 19.269 0.04 . 1 . . . . . 45 ALA CB . 50254 1 198 . 1 . 1 45 45 ALA N N 15 119.308 0.01 . 1 . . . . . 45 ALA N . 50254 1 199 . 1 . 1 46 46 SER H H 1 8.156 0.00 . 1 . . . . . 46 SER H . 50254 1 200 . 1 . 1 46 46 SER C C 13 175.764 0.06 . 1 . . . . . 46 SER C . 50254 1 201 . 1 . 1 46 46 SER CA C 13 58.672 0.13 . 1 . . . . . 46 SER CA . 50254 1 202 . 1 . 1 46 46 SER CB C 13 65.439 0.19 . 1 . . . . . 46 SER CB . 50254 1 203 . 1 . 1 46 46 SER N N 15 111.996 0.04 . 1 . . . . . 46 SER N . 50254 1 204 . 1 . 1 47 47 LYS H H 1 8.225 0.00 . 1 . . . . . 47 LYS H . 50254 1 205 . 1 . 1 47 47 LYS C C 13 175.262 0.01 . 1 . . . . . 47 LYS C . 50254 1 206 . 1 . 1 47 47 LYS CA C 13 58.056 0.12 . 1 . . . . . 47 LYS CA . 50254 1 207 . 1 . 1 47 47 LYS CB C 13 29.511 0.14 . 1 . . . . . 47 LYS CB . 50254 1 208 . 1 . 1 47 47 LYS N N 15 116.464 0.03 . 1 . . . . . 47 LYS N . 50254 1 209 . 1 . 1 48 48 ARG H H 1 7.931 0.00 . 1 . . . . . 48 ARG H . 50254 1 210 . 1 . 1 48 48 ARG C C 13 176.554 0.02 . 1 . . . . . 48 ARG C . 50254 1 211 . 1 . 1 48 48 ARG CA C 13 56.319 0.10 . 1 . . . . . 48 ARG CA . 50254 1 212 . 1 . 1 48 48 ARG CB C 13 31.139 0.06 . 1 . . . . . 48 ARG CB . 50254 1 213 . 1 . 1 48 48 ARG N N 15 120.362 0.05 . 1 . . . . . 48 ARG N . 50254 1 214 . 1 . 1 49 49 SER H H 1 8.848 0.00 . 1 . . . . . 49 SER H . 50254 1 215 . 1 . 1 49 49 SER C C 13 175.723 0.05 . 1 . . . . . 49 SER C . 50254 1 216 . 1 . 1 49 49 SER CA C 13 58.541 0.26 . 1 . . . . . 49 SER CA . 50254 1 217 . 1 . 1 49 49 SER CB C 13 64.062 0.04 . 1 . . . . . 49 SER CB . 50254 1 218 . 1 . 1 49 49 SER N N 15 116.882 0.03 . 1 . . . . . 49 SER N . 50254 1 219 . 1 . 1 50 50 ARG H H 1 9.026 0.01 . 1 . . . . . 50 ARG H . 50254 1 220 . 1 . 1 50 50 ARG C C 13 178.012 0.02 . 1 . . . . . 50 ARG C . 50254 1 221 . 1 . 1 50 50 ARG CA C 13 56.072 0.12 . 1 . . . . . 50 ARG CA . 50254 1 222 . 1 . 1 50 50 ARG CB C 13 31.242 0.05 . 1 . . . . . 50 ARG CB . 50254 1 223 . 1 . 1 50 50 ARG N N 15 123.097 0.03 . 1 . . . . . 50 ARG N . 50254 1 224 . 1 . 1 51 51 GLY H H 1 9.482 0.00 . 1 . . . . . 51 GLY H . 50254 1 225 . 1 . 1 51 51 GLY C C 13 171.953 0.05 . 1 . . . . . 51 GLY C . 50254 1 226 . 1 . 1 51 51 GLY CA C 13 45.736 0.07 . 1 . . . . . 51 GLY CA . 50254 1 227 . 1 . 1 51 51 GLY N N 15 107.749 0.03 . 1 . . . . . 51 GLY N . 50254 1 228 . 1 . 1 52 52 PHE H H 1 7.104 0.00 . 1 . . . . . 52 PHE H . 50254 1 229 . 1 . 1 52 52 PHE C C 13 172.803 0.01 . 1 . . . . . 52 PHE C . 50254 1 230 . 1 . 1 52 52 PHE CA C 13 55.151 0.03 . 1 . . . . . 52 PHE CA . 50254 1 231 . 1 . 1 52 52 PHE CB C 13 41.729 0.11 . 1 . . . . . 52 PHE CB . 50254 1 232 . 1 . 1 52 52 PHE N N 15 112.491 0.05 . 1 . . . . . 52 PHE N . 50254 1 233 . 1 . 1 53 53 GLY H H 1 8.445 0.01 . 1 . . . . . 53 GLY H . 50254 1 234 . 1 . 1 53 53 GLY C C 13 170.462 0.02 . 1 . . . . . 53 GLY C . 50254 1 235 . 1 . 1 53 53 GLY CA C 13 45.402 0.07 . 1 . . . . . 53 GLY CA . 50254 1 236 . 1 . 1 53 53 GLY N N 15 106.811 0.02 . 1 . . . . . 53 GLY N . 50254 1 237 . 1 . 1 54 54 PHE H H 1 9.080 0.00 . 1 . . . . . 54 PHE H . 50254 1 238 . 1 . 1 54 54 PHE C C 13 174.499 0.01 . 1 . . . . . 54 PHE C . 50254 1 239 . 1 . 1 54 54 PHE CA C 13 56.766 0.12 . 1 . . . . . 54 PHE CA . 50254 1 240 . 1 . 1 54 54 PHE CB C 13 43.504 0.09 . 1 . . . . . 54 PHE CB . 50254 1 241 . 1 . 1 54 54 PHE N N 15 115.556 0.02 . 1 . . . . . 54 PHE N . 50254 1 242 . 1 . 1 55 55 VAL H H 1 8.762 0.00 . 1 . . . . . 55 VAL H . 50254 1 243 . 1 . 1 55 55 VAL C C 13 173.433 0.01 . 1 . . . . . 55 VAL C . 50254 1 244 . 1 . 1 55 55 VAL CA C 13 59.361 0.06 . 1 . . . . . 55 VAL CA . 50254 1 245 . 1 . 1 55 55 VAL CB C 13 34.807 0.06 . 1 . . . . . 55 VAL CB . 50254 1 246 . 1 . 1 55 55 VAL N N 15 114.262 0.04 . 1 . . . . . 55 VAL N . 50254 1 247 . 1 . 1 56 56 THR H H 1 8.117 0.00 . 1 . . . . . 56 THR H . 50254 1 248 . 1 . 1 56 56 THR C C 13 174.047 0.01 . 1 . . . . . 56 THR C . 50254 1 249 . 1 . 1 56 56 THR CA C 13 61.192 0.09 . 1 . . . . . 56 THR CA . 50254 1 250 . 1 . 1 56 56 THR CB C 13 69.628 0.08 . 1 . . . . . 56 THR CB . 50254 1 251 . 1 . 1 56 56 THR N N 15 119.517 0.01 . 1 . . . . . 56 THR N . 50254 1 252 . 1 . 1 57 57 PHE H H 1 8.869 0.01 . 1 . . . . . 57 PHE H . 50254 1 253 . 1 . 1 57 57 PHE C C 13 176.427 0.00 . 1 . . . . . 57 PHE C . 50254 1 254 . 1 . 1 57 57 PHE CA C 13 58.463 0.13 . 1 . . . . . 57 PHE CA . 50254 1 255 . 1 . 1 57 57 PHE CB C 13 41.862 0.09 . 1 . . . . . 57 PHE CB . 50254 1 256 . 1 . 1 57 57 PHE N N 15 125.451 0.05 . 1 . . . . . 57 PHE N . 50254 1 257 . 1 . 1 58 58 SER H H 1 9.187 0.01 . 1 . . . . . 58 SER H . 50254 1 258 . 1 . 1 58 58 SER C C 13 174.354 0.01 . 1 . . . . . 58 SER C . 50254 1 259 . 1 . 1 58 58 SER CA C 13 61.728 0.03 . 1 . . . . . 58 SER CA . 50254 1 260 . 1 . 1 58 58 SER CB C 13 63.782 0.03 . 1 . . . . . 58 SER CB . 50254 1 261 . 1 . 1 58 58 SER N N 15 116.838 0.01 . 1 . . . . . 58 SER N . 50254 1 262 . 1 . 1 59 59 SER H H 1 8.147 0.01 . 1 . . . . . 59 SER H . 50254 1 263 . 1 . 1 59 59 SER C C 13 174.291 0.01 . 1 . . . . . 59 SER C . 50254 1 264 . 1 . 1 59 59 SER CA C 13 56.810 0.10 . 1 . . . . . 59 SER CA . 50254 1 265 . 1 . 1 59 59 SER CB C 13 66.982 0.09 . 1 . . . . . 59 SER CB . 50254 1 266 . 1 . 1 59 59 SER N N 15 114.473 0.02 . 1 . . . . . 59 SER N . 50254 1 267 . 1 . 1 60 60 MET H H 1 9.616 0.00 . 1 . . . . . 60 MET H . 50254 1 268 . 1 . 1 60 60 MET C C 13 177.415 0.01 . 1 . . . . . 60 MET C . 50254 1 269 . 1 . 1 60 60 MET CA C 13 58.810 0.21 . 1 . . . . . 60 MET CA . 50254 1 270 . 1 . 1 60 60 MET CB C 13 32.526 0.08 . 1 . . . . . 60 MET CB . 50254 1 271 . 1 . 1 60 60 MET N N 15 124.146 0.05 . 1 . . . . . 60 MET N . 50254 1 272 . 1 . 1 61 61 ALA H H 1 8.447 0.00 . 1 . . . . . 61 ALA H . 50254 1 273 . 1 . 1 61 61 ALA C C 13 181.167 0.03 . 1 . . . . . 61 ALA C . 50254 1 274 . 1 . 1 61 61 ALA CA C 13 55.079 0.04 . 1 . . . . . 61 ALA CA . 50254 1 275 . 1 . 1 61 61 ALA CB C 13 17.995 0.01 . 1 . . . . . 61 ALA CB . 50254 1 276 . 1 . 1 61 61 ALA N N 15 121.234 0.05 . 1 . . . . . 61 ALA N . 50254 1 277 . 1 . 1 62 62 GLU H H 1 7.360 0.00 . 1 . . . . . 62 GLU H . 50254 1 278 . 1 . 1 62 62 GLU C C 13 177.167 0.02 . 1 . . . . . 62 GLU C . 50254 1 279 . 1 . 1 62 62 GLU CA C 13 58.991 0.06 . 1 . . . . . 62 GLU CA . 50254 1 280 . 1 . 1 62 62 GLU CB C 13 29.641 0.14 . 1 . . . . . 62 GLU CB . 50254 1 281 . 1 . 