data_51976 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51976 _Entry.Title ; Phosphomimetic mutant ER-NTD (S118D): 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 'phosphomimetic mutant ER-NTD (S118D)' _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 51976 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51976 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 495 51976 '15N chemical shifts' 153 51976 '1H chemical shifts' 153 51976 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 . 51976 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' 51976 BMRB 51977 'chemical shift assignments for Phosphorylated Ser118 (pS118) of ER-NTD' 51976 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51976 _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 . . . . 51976 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51976 _Assembly.ID 1 _Assembly.Name 'phosphomimetic mutant ER-NTD (S118D)' _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 'phosphomimetic mutant ER-NTD (S118D)' 1 $entity_1 . . yes native no no . . . 51976 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'phosphomimetic mutation for ER activation function in the absence of activating hormones' 51976 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51976 _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 NSVSPSPLMLLHPPPQLDPF 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 no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 184 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state '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' . . . . . . . . . . . . . . 51976 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'phosphomimetic mutation for ER activation function in the absence of activating hormones' 51976 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 . 51976 1 2 . THR . 51976 1 3 . MET . 51976 1 4 . THR . 51976 1 5 . LEU . 51976 1 6 . HIS . 51976 1 7 . THR . 51976 1 8 . LYS . 51976 1 9 . ALA . 51976 1 10 . SER . 51976 1 11 . GLY . 51976 1 12 . MET . 51976 1 13 . ALA . 51976 1 14 . LEU . 51976 1 15 . LEU . 51976 1 16 . HIS . 51976 1 17 . GLN . 51976 1 18 . ILE . 51976 1 19 . GLN . 51976 1 20 . GLY . 51976 1 21 . ASN . 51976 1 22 . GLU . 51976 1 23 . LEU . 51976 1 24 . GLU . 51976 1 25 . PRO . 51976 1 26 . LEU . 51976 1 27 . ASN . 51976 1 28 . ARG . 51976 1 29 . PRO . 51976 1 30 . GLN . 51976 1 31 . LEU . 51976 1 32 . LYS . 51976 1 33 . ILE . 51976 1 34 . PRO . 51976 1 35 . LEU . 51976 1 36 . GLU . 51976 1 37 . ARG . 51976 1 38 . PRO . 51976 1 39 . LEU . 51976 1 40 . GLY . 51976 1 41 . GLU . 51976 1 42 . VAL . 51976 1 43 . TYR . 51976 1 44 . LEU . 51976 1 45 . ASP . 51976 1 46 . SER . 51976 1 47 . SER . 51976 1 48 . LYS . 51976 1 49 . PRO . 51976 1 50 . ALA . 51976 1 51 . VAL . 51976 1 52 . TYR . 51976 1 53 . ASN . 51976 1 54 . TYR . 51976 1 55 . PRO . 51976 1 56 . GLU . 51976 1 57 . GLY . 