data_51977 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51977 _Entry.Title ; Phosphorylated Ser118 (pS118) of ER-NTD: 1H, 15N, and 13C (13CA, 13CB and 13C') chemical shift assignments ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-05-24 _Entry.Accession_date 2023-05-24 _Entry.Last_release_date 2023-05-24 _Entry.Original_release_date 2023-05-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'pS118 of ER-NTD' _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 Sichun Yang . . . 0000-0002-1726-0576 51977 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51977 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 494 51977 '15N chemical shifts' 156 51977 '1H chemical shifts' 156 51977 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-12-09 . original BMRB . 51977 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51972 'chemical shift assignments for wild type ER-NTD' 51977 BMRB 51976 'chemical shift assignments for Phosphomimetic mutant ER-NTD (S118D)' 51977 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51977 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI 10.1038/s41586-024-08400-1 _Citation.Full_citation . _Citation.Title ; 1H, 15N, and 13C (13CA, 13CB and 13C') chemical shift assignments for wild type ER-NTD ; _Citation.Status accepted _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sichun Yang . . . . 51977 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51977 _Assembly.ID 1 _Assembly.Name 'pS118 ER-NTD' _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 'pS118 ER-NTD' 1 $entity_1 . . yes native no no . . . 51977 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'phosphorylated Ser118 for ER activation function in the absence of activating hormones' 51977 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51977 _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 ; MTMTLHTKASGMALLHQIQG NELEPLNRPQLKIPLERPLG EVYLDSSKPAVYNYPEGAAY EFNAAAAANAQVYGQTGLPY GPGSEAAAFGSNGLGGFPPL NSVSPSPLMLLHPPPQLXPF LQPHGQQVPYYLENEPSGYT VREAGPPAFYRPNSDNRRQG GRERLASTNDKGSMAMESAK ETRY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 184 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P03372 . 'Estrogen receptor ESR1' . . . . . . . . . . . . . . 51977 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'phosphorylated Ser118 for ER activation function in the absence of activating hormones' 51977 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 51977 1 2 . THR . 51977 1 3 . MET . 51977 1 4 . THR . 51977 1 5 . LEU . 51977 1 6 . HIS . 51977 1 7 . THR . 51977 1 8 . LYS . 51977 1 9 . ALA . 51977 1 10 . SER . 51977 1 11 . GLY . 51977 1 12 . MET . 51977 1 13 . ALA . 51977 1 14 . LEU . 51977 1 15 . LEU . 51977 1 16 . HIS . 51977 1 17 . GLN . 51977 1 18 . ILE . 51977 1 19 . GLN . 51977 1 20 . GLY . 51977 1 21 . ASN . 51977 1 22 . GLU . 51977 1 23 . LEU . 51977 1 24 . GLU . 51977 1 25 . PRO . 51977 1 26 . LEU . 51977 1 27 . ASN . 51977 1 28 . ARG . 51977 1 29 . PRO . 51977 1 30 . GLN . 51977 1 31 . LEU . 51977 1 32 . LYS . 51977 1 33 . ILE . 51977 1 34 . PRO . 51977 1 35 . LEU . 51977 1 36 . GLU . 51977 1 37 . ARG . 51977 1 38 . PRO . 51977 1 39 . LEU . 51977 1 40 . GLY . 51977 1 41 . GLU . 51977 1 42 . VAL . 51977 1 43 . TYR . 51977 1 44 . LEU . 51977 1 45 . ASP . 51977 1 46 . SER . 51977 1 47 . SER . 51977 1 48 . LYS . 51977 1 49 . PRO . 51977 1 50 . ALA . 51977 1 51 . VAL . 51977 1 52 . TYR . 51977 1 53 . ASN . 51977 1 54 . TYR . 51977 1 55 . PRO . 51977 1 56 . GLU . 51977 1 57 . GLY . 51977 1 58 . ALA . 51977 1 59 . ALA . 51977 1 60 . TYR . 51977 1 61 . GLU . 51977 1 62 . PHE . 51977 1 63 . ASN . 51977 1 64 . ALA . 51977 1 65 . ALA . 51977 1 66 . ALA . 51977 1 67 . ALA . 51977 1 68 . ALA . 51977 1 69 . ASN . 51977 1 70 . ALA . 51977 1 71 . GLN . 51977 1 72 . VAL . 51977 1 73 . TYR . 51977 1 74 . GLY . 51977 1 75 . GLN . 51977 1 76 . THR . 51977 1 77 . GLY . 51977 1 78 . LEU . 51977 1 79 . PRO . 51977 1 80 . TYR . 51977 1 81 . GLY . 51977 1 82 . PRO . 51977 1 83 . GLY . 51977 1 84 . SER . 51977 1 85 . GLU . 51977 1 86 . ALA . 51977 1 87 . ALA . 51977 1 88 . ALA . 51977 1 89 . PHE . 51977 1 90 . GLY . 51977 1 91 . SER . 51977 1 92 . ASN . 51977 1 93 . GLY . 51977 1 94 . LEU . 51977 1 95 . GLY . 51977 1 96 . GLY . 51977 1 97 . PHE . 51977 1 98 . PRO . 51977 1 99 . PRO . 51977 1 100 . LEU . 51977 1 101 . ASN . 51977 1 102 . SER . 51977 1 103 . VAL . 51977 1 104 . SER . 51977 1 105 . PRO . 51977 1 106 . SER . 51977 1 107 . PRO . 51977 1 108 . LEU . 51977 1 109 . MET . 51977 1 110 . LEU . 51977 1 111 . LEU . 51977 1 112 . HIS . 51977 1 113 . PRO . 51977 1 114 . PRO . 51977 1 115 . PRO . 51977 1 116 . GLN . 51977 1 117 . LEU . 51977 1 118 . SEP . 51977 1 119 . PRO . 51977 1 120 . PHE . 51977 1 121 . LEU . 51977 1 122 . GLN . 51977 1 123 . PRO . 51977 1 124 . HIS . 51977 1 125 . GLY . 51977 1 126 . GLN . 51977 1 127 . GLN . 51977 1 128 . VAL . 51977 1 129 . PRO . 51977 1 130 . TYR . 51977 1 131 . TYR . 51977 1 132 . LEU . 51977 1 133 . GLU . 51977 1 134 . ASN . 51977 1 135 . GLU . 51977 1 136 . PRO . 51977 1 137 . SER . 51977 1 138 . GLY . 51977 1 139 . TYR . 51977 1 140 . THR . 51977 1 141 . VAL . 51977 1 142 . ARG . 51977 1 143 . GLU . 51977 1 144 . ALA . 51977 1 145 . GLY . 51977 1 146 . PRO . 51977 1 147 . PRO . 51977 1 148 . ALA . 51977 1 149 . PHE . 51977 1 150 . TYR . 51977 1 151 . ARG . 51977 1 152 . PRO . 51977 1 153 . ASN . 51977 1 154 . SER . 51977 1 155 . ASP . 51977 1 156 . ASN . 51977 1 157 . ARG . 51977 1 158 . ARG . 51977 1 159 . GLN . 51977 1 160 . GLY . 51977 1 161 . GLY . 51977 1 162 . ARG . 51977 1 163 . GLU . 51977 1 164 . ARG . 51977 1 165 . LEU . 51977 1 166 . ALA . 51977 1 167 . SER . 51977 1 168 . THR . 51977 1 169 . ASN . 51977 1 170 . ASP . 51977 1 171 . LYS . 51977 1 172 . GLY . 51977 1 173 . SER . 51977 1 174 . MET . 51977 1 175 . ALA . 51977 1 176 . MET . 51977 1 177 . GLU . 51977 1 178 . SER . 51977 1 179 . ALA . 51977 1 180 . LYS . 51977 1 181 . GLU . 51977 1 182 . THR . 51977 1 183 . ARG . 51977 1 184 . TYR . 51977 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 51977 1 . THR 2 2 51977 1 . MET 3 3 51977 1 . THR 4 4 51977 1 . LEU 5 5 51977 1 . HIS 6 6 51977 1 . THR 7 7 51977 1 . LYS 8 8 51977 1 . ALA 9 9 51977 1 . SER 10 10 51977 1 . GLY 11 11 51977 1 . MET 12 12 51977 1 . ALA 13 13 51977 1 . LEU 14 14 51977 1 . LEU 15 15 51977 1 . HIS 16 16 51977 1 . GLN 17 17 51977 1 . ILE 18 18 51977 1 . GLN 19 19 51977 1 . GLY 20 20 51977 1 . ASN 21 21 51977 1 . GLU 22 22 51977 1 . LEU 23 23 51977 1 . GLU 24 24 51977 1 . PRO 25 25 51977 1 . LEU 26 26 51977 1 . ASN 27 27 51977 1 . ARG 28 28 51977 1 . PRO 29 29 51977 1 . GLN 30 30 51977 1 . LEU 31 31 51977 1 . LYS 32 32 51977 1 . ILE 33 33 51977 1 . PRO 34 34 51977 1 . LEU 35 35 51977 1 . GLU 36 36 51977 1 . ARG 37 37 51977 1 . PRO 38 38 51977 1 . LEU 39 39 51977 1 . GLY 40 40 51977 1 . GLU 41 41 51977 1 . VAL 42 42 51977 1 . TYR 43 43 51977 1 . LEU 44 44 51977 1 . ASP 45 45 51977 1 . SER 46 46 51977 1 . SER 47 47 51977 1 . LYS 48 48 51977 1 . PRO 49 49 51977 1 . ALA 50 50 51977 1 . VAL 51 51 51977 1 . TYR 52 52 51977 1 . ASN 53 53 51977 1 . TYR 54 54 51977 1 . PRO 55 55 51977 1 . GLU 56 56 51977 1 . GLY 57 57 51977 1 . ALA 58 58 51977 1 . ALA 59 59 51977 1 . TYR 60 60 51977 1 . GLU 61 61 51977 1 . PHE 62 62 51977 1 . ASN 63 63 51977 1 . ALA 64 64 51977 1 . ALA 65 65 51977 1 . ALA 66 66 51977 1 . ALA 67 67 51977 1 . ALA 68 68 51977 1 . ASN 69 69 51977 1 . ALA 70 70 51977 1 . GLN 71 71 51977 1 . VAL 72 72 51977 1 . TYR 73 73 51977 1 . GLY 74 74 51977 1 . GLN 75 75 51977 1 . THR 76 76 51977 1 . GLY 77 77 51977 1 . LEU 78 78 51977 1 . PRO 79 79 51977 1 . TYR 80 80 51977 1 . GLY 81 81 51977 1 . PRO 82 82 51977 1 . GLY 83 83 51977 1 . SER 84 84 51977 1 . GLU 85 85 51977 1 . ALA 86 86 51977 1 . ALA 87 87 51977 1 . ALA 88 88 51977 1 . PHE 89 89 51977 1 . GLY 90 90 51977 1 . SER 91 91 51977 1 . ASN 92 92 51977 1 . GLY 93 93 51977 1 . LEU 94 94 51977 1 . GLY 95 95 51977 1 . GLY 96 96 51977 1 . PHE 97 97 51977 1 . PRO 98 98 51977 1 . PRO 99 99 51977 1 . LEU 100 100 51977 1 . ASN 101 101 51977 1 . SER 102 102 51977 1 . VAL 103 103 51977 1 . SER 104 104 51977 1 . PRO 105 105 51977 1 . SER 106 106 51977 1 . PRO 107 107 51977 1 . LEU 108 108 51977 1 . MET 109 109 51977 1 . LEU 110 110 51977 1 . LEU 111 111 51977 1 . HIS 112 112 51977 1 . PRO 113 113 51977 1 . PRO 114 114 51977 1 . PRO 115 115 51977 1 . GLN 116 116 51977 1 . LEU 117 117 51977 1 . SEP 118 118 51977 1 . PRO 119 119 51977 1 . PHE 120 120 51977 1 . LEU 121 121 51977 1 . GLN 122 122 51977 1 . PRO 123 123 51977 1 . HIS 124 124 51977 1 . GLY 125 125 51977 1 . GLN 126 126 51977 1 . GLN 127 127 51977 1 . VAL 128 128 51977 1 . PRO 129 129 51977 1 . TYR 130 130 51977 1 . TYR 131 131 51977 1 . LEU 132 132 51977 1 . GLU 133 133 51977 1 . ASN 134 134 51977 1 . GLU 135 135 51977 1 . PRO 136 136 51977 1 . SER 137 137 51977 1 . GLY 138 138 51977 1 . TYR 139 139 51977 1 . THR 140 140 51977 1 . VAL 141 141 51977 1 . ARG 142 142 51977 1 . GLU 143 143 51977 1 . ALA 144 144 51977 1 . GLY 145 145 51977 1 . PRO 146 146 51977 1 . PRO 147 147 51977 1 . ALA 148 148 51977 1 . PHE 149 149 51977 1 . TYR 150 150 51977 1 . ARG 151 151 51977 1 . PRO 152 152 51977 1 . ASN 153 153 51977 1 . SER 154 154 51977 1 . ASP 155 155 51977 1 . ASN 156 156 51977 1 . ARG 157 157 51977 1 . ARG 158 158 51977 1 . GLN 159 159 51977 1 . GLY 160 160 51977 1 . GLY 161 161 51977 1 . ARG 162 162 51977 1 . GLU 163 163 51977 1 . ARG 164 164 51977 1 . LEU 165 165 51977 1 . ALA 166 166 51977 1 . SER 167 167 51977 1 . THR 168 168 51977 1 . ASN 169 169 51977 1 . ASP 170 170 51977 1 . LYS 171 171 51977 1 . GLY 172 172 51977 1 . SER 173 173 51977 1 . MET 174 174 51977 1 . ALA 175 175 51977 1 . MET 176 176 51977 1 . GLU 177 177 51977 1 . SER 178 178 51977 1 . ALA 179 179 51977 1 . LYS 180 180 51977 1 . GLU 181 181 51977 1 . THR 182 182 51977 1 . ARG 183 183 51977 1 . TYR 184 184 51977 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 51977 _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 . . . . . . . . . . . . 