1 62 62 GLU N N 15 119.191 0.04 . 1 . . . . . 62 GLU N . 50254 1 282 . 1 . 1 63 63 VAL H H 1 6.710 0.00 . 1 . . . . . 63 VAL H . 50254 1 283 . 1 . 1 63 63 VAL C C 13 178.259 0.03 . 1 . . . . . 63 VAL C . 50254 1 284 . 1 . 1 63 63 VAL CA C 13 66.227 0.00 . 1 . . . . . 63 VAL CA . 50254 1 285 . 1 . 1 63 63 VAL CB C 13 31.282 0.10 . 1 . . . . . 63 VAL CB . 50254 1 286 . 1 . 1 63 63 VAL N N 15 117.748 0.03 . 1 . . . . . 63 VAL N . 50254 1 287 . 1 . 1 64 64 ASP H H 1 8.160 0.00 . 1 . . . . . 64 ASP H . 50254 1 288 . 1 . 1 64 64 ASP C C 13 179.358 0.03 . 1 . . . . . 64 ASP C . 50254 1 289 . 1 . 1 64 64 ASP CA C 13 57.431 0.07 . 1 . . . . . 64 ASP CA . 50254 1 290 . 1 . 1 64 64 ASP CB C 13 39.645 0.09 . 1 . . . . . 64 ASP CB . 50254 1 291 . 1 . 1 64 64 ASP N N 15 118.706 0.03 . 1 . . . . . 64 ASP N . 50254 1 292 . 1 . 1 65 65 ALA H H 1 7.688 0.00 . 1 . . . . . 65 ALA H . 50254 1 293 . 1 . 1 65 65 ALA C C 13 179.593 0.00 . 1 . . . . . 65 ALA C . 50254 1 294 . 1 . 1 65 65 ALA CA C 13 55.077 0.04 . 1 . . . . . 65 ALA CA . 50254 1 295 . 1 . 1 65 65 ALA CB C 13 17.961 0.06 . 1 . . . . . 65 ALA CB . 50254 1 296 . 1 . 1 65 65 ALA N N 15 123.804 0.03 . 1 . . . . . 65 ALA N . 50254 1 297 . 1 . 1 66 66 ALA H H 1 7.764 0.00 . 1 . . . . . 66 ALA H . 50254 1 298 . 1 . 1 66 66 ALA C C 13 181.873 0.01 . 1 . . . . . 66 ALA C . 50254 1 299 . 1 . 1 66 66 ALA CA C 13 54.313 0.14 . 1 . . . . . 66 ALA CA . 50254 1 300 . 1 . 1 66 66 ALA CB C 13 18.026 0.02 . 1 . . . . . 66 ALA CB . 50254 1 301 . 1 . 1 66 66 ALA N N 15 120.940 0.02 . 1 . . . . . 66 ALA N . 50254 1 302 . 1 . 1 67 67 MET H H 1 8.576 0.01 . 1 . . . . . 67 MET H . 50254 1 303 . 1 . 1 67 67 MET C C 13 179.614 0.01 . 1 . . . . . 67 MET C . 50254 1 304 . 1 . 1 67 67 MET CA C 13 56.277 0.10 . 1 . . . . . 67 MET CA . 50254 1 305 . 1 . 1 67 67 MET CB C 13 30.887 0.05 . 1 . . . . . 67 MET CB . 50254 1 306 . 1 . 1 67 67 MET N N 15 115.736 0.03 . 1 . . . . . 67 MET N . 50254 1 307 . 1 . 1 68 68 ALA H H 1 7.800 0.00 . 1 . . . . . 68 ALA H . 50254 1 308 . 1 . 1 68 68 ALA C C 13 177.265 0.03 . 1 . . . . . 68 ALA C . 50254 1 309 . 1 . 1 68 68 ALA CA C 13 53.539 0.05 . 1 . . . . . 68 ALA CA . 50254 1 310 . 1 . 1 68 68 ALA CB C 13 17.975 0.09 . 1 . . . . . 68 ALA CB . 50254 1 311 . 1 . 1 68 68 ALA N N 15 123.027 0.03 . 1 . . . . . 68 ALA N . 50254 1 312 . 1 . 1 69 69 ALA H H 1 7.032 0.00 . 1 . . . . . 69 ALA H . 50254 1 313 . 1 . 1 69 69 ALA C C 13 176.378 0.03 . 1 . . . . . 69 ALA C . 50254 1 314 . 1 . 1 69 69 ALA CA C 13 51.174 0.04 . 1 . . . . . 69 ALA CA . 50254 1 315 . 1 . 1 69 69 ALA CB C 13 19.949 0.11 . 1 . . . . . 69 ALA CB . 50254 1 316 . 1 . 1 69 69 ALA N N 15 120.858 0.01 . 1 . . . . . 69 ALA N . 50254 1 317 . 1 . 1 70 70 ARG H H 1 6.591 0.01 . 1 . . . . . 70 ARG H . 50254 1 318 . 1 . 1 70 70 ARG C C 13 174.321 0.00 . 1 . . . . . 70 ARG C . 50254 1 319 . 1 . 1 70 70 ARG CA C 13 56.484 0.00 . 1 . . . . . 70 ARG CA . 50254 1 320 . 1 . 1 70 70 ARG CB C 13 29.899 0.00 . 1 . . . . . 70 ARG CB . 50254 1 321 . 1 . 1 70 70 ARG N N 15 118.160 0.03 . 1 . . . . . 70 ARG N . 50254 1 322 . 1 . 1 71 71 PRO C C 13 175.710 0.03 . 1 . . . . . 71 PRO C . 50254 1 323 . 1 . 1 71 71 PRO CA C 13 61.761 0.07 . 1 . . . . . 71 PRO CA . 50254 1 324 . 1 . 1 71 71 PRO CB C 13 35.563 0.04 . 1 . . . . . 71 PRO CB . 50254 1 325 . 1 . 1 72 72 HIS H H 1 9.575 0.01 . 1 . . . . . 72 HIS H . 50254 1 326 . 1 . 1 72 72 HIS C C 13 174.330 0.01 . 1 . . . . . 72 HIS C . 50254 1 327 . 1 . 1 72 72 HIS CA C 13 53.049 0.08 . 1 . . . . . 72 HIS CA . 50254 1 328 . 1 . 1 72 72 HIS CB C 13 34.596 0.07 . 1 . . . . . 72 HIS CB . 50254 1 329 . 1 . 1 72 72 HIS N N 15 124.260 0.02 . 1 . . . . . 72 HIS N . 50254 1 330 . 1 . 1 73 73 SER H H 1 7.532 0.00 . 1 . . . . . 73 SER H . 50254 1 331 . 1 . 1 73 73 SER C C 13 172.851 0.02 . 1 . . . . . 73 SER C . 50254 1 332 . 1 . 1 73 73 SER CA C 13 56.287 0.04 . 1 . . . . . 73 SER CA . 50254 1 333 . 1 . 1 73 73 SER CB C 13 64.382 0.05 . 1 . . . . . 73 SER CB . 50254 1 334 . 1 . 1 73 73 SER N N 15 116.588 0.02 . 1 . . . . . 73 SER N . 50254 1 335 . 1 . 1 74 74 ILE H H 1 8.473 0.01 . 1 . . . . . 74 ILE H . 50254 1 336 . 1 . 1 74 74 ILE C C 13 176.576 0.04 . 1 . . . . . 74 ILE C . 50254 1 337 . 1 . 1 74 74 ILE CA C 13 60.780 0.18 . 1 . . . . . 74 ILE CA . 50254 1 338 . 1 . 1 74 74 ILE CB C 13 40.435 0.11 . 1 . . . . . 74 ILE CB . 50254 1 339 . 1 . 1 74 74 ILE N N 15 123.016 0.06 . 1 . . . . . 74 ILE N . 50254 1 340 . 1 . 1 75 75 ASP H H 1 9.397 0.00 . 1 . . . . . 75 ASP H . 50254 1 341 . 1 . 1 75 75 ASP C C 13 175.551 0.01 . 1 . . . . . 75 ASP C . 50254 1 342 . 1 . 1 75 75 ASP CA C 13 55.791 0.12 . 1 . . . . . 75 ASP CA . 50254 1 343 . 1 . 1 75 75 ASP CB C 13 39.596 0.04 . 1 . . . . . 75 ASP CB . 50254 1 344 . 1 . 1 75 75 ASP N N 15 127.438 0.01 . 1 . . . . . 75 ASP N . 50254 1 345 . 1 . 1 76 76 GLY H H 1 8.561 0.00 . 1 . . . . . 76 GLY H . 50254 1 346 . 1 . 1 76 76 GLY C C 13 173.847 0.03 . 1 . . . . . 76 GLY C . 50254 1 347 . 1 . 1 76 76 GLY CA C 13 45.541 0.01 . 1 . . . . . 76 GLY CA . 50254 1 348 . 1 . 1 76 76 GLY N N 15 102.366 0.01 . 1 . . . . . 76 GLY N . 50254 1 349 . 1 . 1 77 77 ARG H H 1 7.503 0.00 . 1 . . . . . 77 ARG H . 50254 1 350 . 1 . 1 77 77 ARG C C 13 174.287 0.01 . 1 . . . . . 77 ARG C . 50254 1 351 . 1 . 1 77 77 ARG CA C 13 53.183 0.04 . 1 . . . . . 77 ARG CA . 50254 1 352 . 1 . 1 77 77 ARG CB C 13 32.551 0.07 . 1 . . . . . 77 ARG CB . 50254 1 353 . 1 . 1 77 77 ARG N N 15 119.832 0.02 . 1 . . . . . 77 ARG N . 50254 1 354 . 1 . 1 78 78 VAL H H 1 8.444 0.00 . 1 . . . . . 78 VAL H . 50254 1 355 . 1 . 1 78 78 VAL C C 13 177.330 0.01 . 1 . . . . . 78 VAL C . 50254 1 356 . 1 . 1 78 78 VAL CA C 13 63.238 0.11 . 1 . . . . . 78 VAL CA . 50254 1 357 . 1 . 1 78 78 VAL CB C 13 31.040 0.08 . 1 . . . . . 78 VAL CB . 50254 1 358 . 1 . 1 78 78 VAL N N 15 124.030 0.02 . 1 . . . . . 78 VAL N . 50254 1 359 . 1 . 1 79 79 VAL H H 1 8.170 0.00 . 1 . . . . . 79 VAL H . 50254 1 360 . 1 . 1 79 79 VAL C C 13 175.048 0.02 . 1 . . . . . 79 VAL C . 50254 1 361 . 1 . 1 79 79 VAL CA C 13 60.646 0.19 . 1 . . . . . 79 VAL CA . 50254 1 362 . 1 . 1 79 79 VAL CB C 13 32.305 0.02 . 1 . . . . . 79 VAL CB . 50254 1 363 . 1 . 1 79 79 VAL N N 15 123.214 0.03 . 1 . . . . . 79 VAL N . 50254 1 364 . 1 . 1 80 80 GLU H H 1 8.585 0.00 . 1 . . . . . 80 GLU H . 50254 1 365 . 1 . 