51976 1 58 . ALA . 51976 1 59 . ALA . 51976 1 60 . TYR . 51976 1 61 . GLU . 51976 1 62 . PHE . 51976 1 63 . ASN . 51976 1 64 . ALA . 51976 1 65 . ALA . 51976 1 66 . ALA . 51976 1 67 . ALA . 51976 1 68 . ALA . 51976 1 69 . ASN . 51976 1 70 . ALA . 51976 1 71 . GLN . 51976 1 72 . VAL . 51976 1 73 . TYR . 51976 1 74 . GLY . 51976 1 75 . GLN . 51976 1 76 . THR . 51976 1 77 . GLY . 51976 1 78 . LEU . 51976 1 79 . PRO . 51976 1 80 . TYR . 51976 1 81 . GLY . 51976 1 82 . PRO . 51976 1 83 . GLY . 51976 1 84 . SER . 51976 1 85 . GLU . 51976 1 86 . ALA . 51976 1 87 . ALA . 51976 1 88 . ALA . 51976 1 89 . PHE . 51976 1 90 . GLY . 51976 1 91 . SER . 51976 1 92 . ASN . 51976 1 93 . GLY . 51976 1 94 . LEU . 51976 1 95 . GLY . 51976 1 96 . GLY . 51976 1 97 . PHE . 51976 1 98 . PRO . 51976 1 99 . PRO . 51976 1 100 . LEU . 51976 1 101 . ASN . 51976 1 102 . SER . 51976 1 103 . VAL . 51976 1 104 . SER . 51976 1 105 . PRO . 51976 1 106 . SER . 51976 1 107 . PRO . 51976 1 108 . LEU . 51976 1 109 . MET . 51976 1 110 . LEU . 51976 1 111 . LEU . 51976 1 112 . HIS . 51976 1 113 . PRO . 51976 1 114 . PRO . 51976 1 115 . PRO . 51976 1 116 . GLN . 51976 1 117 . LEU . 51976 1 118 . ASP . 51976 1 119 . PRO . 51976 1 120 . PHE . 51976 1 121 . LEU . 51976 1 122 . GLN . 51976 1 123 . PRO . 51976 1 124 . HIS . 51976 1 125 . GLY . 51976 1 126 . GLN . 51976 1 127 . GLN . 51976 1 128 . VAL . 51976 1 129 . PRO . 51976 1 130 . TYR . 51976 1 131 . TYR . 51976 1 132 . LEU . 51976 1 133 . GLU . 51976 1 134 . ASN . 51976 1 135 . GLU . 51976 1 136 . PRO . 51976 1 137 . SER . 51976 1 138 . GLY . 51976 1 139 . TYR . 51976 1 140 . THR . 51976 1 141 . VAL . 51976 1 142 . ARG . 51976 1 143 . GLU . 51976 1 144 . ALA . 51976 1 145 . GLY . 51976 1 146 . PRO . 51976 1 147 . PRO . 51976 1 148 . ALA . 51976 1 149 . PHE . 51976 1 150 . TYR . 51976 1 151 . ARG . 51976 1 152 . PRO . 51976 1 153 . ASN . 51976 1 154 . SER . 51976 1 155 . ASP . 51976 1 156 . ASN . 51976 1 157 . ARG . 51976 1 158 . ARG . 51976 1 159 . GLN . 51976 1 160 . GLY . 51976 1 161 . GLY . 51976 1 162 . ARG . 51976 1 163 . GLU . 51976 1 164 . ARG . 51976 1 165 . LEU . 51976 1 166 . ALA . 51976 1 167 . SER . 51976 1 168 . THR . 51976 1 169 . ASN . 51976 1 170 . ASP . 51976 1 171 . LYS . 51976 1 172 . GLY . 51976 1 173 . SER . 51976 1 174 . MET . 51976 1 175 . ALA . 51976 1 176 . MET . 51976 1 177 . GLU . 51976 1 178 . SER . 51976 1 179 . ALA . 51976 1 180 . LYS . 51976 1 181 . GLU . 51976 1 182 . THR . 51976 1 183 . ARG . 51976 1 184 . TYR . 