'Homo sapiens' 51977 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 51977 _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 . . pMCSG7 . . . 51977 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_SEP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_SEP _Chem_comp.Entry_ID 51977 _Chem_comp.ID SEP _Chem_comp.Provenance PDB _Chem_comp.Name PHOSPHOSERINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code SEP _Chem_comp.PDB_code SEP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code S _Chem_comp.Three_letter_code SEP _Chem_comp.Number_atoms_all 19 _Chem_comp.Number_atoms_nh 11 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID SER _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms PHOSPHONOSERINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C3 H8 N O6 P' _Chem_comp.Formula_weight 185.072 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1BX6 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BZQFBWGGLXLEPQ-REOHCLBHSA-N InChIKey InChI 1.03 51977 SEP C(C(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 51977 SEP C([C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 51977 SEP InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 InChI InChI 1.03 51977 SEP N[C@@H](CO[P](O)(O)=O)C(O)=O SMILES_CANONICAL CACTVS 3.341 51977 SEP N[CH](CO[P](O)(O)=O)C(O)=O SMILES CACTVS 3.341 51977 SEP O=P(O)(O)OCC(C(=O)O)N SMILES ACDLabs 10.04 51977 SEP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-amino-3-phosphonooxy-propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 51977 SEP O-phosphono-L-serine 'SYSTEMATIC NAME' ACDLabs 10.04 51977 SEP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 N N . . . . 12.751 . 44.134 . -4.949 . 1.855 0.421 1.751 1 . 51977 SEP CA CA CA CA . C . . S 0 . . . 1 N N . . . . 12.373 . 44.600 . -6.265 . 0.401 0.620 1.687 2 . 51977 SEP CB CB CB CB . C . . N 0 . . . 1 N N . . . . 11.077 . 45.353 . -6.305 . -0.139 0.015 0.391 3 . 51977 SEP OG OG OG OG . O . . N 0 . . . 1 N N . . . . 10.895 . 45.809 . -7.608 . 0.477 0.655 -0.727 4 . 51977 SEP C C C C . C . . N 0 . . . 1 N N . . . . 13.435 . 45.364 . -6.941 . -0.249 -0.053 2.867 5 . 51977 SEP O O O O . O . . N 0 . . . 1 N N . . . . 14.373 . 45.871 . -6.303 . 0.254 -1.038 3.354 6 . 51977 SEP OXT OXT OXT OXT . O . . N 0 . . . 1 N Y . . . . 13.281 . 45.410 . -8.244 . -1.389 0.439 3.377 7 . 51977 SEP P P P P . P . . N 0 . . . 1 N N . . . . 9.607 . 45.328 . -8.384 . -0.135 -0.027 -2.050 8 . 51977 SEP O1P O1P O1P O1P . O . . N 0 . . . 1 N N . . . . 9.500 . 46.086 . -9.633 . -1.601 0.172 -2.074 9 . 51977 SEP O2P O2P O2P O2P . O . . N 0 . . . 1 N N . . . . 9.829 . 43.907 . -8.669 . 0.520 0.649 -3.356 10 . 51977 SEP O3P O3P O3P O3P . O . . N 0 . . . 1 N N . . . . 8.402 . 45.541 . -7.535 . 0.191 -1.603 -2.041 11 . 51977 SEP H H H H . H . . N 0 . . . 1 N N . . . . 13.632 . 43.621 . -4.921 . 2.237 0.796 0.895 12 . 51977 SEP H2 H2 H2 2HN . H . . N 0 . . . 1 N Y . . . . 12.001 . 43.575 . -4.540 . 2.013 -0.574 1.727 13 . 51977 SEP HA HA HA HA . H . . N 0 . . . 1 N N . . . . 12.213 . 43.656 . -6.837 . 0.179 1.687 1.711 14 . 51977 SEP HB2 HB2 HB2 1HB . H . . N 0 . . . 1 N N . . . . 10.214 . 44.753 . -5.930 . 0.082 -1.051 0.367 15 . 51977 SEP HB3 HB3 HB3 2HB . H . . N 0 . . . 1 N N . . . . 11.026 . 46.170 . -5.548 . -1.218 0.163 0.344 16 . 51977 SEP HXT HXT HXT HXT . H . . N 0 . . . 1 N Y . . . . 13.966 . 45.902 . -8.680 . -1.807 0.006 4.134 17 . 51977 SEP HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 N N . . . . 9.054 . 43.617 . -9.135 . 0.127 0.212 -4.124 18 . 51977 SEP HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 N N . . . . 7.627 . 45.251 . -8.001 . 1.154 -1.689 -2.025 19 . 51977 SEP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA N N 1 . 51977 SEP 2 . SING N H N N 2 . 51977 SEP 3 . SING N H2 N N 3 . 51977 SEP 4 . SING CA CB N N 4 . 51977 SEP 5 . SING CA C N N 5 . 51977 SEP 6 . SING CA HA N N 6 . 51977 SEP 7 . SING CB OG N N 7 . 51977 SEP 8 . SING CB HB2 N N 8 . 51977 SEP 9 . SING CB HB3 N N 9 . 51977 SEP 10 . SING OG P N N 10 . 51977 SEP 11 . DOUB C O N N 11 . 51977 SEP 12 . SING C OXT N N 12 . 51977 SEP 13 . SING OXT HXT N N 13 . 51977 SEP 14 . DOUB P O1P N N 14 . 51977 SEP 15 . SING P O2P N N 15 . 51977 SEP 16 . SING P O3P N N 16 . 51977 SEP 17 . SING O2P HOP2 N N 17 . 51977 SEP 18 . SING O3P HOP3 N N 18 . 51977 SEP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51977 _Sample.ID 1 _Sample.Name 'pS118 ER-NTD' _Sample.Type solution _Sample.Sub_type . _Sample.Details ; NTD, [U-100% 13C; U-100% 15N], 0.4 mM; D2O, [U-100% 2H], 20 mM sodium phosphate, pH 7.4, 100 mM NaCl, 0.5 mM EDTA, and 0.1mM PMSF. ; _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'pS118 ER-NTD' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 400 . . uM . . . . 51977 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51977 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51977 1 4 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 51977 1 5 PMSF 'natural abundance' . . . . . . 0.1 . . mM . . . . 51977 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 51977 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'pS118 ER-NTD' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 140 . mM 51977 1 pH 7.4 . pH 51977 1 pressure 1 . atm 51977 1 temperature 277 . K 51977 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51977 _Software.ID 1 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.470 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51977 1 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 51977 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III HD Ascend 850 MHz' _NMR_spectrometer.Details ; Bruker Avance III HD Ascend 850 MHz in CBEC 092 at the Ohio State University Software: TopSpin 3.2 running on CentOS 5 Probe: 5mm Triple-resonance Inverse (TCI) cryoprobe with Z-Gradients Features: SampleCase, Nitrogen Liquefier, Dual-Receiver, High-sensitivity 1H & 13C ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51977 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker Avance III HD Ascend 700 MHz' _NMR_spectrometer.Details ; Bruker Avance III HD Ascend 700 MHz in Riffe 137 at the Ohio State University Software: TopSpin 3.2 running on CentOS 5 Probe: 5mm Triple-resonance Observe (TXO) cryoprobe with Z-Gradients Features: Automatic Tuning/Matching, SampleJet, Nitrogen Liquefier, High-sensitivity 1H, 13C, & 15N ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51977 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51977 1 2 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51977 1 3 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51977 1 4 '3D CBCACONH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51977 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 51977 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'pS118 ER-NTD' _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 water protons . . . . ppm 4.974 internal indirect 0.2514953 . . . . . 51977 1 H 1 water protons . . . . ppm 4.974 internal direct 1 . . . . . 51977 1 N 15 water protons . . . . ppm 4.974 internal indirect 0.1013291 . . . . . 51977 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 51977 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'pS118 ER-NTD' _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' . . . 51977 1 2 '3D HNCO' . . . 51977 1 3 '3D HNCACB' . . . 51977 1 4 '3D CBCACONH' . . . 51977 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 . . 51977 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET C C 13 177.397 . . . . . . . . 1 MET C . 51977 1 2 . 1 . 1 1 1 MET CA C 13 56.849 . . . . . . . . 1 MET CA . 51977 1 3 . 1 . 1 2 2 THR H H 1 8.337 . . . . . . . . 2 THR HN . 51977 1 4 . 1 . 1 2 2 THR C C 13 175.055 . . . . . . . . 2 THR C . 51977 1 5 . 1 . 1 2 2 THR CA C 13 62.319 . . . . . . . . 2 THR CA . 51977 1 6 . 1 . 1 2 2 THR CB C 13 69.709 . . . . . . . . 2 THR CB . 51977 1 7 . 1 . 1 2 2 THR N N 15 120.599 . . . . . . . . 2 THR N . 51977 1 8 . 1 . 1 3 3 MET H H 1 8.628 . . . . . . . . 3 MET HN . 51977 1 9 . 1 . 1 3 3 MET C C 13 176.054 . . . . . . . . 3 MET C . 51977 1 10 . 1 . 1 3 3 MET CA C 13 55.459 . . . . . . . . 3 MET CA . 51977 1 11 . 1 . 1 3 3 MET CB C 13 32.659 . . . . . . . . 3 MET CB . 51977 1 12 . 1 . 1 3 3 MET N N 15 123.373 . . . . . . . . 3 MET N . 51977 1 13 . 1 . 1 4 4 THR H H 1 8.367 . . . . . . . . 4 THR HN . 51977 1 14 . 1 . 1 4 4 THR C C 13 174.033 . . . . . . . . 4 THR C . 51977 1 15 . 1 . 1 4 4 THR CA C 13 62.035 . . . . . . . . 4 THR CA . 51977 1 16 . 1 . 1 4 4 THR CB C 13 69.829 . . . . . . . . 4 THR CB . 51977 1 17 . 1 . 1 4 4 THR N N 15 117.395 . . . . . . . . 4 THR N . 51977 1 18 . 1 . 1 5 5 LEU H H 1 8.452 . . . . . . . . 5 LEU HN . 51977 1 19 . 1 . 1 5 5 LEU C C 13 176.959 . . . . . . . . 5 LEU C . 51977 1 20 . 1 . 1 5 5 LEU CA C 13 55.127 . . . . . . . . 5 LEU CA . 51977 1 21 . 1 . 1 5 5 LEU CB C 13 42.367 . . . . . . . . 5 LEU CB . 51977 1 22 . 1 . 1 5 5 LEU N N 15 125.480 . . . . . . . . 5 LEU N . 51977 1 23 . 1 . 1 6 6 HIS H H 1 8.463 . . . . . . . . 6 HIS HN . 51977 1 24 . 1 . 1 6 6 HIS C C 13 175.579 . . . . . . . . 