1 80 80 GLU C C 13 173.857 0.00 . 1 . . . . . 80 GLU C . 50254 1 366 . 1 . 1 80 80 GLU CA C 13 52.976 0.00 . 1 . . . . . 80 GLU CA . 50254 1 367 . 1 . 1 80 80 GLU CB C 13 31.241 0.00 . 1 . . . . . 80 GLU CB . 50254 1 368 . 1 . 1 80 80 GLU N N 15 119.436 0.06 . 1 . . . . . 80 GLU N . 50254 1 369 . 1 . 1 81 81 PRO C C 13 176.989 0.02 . 1 . . . . . 81 PRO C . 50254 1 370 . 1 . 1 81 81 PRO CA C 13 61.667 0.00 . 1 . . . . . 81 PRO CA . 50254 1 371 . 1 . 1 81 81 PRO CB C 13 32.947 0.05 . 1 . . . . . 81 PRO CB . 50254 1 372 . 1 . 1 82 82 LYS H H 1 9.603 0.01 . 1 . . . . . 82 LYS H . 50254 1 373 . 1 . 1 82 82 LYS C C 13 175.540 0.00 . 1 . . . . . 82 LYS C . 50254 1 374 . 1 . 1 82 82 LYS CA C 13 55.286 0.00 . 1 . . . . . 82 LYS CA . 50254 1 375 . 1 . 1 82 82 LYS CB C 13 36.613 0.00 . 1 . . . . . 82 LYS CB . 50254 1 376 . 1 . 1 82 82 LYS N N 15 120.739 0.07 . 1 . . . . . 82 LYS N . 50254 1 377 . 1 . 1 83 83 ARG C C 13 176.627 0.00 . 1 . . . . . 83 ARG C . 50254 1 378 . 1 . 1 83 83 ARG CA C 13 57.291 0.13 . 1 . . . . . 83 ARG CA . 50254 1 379 . 1 . 1 83 83 ARG CB C 13 30.297 0.04 . 1 . . . . . 83 ARG CB . 50254 1 380 . 1 . 1 84 84 ALA H H 1 8.216 0.01 . 1 . . . . . 84 ALA H . 50254 1 381 . 1 . 1 84 84 ALA C C 13 176.669 0.01 . 1 . . . . . 84 ALA C . 50254 1 382 . 1 . 1 84 84 ALA CA C 13 52.944 0.10 . 1 . . . . . 84 ALA CA . 50254 1 383 . 1 . 1 84 84 ALA CB C 13 19.249 0.05 . 1 . . . . . 84 ALA CB . 50254 1 384 . 1 . 1 84 84 ALA N N 15 125.226 0.06 . 1 . . . . . 84 ALA N . 50254 1 385 . 1 . 1 85 85 VAL H H 1 7.794 0.00 . 1 . . . . . 85 VAL H . 50254 1 386 . 1 . 1 85 85 VAL C C 13 175.334 0.01 . 1 . . . . . 85 VAL C . 50254 1 387 . 1 . 1 85 85 VAL CA C 13 61.286 0.07 . 1 . . . . . 85 VAL CA . 50254 1 388 . 1 . 1 85 85 VAL CB C 13 33.296 0.04 . 1 . . . . . 85 VAL CB . 50254 1 389 . 1 . 1 85 85 VAL N N 15 115.823 0.02 . 1 . . . . . 85 VAL N . 50254 1 390 . 1 . 1 86 86 ALA H H 1 8.351 0.01 . 1 . . . . . 86 ALA H . 50254 1 391 . 1 . 1 86 86 ALA C C 13 177.823 0.01 . 1 . . . . . 86 ALA C . 50254 1 392 . 1 . 1 86 86 ALA CA C 13 52.349 0.03 . 1 . . . . . 86 ALA CA . 50254 1 393 . 1 . 1 86 86 ALA CB C 13 19.424 0.01 . 1 . . . . . 86 ALA CB . 50254 1 394 . 1 . 1 86 86 ALA N N 15 127.127 0.03 . 1 . . . . . 86 ALA N . 50254 1 395 . 1 . 1 87 87 ARG H H 1 8.375 0.01 . 1 . . . . . 87 ARG H . 50254 1 396 . 1 . 1 87 87 ARG C C 13 176.836 0.03 . 1 . . . . . 87 ARG C . 50254 1 397 . 1 . 1 87 87 ARG CA C 13 57.122 0.05 . 1 . . . . . 87 ARG CA . 50254 1 398 . 1 . 1 87 87 ARG CB C 13 29.037 0.15 . 1 . . . . . 87 ARG CB . 50254 1 399 . 1 . 1 87 87 ARG N N 15 121.179 0.02 . 1 . . . . . 87 ARG N . 50254 1 400 . 1 . 1 88 88 GLU H H 1 8.210 0.00 . 1 . . . . . 88 GLU H . 50254 1 401 . 1 . 1 88 88 GLU C C 13 176.852 0.09 . 1 . . . . . 88 GLU C . 50254 1 402 . 1 . 1 88 88 GLU CA C 13 57.190 0.14 . 1 . . . . . 88 GLU CA . 50254 1 403 . 1 . 1 88 88 GLU CB C 13 30.007 0.05 . 1 . . . . . 88 GLU CB . 50254 1 404 . 1 . 1 88 88 GLU N N 15 120.922 0.01 . 1 . . . . . 88 GLU N . 50254 1 405 . 1 . 1 89 89 GLU H H 1 8.327 0.01 . 1 . . . . . 89 GLU H . 50254 1 406 . 1 . 1 89 89 GLU C C 13 176.661 0.03 . 1 . . . . . 89 GLU C . 50254 1 407 . 1 . 1 89 89 GLU CA C 13 56.562 0.15 . 1 . . . . . 89 GLU CA . 50254 1 408 . 1 . 1 89 89 GLU CB C 13 30.359 0.02 . 1 . . . . . 89 GLU CB . 50254 1 409 . 1 . 1 89 89 GLU N N 15 121.425 0.01 . 1 . . . . . 89 GLU N . 50254 1 410 . 1 . 1 90 90 SER H H 1 8.156 0.01 . 1 . . . . . 90 SER H . 50254 1 411 . 1 . 1 90 90 SER C C 13 175.122 0.00 . 1 . . . . . 90 SER C . 50254 1 412 . 1 . 1 90 90 SER CA C 13 59.178 0.10 . 1 . . . . . 90 SER CA . 50254 1 413 . 1 . 1 90 90 SER CB C 13 63.771 0.04 . 1 . . . . . 90 SER CB . 50254 1 414 . 1 . 1 90 90 SER N N 15 116.083 0.03 . 1 . . . . . 90 SER N . 50254 1 415 . 1 . 1 91 91 GLY H H 1 8.477 0.01 . 1 . . . . . 91 GLY H . 50254 1 416 . 1 . 1 91 91 GLY C C 13 173.883 0.02 . 1 . . . . . 91 GLY C . 50254 1 417 . 1 . 1 91 91 GLY CA C 13 45.177 0.02 . 1 . . . . . 91 GLY CA . 50254 1 418 . 1 . 1 91 91 GLY N N 15 110.734 0.03 . 1 . . . . . 91 GLY N . 50254 1 419 . 1 . 1 92 92 LYS H H 1 7.909 0.00 . 1 . . . . . 92 LYS H . 50254 1 420 . 1 . 1 92 92 LYS C C 13 174.673 0.00 . 1 . . . . . 92 LYS C . 50254 1 421 . 1 . 1 92 92 LYS CA C 13 54.344 0.00 . 1 . . . . . 92 LYS CA . 50254 1 422 . 1 . 1 92 92 LYS CB C 13 32.367 0.00 . 1 . . . . . 92 LYS CB . 50254 1 423 . 1 . 1 92 92 LYS N N 15 121.683 0.01 . 1 . . . . . 92 LYS N . 50254 1 424 . 1 . 1 93 93 PRO C C 13 177.809 0.01 . 1 . . . . . 93 PRO C . 50254 1 425 . 1 . 1 93 93 PRO CA C 13 63.706 0.06 . 1 . . . . . 93 PRO CA . 50254 1 426 . 1 . 1 93 93 PRO CB C 13 31.879 0.00 . 1 . . . . . 93 PRO CB . 50254 1 427 . 1 . 1 94 94 GLY H H 1 8.579 0.00 . 1 . . . . . 94 GLY H . 50254 1 428 . 1 . 1 94 94 GLY C C 13 174.146 0.01 . 1 . . . . . 94 GLY C . 50254 1 429 . 1 . 1 94 94 GLY CA C 13 45.386 0.01 . 1 . . . . . 94 GLY CA . 50254 1 430 . 1 . 1 94 94 GLY N N 15 109.718 0.01 . 1 . . . . . 94 GLY N . 50254 1 431 . 1 . 1 95 95 ALA H H 1 7.928 0.00 . 1 . . . . . 95 ALA H . 50254 1 432 . 1 . 1 95 95 ALA C C 13 177.759 0.03 . 1 . . . . . 95 ALA C . 50254 1 433 . 1 . 1 95 95 ALA CA C 13 53.225 0.12 . 1 . . . . . 95 ALA CA . 50254 1 434 . 1 . 1 95 95 ALA CB C 13 19.438 0.03 . 1 . . . . . 95 ALA CB . 50254 1 435 . 1 . 1 95 95 ALA N N 15 122.848 0.03 . 1 . . . . . 95 ALA N . 50254 1 436 . 1 . 1 96 96 HIS H H 1 8.327 0.00 . 1 . . . . . 96 HIS H . 50254 1 437 . 1 . 1 96 96 HIS C C 13 174.844 0.00 . 1 . . . . . 96 HIS C . 50254 1 438 . 1 . 1 96 96 HIS CA C 13 55.664 0.04 . 1 . . . . . 96 HIS CA . 50254 1 439 . 1 . 1 96 96 HIS CB C 13 30.188 0.06 . 1 . . . . . 96 HIS CB . 50254 1 440 . 1 . 1 96 96 HIS N N 15 117.207 0.01 . 1 . . . . . 96 HIS N . 50254 1 441 . 1 . 1 97 97 VAL H H 1 7.749 0.00 . 1 . . . . . 97 VAL H . 50254 1 442 . 1 . 1 97 97 VAL C C 13 175.758 0.01 . 1 . . . . . 97 VAL C . 50254 1 443 . 1 . 1 97 97 VAL CA C 13 62.111 0.10 . 1 . . . . . 97 VAL CA . 50254 1 444 . 1 . 1 97 97 VAL CB C 13 32.879 0.15 . 1 . . . . . 97 VAL CB . 50254 1 445 . 1 . 1 97 97 VAL N N 15 121.360 0.05 . 1 . . . . . 97 VAL N . 50254 1 446 . 1 . 1 98 98 THR H H 1 8.354 0.01 . 1 . . . . . 98 THR H . 50254 1 447 . 1 . 1 98 98 THR C C 13 174.068 0.03 . 1 . . . . . 98 THR C . 50254 1 448 . 1 . 1 98 98 THR CA C 13 57.328 0.08 . 1 . . . . . 98 THR CA . 