51976 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 51976 1 . THR 2 2 51976 1 . MET 3 3 51976 1 . THR 4 4 51976 1 . LEU 5 5 51976 1 . HIS 6 6 51976 1 . THR 7 7 51976 1 . LYS 8 8 51976 1 . ALA 9 9 51976 1 . SER 10 10 51976 1 . GLY 11 11 51976 1 . MET 12 12 51976 1 . ALA 13 13 51976 1 . LEU 14 14 51976 1 . LEU 15 15 51976 1 . HIS 16 16 51976 1 . GLN 17 17 51976 1 . ILE 18 18 51976 1 . GLN 19 19 51976 1 . GLY 20 20 51976 1 . ASN 21 21 51976 1 . GLU 22 22 51976 1 . LEU 23 23 51976 1 . GLU 24 24 51976 1 . PRO 25 25 51976 1 . LEU 26 26 51976 1 . ASN 27 27 51976 1 . ARG 28 28 51976 1 . PRO 29 29 51976 1 . GLN 30 30 51976 1 . LEU 31 31 51976 1 . LYS 32 32 51976 1 . ILE 33 33 51976 1 . PRO 34 34 51976 1 . LEU 35 35 51976 1 . GLU 36 36 51976 1 . ARG 37 37 51976 1 . PRO 38 38 51976 1 . LEU 39 39 51976 1 . GLY 40 40 51976 1 . GLU 41 41 51976 1 . VAL 42 42 51976 1 . TYR 43 43 51976 1 . LEU 44 44 51976 1 . ASP 45 45 51976 1 . SER 46 46 51976 1 . SER 47 47 51976 1 . LYS 48 48 51976 1 . PRO 49 49 51976 1 . ALA 50 50 51976 1 . VAL 51 51 51976 1 . TYR 52 52 51976 1 . ASN 53 53 51976 1 . TYR 54 54 51976 1 . PRO 55 55 51976 1 . GLU 56 56 51976 1 . GLY 57 57 51976 1 . ALA 58 58 51976 1 . ALA 59 59 51976 1 . TYR 60 60 51976 1 . GLU 61 61 51976 1 . PHE 62 62 51976 1 . ASN 63 63 51976 1 . ALA 64 64 51976 1 . ALA 65 65 51976 1 . ALA 66 66 51976 1 . ALA 67 67 51976 1 . ALA 68 68 51976 1 . ASN 69 69 51976 1 . ALA 70 70 51976 1 . GLN 71 71 51976 1 . VAL 72 72 51976 1 . TYR 73 73 51976 1 . GLY 74 74 51976 1 . GLN 75 75 51976 1 . THR 76 76 51976 1 . GLY 77 77 51976 1 . LEU 78 78 51976 1 . PRO 79 79 51976 1 . TYR 80 80 51976 1 . GLY 81 81 51976 1 . PRO 82 82 51976 1 . GLY 83 83 51976 1 . SER 84 84 51976 1 . GLU 85 85 51976 1 . ALA 86 86 51976 1 . ALA 87 87 51976 1 . ALA 88 88 51976 1 . PHE 89 89 51976 1 . GLY 90 90 51976 1 . SER 91 91 51976 1 . ASN 92 92 51976 1 . GLY 93 93 51976 1 . LEU 94 94 51976 1 . GLY 95 95 51976 1 . GLY 96 96 51976 1 . PHE 97 97 51976 1 . PRO 98 98 51976 1 . PRO 99 99 51976 1 . LEU 100 100 51976 1 . ASN 101 101 51976 1 . SER 102 102 51976 1 . VAL 103 103 51976 1 . SER 104 104 51976 1 . PRO 105 105 51976 1 . SER 106 106 51976 1 . PRO 107 107 51976 1 . LEU 108 108 51976 1 . MET 109 109 51976 1 . LEU 110 110 51976 1 . LEU 111 111 51976 1 . HIS 112 112 51976 1 . PRO 113 113 51976 1 . PRO 114 114 51976 1 . PRO 115 115 51976 1 . GLN 116 116 51976 1 . LEU 117 117 51976 1 . ASP 118 118 51976 1 . PRO 119 119 51976 1 . PHE 120 120 51976 1 . LEU 121 121 51976 1 . GLN 122 122 51976 1 . PRO 123 123 51976 1 . HIS 124 124 51976 1 . GLY 125 125 51976 1 . GLN 126 126 51976 1 . GLN 127 127 51976 1 . VAL 128 128 51976 1 . PRO 129 129 51976 1 . TYR 130 130 51976 1 . TYR 131 131 51976 1 . LEU 132 132 51976 1 . GLU 133 133 51976 1 . ASN 134 134 51976 1 . GLU 135 135 51976 1 . PRO 136 136 51976 1 . SER 137 137 51976 1 . GLY 138 138 51976 1 . TYR 139 139 51976 1 . THR 140 140 51976 1 . VAL 141 141 51976 1 . ARG 142 142 51976 1 . GLU 143 143 51976 1 . ALA 144 144 51976 1 . GLY 145 145 51976 1 . PRO 146 146 51976 1 . PRO 147 147 51976 1 . ALA 148 148 51976 1 . PHE 149 149 51976 1 . TYR 150 150 51976 1 . ARG 151 151 51976 1 . PRO 152 152 51976 1 . ASN 153 153 51976 1 . SER 154 154 51976 1 . ASP 155 155 51976 1 . ASN 156 156 51976 1 . ARG 157 157 51976 1 . ARG 158 158 51976 1 . GLN 159 159 51976 1 . GLY 160 160 51976 1 . GLY 161 161 51976 1 . ARG 162 162 51976 1 . GLU 163 163 51976 1 . ARG 164 164 51976 1 . LEU 165 165 51976 1 . ALA 166 166 51976 1 . SER 167 167 51976 1 . THR 168 168 51976 1 . ASN 169 169 51976 1 . ASP 170 170 51976 1 . LYS 171 171 51976 1 . GLY 172 172 51976 1 . SER 173 173 51976 1 . MET 174 174 51976 1 . ALA 175 175 51976 1 . MET 176 176 51976 1 . GLU 177 177 51976 1 . SER 178 178 51976 1 . ALA 179 179 51976 1 . LYS 180 180 51976 1 . GLU 181 181 51976 1 . THR 182 182 51976 1 . ARG 183 183 51976 1 . TYR 184 184 51976 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 51976 _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' 51976 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 51976 _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 . . . 51976 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51976 _Sample.ID 1 _Sample.Name 'phosphomimetic mutant ER-NTD (S118D)' _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 'phosphomimetic mutant ER-NTD (S118D)' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 400 . . uM . . . . 51976 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51976 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51976 1 4 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 51976 1 5 PMSF 'natural abundance' . . . . . . 0.1 . . mM . . . . 51976 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 51976 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'phosphomimetic mutant ER-NTD (S118D)' _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 51976 1 pH 7.4 . pH 51976 1 pressure 1 . atm 51976 1 temperature 277 . K 51976 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51976 _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' . 51976 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 51976 _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 51976 _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 51976 _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 . . . . . . . . . . . . . . . . . 51976 1 2 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51976 1 3 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51976 1 4 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51976 1 5 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51976 1 6 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51976 1 7 '3D CBCACONH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51976 1 8 '3D 13CO-hCACON' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51976 1 9 '3D 13CO-hCANCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51976 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 51976 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'phosphomimetic mutant ER-NTD (S118D)' _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 . . . . . 