6 HIS C . 51977 1 25 . 1 . 1 6 6 HIS CA C 13 56.256 . . . . . . . . 6 HIS CA . 51977 1 26 . 1 . 1 6 6 HIS CB C 13 30.772 . . . . . . . . 6 HIS CB . 51977 1 27 . 1 . 1 6 6 HIS N N 15 121.046 . . . . . . . . 6 HIS N . 51977 1 28 . 1 . 1 7 7 THR H H 1 8.210 . . . . . . . . 7 THR HN . 51977 1 29 . 1 . 1 7 7 THR C C 13 174.537 . . . . . . . . 7 THR C . 51977 1 30 . 1 . 1 7 7 THR CA C 13 61.830 . . . . . . . . 7 THR CA . 51977 1 31 . 1 . 1 7 7 THR CB C 13 69.996 . . . . . . . . 7 THR CB . 51977 1 32 . 1 . 1 7 7 THR N N 15 116.091 . . . . . . . . 7 THR N . 51977 1 33 . 1 . 1 8 8 LYS H H 1 8.561 . . . . . . . . 8 LYS HN . 51977 1 34 . 1 . 1 8 8 LYS C C 13 176.639 . . . . . . . . 8 LYS C . 51977 1 35 . 1 . 1 8 8 LYS CA C 13 56.655 . . . . . . . . 8 LYS CA . 51977 1 36 . 1 . 1 8 8 LYS CB C 13 32.967 . . . . . . . . 8 LYS CB . 51977 1 37 . 1 . 1 8 8 LYS N N 15 124.259 . . . . . . . . 8 LYS N . 51977 1 38 . 1 . 1 9 9 ALA H H 1 8.495 . . . . . . . . 9 ALA HN . 51977 1 39 . 1 . 1 9 9 ALA C C 13 178.003 . . . . . . . . 9 ALA C . 51977 1 40 . 1 . 1 9 9 ALA CA C 13 52.790 . . . . . . . . 9 ALA CA . 51977 1 41 . 1 . 1 9 9 ALA CB C 13 19.079 . . . . . . . . 9 ALA CB . 51977 1 42 . 1 . 1 9 9 ALA N N 15 125.493 . . . . . . . . 9 ALA N . 51977 1 43 . 1 . 1 10 10 SER H H 1 8.407 . . . . . . . . 10 SER HN . 51977 1 44 . 1 . 1 10 10 SER C C 13 175.320 . . . . . . . . 10 SER C . 51977 1 45 . 1 . 1 10 10 SER CA C 13 58.818 . . . . . . . . 10 SER CA . 51977 1 46 . 1 . 1 10 10 SER CB C 13 63.863 . . . . . . . . 10 SER CB . 51977 1 47 . 1 . 1 10 10 SER N N 15 115.475 . . . . . . . . 10 SER N . 51977 1 48 . 1 . 1 11 11 GLY H H 1 8.501 . . . . . . . . 11 GLY HN . 51977 1 49 . 1 . 1 11 11 GLY C C 13 174.620 . . . . . . . . 11 GLY C . 51977 1 50 . 1 . 1 11 11 GLY CA C 13 45.597 . . . . . . . . 11 GLY CA . 51977 1 51 . 1 . 1 11 11 GLY N N 15 110.686 . . . . . . . . 11 GLY N . 51977 1 52 . 1 . 1 12 12 MET H H 1 8.247 . . . . . . . . 12 MET HN . 51977 1 53 . 1 . 1 12 12 MET C C 13 176.357 . . . . . . . . 12 MET C . 51977 1 54 . 1 . 1 12 12 MET CA C 13 55.789 . . . . . . . . 12 MET CA . 51977 1 55 . 1 . 1 12 12 MET CB C 13 32.700 . . . . . . . . 12 MET CB . 51977 1 56 . 1 . 1 12 12 MET N N 15 120.339 . . . . . . . . 12 MET N . 51977 1 57 . 1 . 1 13 13 ALA H H 1 8.325 . . . . . . . . 13 ALA HN . 51977 1 58 . 1 . 1 13 13 ALA C C 13 177.967 . . . . . . . . 13 ALA C . 51977 1 59 . 1 . 1 13 13 ALA CA C 13 52.903 . . . . . . . . 13 ALA CA . 51977 1 60 . 1 . 1 13 13 ALA CB C 13 18.901 . . . . . . . . 13 ALA CB . 51977 1 61 . 1 . 1 13 13 ALA N N 15 124.568 . . . . . . . . 13 ALA N . 51977 1 62 . 1 . 1 14 14 LEU H H 1 8.119 . . . . . . . . 14 LEU HN . 51977 1 63 . 1 . 1 14 14 LEU C C 13 177.539 . . . . . . . . 14 LEU C . 51977 1 64 . 1 . 1 14 14 LEU CA C 13 55.302 . . . . . . . . 14 LEU CA . 51977 1 65 . 1 . 1 14 14 LEU CB C 13 42.071 . . . . . . . . 14 LEU CB . 51977 1 66 . 1 . 1 14 14 LEU N N 15 120.749 . . . . . . . . 14 LEU N . 51977 1 67 . 1 . 1 15 15 LEU H H 1 8.097 . . . . . . . . 15 LEU HN . 51977 1 68 . 1 . 1 15 15 LEU C C 13 177.287 . . . . . . . . 15 LEU C . 51977 1 69 . 1 . 1 15 15 LEU CA C 13 55.461 . . . . . . . . 15 LEU CA . 51977 1 70 . 1 . 1 15 15 LEU CB C 13 42.145 . . . . . . . . 15 LEU CB . 51977 1 71 . 1 . 1 15 15 LEU N N 15 121.915 . . . . . . . . 15 LEU N . 51977 1 72 . 1 . 1 16 16 HIS H H 1 8.239 . . . . . . . . 16 HIS HN . 51977 1 73 . 1 . 1 16 16 HIS C C 13 175.186 . . . . . . . . 16 HIS C . 51977 1 74 . 1 . 1 16 16 HIS CA C 13 56.243 . . . . . . . . 16 HIS CA . 51977 1 75 . 1 . 1 16 16 HIS CB C 13 30.416 . . . . . . . . 16 HIS CB . 51977 1 76 . 1 . 1 16 16 HIS N N 15 119.101 . . . . . . . . 16 HIS N . 51977 1 77 . 1 . 1 17 17 GLN H H 1 8.271 . . . . . . . . 17 GLN HN . 51977 1 78 . 1 . 1 17 17 GLN C C 13 175.902 . . . . . . . . 17 GLN C . 51977 1 79 . 1 . 1 17 17 GLN CA C 13 55.845 . . . . . . . . 17 GLN CA . 51977 1 80 . 1 . 1 17 17 GLN CB C 13 29.482 . . . . . . . . 17 GLN CB . 51977 1 81 . 1 . 1 17 17 GLN N N 15 121.594 . . . . . . . . 17 GLN N . 51977 1 82 . 1 . 1 18 18 ILE H H 1 8.345 . . . . . . . . 18 ILE HN . 51977 1 83 . 1 . 1 18 18 ILE C C 13 176.423 . . . . . . . . 18 ILE C . 51977 1 84 . 1 . 1 18 18 ILE CA C 13 61.477 . . . . . . . . 18 ILE CA . 51977 1 85 . 1 . 1 18 18 ILE CB C 13 38.568 . . . . . . . . 18 ILE CB . 51977 1 86 . 1 . 1 18 18 ILE N N 15 122.736 . . . . . . . . 18 ILE N . 51977 1 87 . 1 . 1 19 19 GLN H H 1 8.679 . . . . . . . . 19 GLN HN . 51977 1 88 . 1 . 1 19 19 GLN C C 13 176.411 . . . . . . . . 19 GLN C . 51977 1 89 . 1 . 1 19 19 GLN CA C 13 56.014 . . . . . . . . 19 GLN CA . 51977 1 90 . 1 . 1 19 19 GLN CB C 13 29.510 . . . . . . . . 19 GLN CB . 51977 1 91 . 1 . 1 19 19 GLN N N 15 124.862 . . . . . . . . 19 GLN N . 51977 1 92 . 1 . 1 20 20 GLY H H 1 8.621 . . . . . . . . 20 GLY HN . 51977 1 93 . 1 . 1 20 20 GLY C C 13 173.871 . . . . . . . . 20 GLY C . 51977 1 94 . 1 . 1 20 20 GLY CA C 13 45.314 . . . . . . . . 20 GLY CA . 51977 1 95 . 1 . 1 20 20 GLY N N 15 110.811 . . . . . . . . 20 GLY N . 51977 1 96 . 1 . 1 21 21 ASN H H 1 8.417 . . . . . . . . 21 ASN HN . 51977 1 97 . 1 . 1 21 21 ASN C C 13 175.437 . . . . . . . . 21 ASN C . 51977 1 98 . 1 . 1 21 21 ASN CA C 13 53.015 . . . . . . . . 21 ASN CA . 51977 1 99 . 1 . 1 21 21 ASN CB C 13 38.856 . . . . . . . . 21 ASN CB . 51977 1 100 . 1 . 1 21 21 ASN N N 15 118.736 . . . . . . . . 21 ASN N . 51977 1 101 . 1 . 1 22 22 GLU H H 1 8.691 . . . . . . . . 22 GLU HN . 51977 1 102 . 1 . 1 22 22 GLU C C 13 176.440 . . . . . . . . 22 GLU C . 51977 1 103 . 1 . 1 22 22 GLU CA C 13 57.050 . . . . . . . . 22 GLU CA . 51977 1 104 . 1 . 1 22 22 GLU CB C 13 29.847 . . . . . . . . 22 GLU CB . 51977 1 105 . 1 . 1 22 22 GLU N N 15 121.241 . . . . . . . . 22 GLU N . 51977 1 106 . 1 . 1 23 23 LEU H H 1 8.315 . . . . . . . . 23 LEU HN . 51977 1 107 . 1 . 1 23 23 LEU C C 13 177.256 . . . . . . . . 23 LEU C . 51977 1 108 . 1 . 1 23 23 LEU CA C 13 55.047 . . . . . . . . 23 LEU CA . 51977 1 109 . 1 . 1 23 23 LEU CB C 13 42.249 . . . . . . . . 23 LEU CB . 51977 1 110 . 1 . 1 23 23 LEU N N 15 122.248 . . . . . . . . 23 LEU N . 51977 1 111 . 1 . 1 24 24 GLU H H 1 8.300 . . . . . . . . 24 GLU HN . 51977 1 112 . 1 . 1 24 24 GLU CA C 13 54.379 . . . . . . . . 24 GLU CA . 51977 1 113 . 1 . 1 24 24 GLU CB C 13 29.641 . . . . . . . . 24 GLU CB . 51977 1 114 . 1 . 1 24 24 GLU N N 15 122.753 . . . . . . . . 24 GLU N . 51977 1 115 . 1 . 1 25 25 PRO C C 13 177.109 . . . . . . . . 25 PRO C . 51977 1 116 . 1 . 1 25 25 PRO CA C 13 63.298 . . . . . . . . 25 PRO CA . 51977 1 117 . 1 . 1 25 25 PRO CB C 13 32.063 . . . . . . . . 25 PRO CB . 51977 1 118 . 1 . 1 26 26 LEU H H 1 8.469 . . . . . . . . 26 LEU HN . 51977 1 119 . 1 . 1 26 26 LEU C C 13 177.283 . . . . . . . . 26 LEU C . 51977 1 120 . 1 . 1 26 26 LEU CA C 13 55.454 . . . . . . . . 26 LEU CA . 51977 1 121 . 1 . 1 26 26 LEU CB C 13 42.183 . . . . . . . . 26 LEU CB . 51977 1 122 . 1 . 1 26 26 LEU N N 15 121.446 . . . . . . . . 26 LEU N . 51977 1 123 . 1 . 1 27 27 ASN H H 1 8.421 . . . . . . . . 27 ASN HN . 51977 1 124 . 1 . 1 27 27 ASN C C 13 174.600 . . . . . . . . 27 ASN C . 51977 1 125 . 1 . 1 27 27 ASN CA C 13 52.885 . . . . . . . . 27 ASN CA . 51977 1 126 . 1 . 1 27 27 ASN CB C 13 38.742 . . . . . . . . 27 ASN CB . 51977 1 127 . 1 . 1 27 27 ASN N N 15 118.696 . . . . . . . . 27 ASN N . 51977 1 128 . 1 . 1 28 28 ARG H H 1 8.223 . . . . . . . . 28 ARG HN . 51977 1 129 . 1 . 1 28 28 ARG CA C 13 54.094 . . . . . . . . 28 ARG CA . 51977 1 130 . 1 . 1 28 28 ARG CB C 13 30.045 . . . . . . . . 28 ARG CB . 51977 1 131 . 1 . 1 28 28 ARG N N 15 122.310 . . . . . . . . 28 ARG N . 51977 1 132 . 1 . 1 29 29 PRO C C 13 176.764 . . . . . . . . 29 PRO C . 51977 1 133 . 1 . 1 29 29 PRO CA C 13 63.162 . . . . . . . . 29 PRO CA . 51977 1 134 . 1 . 1 29 29 PRO CB C 13 32.058 . . . . . . . . 29 PRO CB . 51977 1 135 . 1 . 1 30 30 GLN H H 1 8.645 . . . . . . . . 30 GLN HN . 51977 1 136 . 1 . 1 30 30 GLN C C 13 175.863 . . . . . . . . 30 GLN C . 51977 1 137 . 1 . 1 30 30 GLN CA C 13 55.507 . . . . . . . . 30 GLN CA . 51977 1 138 . 1 . 1 30 30 GLN CB C 13 29.522 . . . . . . . . 30 GLN CB . 51977 1 139 . 1 . 1 30 30 GLN N N 15 121.190 . . . . . . . . 30 GLN N . 51977 1 140 . 1 . 1 31 31 LEU H H 1 8.399 . . . . . . . . 31 LEU HN . 51977 1 141 . 1 . 1 31 31 LEU C C 13 177.050 . . . . . . . . 31 LEU C . 51977 1 142 . 1 . 1 31 31 LEU CA C 13 55.088 . . . . . . . . 31 LEU CA . 51977 1 143 . 1 . 1 31 31 LEU CB C 13 42.441 . . . . . . . . 31 LEU CB . 51977 1 144 . 1 . 1 31 31 LEU N N 15 124.462 . . . . . . . . 31 LEU N . 51977 1 145 . 1 . 1 32 32 LYS H H 1 8.458 . . . . . . . . 32 LYS HN . 51977 1 146 . 1 . 1 32 32 LYS C C 13 176.094 . . . . . . . . 32 LYS C . 51977 1 147 . 1 . 1 32 32 LYS CA C 13 56.068 . . . . . . . . 32 LYS CA . 51977 1 148 . 1 . 1 32 32 LYS CB C 13 32.892 . . . . . . . . 32 LYS CB . 51977 1 149 . 1 . 1 32 32 LYS N N 15 123.319 . . . . . . . . 32 LYS N . 51977 1 150 . 1 . 1 33 33 ILE H H 1 8.297 . . . . . . . . 33 ILE HN . 51977 1 151 . 1 . 1 33 33 ILE CA C 13 58.571 . . . . . . . . 33 ILE CA . 51977 1 152 . 1 . 1 33 33 ILE CB C 13 38.526 . . . . . . . . 33 ILE CB . 51977 1 153 . 1 . 1 33 33 ILE N N 15 124.599 . . . . . . . . 33 ILE N . 51977 1 154 . 1 . 1 34 34 PRO C C 13 176.616 . . . . . . . . 34 PRO C . 51977 1 155 . 1 . 1 34 34 PRO CA C 13 63.014 . . . . . . . . 34 PRO CA . 51977 1 156 . 1 . 1 34 34 PRO CB C 13 32.119 . . . . . . . . 34 PRO CB . 51977 1 157 . 1 . 1 35 35 LEU H H 1 8.398 . . . . . . . . 35 LEU HN . 51977 1 158 . 1 . 1 35 35 LEU C C 13 177.461 . . . . . . . . 35 LEU C . 51977 1 159 . 1 . 