50254 1 449 . 1 . 1 98 98 THR CB C 13 69.482 0.09 . 1 . . . . . 98 THR CB . 50254 1 450 . 1 . 1 98 98 THR N N 15 120.048 0.07 . 1 . . . . . 98 THR N . 50254 1 451 . 1 . 1 99 99 VAL H H 1 8.575 0.01 . 1 . . . . . 99 VAL H . 50254 1 452 . 1 . 1 99 99 VAL C C 13 174.887 0.02 . 1 . . . . . 99 VAL C . 50254 1 453 . 1 . 1 99 99 VAL CA C 13 61.146 0.02 . 1 . . . . . 99 VAL CA . 50254 1 454 . 1 . 1 99 99 VAL CB C 13 35.290 0.03 . 1 . . . . . 99 VAL CB . 50254 1 455 . 1 . 1 99 99 VAL N N 15 121.639 0.11 . 1 . . . . . 99 VAL N . 50254 1 456 . 1 . 1 100 100 LYS H H 1 8.614 0.01 . 1 . . . . . 100 LYS H . 50254 1 457 . 1 . 1 100 100 LYS C C 13 173.449 0.00 . 1 . . . . . 100 LYS C . 50254 1 458 . 1 . 1 100 100 LYS CB C 13 33.290 0.00 . 1 . . . . . 100 LYS CB . 50254 1 459 . 1 . 1 100 100 LYS N N 15 120.316 0.06 . 1 . . . . . 100 LYS N . 50254 1 460 . 1 . 1 101 101 LYS C C 13 172.894 0.01 . 1 . . . . . 101 LYS C . 50254 1 461 . 1 . 1 101 101 LYS CA C 13 55.281 0.04 . 1 . . . . . 101 LYS CA . 50254 1 462 . 1 . 1 101 101 LYS CB C 13 36.357 0.04 . 1 . . . . . 101 LYS CB . 50254 1 463 . 1 . 1 102 102 LEU H H 1 9.405 0.00 . 1 . . . . . 102 LEU H . 50254 1 464 . 1 . 1 102 102 LEU C C 13 176.323 0.02 . 1 . . . . . 102 LEU C . 50254 1 465 . 1 . 1 102 102 LEU CA C 13 53.141 0.11 . 1 . . . . . 102 LEU CA . 50254 1 466 . 1 . 1 102 102 LEU CB C 13 47.202 0.10 . 1 . . . . . 102 LEU CB . 50254 1 467 . 1 . 1 102 102 LEU N N 15 127.679 0.05 . 1 . . . . . 102 LEU N . 50254 1 468 . 1 . 1 103 103 PHE H H 1 9.257 0.01 . 1 . . . . . 103 PHE H . 50254 1 469 . 1 . 1 103 103 PHE C C 13 173.426 0.02 . 1 . . . . . 103 PHE C . 50254 1 470 . 1 . 1 103 103 PHE CA C 13 57.765 0.14 . 1 . . . . . 103 PHE CA . 50254 1 471 . 1 . 1 103 103 PHE CB C 13 40.490 0.11 . 1 . . . . . 103 PHE CB . 50254 1 472 . 1 . 1 103 103 PHE N N 15 126.820 0.04 . 1 . . . . . 103 PHE N . 50254 1 473 . 1 . 1 104 104 VAL H H 1 7.990 0.00 . 1 . . . . . 104 VAL H . 50254 1 474 . 1 . 1 104 104 VAL C C 13 173.404 0.02 . 1 . . . . . 104 VAL C . 50254 1 475 . 1 . 1 104 104 VAL CA C 13 60.218 0.08 . 1 . . . . . 104 VAL CA . 50254 1 476 . 1 . 1 104 104 VAL CB C 13 32.984 0.04 . 1 . . . . . 104 VAL CB . 50254 1 477 . 1 . 1 104 104 VAL N N 15 127.196 0.01 . 1 . . . . . 104 VAL N . 50254 1 478 . 1 . 1 105 105 GLY H H 1 9.181 0.00 . 1 . . . . . 105 GLY H . 50254 1 479 . 1 . 1 105 105 GLY C C 13 174.927 0.03 . 1 . . . . . 105 GLY C . 50254 1 480 . 1 . 1 105 105 GLY CA C 13 43.444 0.08 . 1 . . . . . 105 GLY CA . 50254 1 481 . 1 . 1 105 105 GLY N N 15 113.082 0.04 . 1 . . . . . 105 GLY N . 50254 1 482 . 1 . 1 106 106 GLY H H 1 8.648 0.00 . 1 . . . . . 106 GLY H . 50254 1 483 . 1 . 1 106 106 GLY C C 13 174.905 0.00 . 1 . . . . . 106 GLY C . 50254 1 484 . 1 . 1 106 106 GLY CA C 13 46.436 0.00 . 1 . . . . . 106 GLY CA . 50254 1 485 . 1 . 1 106 106 GLY N N 15 106.977 0.10 . 1 . . . . . 106 GLY N . 50254 1 486 . 1 . 1 109 109 GLU CA C 13 57.011 0.01 . 1 . . . . . 109 GLU CA . 50254 1 487 . 1 . 1 109 109 GLU CB C 13 30.042 0.00 . 1 . . . . . 109 GLU CB . 50254 1 488 . 1 . 1 110 110 ASP H H 1 8.220 0.01 . 1 . . . . . 110 ASP H . 50254 1 489 . 1 . 1 110 110 ASP CA C 13 52.927 0.00 . 1 . . . . . 110 ASP CA . 50254 1 490 . 1 . 1 110 110 ASP CB C 13 40.307 0.00 . 1 . . . . . 110 ASP CB . 50254 1 491 . 1 . 1 110 110 ASP N N 15 117.176 0.01 . 1 . . . . . 110 ASP N . 50254 1 492 . 1 . 1 111 111 THR C C 13 173.438 0.00 . 1 . . . . . 111 THR C . 50254 1 493 . 1 . 1 111 111 THR CA C 13 62.537 0.04 . 1 . . . . . 111 THR CA . 50254 1 494 . 1 . 1 111 111 THR CB C 13 68.040 0.04 . 1 . . . . . 111 THR CB . 50254 1 495 . 1 . 1 112 112 GLU H H 1 11.350 0.01 . 1 . . . . . 112 GLU H . 50254 1 496 . 1 . 1 112 112 GLU C C 13 177.508 0.00 . 1 . . . . . 112 GLU C . 50254 1 497 . 1 . 1 112 112 GLU CA C 13 53.926 0.10 . 1 . . . . . 112 GLU CA . 50254 1 498 . 1 . 1 112 112 GLU CB C 13 33.153 0.06 . 1 . . . . . 112 GLU CB . 50254 1 499 . 1 . 1 112 112 GLU N N 15 130.157 0.02 . 1 . . . . . 112 GLU N . 50254 1 500 . 1 . 1 113 113 GLU H H 1 9.502 0.00 . 1 . . . . . 113 GLU H . 50254 1 501 . 1 . 1 113 113 GLU C C 13 179.509 0.01 . 1 . . . . . 113 GLU C . 50254 1 502 . 1 . 1 113 113 GLU CA C 13 61.429 0.08 . 1 . . . . . 113 GLU CA . 50254 1 503 . 1 . 1 113 113 GLU CB C 13 29.017 0.04 . 1 . . . . . 113 GLU CB . 50254 1 504 . 1 . 1 113 113 GLU N N 15 122.252 0.01 . 1 . . . . . 113 GLU N . 50254 1 505 . 1 . 1 114 114 HIS H H 1 8.433 0.01 . 1 . . . . . 114 HIS H . 50254 1 506 . 1 . 1 114 114 HIS C C 13 176.460 0.05 . 1 . . . . . 114 HIS C . 50254 1 507 . 1 . 1 114 114 HIS CA C 13 58.779 0.16 . 1 . . . . . 114 HIS CA . 50254 1 508 . 1 . 1 114 114 HIS CB C 13 27.642 0.00 . 1 . . . . . 114 HIS CB . 50254 1 509 . 1 . 1 114 114 HIS N N 15 113.379 0.02 . 1 . . . . . 114 HIS N . 50254 1 510 . 1 . 1 115 115 HIS H H 1 6.620 0.01 . 1 . . . . . 115 HIS H . 50254 1 511 . 1 . 1 115 115 HIS C C 13 179.803 0.01 . 1 . . . . . 115 HIS C . 50254 1 512 . 1 . 1 115 115 HIS CA C 13 60.644 0.11 . 1 . . . . . 115 HIS CA . 50254 1 513 . 1 . 1 115 115 HIS CB C 13 32.004 0.09 . 1 . . . . . 115 HIS CB . 50254 1 514 . 1 . 1 115 115 HIS N N 15 118.241 0.03 . 1 . . . . . 115 HIS N . 50254 1 515 . 1 . 1 116 116 LEU H H 1 7.157 0.00 . 1 . . . . . 116 LEU H . 50254 1 516 . 1 . 1 116 116 LEU C C 13 177.960 0.02 . 1 . . . . . 116 LEU C . 50254 1 517 . 1 . 1 116 116 LEU CA C 13 57.967 0.10 . 1 . . . . . 116 LEU CA . 50254 1 518 . 1 . 1 116 116 LEU CB C 13 41.474 0.05 . 1 . . . . . 116 LEU CB . 50254 1 519 . 1 . 1 116 116 LEU N N 15 116.564 0.03 . 1 . . . . . 116 LEU N . 50254 1 520 . 1 . 1 117 117 ARG H H 1 8.632 0.01 . 1 . . . . . 117 ARG H . 50254 1 521 . 1 . 1 117 117 ARG C C 13 177.052 0.00 . 1 . . . . . 117 ARG C . 50254 1 522 . 1 . 1 117 117 ARG CA C 13 60.716 0.06 . 1 . . . . . 117 ARG CA . 50254 1 523 . 1 . 1 117 117 ARG CB C 13 30.022 0.04 . 1 . . . . . 117 ARG CB . 50254 1 524 . 1 . 1 117 117 ARG N N 15 121.941 0.03 . 1 . . . . . 117 ARG N . 50254 1 525 . 1 . 1 118 118 ASP H H 1 8.411 0.00 . 1 . . . . . 118 ASP H . 50254 1 526 . 1 . 1 118 118 ASP C C 13 178.019 0.01 . 1 . . . . . 118 ASP C . 50254 1 527 . 1 . 1 118 118 ASP CA C 13 56.980 0.03 . 1 . . . . . 118 ASP CA . 50254 1 528 . 1 . 1 118 118 ASP CB C 13 40.547 0.04 . 1 . . . . . 118 ASP CB . 50254 1 529 . 1 . 1 118 118 ASP N N 15 115.978 0.03 . 1 . . . . . 