51976 1 H 1 water protons . . . . ppm 4.974 internal direct 1 . . . . . 51976 1 N 15 water protons . . . . ppm 4.974 internal indirect 0.1013291 . . . . . 51976 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 51976 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name S118D _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' . . . 51976 1 2 '3D HNCO' . . . 51976 1 6 '3D HNCACB' . . . 51976 1 7 '3D CBCACONH' . . . 51976 1 8 '3D 13CO-hCACON' . . . 51976 1 9 '3D 13CO-hCANCO' . . . 51976 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 . . 51976 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 13 177.404 . . . . . . . . 1 MET C . 51976 1 2 . 1 . 1 1 1 MET CA C 13 56.482 . . . . . . . . 1 MET CA . 51976 1 3 . 1 . 1 1 1 MET CB C 13 33.729 . . . . . . . . 1 MET CB . 51976 1 4 . 1 . 1 2 2 THR H H 1 8.338 . . . . . . . . 2 THR HN . 51976 1 5 . 1 . 1 2 2 THR C C 13 175.062 . . . . . . . . 2 THR C . 51976 1 6 . 1 . 1 2 2 THR CA C 13 62.316 . . . . . . . . 2 THR CA . 51976 1 7 . 1 . 1 2 2 THR CB C 13 69.709 . . . . . . . . 2 THR CB . 51976 1 8 . 1 . 1 2 2 THR N N 15 120.612 . . . . . . . . 2 THR N . 51976 1 9 . 1 . 1 3 3 MET H H 1 8.629 . . . . . . . . 3 MET HN . 51976 1 10 . 1 . 1 3 3 MET C C 13 176.063 . . . . . . . . 3 MET C . 51976 1 11 . 1 . 1 3 3 MET CA C 13 55.459 . . . . . . . . 3 MET CA . 51976 1 12 . 1 . 1 3 3 MET CB C 13 32.646 . . . . . . . . 3 MET CB . 51976 1 13 . 1 . 1 3 3 MET N N 15 123.383 . . . . . . . . 3 MET N . 51976 1 14 . 1 . 1 4 4 THR H H 1 8.367 . . . . . . . . 4 THR HN . 51976 1 15 . 1 . 1 4 4 THR C C 13 174.034 . . . . . . . . 4 THR C . 51976 1 16 . 1 . 1 4 4 THR CA C 13 62.036 . . . . . . . . 4 THR CA . 51976 1 17 . 1 . 1 4 4 THR CB C 13 69.769 . . . . . . . . 4 THR CB . 51976 1 18 . 1 . 1 4 4 THR N N 15 117.433 . . . . . . . . 4 THR N . 51976 1 19 . 1 . 1 5 5 LEU H H 1 8.454 . . . . . . . . 5 LEU HN . 51976 1 20 . 1 . 1 5 5 LEU C C 13 176.966 . . . . . . . . 5 LEU C . 51976 1 21 . 1 . 1 5 5 LEU CA C 13 55.124 . . . . . . . . 5 LEU CA . 51976 1 22 . 1 . 1 5 5 LEU CB C 13 42.401 . . . . . . . . 5 LEU CB . 51976 1 23 . 1 . 1 5 5 LEU N N 15 125.507 . . . . . . . . 5 LEU N . 51976 1 24 . 1 . 1 6 6 HIS H H 1 8.468 . . . . . . . . 6 HIS HN . 51976 1 25 . 1 . 1 6 6 HIS C C 13 175.568 . . . . . . . . 6 HIS C . 51976 1 26 . 1 . 1 6 6 HIS CA C 13 56.215 . . . . . . . . 6 HIS CA . 51976 1 27 . 1 . 1 6 6 HIS CB C 13 30.771 . . . . . . . . 6 HIS CB . 51976 1 28 . 1 . 1 6 6 HIS N N 15 121.040 . . . . . . . . 6 HIS N . 51976 1 29 . 1 . 1 7 7 THR H H 1 8.214 . . . . . . . . 7 THR HN . 51976 1 30 . 1 . 1 7 7 THR C C 13 174.543 . . . . . . . . 7 THR C . 51976 1 31 . 1 . 1 7 7 THR CA C 13 61.861 . . . . . . . . 7 THR CA . 51976 1 32 . 1 . 1 7 7 THR CB C 13 69.987 . . . . . . . . 7 THR CB . 51976 1 33 . 1 . 1 7 7 THR N N 15 116.116 . . . . . . . . 7 THR N . 51976 1 34 . 1 . 1 8 8 LYS H H 1 8.563 . . . . . . . . 