1 35 35 LEU CA C 13 55.181 . . . . . . . . 35 LEU CA . 51977 1 160 . 1 . 1 35 35 LEU CB C 13 42.456 . . . . . . . . 35 LEU CB . 51977 1 161 . 1 . 1 35 35 LEU N N 15 122.759 . . . . . . . . 35 LEU N . 51977 1 162 . 1 . 1 36 36 GLU H H 1 8.475 . . . . . . . . 36 GLU HN . 51977 1 163 . 1 . 1 36 36 GLU C C 13 175.973 . . . . . . . . 36 GLU C . 51977 1 164 . 1 . 1 36 36 GLU CA C 13 56.318 . . . . . . . . 36 GLU CA . 51977 1 165 . 1 . 1 36 36 GLU CB C 13 30.362 . . . . . . . . 36 GLU CB . 51977 1 166 . 1 . 1 36 36 GLU N N 15 122.277 . . . . . . . . 36 GLU N . 51977 1 167 . 1 . 1 37 37 ARG H H 1 8.446 . . . . . . . . 37 ARG HN . 51977 1 168 . 1 . 1 37 37 ARG CA C 13 53.792 . . . . . . . . 37 ARG CA . 51977 1 169 . 1 . 1 37 37 ARG CB C 13 30.161 . . . . . . . . 37 ARG CB . 51977 1 170 . 1 . 1 37 37 ARG N N 15 123.500 . . . . . . . . 37 ARG N . 51977 1 171 . 1 . 1 38 38 PRO C C 13 176.965 . . . . . . . . 38 PRO C . 51977 1 172 . 1 . 1 38 38 PRO CA C 13 62.939 . . . . . . . . 38 PRO CA . 51977 1 173 . 1 . 1 38 38 PRO CB C 13 32.129 . . . . . . . . 38 PRO CB . 51977 1 174 . 1 . 1 39 39 LEU H H 1 8.552 . . . . . . . . 39 LEU HN . 51977 1 175 . 1 . 1 39 39 LEU CA C 13 55.666 . . . . . . . . 39 LEU CA . 51977 1 176 . 1 . 1 39 39 LEU CB C 13 42.188 . . . . . . . . 39 LEU CB . 51977 1 177 . 1 . 1 39 39 LEU N N 15 122.974 . . . . . . . . 39 LEU N . 51977 1 178 . 1 . 1 40 40 GLY C C 13 173.959 . . . . . . . . 40 GLY C . 51977 1 179 . 1 . 1 40 40 GLY CA C 13 45.010 . . . . . . . . 40 GLY CA . 51977 1 180 . 1 . 1 41 41 GLU H H 1 8.130 . . . . . . . . 41 GLU HN . 51977 1 181 . 1 . 1 41 41 GLU C C 13 176.280 . . . . . . . . 41 GLU C . 51977 1 182 . 1 . 1 41 41 GLU CA C 13 56.492 . . . . . . . . 41 GLU CA . 51977 1 183 . 1 . 1 41 41 GLU CB C 13 30.453 . . . . . . . . 41 GLU CB . 51977 1 184 . 1 . 1 41 41 GLU N N 15 120.577 . . . . . . . . 41 GLU N . 51977 1 185 . 1 . 1 42 42 VAL H H 1 8.233 . . . . . . . . 42 VAL HN . 51977 1 186 . 1 . 1 42 42 VAL C C 13 175.647 . . . . . . . . 42 VAL C . 51977 1 187 . 1 . 1 42 42 VAL CA C 13 62.264 . . . . . . . . 42 VAL CA . 51977 1 188 . 1 . 1 42 42 VAL CB C 13 32.869 . . . . . . . . 42 VAL CB . 51977 1 189 . 1 . 1 42 42 VAL N N 15 121.894 . . . . . . . . 42 VAL N . 51977 1 190 . 1 . 1 43 43 TYR H H 1 8.438 . . . . . . . . 43 TYR HN . 51977 1 191 . 1 . 1 43 43 TYR CA C 13 57.716 . . . . . . . . 43 TYR CA . 51977 1 192 . 1 . 1 43 43 TYR CB C 13 38.838 . . . . . . . . 43 TYR CB . 51977 1 193 . 1 . 1 43 43 TYR N N 15 124.971 . . . . . . . . 43 TYR N . 51977 1 194 . 1 . 1 44 44 LEU C C 13 176.462 . . . . . . . . 44 LEU C . 51977 1 195 . 1 . 1 44 44 LEU CA C 13 54.824 . . . . . . . . 44 LEU CA . 51977 1 196 . 1 . 1 44 44 LEU CB C 13 42.593 . . . . . . . . 44 LEU CB . 51977 1 197 . 1 . 1 45 45 ASP H H 1 8.400 . . . . . . . . 45 ASP HN . 51977 1 198 . 1 . 1 45 45 ASP C C 13 176.576 . . . . . . . . 45 ASP C . 51977 1 199 . 1 . 1 45 45 ASP CA C 13 54.101 . . . . . . . . 45 ASP CA . 51977 1 200 . 1 . 1 45 45 ASP CB C 13 41.051 . . . . . . . . 45 ASP CB . 51977 1 201 . 1 . 1 45 45 ASP N N 15 122.163 . . . . . . . . 45 ASP N . 51977 1 202 . 1 . 1 46 46 SER H H 1 8.459 . . . . . . . . 46 SER HN . 51977 1 203 . 1 . 1 46 46 SER C C 13 174.721 . . . . . . . . 46 SER C . 51977 1 204 . 1 . 1 46 46 SER CA C 13 58.809 . . . . . . . . 46 SER CA . 51977 1 205 . 1 . 1 46 46 SER CB C 13 63.472 . . . . . . . . 46 SER CB . 51977 1 206 . 1 . 1 46 46 SER N N 15 117.895 . . . . . . . . 46 SER N . 51977 1 207 . 1 . 1 47 47 SER H H 1 8.470 . . . . . . . . 47 SER HN . 51977 1 208 . 1 . 1 47 47 SER C C 13 174.035 . . . . . . . . 47 SER C . 51977 1 209 . 1 . 1 47 47 SER CA C 13 59.014 . . . . . . . . 47 SER CA . 51977 1 210 . 1 . 1 47 47 SER CB C 13 63.788 . . . . . . . . 47 SER CB . 51977 1 211 . 1 . 1 47 47 SER N N 15 118.074 . . . . . . . . 47 SER N . 51977 1 212 . 1 . 1 48 48 LYS H H 1 8.069 . . . . . . . . 48 LYS HN . 51977 1 213 . 1 . 1 48 48 LYS CA C 13 54.067 . . . . . . . . 48 LYS CA . 51977 1 214 . 1 . 1 48 48 LYS CB C 13 32.527 . . . . . . . . 48 LYS CB . 51977 1 215 . 1 . 1 48 48 LYS N N 15 123.943 . . . . . . . . 48 LYS N . 51977 1 216 . 1 . 1 49 49 PRO C C 13 176.454 . . . . . . . . 49 PRO C . 51977 1 217 . 1 . 1 49 49 PRO CA C 13 62.958 . . . . . . . . 49 PRO CA . 51977 1 218 . 1 . 1 49 49 PRO CB C 13 32.119 . . . . . . . . 49 PRO CB . 51977 1 219 . 1 . 1 50 50 ALA H H 1 8.489 . . . . . . . . 50 ALA HN . 51977 1 220 . 1 . 1 50 50 ALA C C 13 177.391 . . . . . . . . 50 ALA C . 51977 1 221 . 1 . 1 50 50 ALA CA C 13 52.405 . . . . . . . . 50 ALA CA . 51977 1 222 . 1 . 1 50 50 ALA CB C 13 19.154 . . . . . . . . 50 ALA CB . 51977 1 223 . 1 . 1 50 50 ALA N N 15 124.997 . . . . . . . . 50 ALA N . 51977 1 224 . 1 . 1 51 51 VAL H H 1 8.087 . . . . . . . . 51 VAL HN . 51977 1 225 . 1 . 1 51 51 VAL C C 13 175.440 . . . . . . . . 51 VAL C . 51977 1 226 . 1 . 1 51 51 VAL CA C 13 61.903 . . . . . . . . 51 VAL CA . 51977 1 227 . 1 . 1 51 51 VAL CB C 13 33.111 . . . . . . . . 51 VAL CB . 51977 1 228 . 1 . 1 51 51 VAL N N 15 119.422 . . . . . . . . 51 VAL N . 51977 1 229 . 1 . 1 52 52 TYR H H 1 8.356 . . . . . . . . 52 TYR HN . 51977 1 230 . 1 . 1 52 52 TYR C C 13 174.775 . . . . . . . . 52 TYR C . 51977 1 231 . 1 . 1 52 52 TYR CA C 13 57.609 . . . . . . . . 52 TYR CA . 51977 1 232 . 1 . 1 52 52 TYR CB C 13 39.223 . . . . . . . . 52 TYR CB . 51977 1 233 . 1 . 1 52 52 TYR N N 15 124.462 . . . . . . . . 52 TYR N . 51977 1 234 . 1 . 1 53 53 ASN H H 1 8.213 . . . . . . . . 53 ASN HN . 51977 1 235 . 1 . 1 53 53 ASN C C 13 173.737 . . . . . . . . 53 ASN C . 51977 1 236 . 1 . 1 53 53 ASN CA C 13 52.580 . . . . . . . . 53 ASN CA . 51977 1 237 . 1 . 1 53 53 ASN CB C 13 39.290 . . . . . . . . 53 ASN CB . 51977 1 238 . 1 . 1 53 53 ASN N N 15 121.437 . . . . . . . . 53 ASN N . 51977 1 239 . 1 . 1 54 54 TYR H H 1 8.128 . . . . . . . . 54 TYR HN . 51977 1 240 . 1 . 1 54 54 TYR CA C 13 56.247 . . . . . . . . 54 TYR CA . 51977 1 241 . 1 . 1 54 54 TYR CB C 13 37.963 . . . . . . . . 54 TYR CB . 51977 1 242 . 1 . 1 54 54 TYR N N 15 121.922 . . . . . . . . 54 TYR N . 51977 1 243 . 1 . 1 55 55 PRO C C 13 176.715 . . . . . . . . 55 PRO C . 51977 1 244 . 1 . 1 55 55 PRO CA C 13 63.207 . . . . . . . . 55 PRO CA . 51977 1 245 . 1 . 1 55 55 PRO CB C 13 32.082 . . . . . . . . 55 PRO CB . 51977 1 246 . 1 . 1 56 56 GLU H H 1 8.508 . . . . . . . . 56 GLU HN . 51977 1 247 . 1 . 1 56 56 GLU C C 13 175.935 . . . . . . . . 56 GLU C . 51977 1 248 . 1 . 1 56 56 GLU CA C 13 56.275 . . . . . . . . 56 GLU CA . 51977 1 249 . 1 . 1 56 56 GLU CB C 13 30.447 . . . . . . . . 56 GLU CB . 51977 1 250 . 1 . 1 56 56 GLU N N 15 119.659 . . . . . . . . 56 GLU N . 51977 1 251 . 1 . 1 57 57 GLY H H 1 8.466 . . . . . . . . 57 GLY HN . 51977 1 252 . 1 . 1 57 57 GLY C C 13 174.038 . . . . . . . . 57 GLY C . 51977 1 253 . 1 . 1 57 57 GLY CA C 13 45.279 . . . . . . . . 57 GLY CA . 51977 1 254 . 1 . 1 57 57 GLY N N 15 110.296 . . . . . . . . 57 GLY N . 51977 1 255 . 1 . 1 58 58 ALA H H 1 8.154 . . . . . . . . 58 ALA HN . 51977 1 256 . 1 . 1 58 58 ALA C C 13 177.617 . . . . . . . . 58 ALA C . 51977 1 257 . 1 . 1 58 58 ALA CA C 13 52.691 . . . . . . . . 58 ALA CA . 51977 1 258 . 1 . 1 58 58 ALA CB C 13 19.242 . . . . . . . . 58 ALA CB . 51977 1 259 . 1 . 1 58 58 ALA N N 15 123.777 . . . . . . . . 58 ALA N . 51977 1 260 . 1 . 1 59 59 ALA H H 1 8.324 . . . . . . . . 59 ALA HN . 51977 1 261 . 1 . 1 59 59 ALA C C 13 177.514 . . . . . . . . 59 ALA C . 51977 1 262 . 1 . 1 59 59 ALA CA C 13 52.676 . . . . . . . . 59 ALA CA . 51977 1 263 . 1 . 1 59 59 ALA CB C 13 19.034 . . . . . . . . 59 ALA CB . 51977 1 264 . 1 . 1 59 59 ALA N N 15 122.554 . . . . . . . . 59 ALA N . 51977 1 265 . 1 . 1 60 60 TYR H H 1 8.018 . . . . . . . . 60 TYR HN . 51977 1 266 . 1 . 1 60 60 TYR C C 13 175.828 . . . . . . . . 60 TYR C . 51977 1 267 . 1 . 1 60 60 TYR CA C 13 58.235 . . . . . . . . 60 TYR CA . 51977 1 268 . 1 . 1 60 60 TYR CB C 13 38.709 . . . . . . . . 60 TYR CB . 51977 1 269 . 1 . 1 60 60 TYR N N 15 119.160 . . . . . . . . 60 TYR N . 51977 1 270 . 1 . 1 61 61 GLU H H 1 8.165 . . . . . . . . 61 GLU HN . 51977 1 271 . 1 . 1 61 61 GLU C C 13 176.019 . . . . . . . . 61 GLU C . 51977 1 272 . 1 . 1 61 61 GLU CA C 13 56.537 . . . . . . . . 61 GLU CA . 51977 1 273 . 1 . 1 61 61 GLU CB C 13 30.373 . . . . . . . . 61 GLU CB . 51977 1 274 . 1 . 1 61 61 GLU N N 15 122.506 . . . . . . . . 61 GLU N . 51977 1 275 . 1 . 1 62 62 PHE H H 1 8.285 . . . . . . . . 62 PHE HN . 51977 1 276 . 1 . 1 62 62 PHE C C 13 175.582 . . . . . . . . 62 PHE C . 51977 1 277 . 1 . 1 62 62 PHE CA C 13 58.553 . . . . . . . . 62 PHE CA . 51977 1 278 . 1 . 1 62 62 PHE CB C 13 39.410 . . . . . . . . 62 PHE CB . 51977 1 279 . 1 . 1 62 62 PHE N N 15 122.125 . . . . . . . . 62 PHE N . 51977 1 280 . 1 . 1 63 63 ASN H H 1 8.273 . . . . . . . . 63 ASN HN . 51977 1 281 . 1 . 1 63 63 ASN C C 13 175.174 . . . . . . . . 63 ASN C . 51977 1 282 . 1 . 1 63 63 ASN CA C 13 52.931 . . . . . . . . 63 ASN CA . 51977 1 283 . 1 . 1 63 63 ASN CB C 13 38.713 . . . . . . . . 63 ASN CB . 51977 1 284 . 1 . 1 63 63 ASN N N 15 121.633 . . . . . . . . 63 ASN N . 51977 1 285 . 1 . 1 64 64 ALA H H 1 8.378 . . . . . . . . 64 ALA HN . 51977 1 286 . 1 . 1 64 64 ALA C C 13 178.529 . . . . . . . . 64 ALA C . 51977 1 287 . 1 . 1 64 64 ALA CA C 13 53.789 . . . . . . . . 64 ALA CA . 51977 1 288 . 1 . 1 64 64 ALA CB C 13 18.700 . . . . . . . . 64 ALA CB . 51977 1 289 . 1 . 1 64 64 ALA N N 15 125.622 . . . . . . . . 64 ALA N . 51977 1 290 . 1 . 1 65 65 ALA H H 1 8.163 . . . . . . . . 65 ALA HN . 51977 1 291 . 1 . 1 65 65 ALA C C 13 178.430 . . . . . . . . 65 ALA C . 