118 ASP N . 50254 1 530 . 1 . 1 119 119 TYR H H 1 7.318 0.00 . 1 . . . . . 119 TYR H . 50254 1 531 . 1 . 1 119 119 TYR C C 13 177.525 0.03 . 1 . . . . . 119 TYR C . 50254 1 532 . 1 . 1 119 119 TYR CA C 13 61.774 0.03 . 1 . . . . . 119 TYR CA . 50254 1 533 . 1 . 1 119 119 TYR CB C 13 40.081 0.05 . 1 . . . . . 119 TYR CB . 50254 1 534 . 1 . 1 119 119 TYR N N 15 116.470 0.03 . 1 . . . . . 119 TYR N . 50254 1 535 . 1 . 1 120 120 PHE H H 1 8.589 0.00 . 1 . . . . . 120 PHE H . 50254 1 536 . 1 . 1 120 120 PHE C C 13 178.432 0.02 . 1 . . . . . 120 PHE C . 50254 1 537 . 1 . 1 120 120 PHE CA C 13 62.136 0.03 . 1 . . . . . 120 PHE CA . 50254 1 538 . 1 . 1 120 120 PHE CB C 13 39.302 0.07 . 1 . . . . . 120 PHE CB . 50254 1 539 . 1 . 1 120 120 PHE N N 15 112.560 0.02 . 1 . . . . . 120 PHE N . 50254 1 540 . 1 . 1 121 121 GLU H H 1 8.814 0.00 . 1 . . . . . 121 GLU H . 50254 1 541 . 1 . 1 121 121 GLU C C 13 177.542 0.00 . 1 . . . . . 121 GLU C . 50254 1 542 . 1 . 1 121 121 GLU CA C 13 59.110 0.06 . 1 . . . . . 121 GLU CA . 50254 1 543 . 1 . 1 121 121 GLU CB C 13 28.580 0.05 . 1 . . . . . 121 GLU CB . 50254 1 544 . 1 . 1 121 121 GLU N N 15 121.169 0.01 . 1 . . . . . 121 GLU N . 50254 1 545 . 1 . 1 122 122 GLU H H 1 7.333 0.00 . 1 . . . . . 122 GLU H . 50254 1 546 . 1 . 1 122 122 GLU C C 13 177.513 0.02 . 1 . . . . . 122 GLU C . 50254 1 547 . 1 . 1 122 122 GLU CA C 13 57.942 0.08 . 1 . . . . . 122 GLU CA . 50254 1 548 . 1 . 1 122 122 GLU CB C 13 29.594 0.02 . 1 . . . . . 122 GLU CB . 50254 1 549 . 1 . 1 122 122 GLU N N 15 115.736 0.02 . 1 . . . . . 122 GLU N . 50254 1 550 . 1 . 1 123 123 TYR H H 1 8.163 0.00 . 1 . . . . . 123 TYR H . 50254 1 551 . 1 . 1 123 123 TYR C C 13 176.183 0.03 . 1 . . . . . 123 TYR C . 50254 1 552 . 1 . 1 123 123 TYR CA C 13 60.145 0.09 . 1 . . . . . 123 TYR CA . 50254 1 553 . 1 . 1 123 123 TYR CB C 13 39.624 0.04 . 1 . . . . . 123 TYR CB . 50254 1 554 . 1 . 1 123 123 TYR N N 15 115.372 0.03 . 1 . . . . . 123 TYR N . 50254 1 555 . 1 . 1 124 124 GLY H H 1 7.580 0.00 . 1 . . . . . 124 GLY H . 50254 1 556 . 1 . 1 124 124 GLY C C 13 170.071 0.01 . 1 . . . . . 124 GLY C . 50254 1 557 . 1 . 1 124 124 GLY CA C 13 45.197 0.01 . 1 . . . . . 124 GLY CA . 50254 1 558 . 1 . 1 124 124 GLY N N 15 105.697 0.01 . 1 . . . . . 124 GLY N . 50254 1 559 . 1 . 1 125 125 LYS H H 1 8.360 0.00 . 1 . . . . . 125 LYS H . 50254 1 560 . 1 . 1 125 125 LYS C C 13 176.425 0.01 . 1 . . . . . 125 LYS C . 50254 1 561 . 1 . 1 125 125 LYS CA C 13 56.994 0.08 . 1 . . . . . 125 LYS CA . 50254 1 562 . 1 . 1 125 125 LYS CB C 13 32.755 0.14 . 1 . . . . . 125 LYS CB . 50254 1 563 . 1 . 1 125 125 LYS N N 15 118.360 0.05 . 1 . . . . . 125 LYS N . 50254 1 564 . 1 . 1 126 126 ILE H H 1 8.819 0.01 . 1 . . . . . 126 ILE H . 50254 1 565 . 1 . 1 126 126 ILE C C 13 175.552 0.01 . 1 . . . . . 126 ILE C . 50254 1 566 . 1 . 1 126 126 ILE CA C 13 61.793 0.02 . 1 . . . . . 126 ILE CA . 50254 1 567 . 1 . 1 126 126 ILE CB C 13 40.089 0.06 . 1 . . . . . 126 ILE CB . 50254 1 568 . 1 . 1 126 126 ILE N N 15 128.299 0.02 . 1 . . . . . 126 ILE N . 50254 1 569 . 1 . 1 127 127 ASP H H 1 9.192 0.00 . 1 . . . . . 127 ASP H . 50254 1 570 . 1 . 1 127 127 ASP C C 13 175.850 0.03 . 1 . . . . . 127 ASP C . 50254 1 571 . 1 . 1 127 127 ASP CA C 13 55.651 0.05 . 1 . . . . . 127 ASP CA . 50254 1 572 . 1 . 1 127 127 ASP CB C 13 42.177 0.12 . 1 . . . . . 127 ASP CB . 50254 1 573 . 1 . 1 127 127 ASP N N 15 128.629 0.03 . 1 . . . . . 127 ASP N . 50254 1 574 . 1 . 1 128 128 THR H H 1 7.425 0.00 . 1 . . . . . 128 THR H . 50254 1 575 . 1 . 1 128 128 THR C C 13 171.960 0.01 . 1 . . . . . 128 THR C . 50254 1 576 . 1 . 1 128 128 THR CA C 13 60.700 0.13 . 1 . . . . . 128 THR CA . 50254 1 577 . 1 . 1 128 128 THR CB C 13 73.000 0.10 . 1 . . . . . 128 THR CB . 50254 1 578 . 1 . 1 128 128 THR N N 15 108.647 0.02 . 1 . . . . . 128 THR N . 50254 1 579 . 1 . 1 129 129 ILE H H 1 8.477 0.00 . 1 . . . . . 129 ILE H . 50254 1 580 . 1 . 1 129 129 ILE C C 13 174.013 0.02 . 1 . . . . . 129 ILE C . 50254 1 581 . 1 . 1 129 129 ILE CA C 13 60.875 0.17 . 1 . . . . . 129 ILE CA . 50254 1 582 . 1 . 1 129 129 ILE CB C 13 41.215 0.05 . 1 . . . . . 129 ILE CB . 50254 1 583 . 1 . 1 129 129 ILE N N 15 122.885 0.04 . 1 . . . . . 129 ILE N . 50254 1 584 . 1 . 1 130 130 GLU H H 1 8.996 0.00 . 1 . . . . . 130 GLU H . 50254 1 585 . 1 . 1 130 130 GLU C C 13 174.651 0.02 . 1 . . . . . 130 GLU C . 50254 1 586 . 1 . 1 130 130 GLU CA C 13 54.734 0.04 . 1 . . . . . 130 GLU CA . 50254 1 587 . 1 . 1 130 130 GLU CB C 13 34.003 0.02 . 1 . . . . . 130 GLU CB . 50254 1 588 . 1 . 1 130 130 GLU N N 15 126.902 0.04 . 1 . . . . . 130 GLU N . 50254 1 589 . 1 . 1 131 131 ILE H H 1 8.927 0.00 . 1 . . . . . 131 ILE H . 50254 1 590 . 1 . 1 131 131 ILE C C 13 175.883 0.01 . 1 . . . . . 131 ILE C . 50254 1 591 . 1 . 1 131 131 ILE CA C 13 59.428 0.04 . 1 . . . . . 131 ILE CA . 50254 1 592 . 1 . 1 131 131 ILE CB C 13 36.703 0.05 . 1 . . . . . 131 ILE CB . 50254 1 593 . 1 . 1 131 131 ILE N N 15 126.284 0.03 . 1 . . . . . 131 ILE N . 50254 1 594 . 1 . 1 132 132 ILE H H 1 7.821 0.00 . 1 . . . . . 132 ILE H . 50254 1 595 . 1 . 1 132 132 ILE C C 13 176.234 0.04 . 1 . . . . . 132 ILE C . 50254 1 596 . 1 . 1 132 132 ILE CA C 13 59.918 0.04 . 1 . . . . . 132 ILE CA . 50254 1 597 . 1 . 1 132 132 ILE CB C 13 34.178 0.07 . 1 . . . . . 132 ILE CB . 50254 1 598 . 1 . 1 132 132 ILE N N 15 127.805 0.01 . 1 . . . . . 132 ILE N . 50254 1 599 . 1 . 1 133 133 THR H H 1 8.384 0.01 . 1 . . . . . 133 THR H . 50254 1 600 . 1 . 1 133 133 THR C C 13 174.044 0.00 . 1 . . . . . 133 THR C . 50254 1 601 . 1 . 1 133 133 THR CA C 13 59.656 0.11 . 1 . . . . . 133 THR CA . 50254 1 602 . 1 . 1 133 133 THR CB C 13 71.870 0.01 . 1 . . . . . 133 THR CB . 50254 1 603 . 1 . 1 133 133 THR N N 15 119.824 0.07 . 1 . . . . . 133 THR N . 50254 1 604 . 1 . 1 134 134 ASP H H 1 8.866 0.00 . 1 . . . . . 134 ASP H . 50254 1 605 . 1 . 1 134 134 ASP C C 13 177.141 0.03 . 1 . . . . . 134 ASP C . 50254 1 606 . 1 . 1 134 134 ASP CA C 13 54.060 0.18 . 1 . . . . . 134 ASP CA . 50254 1 607 . 1 . 1 134 134 ASP CB C 13 42.758 0.03 . 1 . . . . . 134 ASP CB . 50254 1 608 . 1 . 1 134 134 ASP N N 15 123.541 0.04 . 1 . . . . . 134 ASP N . 50254 1 609 . 1 . 1 135 135 ARG H H 1 8.977 0.00 . 1 . . . . . 135 ARG H . 50254 1 610 . 1 . 1 135 135 ARG C C 13 177.545 0.02 . 