8 LYS HN . 51976 1 35 . 1 . 1 8 8 LYS CA C 13 56.652 . . . . . . . . 8 LYS CA . 51976 1 36 . 1 . 1 8 8 LYS CB C 13 32.961 . . . . . . . . 8 LYS CB . 51976 1 37 . 1 . 1 8 8 LYS N N 15 124.280 . . . . . . . . 8 LYS N . 51976 1 38 . 1 . 1 9 9 ALA C C 13 178.007 . . . . . . . . 9 ALA C . 51976 1 39 . 1 . 1 9 9 ALA CA C 13 52.848 . . . . . . . . 9 ALA CA . 51976 1 40 . 1 . 1 9 9 ALA CB C 13 19.079 . . . . . . . . 9 ALA CB . 51976 1 41 . 1 . 1 10 10 SER H H 1 8.409 . . . . . . . . 10 SER HN . 51976 1 42 . 1 . 1 10 10 SER C C 13 175.323 . . . . . . . . 10 SER C . 51976 1 43 . 1 . 1 10 10 SER CA C 13 58.754 . . . . . . . . 10 SER CA . 51976 1 44 . 1 . 1 10 10 SER CB C 13 63.790 . . . . . . . . 10 SER CB . 51976 1 45 . 1 . 1 10 10 SER N N 15 115.487 . . . . . . . . 10 SER N . 51976 1 46 . 1 . 1 11 11 GLY H H 1 8.502 . . . . . . . . 11 GLY HN . 51976 1 47 . 1 . 1 11 11 GLY C C 13 174.630 . . . . . . . . 11 GLY C . 51976 1 48 . 1 . 1 11 11 GLY CA C 13 45.559 . . . . . . . . 11 GLY CA . 51976 1 49 . 1 . 1 11 11 GLY N N 15 110.696 . . . . . . . . 11 GLY N . 51976 1 50 . 1 . 1 12 12 MET H H 1 8.248 . . . . . . . . 12 MET HN . 51976 1 51 . 1 . 1 12 12 MET C C 13 176.364 . . . . . . . . 12 MET C . 51976 1 52 . 1 . 1 12 12 MET CA C 13 55.735 . . . . . . . . 12 MET CA . 51976 1 53 . 1 . 1 12 12 MET CB C 13 32.699 . . . . . . . . 12 MET CB . 51976 1 54 . 1 . 1 12 12 MET N N 15 120.351 . . . . . . . . 12 MET N . 51976 1 55 . 1 . 1 13 13 ALA H H 1 8.325 . . . . . . . . 13 ALA HN . 51976 1 56 . 1 . 1 13 13 ALA C C 13 177.975 . . . . . . . . 13 ALA C . 51976 1 57 . 1 . 1 13 13 ALA CA C 13 52.927 . . . . . . . . 13 ALA CA . 51976 1 58 . 1 . 1 13 13 ALA CB C 13 18.901 . . . . . . . . 13 ALA CB . 51976 1 59 . 1 . 1 13 13 ALA N N 15 124.579 . . . . . . . . 13 ALA N . 51976 1 60 . 1 . 1 14 14 LEU H H 1 8.120 . . . . . . . . 14 LEU HN . 51976 1 61 . 1 . 1 14 14 LEU C C 13 177.545 . . . . . . . . 14 LEU C . 51976 1 62 . 1 . 1 14 14 LEU CA C 13 55.334 . . . . . . . . 14 LEU CA . 51976 1 63 . 1 . 1 14 14 LEU CB C 13 42.083 . . . . . . . . 14 LEU CB . 51976 1 64 . 1 . 1 14 14 LEU N N 15 120.756 . . . . . . . . 14 LEU N . 51976 1 65 . 1 . 1 15 15 LEU H H 1 8.096 . . . . . . . . 15 LEU HN . 51976 1 66 . 1 . 1 15 15 LEU C C 13 177.292 . . . . . . . . 15 LEU C . 51976 1 67 . 1 . 1 15 15 LEU CA C 13 55.533 . . . . . . . . 15 LEU CA . 51976 1 68 . 1 . 1 15 15 LEU CB C 13 42.175 . . . . . . . . 15 LEU CB . 51976 1 69 . 1 . 1 15 15 LEU N N 15 121.922 . . . . . . . . 15 LEU N . 51976 1 70 . 1 . 1 16 16 HIS H H 1 8.243 . . . . . . . . 16 HIS HN . 51976 1 71 . 1 . 1 16 16 HIS CA C 13 56.199 . . . . . . . . 16 HIS CA . 51976 1 72 . 1 . 1 16 16 HIS CB C 13 30.411 . . . . . . . . 16 HIS CB . 51976 1 73 . 1 . 1 16 16 HIS N N 15 119.098 . . . . . . . . 16 HIS N . 51976 1 74 . 1 . 1 17 17 GLN C C 13 175.905 . . . . . . . . 17 GLN C . 51976 1 75 . 1 . 