51977 1 292 . 1 . 1 65 65 ALA CA C 13 53.296 . . . . . . . . 65 ALA CA . 51977 1 293 . 1 . 1 65 65 ALA CB C 13 18.550 . . . . . . . . 65 ALA CB . 51977 1 294 . 1 . 1 65 65 ALA N N 15 121.890 . . . . . . . . 65 ALA N . 51977 1 295 . 1 . 1 66 66 ALA H H 1 7.933 . . . . . . . . 66 ALA HN . 51977 1 296 . 1 . 1 66 66 ALA C C 13 178.635 . . . . . . . . 66 ALA C . 51977 1 297 . 1 . 1 66 66 ALA CA C 13 53.170 . . . . . . . . 66 ALA CA . 51977 1 298 . 1 . 1 66 66 ALA CB C 13 18.671 . . . . . . . . 66 ALA CB . 51977 1 299 . 1 . 1 66 66 ALA N N 15 122.148 . . . . . . . . 66 ALA N . 51977 1 300 . 1 . 1 67 67 ALA H H 1 8.087 . . . . . . . . 67 ALA HN . 51977 1 301 . 1 . 1 67 67 ALA C C 13 178.456 . . . . . . . . 67 ALA C . 51977 1 302 . 1 . 1 67 67 ALA CA C 13 53.148 . . . . . . . . 67 ALA CA . 51977 1 303 . 1 . 1 67 67 ALA CB C 13 18.779 . . . . . . . . 67 ALA CB . 51977 1 304 . 1 . 1 67 67 ALA N N 15 122.336 . . . . . . . . 67 ALA N . 51977 1 305 . 1 . 1 68 68 ALA H H 1 8.124 . . . . . . . . 68 ALA HN . 51977 1 306 . 1 . 1 68 68 ALA C C 13 178.311 . . . . . . . . 68 ALA C . 51977 1 307 . 1 . 1 68 68 ALA CA C 13 53.271 . . . . . . . . 68 ALA CA . 51977 1 308 . 1 . 1 68 68 ALA CB C 13 18.757 . . . . . . . . 68 ALA CB . 51977 1 309 . 1 . 1 68 68 ALA N N 15 122.142 . . . . . . . . 68 ALA N . 51977 1 310 . 1 . 1 69 69 ASN H H 1 8.202 . . . . . . . . 69 ASN HN . 51977 1 311 . 1 . 1 69 69 ASN C C 13 175.283 . . . . . . . . 69 ASN C . 51977 1 312 . 1 . 1 69 69 ASN CA C 13 53.556 . . . . . . . . 69 ASN CA . 51977 1 313 . 1 . 1 69 69 ASN CB C 13 38.692 . . . . . . . . 69 ASN CB . 51977 1 314 . 1 . 1 69 69 ASN N N 15 116.933 . . . . . . . . 69 ASN N . 51977 1 315 . 1 . 1 70 70 ALA H H 1 8.085 . . . . . . . . 70 ALA HN . 51977 1 316 . 1 . 1 70 70 ALA C C 13 177.907 . . . . . . . . 70 ALA C . 51977 1 317 . 1 . 1 70 70 ALA CA C 13 52.961 . . . . . . . . 70 ALA CA . 51977 1 318 . 1 . 1 70 70 ALA CB C 13 19.020 . . . . . . . . 70 ALA CB . 51977 1 319 . 1 . 1 70 70 ALA N N 15 123.427 . . . . . . . . 70 ALA N . 51977 1 320 . 1 . 1 71 71 GLN H H 1 8.219 . . . . . . . . 71 GLN HN . 51977 1 321 . 1 . 1 71 71 GLN C C 13 175.967 . . . . . . . . 71 GLN C . 51977 1 322 . 1 . 1 71 71 GLN CA C 13 56.137 . . . . . . . . 71 GLN CA . 51977 1 323 . 1 . 1 71 71 GLN CB C 13 29.192 . . . . . . . . 71 GLN CB . 51977 1 324 . 1 . 1 71 71 GLN N N 15 119.023 . . . . . . . . 71 GLN N . 51977 1 325 . 1 . 1 72 72 VAL H H 1 8.025 . . . . . . . . 72 VAL HN . 51977 1 326 . 1 . 1 72 72 VAL C C 13 176.036 . . . . . . . . 72 VAL C . 51977 1 327 . 1 . 1 72 72 VAL CA C 13 62.515 . . . . . . . . 72 VAL CA . 51977 1 328 . 1 . 1 72 72 VAL CB C 13 32.844 . . . . . . . . 72 VAL CB . 51977 1 329 . 1 . 1 72 72 VAL N N 15 120.770 . . . . . . . . 72 VAL N . 51977 1 330 . 1 . 1 73 73 TYR H H 1 8.389 . . . . . . . . 73 TYR HN . 51977 1 331 . 1 . 1 73 73 TYR C C 13 176.572 . . . . . . . . 73 TYR C . 51977 1 332 . 1 . 1 73 73 TYR CA C 13 58.198 . . . . . . . . 73 TYR CA . 51977 1 333 . 1 . 1 73 73 TYR CB C 13 38.821 . . . . . . . . 73 TYR CB . 51977 1 334 . 1 . 1 73 73 TYR N N 15 123.503 . . . . . . . . 73 TYR N . 51977 1 335 . 1 . 1 74 74 GLY H H 1 8.364 . . . . . . . . 74 GLY HN . 51977 1 336 . 1 . 1 74 74 GLY C C 13 174.191 . . . . . . . . 74 GLY C . 51977 1 337 . 1 . 1 74 74 GLY CA C 13 45.264 . . . . . . . . 74 GLY CA . 51977 1 338 . 1 . 1 74 74 GLY N N 15 110.588 . . . . . . . . 74 GLY N . 51977 1 339 . 1 . 1 75 75 GLN H H 1 8.320 . . . . . . . . 75 GLN HN . 51977 1 340 . 1 . 1 75 75 GLN C C 13 176.458 . . . . . . . . 75 GLN C . 51977 1 341 . 1 . 1 75 75 GLN CA C 13 55.986 . . . . . . . . 75 GLN CA . 51977 1 342 . 1 . 1 75 75 GLN CB C 13 29.446 . . . . . . . . 75 GLN CB . 51977 1 343 . 1 . 1 75 75 GLN N N 15 119.684 . . . . . . . . 75 GLN N . 51977 1 344 . 1 . 1 76 76 THR H H 1 8.318 . . . . . . . . 76 THR HN . 51977 1 345 . 1 . 1 76 76 THR C C 13 175.092 . . . . . . . . 76 THR C . 51977 1 346 . 1 . 1 76 76 THR CA C 13 62.037 . . . . . . . . 76 THR CA . 51977 1 347 . 1 . 1 76 76 THR CB C 13 69.872 . . . . . . . . 76 THR CB . 51977 1 348 . 1 . 1 76 76 THR N N 15 114.036 . . . . . . . . 76 THR N . 51977 1 349 . 1 . 1 77 77 GLY H H 1 8.443 . . . . . . . . 77 GLY HN . 51977 1 350 . 1 . 1 77 77 GLY C C 13 173.584 . . . . . . . . 77 GLY C . 51977 1 351 . 1 . 1 77 77 GLY CA C 13 45.120 . . . . . . . . 77 GLY CA . 51977 1 352 . 1 . 1 77 77 GLY N N 15 110.936 . . . . . . . . 77 GLY N . 51977 1 353 . 1 . 1 78 78 LEU H H 1 8.149 . . . . . . . . 78 LEU HN . 51977 1 354 . 1 . 1 78 78 LEU CA C 13 52.744 . . . . . . . . 78 LEU CA . 51977 1 355 . 1 . 1 78 78 LEU CB C 13 41.649 . . . . . . . . 78 LEU CB . 51977 1 356 . 1 . 1 78 78 LEU N N 15 122.560 . . . . . . . . 78 LEU N . 51977 1 357 . 1 . 1 79 79 PRO C C 13 176.252 . . . . . . . . 79 PRO C . 51977 1 358 . 1 . 1 79 79 PRO CA C 13 63.177 . . . . . . . . 79 PRO CA . 51977 1 359 . 1 . 1 79 79 PRO CB C 13 31.772 . . . . . . . . 79 PRO CB . 51977 1 360 . 1 . 1 80 80 TYR H H 1 8.119 . . . . . . . . 80 TYR HN . 51977 1 361 . 1 . 1 80 80 TYR C C 13 175.789 . . . . . . . . 80 TYR C . 51977 1 362 . 1 . 1 80 80 TYR CA C 13 57.491 . . . . . . . . 80 TYR CA . 51977 1 363 . 1 . 1 80 80 TYR CB C 13 38.983 . . . . . . . . 80 TYR CB . 51977 1 364 . 1 . 1 80 80 TYR N N 15 119.503 . . . . . . . . 80 TYR N . 51977 1 365 . 1 . 1 81 81 GLY H H 1 8.183 . . . . . . . . 81 GLY HN . 51977 1 366 . 1 . 1 81 81 GLY CA C 13 44.565 . . . . . . . . 81 GLY CA . 51977 1 367 . 1 . 1 81 81 GLY N N 15 110.404 . . . . . . . . 81 GLY N . 51977 1 368 . 1 . 1 82 82 PRO C C 13 177.839 . . . . . . . . 82 PRO C . 51977 1 369 . 1 . 1 82 82 PRO CA C 13 63.661 . . . . . . . . 82 PRO CA . 51977 1 370 . 1 . 1 82 82 PRO CB C 13 31.942 . . . . . . . . 82 PRO CB . 51977 1 371 . 1 . 1 83 83 GLY H H 1 8.797 . . . . . . . . 83 GLY HN . 51977 1 372 . 1 . 1 83 83 GLY C C 13 174.646 . . . . . . . . 83 GLY C . 51977 1 373 . 1 . 1 83 83 GLY CA C 13 45.308 . . . . . . . . 83 GLY CA . 51977 1 374 . 1 . 1 83 83 GLY N N 15 110.856 . . . . . . . . 83 GLY N . 51977 1 375 . 1 . 1 84 84 SER H H 1 8.185 . . . . . . . . 84 SER HN . 51977 1 376 . 1 . 1 84 84 SER C C 13 174.877 . . . . . . . . 84 SER C . 51977 1 377 . 1 . 1 84 84 SER CA C 13 58.968 . . . . . . . . 84 SER CA . 51977 1 378 . 1 . 1 84 84 SER CB C 13 63.935 . . . . . . . . 84 SER CB . 51977 1 379 . 1 . 1 84 84 SER N N 15 115.885 . . . . . . . . 84 SER N . 51977 1 380 . 1 . 1 85 85 GLU H H 1 8.740 . . . . . . . . 85 GLU HN . 51977 1 381 . 1 . 1 85 85 GLU C C 13 176.659 . . . . . . . . 85 GLU C . 51977 1 382 . 1 . 1 85 85 GLU CA C 13 57.231 . . . . . . . . 85 GLU CA . 51977 1 383 . 1 . 1 85 85 GLU CB C 13 29.691 . . . . . . . . 85 GLU CB . 51977 1 384 . 1 . 1 85 85 GLU N N 15 122.976 . . . . . . . . 85 GLU N . 51977 1 385 . 1 . 1 86 86 ALA H H 1 8.271 . . . . . . . . 86 ALA HN . 51977 1 386 . 1 . 1 86 86 ALA CA C 13 52.856 . . . . . . . . 86 ALA CA . 51977 1 387 . 1 . 1 86 86 ALA CB C 13 18.944 . . . . . . . . 86 ALA CB . 51977 1 388 . 1 . 1 86 86 ALA N N 15 124.161 . . . . . . . . 86 ALA N . 51977 1 389 . 1 . 1 87 87 ALA H H 1 8.148 . . . . . . . . 87 ALA HN . 51977 1 390 . 1 . 1 87 87 ALA C C 13 177.702 . . . . . . . . 87 ALA C . 51977 1 391 . 1 . 1 87 87 ALA CA C 13 52.740 . . . . . . . . 87 ALA CA . 51977 1 392 . 1 . 1 87 87 ALA CB C 13 18.991 . . . . . . . . 87 ALA CB . 51977 1 393 . 1 . 1 87 87 ALA N N 15 122.618 . . . . . . . . 87 ALA N . 51977 1 394 . 1 . 1 88 88 ALA H H 1 8.121 . . . . . . . . 88 ALA HN . 51977 1 395 . 1 . 1 88 88 ALA C C 13 177.712 . . . . . . . . 88 ALA C . 51977 1 396 . 1 . 1 88 88 ALA CA C 13 52.614 . . . . . . . . 88 ALA CA . 51977 1 397 . 1 . 1 88 88 ALA CB C 13 19.039 . . . . . . . . 88 ALA CB . 51977 1 398 . 1 . 1 88 88 ALA N N 15 122.537 . . . . . . . . 88 ALA N . 51977 1 399 . 1 . 1 89 89 PHE H H 1 8.197 . . . . . . . . 89 PHE HN . 51977 1 400 . 1 . 1 89 89 PHE C C 13 176.541 . . . . . . . . 89 PHE C . 51977 1 401 . 1 . 1 89 89 PHE CA C 13 58.160 . . . . . . . . 89 PHE CA . 51977 1 402 . 1 . 1 89 89 PHE CB C 13 39.413 . . . . . . . . 89 PHE CB . 51977 1 403 . 1 . 1 89 89 PHE N N 15 119.307 . . . . . . . . 89 PHE N . 51977 1 404 . 1 . 1 90 90 GLY H H 1 8.309 . . . . . . . . 90 GLY HN . 51977 1 405 . 1 . 1 90 90 GLY CA C 13 45.247 . . . . . . . . 90 GLY CA . 51977 1 406 . 1 . 1 90 90 GLY N N 15 110.547 . . . . . . . . 90 GLY N . 51977 1 407 . 1 . 1 91 91 SER C C 13 174.679 . . . . . . . . 91 SER C . 51977 1 408 . 1 . 1 91 91 SER CA C 13 58.677 . . . . . . . . 91 SER CA . 51977 1 409 . 1 . 1 91 91 SER CB C 13 63.782 . . . . . . . . 91 SER CB . 51977 1 410 . 1 . 1 92 92 ASN H H 1 8.575 . . . . . . . . 92 ASN HN . 51977 1 411 . 1 . 1 92 92 ASN C C 13 175.735 . . . . . . . . 92 ASN C . 51977 1 412 . 1 . 1 92 92 ASN CA C 13 53.321 . . . . . . . . 92 ASN CA . 51977 1 413 . 1 . 1 92 92 ASN CB C 13 38.627 . . . . . . . . 92 ASN CB . 51977 1 414 . 1 . 1 92 92 ASN N N 15 120.178 . . . . . . . . 92 ASN N . 51977 1 415 . 1 . 1 93 93 GLY H H 1 8.348 . . . . . . . . 93 GLY HN . 51977 1 416 . 1 . 1 93 93 GLY C C 13 174.368 . . . . . . . . 93 GLY C . 51977 1 417 . 1 . 1 93 93 GLY CA C 13 45.496 . . . . . . . . 93 GLY CA . 51977 1 418 . 1 . 1 93 93 GLY N N 15 108.641 . . . . . . . . 93 GLY N . 51977 1 419 . 1 . 1 94 94 LEU H H 1 8.167 . . . . . . . . 94 LEU HN . 51977 1 420 . 1 . 1 94 94 LEU C C 13 178.125 . . . . . . . . 94 LEU C . 51977 1 421 . 1 . 1 94 94 LEU CA C 13 55.204 . . . . . . . . 94 LEU CA . 51977 1 422 . 1 . 1 94 94 LEU CB C 13 42.197 . . . . . . . . 94 LEU CB . 51977 1 423 . 1 . 1 94 94 LEU N N 15 121.398 . . . . . . . . 94 LEU N . 51977 1 424 . 1 . 1 95 95 GLY H H 1 8.533 . . . . . . . . 