1 . . . . . 135 ARG C . 50254 1 611 . 1 . 1 135 135 ARG CA C 13 58.551 0.05 . 1 . . . . . 135 ARG CA . 50254 1 612 . 1 . 1 135 135 ARG CB C 13 29.982 0.03 . 1 . . . . . 135 ARG CB . 50254 1 613 . 1 . 1 135 135 ARG N N 15 127.794 0.02 . 1 . . . . . 135 ARG N . 50254 1 614 . 1 . 1 136 136 GLN H H 1 8.494 0.00 . 1 . . . . . 136 GLN H . 50254 1 615 . 1 . 1 136 136 GLN C C 13 177.285 0.01 . 1 . . . . . 136 GLN C . 50254 1 616 . 1 . 1 136 136 GLN CA C 13 58.237 0.10 . 1 . . . . . 136 GLN CA . 50254 1 617 . 1 . 1 136 136 GLN CB C 13 29.067 0.07 . 1 . . . . . 136 GLN CB . 50254 1 618 . 1 . 1 136 136 GLN N N 15 117.149 0.01 . 1 . . . . . 136 GLN N . 50254 1 619 . 1 . 1 137 137 SER H H 1 8.314 0.00 . 1 . . . . . 137 SER H . 50254 1 620 . 1 . 1 137 137 SER C C 13 176.315 0.02 . 1 . . . . . 137 SER C . 50254 1 621 . 1 . 1 137 137 SER CA C 13 58.546 0.09 . 1 . . . . . 137 SER CA . 50254 1 622 . 1 . 1 137 137 SER CB C 13 65.636 0.03 . 1 . . . . . 137 SER CB . 50254 1 623 . 1 . 1 137 137 SER N N 15 112.436 0.01 . 1 . . . . . 137 SER N . 50254 1 624 . 1 . 1 138 138 GLY H H 1 8.309 0.00 . 1 . . . . . 138 GLY H . 50254 1 625 . 1 . 1 138 138 GLY C C 13 173.777 0.01 . 1 . . . . . 138 GLY C . 50254 1 626 . 1 . 1 138 138 GLY CA C 13 45.767 0.04 . 1 . . . . . 138 GLY CA . 50254 1 627 . 1 . 1 138 138 GLY N N 15 112.448 0.02 . 1 . . . . . 138 GLY N . 50254 1 628 . 1 . 1 139 139 LYS H H 1 7.797 0.00 . 1 . . . . . 139 LYS H . 50254 1 629 . 1 . 1 139 139 LYS C C 13 177.094 0.03 . 1 . . . . . 139 LYS C . 50254 1 630 . 1 . 1 139 139 LYS CA C 13 56.124 0.09 . 1 . . . . . 139 LYS CA . 50254 1 631 . 1 . 1 139 139 LYS CB C 13 33.353 0.07 . 1 . . . . . 139 LYS CB . 50254 1 632 . 1 . 1 139 139 LYS N N 15 120.076 0.03 . 1 . . . . . 139 LYS N . 50254 1 633 . 1 . 1 140 140 LYS H H 1 9.029 0.00 . 1 . . . . . 140 LYS H . 50254 1 634 . 1 . 1 140 140 LYS C C 13 177.366 0.00 . 1 . . . . . 140 LYS C . 50254 1 635 . 1 . 1 140 140 LYS CA C 13 57.936 0.00 . 1 . . . . . 140 LYS CA . 50254 1 636 . 1 . 1 140 140 LYS CB C 13 33.063 0.00 . 1 . . . . . 140 LYS CB . 50254 1 637 . 1 . 1 140 140 LYS N N 15 124.636 0.02 . 1 . . . . . 140 LYS N . 50254 1 638 . 1 . 1 141 141 ARG C C 13 176.856 0.02 . 1 . . . . . 141 ARG C . 50254 1 639 . 1 . 1 141 141 ARG CA C 13 56.574 0.06 . 1 . . . . . 141 ARG CA . 50254 1 640 . 1 . 1 141 141 ARG CB C 13 30.971 0.00 . 1 . . . . . 141 ARG CB . 50254 1 641 . 1 . 1 142 142 GLY H H 1 9.130 0.01 . 1 . . . . . 142 GLY H . 50254 1 642 . 1 . 1 142 142 GLY C C 13 173.379 0.02 . 1 . . . . . 142 GLY C . 50254 1 643 . 1 . 1 142 142 GLY CA C 13 45.319 0.00 . 1 . . . . . 142 GLY CA . 50254 1 644 . 1 . 1 142 142 GLY N N 15 109.287 0.05 . 1 . . . . . 142 GLY N . 50254 1 645 . 1 . 1 143 143 PHE H H 1 7.364 0.00 . 1 . . . . . 143 PHE H . 50254 1 646 . 1 . 1 143 143 PHE C C 13 172.809 0.02 . 1 . . . . . 143 PHE C . 50254 1 647 . 1 . 1 143 143 PHE CA C 13 55.119 0.04 . 1 . . . . . 143 PHE CA . 50254 1 648 . 1 . 1 143 143 PHE CB C 13 41.747 0.06 . 1 . . . . . 143 PHE CB . 50254 1 649 . 1 . 1 143 143 PHE N N 15 113.451 0.01 . 1 . . . . . 143 PHE N . 50254 1 650 . 1 . 1 144 144 GLY H H 1 8.665 0.00 . 1 . . . . . 144 GLY H . 50254 1 651 . 1 . 1 144 144 GLY C C 13 169.418 0.01 . 1 . . . . . 144 GLY C . 50254 1 652 . 1 . 1 144 144 GLY CA C 13 45.036 0.12 . 1 . . . . . 144 GLY CA . 50254 1 653 . 1 . 1 144 144 GLY N N 15 106.230 0.05 . 1 . . . . . 144 GLY N . 50254 1 654 . 1 . 1 145 145 PHE H H 1 8.975 0.00 . 1 . . . . . 145 PHE H . 50254 1 655 . 1 . 1 145 145 PHE C C 13 175.853 0.00 . 1 . . . . . 145 PHE C . 50254 1 656 . 1 . 1 145 145 PHE CA C 13 55.950 0.00 . 1 . . . . . 145 PHE CA . 50254 1 657 . 1 . 1 145 145 PHE CB C 13 44.126 0.00 . 1 . . . . . 145 PHE CB . 50254 1 658 . 1 . 1 145 145 PHE N N 15 113.194 0.01 . 1 . . . . . 145 PHE N . 50254 1 659 . 1 . 1 146 146 VAL C C 13 174.017 0.00 . 1 . . . . . 146 VAL C . 50254 1 660 . 1 . 1 146 146 VAL CA C 13 61.166 0.04 . 1 . . . . . 146 VAL CA . 50254 1 661 . 1 . 1 146 146 VAL CB C 13 34.616 0.04 . 1 . . . . . 146 VAL CB . 50254 1 662 . 1 . 1 147 147 THR H H 1 8.985 0.00 . 1 . . . . . 147 THR H . 50254 1 663 . 1 . 1 147 147 THR C C 13 174.519 0.05 . 1 . . . . . 147 THR C . 50254 1 664 . 1 . 1 147 147 THR CA C 13 61.541 0.15 . 1 . . . . . 147 THR CA . 50254 1 665 . 1 . 1 147 147 THR CB C 13 69.581 0.14 . 1 . . . . . 147 THR CB . 50254 1 666 . 1 . 1 147 147 THR N N 15 123.169 0.06 . 1 . . . . . 147 THR N . 50254 1 667 . 1 . 1 148 148 PHE H H 1 9.127 0.01 . 1 . . . . . 148 PHE H . 50254 1 668 . 1 . 1 148 148 PHE C C 13 175.225 0.04 . 1 . . . . . 148 PHE C . 50254 1 669 . 1 . 1 148 148 PHE CA C 13 58.063 0.08 . 1 . . . . . 148 PHE CA . 50254 1 670 . 1 . 1 148 148 PHE CB C 13 41.900 0.06 . 1 . . . . . 148 PHE CB . 50254 1 671 . 1 . 1 148 148 PHE N N 15 127.369 0.05 . 1 . . . . . 148 PHE N . 50254 1 672 . 1 . 1 149 149 ASP H H 1 8.247 0.01 . 1 . . . . . 149 ASP H . 50254 1 673 . 1 . 1 149 149 ASP C C 13 175.433 0.03 . 1 . . . . . 149 ASP C . 50254 1 674 . 1 . 1 149 149 ASP CA C 13 55.714 0.07 . 1 . . . . . 149 ASP CA . 50254 1 675 . 1 . 1 149 149 ASP CB C 13 41.662 0.06 . 1 . . . . . 149 ASP CB . 50254 1 676 . 1 . 1 149 149 ASP N N 15 118.853 0.06 . 1 . . . . . 149 ASP N . 50254 1 677 . 1 . 1 150 150 ASP H H 1 7.979 0.01 . 1 . . . . . 150 ASP H . 50254 1 678 . 1 . 1 150 150 ASP C C 13 174.172 0.05 . 1 . . . . . 150 ASP C . 50254 1 679 . 1 . 1 150 150 ASP CA C 13 52.585 0.02 . 1 . . . . . 150 ASP CA . 50254 1 680 . 1 . 1 150 150 ASP CB C 13 45.620 0.00 . 1 . . . . . 150 ASP CB . 50254 1 681 . 1 . 1 150 150 ASP N N 15 117.485 0.03 . 1 . . . . . 150 ASP N . 50254 1 682 . 1 . 1 151 151 HIS H H 1 8.006 0.01 . 1 . . . . . 151 HIS H . 50254 1 683 . 1 . 1 151 151 HIS C C 13 176.552 0.03 . 1 . . . . . 151 HIS C . 50254 1 684 . 1 . 1 151 151 HIS CA C 13 57.185 0.00 . 1 . . . . . 151 HIS CA . 50254 1 685 . 1 . 1 151 151 HIS CB C 13 29.988 0.07 . 1 . . . . . 151 HIS CB . 50254 1 686 . 1 . 1 151 151 HIS N N 15 116.302 0.03 . 1 . . . . . 151 HIS N . 50254 1 687 . 1 . 1 152 152 ASP H H 1 7.897 0.01 . 1 . . . . . 152 ASP H . 50254 1 688 . 1 . 1 152 152 ASP C C 13 177.802 0.00 . 1 . . . . . 152 ASP C . 50254 1 689 . 1 . 1 152 152 ASP CA C 13 59.126 0.00 . 1 . . . . . 152 ASP CA . 50254 1 690 . 1 . 1 152 152 ASP CB C 13 39.915 0.00 . 1 . . . . . 152 ASP CB . 50254 1 691 . 