1 17 17 GLN CA C 13 55.755 . . . . . . . . 17 GLN CA . 51976 1 76 . 1 . 1 17 17 GLN CB C 13 29.501 . . . . . . . . 17 GLN CB . 51976 1 77 . 1 . 1 18 18 ILE H H 1 8.348 . . . . . . . . 18 ILE HN . 51976 1 78 . 1 . 1 18 18 ILE C C 13 176.428 . . . . . . . . 18 ILE C . 51976 1 79 . 1 . 1 18 18 ILE CA C 13 61.416 . . . . . . . . 18 ILE CA . 51976 1 80 . 1 . 1 18 18 ILE CB C 13 38.594 . . . . . . . . 18 ILE CB . 51976 1 81 . 1 . 1 18 18 ILE N N 15 122.759 . . . . . . . . 18 ILE N . 51976 1 82 . 1 . 1 19 19 GLN H H 1 8.681 . . . . . . . . 19 GLN HN . 51976 1 83 . 1 . 1 19 19 GLN CA C 13 55.955 . . . . . . . . 19 GLN CA . 51976 1 84 . 1 . 1 19 19 GLN CB C 13 29.541 . . . . . . . . 19 GLN CB . 51976 1 85 . 1 . 1 19 19 GLN N N 15 124.888 . . . . . . . . 19 GLN N . 51976 1 86 . 1 . 1 20 20 GLY H H 1 8.623 . . . . . . . . 20 GLY HN . 51976 1 87 . 1 . 1 20 20 GLY CA C 13 45.283 . . . . . . . . 20 GLY CA . 51976 1 88 . 1 . 1 20 20 GLY N N 15 110.827 . . . . . . . . 20 GLY N . 51976 1 89 . 1 . 1 21 21 ASN C C 13 175.438 . . . . . . . . 21 ASN C . 51976 1 90 . 1 . 1 21 21 ASN CA C 13 53.096 . . . . . . . . 21 ASN CA . 51976 1 91 . 1 . 1 21 21 ASN CB C 13 38.898 . . . . . . . . 21 ASN CB . 51976 1 92 . 1 . 1 22 22 GLU H H 1 8.690 . . . . . . . . 22 GLU HN . 51976 1 93 . 1 . 1 22 22 GLU C C 13 176.443 . . . . . . . . 22 GLU C . 51976 1 94 . 1 . 1 22 22 GLU CA C 13 56.984 . . . . . . . . 22 GLU CA . 51976 1 95 . 1 . 1 22 22 GLU CB C 13 29.886 . . . . . . . . 22 GLU CB . 51976 1 96 . 1 . 1 22 22 GLU N N 15 121.248 . . . . . . . . 22 GLU N . 51976 1 97 . 1 . 1 23 23 LEU H H 1 8.317 . . . . . . . . 23 LEU HN . 51976 1 98 . 1 . 1 23 23 LEU C C 13 177.258 . . . . . . . . 23 LEU C . 51976 1 99 . 1 . 1 23 23 LEU CA C 13 55.040 . . . . . . . . 23 LEU CA . 51976 1 100 . 1 . 1 23 23 LEU CB C 13 42.254 . . . . . . . . 23 LEU CB . 51976 1 101 . 1 . 1 23 23 LEU N N 15 122.264 . . . . . . . . 23 LEU N . 51976 1 102 . 1 . 1 24 24 GLU H H 1 8.302 . . . . . . . . 24 GLU HN . 51976 1 103 . 1 . 1 24 24 GLU CA C 13 54.377 . . . . . . . . 24 GLU CA . 51976 1 104 . 1 . 1 24 24 GLU CB C 13 29.636 . . . . . . . . 24 GLU CB . 51976 1 105 . 1 . 1 24 24 GLU N N 15 122.769 . . . . . . . . 24 GLU N . 51976 1 106 . 1 . 1 25 25 PRO C C 13 177.110 . . . . . . . . 25 PRO C . 51976 1 107 . 1 . 1 25 25 PRO CA C 13 63.306 . . . . . . . . 25 PRO CA . 51976 1 108 . 1 . 1 25 25 PRO CB C 13 32.099 . . . . . . . . 25 PRO CB . 51976 1 109 . 1 . 1 26 26 LEU H H 1 8.471 . . . . . . . . 26 LEU HN . 51976 1 110 . 1 . 1 26 26 LEU CA C 13 55.466 . . . . . . . . 26 LEU CA . 51976 1 111 . 1 . 1 26 26 LEU CB C 13 42.184 . . . . . . . . 26 LEU CB . 51976 1 112 . 1 . 1 26 26 LEU N N 15 121.468 . . . . . . . . 26 LEU N . 51976 1 113 . 1 . 1 27 27 ASN H H 1 8.421 . . . . . . . . 27 ASN HN . 51976 1 114 . 1 . 1 27 27 ASN C C 13 174.601 . . . . . . . . 27 ASN C . 51976 1 115 . 1 . 1 27 27 ASN CA C 13 52.913 . . . . . . . . 