95 GLY HN . 51977 1 425 . 1 . 1 95 95 GLY C C 13 174.350 . . . . . . . . 95 GLY C . 51977 1 426 . 1 . 1 95 95 GLY CA C 13 45.292 . . . . . . . . 95 GLY CA . 51977 1 427 . 1 . 1 95 95 GLY N N 15 109.611 . . . . . . . . 95 GLY N . 51977 1 428 . 1 . 1 96 96 GLY H H 1 8.167 . . . . . . . . 96 GLY HN . 51977 1 429 . 1 . 1 96 96 GLY C C 13 172.523 . . . . . . . . 96 GLY C . 51977 1 430 . 1 . 1 96 96 GLY CA C 13 45.216 . . . . . . . . 96 GLY CA . 51977 1 431 . 1 . 1 96 96 GLY N N 15 108.120 . . . . . . . . 96 GLY N . 51977 1 432 . 1 . 1 97 97 PHE H H 1 8.097 . . . . . . . . 97 PHE HN . 51977 1 433 . 1 . 1 97 97 PHE CA C 13 55.510 . . . . . . . . 97 PHE CA . 51977 1 434 . 1 . 1 97 97 PHE CB C 13 41.734 . . . . . . . . 97 PHE CB . 51977 1 435 . 1 . 1 97 97 PHE N N 15 120.460 . . . . . . . . 97 PHE N . 51977 1 436 . 1 . 1 99 99 PRO C C 13 177.020 . . . . . . . . 99 PRO C . 51977 1 437 . 1 . 1 99 99 PRO CA C 13 62.706 . . . . . . . . 99 PRO CA . 51977 1 438 . 1 . 1 99 99 PRO CB C 13 32.048 . . . . . . . . 99 PRO CB . 51977 1 439 . 1 . 1 100 100 LEU H H 1 8.503 . . . . . . . . 100 LEU HN . 51977 1 440 . 1 . 1 100 100 LEU C C 13 177.358 . . . . . . . . 100 LEU C . 51977 1 441 . 1 . 1 100 100 LEU CA C 13 55.390 . . . . . . . . 100 LEU CA . 51977 1 442 . 1 . 1 100 100 LEU CB C 13 42.307 . . . . . . . . 100 LEU CB . 51977 1 443 . 1 . 1 100 100 LEU N N 15 122.699 . . . . . . . . 100 LEU N . 51977 1 444 . 1 . 1 101 101 ASN H H 1 8.569 . . . . . . . . 101 ASN HN . 51977 1 445 . 1 . 1 101 101 ASN C C 13 175.035 . . . . . . . . 101 ASN C . 51977 1 446 . 1 . 1 101 101 ASN CA C 13 53.155 . . . . . . . . 101 ASN CA . 51977 1 447 . 1 . 1 101 101 ASN CB C 13 38.752 . . . . . . . . 101 ASN CB . 51977 1 448 . 1 . 1 101 101 ASN N N 15 119.191 . . . . . . . . 101 ASN N . 51977 1 449 . 1 . 1 102 102 SER H H 1 8.308 . . . . . . . . 102 SER HN . 51977 1 450 . 1 . 1 102 102 SER C C 13 174.289 . . . . . . . . 102 SER C . 51977 1 451 . 1 . 1 102 102 SER CA C 13 58.420 . . . . . . . . 102 SER CA . 51977 1 452 . 1 . 1 102 102 SER CB C 13 63.873 . . . . . . . . 102 SER CB . 51977 1 453 . 1 . 1 102 102 SER N N 15 116.098 . . . . . . . . 102 SER N . 51977 1 454 . 1 . 1 103 103 VAL H H 1 8.230 . . . . . . . . 103 VAL HN . 51977 1 455 . 1 . 1 103 103 VAL C C 13 176.456 . . . . . . . . 103 VAL C . 51977 1 456 . 1 . 1 103 103 VAL CA C 13 62.005 . . . . . . . . 103 VAL CA . 51977 1 457 . 1 . 1 103 103 VAL CB C 13 32.813 . . . . . . . . 103 VAL CB . 51977 1 458 . 1 . 1 103 103 VAL N N 15 121.701 . . . . . . . . 103 VAL N . 51977 1 459 . 1 . 1 104 104 SER H H 1 8.474 . . . . . . . . 104 SER HN . 51977 1 460 . 1 . 1 104 104 SER CA C 13 56.195 . . . . . . . . 104 SER CA . 51977 1 461 . 1 . 1 104 104 SER CB C 13 63.179 . . . . . . . . 104 SER CB . 51977 1 462 . 1 . 1 104 104 SER N N 15 118.186 . . . . . . . . 104 SER N . 51977 1 463 . 1 . 1 105 105 PRO C C 13 175.991 . . . . . . . . 105 PRO C . 51977 1 464 . 1 . 1 105 105 PRO CA C 13 63.410 . . . . . . . . 105 PRO CA . 51977 1 465 . 1 . 1 105 105 PRO CB C 13 32.948 . . . . . . . . 105 PRO CB . 51977 1 466 . 1 . 1 106 106 SER H H 1 8.530 . . . . . . . . 106 SER HN . 51977 1 467 . 1 . 1 106 106 SER CA C 13 58.985 . . . . . . . . 106 SER CA . 51977 1 468 . 1 . 1 106 106 SER CB C 13 63.797 . . . . . . . . 106 SER CB . 51977 1 469 . 1 . 1 106 106 SER N N 15 121.635 . . . . . . . . 106 SER N . 51977 1 470 . 1 . 1 107 107 PRO C C 13 177.051 . . . . . . . . 107 PRO C . 51977 1 471 . 1 . 1 107 107 PRO CA C 13 63.472 . . . . . . . . 107 PRO CA . 51977 1 472 . 1 . 1 107 107 PRO CB C 13 32.105 . . . . . . . . 107 PRO CB . 51977 1 473 . 1 . 1 108 108 LEU H H 1 8.240 . . . . . . . . 108 LEU HN . 51977 1 474 . 1 . 1 108 108 LEU C C 13 177.508 . . . . . . . . 108 LEU C . 51977 1 475 . 1 . 1 108 108 LEU CA C 13 55.509 . . . . . . . . 108 LEU CA . 51977 1 476 . 1 . 1 108 108 LEU CB C 13 42.034 . . . . . . . . 108 LEU CB . 51977 1 477 . 1 . 1 108 108 LEU N N 15 121.091 . . . . . . . . 108 LEU N . 51977 1 478 . 1 . 1 109 109 MET H H 1 8.218 . . . . . . . . 109 MET HN . 51977 1 479 . 1 . 1 109 109 MET CA C 13 55.440 . . . . . . . . 109 MET CA . 51977 1 480 . 1 . 1 109 109 MET CB C 13 32.608 . . . . . . . . 109 MET CB . 51977 1 481 . 1 . 1 109 109 MET N N 15 120.845 . . . . . . . . 109 MET N . 51977 1 482 . 1 . 1 110 110 LEU C C 13 176.913 . . . . . . . . 110 LEU C . 51977 1 483 . 1 . 1 110 110 LEU CA C 13 55.132 . . . . . . . . 110 LEU CA . 51977 1 484 . 1 . 1 110 110 LEU CB C 13 42.244 . . . . . . . . 110 LEU CB . 51977 1 485 . 1 . 1 111 111 LEU H H 1 8.126 . . . . . . . . 111 LEU HN . 51977 1 486 . 1 . 1 111 111 LEU C C 13 176.593 . . . . . . . . 111 LEU C . 51977 1 487 . 1 . 1 111 111 LEU CA C 13 55.049 . . . . . . . . 111 LEU CA . 51977 1 488 . 1 . 1 111 111 LEU CB C 13 42.460 . . . . . . . . 111 LEU CB . 51977 1 489 . 1 . 1 111 111 LEU N N 15 122.393 . . . . . . . . 111 LEU N . 51977 1 490 . 1 . 1 112 112 HIS H H 1 8.252 . . . . . . . . 112 HIS HN . 51977 1 491 . 1 . 1 112 112 HIS CA C 13 53.613 . . . . . . . . 112 HIS CA . 51977 1 492 . 1 . 1 112 112 HIS CB C 13 29.791 . . . . . . . . 112 HIS CB . 51977 1 493 . 1 . 1 112 112 HIS N N 15 120.077 . . . . . . . . 112 HIS N . 51977 1 494 . 1 . 1 115 115 PRO C C 13 176.582 . . . . . . . . 115 PRO C . 51977 1 495 . 1 . 1 115 115 PRO CA C 13 62.879 . . . . . . . . 115 PRO CA . 51977 1 496 . 1 . 1 115 115 PRO CB C 13 32.105 . . . . . . . . 115 PRO CB . 51977 1 497 . 1 . 1 116 116 GLN H H 1 8.575 . . . . . . . . 116 GLN HN . 51977 1 498 . 1 . 1 116 116 GLN C C 13 175.922 . . . . . . . . 116 GLN C . 51977 1 499 . 1 . 1 116 116 GLN CA C 13 55.328 . . . . . . . . 116 GLN CA . 51977 1 500 . 1 . 1 116 116 GLN CB C 13 29.527 . . . . . . . . 116 GLN CB . 51977 1 501 . 1 . 1 116 116 GLN N N 15 121.100 . . . . . . . . 116 GLN N . 51977 1 502 . 1 . 1 117 117 LEU H H 1 8.135 . . . . . . . . 117 LEU HN . 51977 1 503 . 1 . 1 117 117 LEU CA C 13 54.666 . . . . . . . . 117 LEU CA . 51977 1 504 . 1 . 1 117 117 LEU CB C 13 42.629 . . . . . . . . 117 LEU CB . 51977 1 505 . 1 . 1 117 117 LEU N N 15 123.053 . . . . . . . . 117 LEU N . 51977 1 506 . 1 . 1 118 118 SEP H H 1 8.874 . . . . . . . . 118 SEP HN . 51977 1 507 . 1 . 1 118 118 SEP CA C 13 56.610 . . . . . . . . 118 SEP CA . 51977 1 508 . 1 . 1 118 118 SEP CB C 13 64.522 . . . . . . . . 118 SEP CB . 51977 1 509 . 1 . 1 118 118 SEP N N 15 120.333 . . . . . . . . 118 SEP N . 51977 1 510 . 1 . 1 119 119 PRO C C 13 176.502 . . . . . . . . 119 PRO C . 51977 1 511 . 1 . 1 119 119 PRO CA C 13 63.405 . . . . . . . . 119 PRO CA . 51977 1 512 . 1 . 1 119 119 PRO CB C 13 31.895 . . . . . . . . 119 PRO CB . 51977 1 513 . 1 . 1 120 120 PHE H H 1 8.082 . . . . . . . . 120 PHE HN . 51977 1 514 . 1 . 1 120 120 PHE C C 13 175.323 . . . . . . . . 120 PHE C . 51977 1 515 . 1 . 1 120 120 PHE CA C 13 57.714 . . . . . . . . 120 PHE CA . 51977 1 516 . 1 . 1 120 120 PHE CB C 13 39.396 . . . . . . . . 120 PHE CB . 51977 1 517 . 1 . 1 120 120 PHE N N 15 119.163 . . . . . . . . 120 PHE N . 51977 1 518 . 1 . 1 121 121 LEU H H 1 8.202 . . . . . . . . 121 LEU HN . 51977 1 519 . 1 . 1 121 121 LEU C C 13 174.187 . . . . . . . . 121 LEU C . 51977 1 520 . 1 . 1 121 121 LEU CA C 13 54.393 . . . . . . . . 121 LEU CA . 51977 1 521 . 1 . 1 121 121 LEU CB C 13 42.457 . . . . . . . . 121 LEU CB . 51977 1 522 . 1 . 1 121 121 LEU N N 15 125.406 . . . . . . . . 121 LEU N . 51977 1 523 . 1 . 1 122 122 GLN H H 1 8.388 . . . . . . . . 122 GLN HN . 51977 1 524 . 1 . 1 122 122 GLN CA C 13 55.210 . . . . . . . . 122 GLN CA . 51977 1 525 . 1 . 1 122 122 GLN N N 15 125.046 . . . . . . . . 122 GLN N . 51977 1 526 . 1 . 1 123 123 PRO C C 13 176.834 . . . . . . . . 123 PRO C . 51977 1 527 . 1 . 1 123 123 PRO CA C 13 63.274 . . . . . . . . 123 PRO CA . 51977 1 528 . 1 . 1 123 123 PRO CB C 13 31.918 . . . . . . . . 123 PRO CB . 51977 1 529 . 1 . 1 124 124 HIS H H 1 8.624 . . . . . . . . 124 HIS HN . 51977 1 530 . 1 . 1 124 124 HIS C C 13 177.248 . . . . . . . . 124 HIS C . 51977 1 531 . 1 . 1 124 124 HIS CA C 13 57.062 . . . . . . . . 124 HIS CA . 51977 1 532 . 1 . 1 124 124 HIS CB C 13 30.011 . . . . . . . . 124 HIS CB . 51977 1 533 . 1 . 1 124 124 HIS N N 15 120.956 . . . . . . . . 124 HIS N . 51977 1 534 . 1 . 1 125 125 GLY H H 1 8.514 . . . . . . . . 125 GLY HN . 51977 1 535 . 1 . 1 125 125 GLY C C 13 174.007 . . . . . . . . 125 GLY C . 51977 1 536 . 1 . 1 125 125 GLY CA C 13 45.277 . . . . . . . . 125 GLY CA . 51977 1 537 . 1 . 1 125 125 GLY N N 15 110.459 . . . . . . . . 125 GLY N . 51977 1 538 . 1 . 1 126 126 GLN H H 1 8.406 . . . . . . . . 126 GLN HN . 51977 1 539 . 1 . 1 126 126 GLN C C 13 175.861 . . . . . . . . 126 GLN C . 51977 1 540 . 1 . 1 126 126 GLN CA C 13 55.655 . . . . . . . . 126 GLN CA . 51977 1 541 . 1 . 1 126 126 GLN CB C 13 29.501 . . . . . . . . 126 GLN CB . 51977 1 542 . 1 . 1 126 126 GLN N N 15 119.976 . . . . . . . . 126 GLN N . 51977 1 543 . 1 . 1 127 127 GLN H H 1 8.579 . . . . . . . . 127 GLN HN . 51977 1 544 . 1 . 1 127 127 GLN C C 13 175.759 . . . . . . . . 127 GLN C . 51977 1 545 . 1 . 1 127 127 GLN CA C 13 55.656 . . . . . . . . 127 GLN CA . 51977 1 546 . 1 . 1 127 127 GLN CB C 13 29.456 . . . . . . . . 127 GLN CB . 51977 1 547 . 1 . 1 127 127 GLN N N 15 122.122 . . . . . . . . 127 GLN N . 51977 1 548 . 1 . 1 128 128 VAL H H 1 8.338 . . . . . . . . 128 VAL HN . 51977 1 549 . 1 . 1 128 128 VAL CA C 13 59.932 . . . . . . . . 128 VAL CA . 51977 1 550 . 1 . 1 128 128 VAL CB C 13 32.464 . . . . . . . . 128 VAL CB . 51977 1 551 . 1 . 1 128 128 VAL N N 15 123.215 . . . . . . . . 128 VAL N . 51977 1 552 . 1 . 