1 . 1 152 152 ASP N N 15 122.696 0.12 . 1 . . . . . 152 ASP N . 50254 1 692 . 1 . 1 154 154 VAL CA C 13 67.080 0.00 . 1 . . . . . 154 VAL CA . 50254 1 693 . 1 . 1 154 154 VAL CB C 13 31.288 0.00 . 1 . . . . . 154 VAL CB . 50254 1 694 . 1 . 1 155 155 ASP H H 1 7.567 0.00 . 1 . . . . . 155 ASP H . 50254 1 695 . 1 . 1 155 155 ASP CA C 13 57.472 0.00 . 1 . . . . . 155 ASP CA . 50254 1 696 . 1 . 1 155 155 ASP CB C 13 40.849 0.00 . 1 . . . . . 155 ASP CB . 50254 1 697 . 1 . 1 155 155 ASP N N 15 117.619 0.05 . 1 . . . . . 155 ASP N . 50254 1 698 . 1 . 1 156 156 LYS C C 13 178.993 0.00 . 1 . . . . . 156 LYS C . 50254 1 699 . 1 . 1 156 156 LYS CA C 13 59.170 0.00 . 1 . . . . . 156 LYS CA . 50254 1 700 . 1 . 1 156 156 LYS CB C 13 32.611 0.07 . 1 . . . . . 156 LYS CB . 50254 1 701 . 1 . 1 157 157 ILE H H 1 8.408 0.00 . 1 . . . . . 157 ILE H . 50254 1 702 . 1 . 1 157 157 ILE C C 13 179.310 0.00 . 1 . . . . . 157 ILE C . 50254 1 703 . 1 . 1 157 157 ILE CA C 13 66.062 0.08 . 1 . . . . . 157 ILE CA . 50254 1 704 . 1 . 1 157 157 ILE CB C 13 38.794 0.00 . 1 . . . . . 157 ILE CB . 50254 1 705 . 1 . 1 157 157 ILE N N 15 121.337 0.02 . 1 . . . . . 157 ILE N . 50254 1 706 . 1 . 1 158 158 VAL H H 1 7.972 0.01 . 1 . . . . . 158 VAL H . 50254 1 707 . 1 . 1 158 158 VAL C C 13 177.445 0.04 . 1 . . . . . 158 VAL C . 50254 1 708 . 1 . 1 158 158 VAL CA C 13 64.564 0.04 . 1 . . . . . 158 VAL CA . 50254 1 709 . 1 . 1 158 158 VAL CB C 13 30.911 0.03 . 1 . . . . . 158 VAL CB . 50254 1 710 . 1 . 1 158 158 VAL N N 15 111.855 0.05 . 1 . . . . . 158 VAL N . 50254 1 711 . 1 . 1 159 159 LEU H H 1 7.416 0.00 . 1 . . . . . 159 LEU H . 50254 1 712 . 1 . 1 159 159 LEU C C 13 177.652 0.01 . 1 . . . . . 159 LEU C . 50254 1 713 . 1 . 1 159 159 LEU CA C 13 57.124 0.04 . 1 . . . . . 159 LEU CA . 50254 1 714 . 1 . 1 159 159 LEU CB C 13 42.166 0.02 . 1 . . . . . 159 LEU CB . 50254 1 715 . 1 . 1 159 159 LEU N N 15 121.513 0.05 . 1 . . . . . 159 LEU N . 50254 1 716 . 1 . 1 160 160 GLN H H 1 7.763 0.00 . 1 . . . . . 160 GLN H . 50254 1 717 . 1 . 1 160 160 GLN C C 13 175.968 0.00 . 1 . . . . . 160 GLN C . 50254 1 718 . 1 . 1 160 160 GLN CA C 13 53.343 0.00 . 1 . . . . . 160 GLN CA . 50254 1 719 . 1 . 1 160 160 GLN CB C 13 30.020 0.00 . 1 . . . . . 160 GLN CB . 50254 1 720 . 1 . 1 160 160 GLN N N 15 118.460 0.08 . 1 . . . . . 160 GLN N . 50254 1 721 . 1 . 1 162 162 TYR C C 13 175.252 0.01 . 1 . . . . . 162 TYR C . 50254 1 722 . 1 . 1 162 162 TYR CA C 13 56.570 0.07 . 1 . . . . . 162 TYR CA . 50254 1 723 . 1 . 1 162 162 TYR CB C 13 39.741 0.07 . 1 . . . . . 162 TYR CB . 50254 1 724 . 1 . 1 163 163 HIS H H 1 8.975 0.00 . 1 . . . . . 163 HIS H . 50254 1 725 . 1 . 1 163 163 HIS C C 13 173.870 0.04 . 1 . . . . . 163 HIS C . 50254 1 726 . 1 . 1 163 163 HIS CA C 13 55.449 0.14 . 1 . . . . . 163 HIS CA . 50254 1 727 . 1 . 1 163 163 HIS CB C 13 34.718 0.04 . 1 . . . . . 163 HIS CB . 50254 1 728 . 1 . 1 163 163 HIS N N 15 123.437 0.07 . 1 . . . . . 163 HIS N . 50254 1 729 . 1 . 1 164 164 THR H H 1 8.913 0.00 . 1 . . . . . 164 THR H . 50254 1 730 . 1 . 1 164 164 THR C C 13 173.375 0.04 . 1 . . . . . 164 THR C . 50254 1 731 . 1 . 1 164 164 THR CA C 13 61.634 0.05 . 1 . . . . . 164 THR CA . 50254 1 732 . 1 . 1 164 164 THR CB C 13 68.730 0.06 . 1 . . . . . 164 THR CB . 50254 1 733 . 1 . 1 164 164 THR N N 15 122.071 0.05 . 1 . . . . . 164 THR N . 50254 1 734 . 1 . 1 165 165 ILE H H 1 8.428 0.00 . 1 . . . . . 165 ILE H . 50254 1 735 . 1 . 1 165 165 ILE C C 13 175.799 0.02 . 1 . . . . . 165 ILE C . 50254 1 736 . 1 . 1 165 165 ILE CA C 13 59.861 0.03 . 1 . . . . . 165 ILE CA . 50254 1 737 . 1 . 1 165 165 ILE CB C 13 41.020 0.06 . 1 . . . . . 165 ILE CB . 50254 1 738 . 1 . 1 165 165 ILE N N 15 125.377 0.03 . 1 . . . . . 165 ILE N . 50254 1 739 . 1 . 1 166 166 ASN H H 1 9.671 0.00 . 1 . . . . . 166 ASN H . 50254 1 740 . 1 . 1 166 166 ASN C C 13 174.097 0.01 . 1 . . . . . 166 ASN C . 50254 1 741 . 1 . 1 166 166 ASN CA C 13 53.153 0.05 . 1 . . . . . 166 ASN CA . 50254 1 742 . 1 . 1 166 166 ASN CB C 13 37.288 0.03 . 1 . . . . . 166 ASN CB . 50254 1 743 . 1 . 1 166 166 ASN N N 15 127.254 0.03 . 1 . . . . . 166 ASN N . 50254 1 744 . 1 . 1 167 167 GLY H H 1 8.286 0.00 . 1 . . . . . 167 GLY H . 50254 1 745 . 1 . 1 167 167 GLY C C 13 173.381 0.03 . 1 . . . . . 167 GLY C . 50254 1 746 . 1 . 1 167 167 GLY CA C 13 45.077 0.08 . 1 . . . . . 167 GLY CA . 50254 1 747 . 1 . 1 167 167 GLY N N 15 100.466 0.01 . 1 . . . . . 167 GLY N . 50254 1 748 . 1 . 1 168 168 HIS H H 1 7.764 0.00 . 1 . . . . . 168 HIS H . 50254 1 749 . 1 . 1 168 168 HIS C C 13 173.740 0.00 . 1 . . . . . 168 HIS C . 50254 1 750 . 1 . 1 168 168 HIS CA C 13 56.195 0.00 . 1 . . . . . 168 HIS CA . 50254 1 751 . 1 . 1 168 168 HIS CB C 13 30.440 0.00 . 1 . . . . . 168 HIS CB . 50254 1 752 . 1 . 1 168 168 HIS N N 15 118.349 0.08 . 1 . . . . . 168 HIS N . 50254 1 753 . 1 . 1 169 169 ASN C C 13 173.276 0.02 . 1 . . . . . 169 ASN C . 50254 1 754 . 1 . 1 169 169 ASN CA C 13 53.247 0.04 . 1 . . . . . 169 ASN CA . 50254 1 755 . 1 . 1 169 169 ASN CB C 13 37.327 0.04 . 1 . . . . . 169 ASN CB . 50254 1 756 . 1 . 1 170 170 ALA H H 1 8.850 0.00 . 1 . . . . . 170 ALA H . 50254 1 757 . 1 . 1 170 170 ALA C C 13 176.210 0.05 . 1 . . . . . 170 ALA C . 50254 1 758 . 1 . 1 170 170 ALA CA C 13 51.762 0.07 . 1 . . . . . 170 ALA CA . 50254 1 759 . 1 . 1 170 170 ALA CB C 13 20.684 0.04 . 1 . . . . . 170 ALA CB . 50254 1 760 . 1 . 1 170 170 ALA N N 15 131.505 0.01 . 1 . . . . . 170 ALA N . 50254 1 761 . 1 . 1 171 171 GLU H H 1 8.104 0.00 . 1 . . . . . 171 GLU H . 50254 1 762 . 1 . 1 171 171 GLU C C 13 175.247 0.04 . 1 . . . . . 171 GLU C . 50254 1 763 . 1 . 1 171 171 GLU CA C 13 54.639 0.09 . 1 . . . . . 171 GLU CA . 50254 1 764 . 1 . 1 171 171 GLU CB C 13 32.103 0.15 . 1 . . . . . 171 GLU CB . 50254 1 765 . 1 . 1 171 171 GLU N N 15 122.509 0.06 . 1 . . . . . 171 GLU N . 50254 1 766 . 1 . 1 172 172 VAL H H 1 8.562 0.00 . 1 . . . . . 172 VAL H . 50254 1 767 . 1 . 1 172 172 VAL C C 13 175.769 0.01 . 1 . . . . . 172 VAL C . 50254 1 768 . 1 . 1 172 172 VAL CA C 13 58.912 0.08 . 1 . . . . . 172 VAL CA . 50254 1 769 . 1 . 1 172 172 VAL CB C 13 34.360 0.08 . 1 . . . . . 172 VAL CB . 50254 1 770 . 1 . 1 172 172 VAL N N 15 119.049 0.06 . 1 . . . . . 172 VAL N . 50254 1 771 . 1 . 1 173 173 ARG H H 1 8.742 0.00 . 