1 129 129 PRO C C 13 176.174 . . . . . . . . 129 PRO C . 51977 1 553 . 1 . 1 129 129 PRO CA C 13 63.056 . . . . . . . . 129 PRO CA . 51977 1 554 . 1 . 1 129 129 PRO CB C 13 32.064 . . . . . . . . 129 PRO CB . 51977 1 555 . 1 . 1 130 130 TYR H H 1 8.172 . . . . . . . . 130 TYR HN . 51977 1 556 . 1 . 1 130 130 TYR C C 13 175.219 . . . . . . . . 130 TYR C . 51977 1 557 . 1 . 1 130 130 TYR CA C 13 58.009 . . . . . . . . 130 TYR CA . 51977 1 558 . 1 . 1 130 130 TYR CB C 13 38.928 . . . . . . . . 130 TYR CB . 51977 1 559 . 1 . 1 130 130 TYR N N 15 120.466 . . . . . . . . 130 TYR N . 51977 1 560 . 1 . 1 131 131 TYR H H 1 7.906 . . . . . . . . 131 TYR HN . 51977 1 561 . 1 . 1 131 131 TYR C C 13 175.339 . . . . . . . . 131 TYR C . 51977 1 562 . 1 . 1 131 131 TYR CA C 13 57.652 . . . . . . . . 131 TYR CA . 51977 1 563 . 1 . 1 131 131 TYR CB C 13 38.798 . . . . . . . . 131 TYR CB . 51977 1 564 . 1 . 1 131 131 TYR N N 15 121.581 . . . . . . . . 131 TYR N . 51977 1 565 . 1 . 1 132 132 LEU H H 1 8.237 . . . . . . . . 132 LEU HN . 51977 1 566 . 1 . 1 132 132 LEU C C 13 176.800 . . . . . . . . 132 LEU C . 51977 1 567 . 1 . 1 132 132 LEU CA C 13 54.882 . . . . . . . . 132 LEU CA . 51977 1 568 . 1 . 1 132 132 LEU CB C 13 42.495 . . . . . . . . 132 LEU CB . 51977 1 569 . 1 . 1 132 132 LEU N N 15 125.309 . . . . . . . . 132 LEU N . 51977 1 570 . 1 . 1 133 133 GLU H H 1 8.360 . . . . . . . . 133 GLU HN . 51977 1 571 . 1 . 1 133 133 GLU C C 13 176.076 . . . . . . . . 133 GLU C . 51977 1 572 . 1 . 1 133 133 GLU CA C 13 56.780 . . . . . . . . 133 GLU CA . 51977 1 573 . 1 . 1 133 133 GLU CB C 13 30.203 . . . . . . . . 133 GLU CB . 51977 1 574 . 1 . 1 133 133 GLU N N 15 121.645 . . . . . . . . 133 GLU N . 51977 1 575 . 1 . 1 134 134 ASN H H 1 8.441 . . . . . . . . 134 ASN HN . 51977 1 576 . 1 . 1 134 134 ASN C C 13 174.683 . . . . . . . . 134 ASN C . 51977 1 577 . 1 . 1 134 134 ASN CA C 13 53.140 . . . . . . . . 134 ASN CA . 51977 1 578 . 1 . 1 134 134 ASN CB C 13 38.993 . . . . . . . . 134 ASN CB . 51977 1 579 . 1 . 1 134 134 ASN N N 15 118.638 . . . . . . . . 134 ASN N . 51977 1 580 . 1 . 1 135 135 GLU H H 1 8.296 . . . . . . . . 135 GLU HN . 51977 1 581 . 1 . 1 135 135 GLU CA C 13 54.396 . . . . . . . . 135 GLU CA . 51977 1 582 . 1 . 1 135 135 GLU CB C 13 29.794 . . . . . . . . 135 GLU CB . 51977 1 583 . 1 . 1 135 135 GLU N N 15 122.201 . . . . . . . . 135 GLU N . 51977 1 584 . 1 . 1 136 136 PRO C C 13 177.085 . . . . . . . . 136 PRO C . 51977 1 585 . 1 . 1 136 136 PRO CA C 13 63.401 . . . . . . . . 136 PRO CA . 51977 1 586 . 1 . 1 136 136 PRO CB C 13 32.047 . . . . . . . . 136 PRO CB . 51977 1 587 . 1 . 1 137 137 SER H H 1 8.559 . . . . . . . . 137 SER HN . 51977 1 588 . 1 . 1 137 137 SER C C 13 175.198 . . . . . . . . 137 SER C . 51977 1 589 . 1 . 1 137 137 SER CA C 13 58.774 . . . . . . . . 137 SER CA . 51977 1 590 . 1 . 1 137 137 SER CB C 13 63.785 . . . . . . . . 137 SER CB . 51977 1 591 . 1 . 1 137 137 SER N N 15 116.152 . . . . . . . . 137 SER N . 51977 1 592 . 1 . 1 138 138 GLY H H 1 8.454 . . . . . . . . 138 GLY HN . 51977 1 593 . 1 . 1 138 138 GLY C C 13 173.723 . . . . . . . . 138 GLY C . 51977 1 594 . 1 . 1 138 138 GLY CA C 13 45.216 . . . . . . . . 138 GLY CA . 51977 1 595 . 1 . 1 138 138 GLY N N 15 110.815 . . . . . . . . 138 GLY N . 51977 1 596 . 1 . 1 139 139 TYR H H 1 8.099 . . . . . . . . 139 TYR HN . 51977 1 597 . 1 . 1 139 139 TYR C C 13 175.777 . . . . . . . . 139 TYR C . 51977 1 598 . 1 . 1 139 139 TYR CA C 13 58.018 . . . . . . . . 139 TYR CA . 51977 1 599 . 1 . 1 139 139 TYR CB C 13 38.921 . . . . . . . . 139 TYR CB . 51977 1 600 . 1 . 1 139 139 TYR N N 15 120.148 . . . . . . . . 139 TYR N . 51977 1 601 . 1 . 1 140 140 THR H H 1 8.133 . . . . . . . . 140 THR HN . 51977 1 602 . 1 . 1 140 140 THR C C 13 173.856 . . . . . . . . 140 THR C . 51977 1 603 . 1 . 1 140 140 THR CA C 13 61.762 . . . . . . . . 140 THR CA . 51977 1 604 . 1 . 1 140 140 THR CB C 13 70.120 . . . . . . . . 140 THR CB . 51977 1 605 . 1 . 1 140 140 THR N N 15 117.386 . . . . . . . . 140 THR N . 51977 1 606 . 1 . 1 141 141 VAL H H 1 8.269 . . . . . . . . 141 VAL HN . 51977 1 607 . 1 . 1 141 141 VAL C C 13 175.978 . . . . . . . . 141 VAL C . 51977 1 608 . 1 . 1 141 141 VAL CA C 13 62.438 . . . . . . . . 141 VAL CA . 51977 1 609 . 1 . 1 141 141 VAL CB C 13 33.004 . . . . . . . . 141 VAL CB . 51977 1 610 . 1 . 1 141 141 VAL N N 15 123.460 . . . . . . . . 141 VAL N . 51977 1 611 . 1 . 1 142 142 ARG H H 1 8.487 . . . . . . . . 142 ARG HN . 51977 1 612 . 1 . 1 142 142 ARG C C 13 176.138 . . . . . . . . 142 ARG C . 51977 1 613 . 1 . 1 142 142 ARG CA C 13 56.004 . . . . . . . . 142 ARG CA . 51977 1 614 . 1 . 1 142 142 ARG CB C 13 30.927 . . . . . . . . 142 ARG CB . 51977 1 615 . 1 . 1 142 142 ARG N N 15 125.655 . . . . . . . . 142 ARG N . 51977 1 616 . 1 . 1 143 143 GLU H H 1 8.552 . . . . . . . . 143 GLU HN . 51977 1 617 . 1 . 1 143 143 GLU C C 13 175.996 . . . . . . . . 143 GLU C . 51977 1 618 . 1 . 1 143 143 GLU CA C 13 56.507 . . . . . . . . 143 GLU CA . 51977 1 619 . 1 . 1 143 143 GLU CB C 13 30.259 . . . . . . . . 143 GLU CB . 51977 1 620 . 1 . 1 143 143 GLU N N 15 122.870 . . . . . . . . 143 GLU N . 51977 1 621 . 1 . 1 144 144 ALA H H 1 8.485 . . . . . . . . 144 ALA HN . 51977 1 622 . 1 . 1 144 144 ALA C C 13 177.776 . . . . . . . . 144 ALA C . 51977 1 623 . 1 . 1 144 144 ALA CA C 13 52.558 . . . . . . . . 144 ALA CA . 51977 1 624 . 1 . 1 144 144 ALA CB C 13 19.458 . . . . . . . . 144 ALA CB . 51977 1 625 . 1 . 1 144 144 ALA N N 15 125.394 . . . . . . . . 144 ALA N . 51977 1 626 . 1 . 1 145 145 GLY H H 1 8.242 . . . . . . . . 145 GLY HN . 51977 1 627 . 1 . 1 145 145 GLY CA C 13 44.349 . . . . . . . . 145 GLY CA . 51977 1 628 . 1 . 1 145 145 GLY N N 15 108.327 . . . . . . . . 145 GLY N . 51977 1 629 . 1 . 1 147 147 PRO C C 13 176.530 . . . . . . . . 147 PRO C . 51977 1 630 . 1 . 1 147 147 PRO CA C 13 62.941 . . . . . . . . 147 PRO CA . 51977 1 631 . 1 . 1 147 147 PRO CB C 13 32.035 . . . . . . . . 147 PRO CB . 51977 1 632 . 1 . 1 148 148 ALA H H 1 8.436 . . . . . . . . 148 ALA HN . 51977 1 633 . 1 . 1 148 148 ALA C C 13 177.246 . . . . . . . . 148 ALA C . 51977 1 634 . 1 . 1 148 148 ALA CA C 13 52.487 . . . . . . . . 148 ALA CA . 51977 1 635 . 1 . 1 148 148 ALA CB C 13 19.252 . . . . . . . . 148 ALA CB . 51977 1 636 . 1 . 1 148 148 ALA N N 15 123.785 . . . . . . . . 148 ALA N . 51977 1 637 . 1 . 1 149 149 PHE H H 1 8.098 . . . . . . . . 149 PHE HN . 51977 1 638 . 1 . 1 149 149 PHE C C 13 174.944 . . . . . . . . 149 PHE C . 51977 1 639 . 1 . 1 149 149 PHE CA C 13 57.510 . . . . . . . . 149 PHE CA . 51977 1 640 . 1 . 1 149 149 PHE CB C 13 39.783 . . . . . . . . 149 PHE CB . 51977 1 641 . 1 . 1 149 149 PHE N N 15 118.568 . . . . . . . . 149 PHE N . 51977 1 642 . 1 . 1 150 150 TYR H H 1 8.167 . . . . . . . . 150 TYR HN . 51977 1 643 . 1 . 1 150 150 TYR C C 13 174.632 . . . . . . . . 150 TYR C . 51977 1 644 . 1 . 1 150 150 TYR CA C 13 57.691 . . . . . . . . 150 TYR CA . 51977 1 645 . 1 . 1 150 150 TYR CB C 13 39.075 . . . . . . . . 150 TYR CB . 51977 1 646 . 1 . 1 150 150 TYR N N 15 122.596 . . . . . . . . 150 TYR N . 51977 1 647 . 1 . 1 151 151 ARG H H 1 8.198 . . . . . . . . 151 ARG HN . 51977 1 648 . 1 . 1 151 151 ARG CA C 13 53.315 . . . . . . . . 151 ARG CA . 51977 1 649 . 1 . 1 151 151 ARG CB C 13 30.676 . . . . . . . . 151 ARG CB . 51977 1 650 . 1 . 1 151 151 ARG N N 15 125.656 . . . . . . . . 151 ARG N . 51977 1 651 . 1 . 1 152 152 PRO C C 13 176.630 . . . . . . . . 152 PRO C . 51977 1 652 . 1 . 1 152 152 PRO CA C 13 63.092 . . . . . . . . 152 PRO CA . 51977 1 653 . 1 . 1 152 152 PRO CB C 13 32.123 . . . . . . . . 152 PRO CB . 51977 1 654 . 1 . 1 153 153 ASN H H 1 8.691 . . . . . . . . 153 ASN HN . 51977 1 655 . 1 . 1 153 153 ASN C C 13 175.455 . . . . . . . . 153 ASN C . 51977 1 656 . 1 . 1 153 153 ASN CA C 13 53.476 . . . . . . . . 153 ASN CA . 51977 1 657 . 1 . 1 153 153 ASN CB C 13 38.643 . . . . . . . . 153 ASN CB . 51977 1 658 . 1 . 1 153 153 ASN N N 15 118.809 . . . . . . . . 153 ASN N . 51977 1 659 . 1 . 1 154 154 SER H H 1 8.354 . . . . . . . . 154 SER HN . 51977 1 660 . 1 . 1 154 154 SER C C 13 174.300 . . . . . . . . 154 SER C . 51977 1 661 . 1 . 1 154 154 SER CA C 13 58.742 . . . . . . . . 154 SER CA . 51977 1 662 . 1 . 1 154 154 SER CB C 13 63.773 . . . . . . . . 154 SER CB . 51977 1 663 . 1 . 1 154 154 SER N N 15 115.983 . . . . . . . . 154 SER N . 51977 1 664 . 1 . 1 155 155 ASP H H 1 8.418 . . . . . . . . 155 ASP HN . 51977 1 665 . 1 . 1 155 155 ASP C C 13 176.188 . . . . . . . . 155 ASP C . 51977 1 666 . 1 . 1 155 155 ASP CA C 13 54.373 . . . . . . . . 155 ASP CA . 51977 1 667 . 1 . 1 155 155 ASP CB C 13 40.990 . . . . . . . . 155 ASP CB . 51977 1 668 . 1 . 1 155 155 ASP N N 15 122.141 . . . . . . . . 155 ASP N . 51977 1 669 . 1 . 1 156 156 ASN H H 1 8.438 . . . . . . . . 156 ASN HN . 51977 1 670 . 1 . 1 156 156 ASN CA C 13 53.548 . . . . . . . . 156 ASN CA . 51977 1 671 . 1 . 1 156 156 ASN CB C 13 38.449 . . . . . . . . 156 ASN CB . 51977 1 672 . 1 . 1 156 156 ASN N N 15 119.707 . . . . . . . . 156 ASN N . 51977 1 673 . 1 . 1 157 157 ARG C C 13 176.683 . . . . . . . . 157 ARG C . 51977 1 674 . 1 . 1 157 157 ARG CA C 13 56.486 . . . . . . . . 157 ARG CA . 51977 1 675 . 1 . 1 157 157 ARG CB C 13 30.475 . . . . . . . . 157 ARG CB . 51977 1 676 . 1 . 1 158 158 ARG H H 1 8.379 . . . . . . . . 158 ARG HN . 51977 1 677 . 1 . 1 158 158 ARG C C 13 176.456 . . . . . . . . 158 ARG C . 51977 1 678 . 1 . 1 158 158 ARG CA C 13 56.408 . . . . . . . . 158 ARG CA . 51977 1 679 . 1 . 1 158 158 ARG CB C 13 30.484 . . . . . . . . 