1 . . . . . 173 ARG H . 50254 1 772 . 1 . 1 173 173 ARG C C 13 175.155 0.01 . 1 . . . . . 173 ARG C . 50254 1 773 . 1 . 1 173 173 ARG CA C 13 54.750 0.03 . 1 . . . . . 173 ARG CA . 50254 1 774 . 1 . 1 173 173 ARG CB C 13 34.079 0.12 . 1 . . . . . 173 ARG CB . 50254 1 775 . 1 . 1 173 173 ARG N N 15 118.278 0.02 . 1 . . . . . 173 ARG N . 50254 1 776 . 1 . 1 174 174 LYS H H 1 8.992 0.00 . 1 . . . . . 174 LYS H . 50254 1 777 . 1 . 1 174 174 LYS C C 13 176.174 0.01 . 1 . . . . . 174 LYS C . 50254 1 778 . 1 . 1 174 174 LYS CA C 13 59.043 0.14 . 1 . . . . . 174 LYS CA . 50254 1 779 . 1 . 1 174 174 LYS CB C 13 33.200 0.05 . 1 . . . . . 174 LYS CB . 50254 1 780 . 1 . 1 174 174 LYS N N 15 121.692 0.01 . 1 . . . . . 174 LYS N . 50254 1 781 . 1 . 1 175 175 ALA H H 1 8.403 0.01 . 1 . . . . . 175 ALA H . 50254 1 782 . 1 . 1 175 175 ALA C C 13 175.510 0.03 . 1 . . . . . 175 ALA C . 50254 1 783 . 1 . 1 175 175 ALA CA C 13 51.610 0.12 . 1 . . . . . 175 ALA CA . 50254 1 784 . 1 . 1 175 175 ALA CB C 13 19.002 0.06 . 1 . . . . . 175 ALA CB . 50254 1 785 . 1 . 1 175 175 ALA N N 15 126.871 0.04 . 1 . . . . . 175 ALA N . 50254 1 786 . 1 . 1 176 176 LEU H H 1 8.056 0.01 . 1 . . . . . 176 LEU H . 50254 1 787 . 1 . 1 176 176 LEU C C 13 177.436 0.03 . 1 . . . . . 176 LEU C . 50254 1 788 . 1 . 1 176 176 LEU CA C 13 54.775 0.05 . 1 . . . . . 176 LEU CA . 50254 1 789 . 1 . 1 176 176 LEU CB C 13 43.222 0.01 . 1 . . . . . 176 LEU CB . 50254 1 790 . 1 . 1 176 176 LEU N N 15 122.785 0.04 . 1 . . . . . 176 LEU N . 50254 1 791 . 1 . 1 177 177 SER H H 1 8.615 0.00 . 1 . . . . . 177 SER H . 50254 1 792 . 1 . 1 177 177 SER C C 13 174.656 0.00 . 1 . . . . . 177 SER C . 50254 1 793 . 1 . 1 177 177 SER CA C 13 58.063 0.00 . 1 . . . . . 177 SER CA . 50254 1 794 . 1 . 1 177 177 SER CB C 13 64.403 0.00 . 1 . . . . . 177 SER CB . 50254 1 795 . 1 . 1 177 177 SER N N 15 117.178 0.02 . 1 . . . . . 177 SER N . 50254 1 796 . 1 . 1 178 178 ARG C C 13 176.852 0.01 . 1 . . . . . 178 ARG C . 50254 1 797 . 1 . 1 178 178 ARG CA C 13 56.704 0.04 . 1 . . . . . 178 ARG CA . 50254 1 798 . 1 . 1 178 178 ARG CB C 13 30.884 0.00 . 1 . . . . . 178 ARG CB . 50254 1 799 . 1 . 1 179 179 GLN H H 1 8.480 0.00 . 1 . . . . . 179 GLN H . 50254 1 800 . 1 . 1 179 179 GLN C C 13 177.197 0.01 . 1 . . . . . 179 GLN C . 50254 1 801 . 1 . 1 179 179 GLN CA C 13 56.834 0.11 . 1 . . . . . 179 GLN CA . 50254 1 802 . 1 . 1 179 179 GLN CB C 13 30.427 0.07 . 1 . . . . . 179 GLN CB . 50254 1 803 . 1 . 1 179 179 GLN N N 15 120.848 0.02 . 1 . . . . . 179 GLN N . 50254 1 804 . 1 . 1 180 180 GLU H H 1 8.430 0.00 . 1 . . . . . 180 GLU H . 50254 1 805 . 1 . 1 180 180 GLU C C 13 177.935 0.00 . 1 . . . . . 180 GLU C . 50254 1 806 . 1 . 1 180 180 GLU CA C 13 57.542 0.00 . 1 . . . . . 180 GLU CA . 50254 1 807 . 1 . 1 180 180 GLU CB C 13 32.775 0.00 . 1 . . . . . 180 GLU CB . 50254 1 808 . 1 . 1 180 180 GLU N N 15 121.800 0.04 . 1 . . . . . 180 GLU N . 50254 1 809 . 1 . 1 181 181 MET C C 13 176.273 0.01 . 1 . . . . . 181 MET C . 50254 1 810 . 1 . 1 181 181 MET CA C 13 55.818 0.02 . 1 . . . . . 181 MET CA . 50254 1 811 . 1 . 1 181 181 MET CB C 13 32.605 0.11 . 1 . . . . . 181 MET CB . 50254 1 812 . 1 . 1 182 182 GLN H H 1 8.517 0.00 . 1 . . . . . 182 GLN H . 50254 1 813 . 1 . 1 182 182 GLN C C 13 176.856 0.05 . 1 . . . . . 182 GLN C . 50254 1 814 . 1 . 1 182 182 GLN CA C 13 57.018 0.04 . 1 . . . . . 182 GLN CA . 50254 1 815 . 1 . 1 182 182 GLN CB C 13 30.759 0.16 . 1 . . . . . 182 GLN CB . 50254 1 816 . 1 . 1 182 182 GLN N N 15 122.442 0.06 . 1 . . . . . 182 GLN N . 50254 1 817 . 1 . 1 183 183 GLU H H 1 8.673 0.00 . 1 . . . . . 183 GLU H . 50254 1 818 . 1 . 1 183 183 GLU C C 13 176.791 0.03 . 1 . . . . . 183 GLU C . 50254 1 819 . 1 . 1 183 183 GLU CA C 13 57.061 0.02 . 1 . . . . . 183 GLU CA . 50254 1 820 . 1 . 1 183 183 GLU CB C 13 30.134 0.14 . 1 . . . . . 183 GLU CB . 50254 1 821 . 1 . 1 183 183 GLU N N 15 121.231 0.01 . 1 . . . . . 183 GLU N . 50254 1 822 . 1 . 1 184 184 VAL H H 1 8.103 0.00 . 1 . . . . . 184 VAL H . 50254 1 823 . 1 . 1 184 184 VAL C C 13 176.504 0.02 . 1 . . . . . 184 VAL C . 50254 1 824 . 1 . 1 184 184 VAL CA C 13 62.889 0.09 . 1 . . . . . 184 VAL CA . 50254 1 825 . 1 . 1 184 184 VAL CB C 13 32.604 0.03 . 1 . . . . . 184 VAL CB . 50254 1 826 . 1 . 1 184 184 VAL N N 15 120.732 0.02 . 1 . . . . . 184 VAL N . 50254 1 827 . 1 . 1 185 185 GLN H H 1 8.395 0.00 . 1 . . . . . 185 GLN H . 50254 1 828 . 1 . 1 185 185 GLN C C 13 176.225 0.01 . 1 . . . . . 185 GLN C . 50254 1 829 . 1 . 1 185 185 GLN CA C 13 56.189 0.10 . 1 . . . . . 185 GLN CA . 50254 1 830 . 1 . 1 185 185 GLN CB C 13 29.383 0.08 . 1 . . . . . 185 GLN CB . 50254 1 831 . 1 . 1 185 185 GLN N N 15 123.486 0.01 . 1 . . . . . 185 GLN N . 50254 1 832 . 1 . 1 186 186 SER H H 1 8.339 0.00 . 1 . . . . . 186 SER H . 50254 1 833 . 1 . 1 186 186 SER C C 13 174.649 0.02 . 1 . . . . . 186 SER C . 50254 1 834 . 1 . 1 186 186 SER CA C 13 58.615 0.08 . 1 . . . . . 186 SER CA . 50254 1 835 . 1 . 1 186 186 SER CB C 13 63.826 0.02 . 1 . . . . . 186 SER CB . 50254 1 836 . 1 . 1 186 186 SER N N 15 117.072 0.02 . 1 . . . . . 186 SER N . 50254 1 837 . 1 . 1 187 187 SER H H 1 8.324 0.01 . 1 . . . . . 187 SER H . 50254 1 838 . 1 . 1 187 187 SER C C 13 174.401 0.01 . 1 . . . . . 187 SER C . 50254 1 839 . 1 . 1 187 187 SER CA C 13 58.577 0.14 . 1 . . . . . 187 SER CA . 50254 1 840 . 1 . 1 187 187 SER CB C 13 63.802 0.02 . 1 . . . . . 187 SER CB . 50254 1 841 . 1 . 1 187 187 SER N N 15 117.581 0.17 . 1 . . . . . 187 SER N . 50254 1 842 . 1 . 1 188 188 ARG H H 1 8.313 0.00 . 1 . . . . . 188 ARG H . 50254 1 843 . 1 . 1 188 188 ARG C C 13 175.519 0.01 . 1 . . . . . 188 ARG C . 50254 1 844 . 1 . 1 188 188 ARG CA C 13 56.165 0.08 . 1 . . . . . 188 ARG CA . 50254 1 845 . 1 . 1 188 188 ARG CB C 13 30.929 0.00 . 1 . . . . . 188 ARG CB . 50254 1 846 . 1 . 1 188 188 ARG N N 15 123.142 0.02 . 1 . . . . . 188 ARG N . 50254 1 847 . 1 . 1 189 189 SER H H 1 7.982 0.00 . 1 . . . . . 189 SER H . 50254 1 848 . 1 . 1 189 189 SER C C 13 178.676 0.00 . 1 . . . . . 189 SER C . 50254 1 849 . 1 . 1 189 189 SER CA C 13 60.075 0.00 . 1 . . . . . 189 SER CA . 50254 1 850 . 1 . 1 189 189 SER CB C 13 64.941 0.00 . 1 . . . . . 189 SER CB . 50254 1 851 . 1 . 1 189 189 SER N N 15 122.691 0.01 . 1 . . . . . 189 SER N . 50254 1 stop_ save_