158 ARG CB . 51977 1 680 . 1 . 1 158 158 ARG N N 15 121.452 . . . . . . . . 158 ARG N . 51977 1 681 . 1 . 1 159 159 GLN H H 1 8.535 . . . . . . . . 159 GLN HN . 51977 1 682 . 1 . 1 159 159 GLN C C 13 176.535 . . . . . . . . 159 GLN C . 51977 1 683 . 1 . 1 159 159 GLN CA C 13 55.981 . . . . . . . . 159 GLN CA . 51977 1 684 . 1 . 1 159 159 GLN CB C 13 29.386 . . . . . . . . 159 GLN CB . 51977 1 685 . 1 . 1 159 159 GLN N N 15 121.681 . . . . . . . . 159 GLN N . 51977 1 686 . 1 . 1 160 160 GLY H H 1 8.607 . . . . . . . . 160 GLY HN . 51977 1 687 . 1 . 1 160 160 GLY C C 13 174.630 . . . . . . . . 160 GLY C . 51977 1 688 . 1 . 1 160 160 GLY CA C 13 45.349 . . . . . . . . 160 GLY CA . 51977 1 689 . 1 . 1 160 160 GLY N N 15 110.578 . . . . . . . . 160 GLY N . 51977 1 690 . 1 . 1 161 161 GLY H H 1 8.441 . . . . . . . . 161 GLY HN . 51977 1 691 . 1 . 1 161 161 GLY C C 13 174.403 . . . . . . . . 161 GLY C . 51977 1 692 . 1 . 1 161 161 GLY CA C 13 45.268 . . . . . . . . 161 GLY CA . 51977 1 693 . 1 . 1 161 161 GLY N N 15 108.904 . . . . . . . . 161 GLY N . 51977 1 694 . 1 . 1 162 162 ARG H H 1 8.360 . . . . . . . . 162 ARG HN . 51977 1 695 . 1 . 1 162 162 ARG C C 13 176.586 . . . . . . . . 162 ARG C . 51977 1 696 . 1 . 1 162 162 ARG CA C 13 56.394 . . . . . . . . 162 ARG CA . 51977 1 697 . 1 . 1 162 162 ARG CB C 13 30.726 . . . . . . . . 162 ARG CB . 51977 1 698 . 1 . 1 162 162 ARG N N 15 120.557 . . . . . . . . 162 ARG N . 51977 1 699 . 1 . 1 163 163 GLU H H 1 8.678 . . . . . . . . 163 GLU HN . 51977 1 700 . 1 . 1 163 163 GLU C C 13 176.475 . . . . . . . . 163 GLU C . 51977 1 701 . 1 . 1 163 163 GLU CA C 13 56.874 . . . . . . . . 163 GLU CA . 51977 1 702 . 1 . 1 163 163 GLU CB C 13 29.959 . . . . . . . . 163 GLU CB . 51977 1 703 . 1 . 1 163 163 GLU N N 15 121.993 . . . . . . . . 163 GLU N . 51977 1 704 . 1 . 1 164 164 ARG H H 1 8.441 . . . . . . . . 164 ARG HN . 51977 1 705 . 1 . 1 164 164 ARG C C 13 176.236 . . . . . . . . 164 ARG C . 51977 1 706 . 1 . 1 164 164 ARG CA C 13 56.207 . . . . . . . . 164 ARG CA . 51977 1 707 . 1 . 1 164 164 ARG CB C 13 30.652 . . . . . . . . 164 ARG CB . 51977 1 708 . 1 . 1 164 164 ARG N N 15 122.504 . . . . . . . . 164 ARG N . 51977 1 709 . 1 . 1 165 165 LEU H H 1 8.364 . . . . . . . . 165 LEU HN . 51977 1 710 . 1 . 1 165 165 LEU C C 13 177.177 . . . . . . . . 165 LEU C . 51977 1 711 . 1 . 1 165 165 LEU CA C 13 54.998 . . . . . . . . 165 LEU CA . 51977 1 712 . 1 . 1 165 165 LEU CB C 13 42.331 . . . . . . . . 165 LEU CB . 51977 1 713 . 1 . 1 165 165 LEU N N 15 123.885 . . . . . . . . 165 LEU N . 51977 1 714 . 1 . 1 166 166 ALA H H 1 8.437 . . . . . . . . 166 ALA HN . 51977 1 715 . 1 . 1 166 166 ALA C C 13 177.838 . . . . . . . . 166 ALA C . 51977 1 716 . 1 . 1 166 166 ALA CA C 13 52.611 . . . . . . . . 166 ALA CA . 51977 1 717 . 1 . 1 166 166 ALA CB C 13 19.198 . . . . . . . . 166 ALA CB . 51977 1 718 . 1 . 1 166 166 ALA N N 15 125.226 . . . . . . . . 166 ALA N . 51977 1 719 . 1 . 1 167 167 SER H H 1 8.436 . . . . . . . . 167 SER HN . 51977 1 720 . 1 . 1 167 167 SER C C 13 174.356 . . . . . . . . 167 SER C . 51977 1 721 . 1 . 1 167 167 SER CA C 13 58.198 . . . . . . . . 167 SER CA . 51977 1 722 . 1 . 1 167 167 SER CB C 13 63.867 . . . . . . . . 167 SER CB . 51977 1 723 . 1 . 1 167 167 SER N N 15 115.317 . . . . . . . . 167 SER N . 51977 1 724 . 1 . 1 168 168 THR H H 1 8.285 . . . . . . . . 168 THR HN . 51977 1 725 . 1 . 1 168 168 THR C C 13 174.418 . . . . . . . . 168 THR C . 51977 1 726 . 1 . 1 168 168 THR CA C 13 62.025 . . . . . . . . 168 THR CA . 51977 1 727 . 1 . 1 168 168 THR CB C 13 69.615 . . . . . . . . 168 THR CB . 51977 1 728 . 1 . 1 168 168 THR N N 15 115.639 . . . . . . . . 168 THR N . 51977 1 729 . 1 . 1 169 169 ASN H H 1 8.479 . . . . . . . . 169 ASN HN . 51977 1 730 . 1 . 1 169 169 ASN C C 13 174.919 . . . . . . . . 169 ASN C . 51977 1 731 . 1 . 1 169 169 ASN CA C 13 53.269 . . . . . . . . 169 ASN CA . 51977 1 732 . 1 . 1 169 169 ASN CB C 13 38.824 . . . . . . . . 169 ASN CB . 51977 1 733 . 1 . 1 169 169 ASN N N 15 120.564 . . . . . . . . 169 ASN N . 51977 1 734 . 1 . 1 170 170 ASP H H 1 8.337 . . . . . . . . 170 ASP HN . 51977 1 735 . 1 . 1 170 170 ASP C C 13 176.538 . . . . . . . . 170 ASP C . 51977 1 736 . 1 . 1 170 170 ASP CA C 13 54.439 . . . . . . . . 170 ASP CA . 51977 1 737 . 1 . 1 170 170 ASP CB C 13 41.074 . . . . . . . . 170 ASP CB . 51977 1 738 . 1 . 1 170 170 ASP N N 15 121.126 . . . . . . . . 170 ASP N . 51977 1 739 . 1 . 1 171 171 LYS H H 1 8.451 . . . . . . . . 171 LYS HN . 51977 1 740 . 1 . 1 171 171 LYS C C 13 177.527 . . . . . . . . 171 LYS C . 51977 1 741 . 1 . 1 171 171 LYS CA C 13 56.747 . . . . . . . . 171 LYS CA . 51977 1 742 . 1 . 1 171 171 LYS CB C 13 32.525 . . . . . . . . 171 LYS CB . 51977 1 743 . 1 . 1 171 171 LYS N N 15 121.925 . . . . . . . . 171 LYS N . 51977 1 744 . 1 . 1 172 172 GLY H H 1 8.512 . . . . . . . . 172 GLY HN . 51977 1 745 . 1 . 1 172 172 GLY C C 13 174.486 . . . . . . . . 172 GLY C . 51977 1 746 . 1 . 1 172 172 GLY CA C 13 45.010 . . . . . . . . 172 GLY CA . 51977 1 747 . 1 . 1 172 172 GLY N N 15 109.500 . . . . . . . . 172 GLY N . 51977 1 748 . 1 . 1 173 173 SER H H 1 8.267 . . . . . . . . 173 SER HN . 51977 1 749 . 1 . 1 173 173 SER C C 13 174.954 . . . . . . . . 173 SER C . 51977 1 750 . 1 . 1 173 173 SER CA C 13 58.754 . . . . . . . . 173 SER CA . 51977 1 751 . 1 . 1 173 173 SER CB C 13 63.730 . . . . . . . . 173 SER CB . 51977 1 752 . 1 . 1 173 173 SER N N 15 115.885 . . . . . . . . 173 SER N . 51977 1 753 . 1 . 1 174 174 MET H H 1 8.466 . . . . . . . . 174 MET HN . 51977 1 754 . 1 . 1 174 174 MET C C 13 176.257 . . . . . . . . 174 MET C . 51977 1 755 . 1 . 1 174 174 MET CA C 13 55.699 . . . . . . . . 174 MET CA . 51977 1 756 . 1 . 1 174 174 MET CB C 13 32.616 . . . . . . . . 174 MET CB . 51977 1 757 . 1 . 1 174 174 MET N N 15 122.259 . . . . . . . . 174 MET N . 51977 1 758 . 1 . 1 175 175 ALA H H 1 8.313 . . . . . . . . 175 ALA HN . 51977 1 759 . 1 . 1 175 175 ALA C C 13 177.959 . . . . . . . . 175 ALA C . 51977 1 760 . 1 . 1 175 175 ALA CA C 13 52.799 . . . . . . . . 175 ALA CA . 51977 1 761 . 1 . 1 175 175 ALA CB C 13 18.976 . . . . . . . . 175 ALA CB . 51977 1 762 . 1 . 1 175 175 ALA N N 15 124.894 . . . . . . . . 175 ALA N . 51977 1 763 . 1 . 1 176 176 MET H H 1 8.380 . . . . . . . . 176 MET HN . 51977 1 764 . 1 . 1 176 176 MET C C 13 176.673 . . . . . . . . 176 MET C . 51977 1 765 . 1 . 1 176 176 MET CA C 13 55.601 . . . . . . . . 176 MET CA . 51977 1 766 . 1 . 1 176 176 MET CB C 13 32.805 . . . . . . . . 176 MET CB . 51977 1 767 . 1 . 1 176 176 MET N N 15 119.725 . . . . . . . . 176 MET N . 51977 1 768 . 1 . 1 177 177 GLU H H 1 8.519 . . . . . . . . 177 GLU HN . 51977 1 769 . 1 . 1 177 177 GLU C C 13 176.806 . . . . . . . . 177 GLU C . 51977 1 770 . 1 . 1 177 177 GLU CA C 13 56.862 . . . . . . . . 177 GLU CA . 51977 1 771 . 1 . 1 177 177 GLU CB C 13 30.179 . . . . . . . . 177 GLU CB . 51977 1 772 . 1 . 1 177 177 GLU N N 15 122.318 . . . . . . . . 177 GLU N . 51977 1 773 . 1 . 1 178 178 SER H H 1 8.437 . . . . . . . . 178 SER HN . 51977 1 774 . 1 . 1 178 178 SER C C 13 174.420 . . . . . . . . 178 SER C . 51977 1 775 . 1 . 1 178 178 SER CA C 13 58.631 . . . . . . . . 178 SER CA . 51977 1 776 . 1 . 1 178 178 SER CB C 13 63.737 . . . . . . . . 178 SER CB . 51977 1 777 . 1 . 1 178 178 SER N N 15 117.102 . . . . . . . . 178 SER N . 51977 1 778 . 1 . 1 179 179 ALA H H 1 8.383 . . . . . . . . 179 ALA HN . 51977 1 779 . 1 . 1 179 179 ALA C C 13 177.825 . . . . . . . . 179 ALA C . 51977 1 780 . 1 . 1 179 179 ALA CA C 13 52.656 . . . . . . . . 179 ALA CA . 51977 1 781 . 1 . 1 179 179 ALA CB C 13 19.058 . . . . . . . . 179 ALA CB . 51977 1 782 . 1 . 1 179 179 ALA N N 15 125.952 . . . . . . . . 179 ALA N . 51977 1 783 . 1 . 1 180 180 LYS H H 1 8.298 . . . . . . . . 180 LYS HN . 51977 1 784 . 1 . 1 180 180 LYS C C 13 176.663 . . . . . . . . 180 LYS C . 51977 1 785 . 1 . 1 180 180 LYS CA C 13 56.504 . . . . . . . . 180 LYS CA . 51977 1 786 . 1 . 1 180 180 LYS CB C 13 33.062 . . . . . . . . 180 LYS CB . 51977 1 787 . 1 . 1 180 180 LYS N N 15 120.648 . . . . . . . . 180 LYS N . 51977 1 788 . 1 . 1 181 181 GLU H H 1 8.474 . . . . . . . . 181 GLU HN . 51977 1 789 . 1 . 1 181 181 GLU C C 13 176.446 . . . . . . . . 181 GLU C . 51977 1 790 . 1 . 1 181 181 GLU CA C 13 56.531 . . . . . . . . 181 GLU CA . 51977 1 791 . 1 . 1 181 181 GLU CB C 13 30.320 . . . . . . . . 181 GLU CB . 51977 1 792 . 1 . 1 181 181 GLU N N 15 121.992 . . . . . . . . 181 GLU N . 51977 1 793 . 1 . 1 182 182 THR H H 1 8.305 . . . . . . . . 182 THR HN . 51977 1 794 . 1 . 1 182 182 THR C C 13 174.053 . . . . . . . . 182 THR C . 51977 1 795 . 1 . 1 182 182 THR CA C 13 62.000 . . . . . . . . 182 THR CA . 51977 1 796 . 1 . 1 182 182 THR CB C 13 69.790 . . . . . . . . 182 THR CB . 51977 1 797 . 1 . 1 182 182 THR N N 15 116.912 . . . . . . . . 182 THR N . 51977 1 798 . 1 . 1 183 183 ARG H H 1 8.439 . . . . . . . . 183 ARG HN . 51977 1 799 . 1 . 1 183 183 ARG C C 13 174.855 . . . . . . . . 183 ARG C . 51977 1 800 . 1 . 1 183 183 ARG CA C 13 55.885 . . . . . . . . 183 ARG CA . 51977 1 801 . 1 . 1 183 183 ARG CB C 13 30.922 . . . . . . . . 183 ARG CB . 51977 1 802 . 1 . 1 183 183 ARG N N 15 124.574 . . . . . . . . 183 ARG N . 51977 1 803 . 1 . 1 184 184 TYR H H 1 7.864 . . . . . . . . 184 TYR HN . 51977 1 804 . 1 . 1 184 184 TYR CA C 13 58.500 . . . . . . . . 184 TYR CA . 51977 1 805 . 1 . 1 184 184 TYR CB C 13 39.480 . . . . . . . . 184 TYR CB . 51977 1 806 . 1 . 1 184 184 TYR N N 15 126.240 . . . . . . . . 184 TYR N . 51977 1 stop_ save_