27 ASN CA . 51976 1 116 . 1 . 1 27 27 ASN CB C 13 38.734 . . . . . . . . 27 ASN CB . 51976 1 117 . 1 . 1 27 27 ASN N N 15 118.722 . . . . . . . . 27 ASN N . 51976 1 118 . 1 . 1 28 28 ARG H H 1 8.226 . . . . . . . . 28 ARG HN . 51976 1 119 . 1 . 1 28 28 ARG CA C 13 54.096 . . . . . . . . 28 ARG CA . 51976 1 120 . 1 . 1 28 28 ARG CB C 13 29.800 . . . . . . . . 28 ARG CB . 51976 1 121 . 1 . 1 28 28 ARG N N 15 122.324 . . . . . . . . 28 ARG N . 51976 1 122 . 1 . 1 29 29 PRO C C 13 176.768 . . . . . . . . 29 PRO C . 51976 1 123 . 1 . 1 29 29 PRO CA C 13 63.180 . . . . . . . . 29 PRO CA . 51976 1 124 . 1 . 1 29 29 PRO CB C 13 32.103 . . . . . . . . 29 PRO CB . 51976 1 125 . 1 . 1 30 30 GLN H H 1 8.646 . . . . . . . . 30 GLN HN . 51976 1 126 . 1 . 1 30 30 GLN C C 13 175.867 . . . . . . . . 30 GLN C . 51976 1 127 . 1 . 1 30 30 GLN CA C 13 55.537 . . . . . . . . 30 GLN CA . 51976 1 128 . 1 . 1 30 30 GLN CB C 13 29.538 . . . . . . . . 30 GLN CB . 51976 1 129 . 1 . 1 30 30 GLN N N 15 121.202 . . . . . . . . 30 GLN N . 51976 1 130 . 1 . 1 31 31 LEU H H 1 8.400 . . . . . . . . 31 LEU HN . 51976 1 131 . 1 . 1 31 31 LEU C C 13 177.056 . . . . . . . . 31 LEU C . 51976 1 132 . 1 . 1 31 31 LEU CA C 13 55.074 . . . . . . . . 31 LEU CA . 51976 1 133 . 1 . 1 31 31 LEU CB C 13 42.460 . . . . . . . . 31 LEU CB . 51976 1 134 . 1 . 1 31 31 LEU N N 15 124.458 . . . . . . . . 31 LEU N . 51976 1 135 . 1 . 1 32 32 LYS H H 1 8.459 . . . . . . . . 32 LYS HN . 51976 1 136 . 1 . 1 32 32 LYS C C 13 176.103 . . . . . . . . 32 LYS C . 51976 1 137 . 1 . 1 32 32 LYS CA C 13 55.974 . . . . . . . . 32 LYS CA . 51976 1 138 . 1 . 1 32 32 LYS CB C 13 32.875 . . . . . . . . 32 LYS CB . 51976 1 139 . 1 . 1 32 32 LYS N N 15 123.330 . . . . . . . . 32 LYS N . 51976 1 140 . 1 . 1 33 33 ILE H H 1 8.298 . . . . . . . . 33 ILE HN . 51976 1 141 . 1 . 1 33 33 ILE CA C 13 58.576 . . . . . . . . 33 ILE CA . 51976 1 142 . 1 . 1 33 33 ILE CB C 13 38.532 . . . . . . . . 33 ILE CB . 51976 1 143 . 1 . 1 33 33 ILE N N 15 124.611 . . . . . . . . 33 ILE N . 51976 1 144 . 1 . 1 34 34 PRO C C 13 176.622 . . . . . . . . 34 PRO C . 51976 1 145 . 1 . 1 34 34 PRO CA C 13 63.029 . . . . . . . . 34 PRO CA . 51976 1 146 . 1 . 1 34 34 PRO CB C 13 32.148 . . . . . . . . 34 PRO CB . 51976 1 147 . 1 . 1 35 35 LEU H H 1 8.399 . . . . . . . . 35 LEU HN . 51976 1 148 . 1 . 1 35 35 LEU C C 13 177.465 . . . . . . . . 35 LEU C . 51976 1 149 . 1 . 1 35 35 LEU CA C 13 55.249 . . . . . . . . 35 LEU CA . 51976 1 150 . 1 . 1 35 35 LEU CB C 13 42.463 . . . . . . . . 35 LEU CB . 51976 1 151 . 1 . 1 35 35 LEU N N 15 122.772 . . . . . . . . 35 LEU N . 51976 1 152 . 1 . 1 36 36 GLU H H 1 8.477 . . . . . . . . 36 GLU HN . 51976 1 153 . 1 . 1 36 36 GLU C C 13 175.971 . . . . . . . . 36 GLU C . 51976 1 154 . 1 . 1 36 36 GLU CA C 13 56.305 . . . . . . . . 36 GLU CA . 51976 1 155 . 1 . 1 36 36 GLU CB C 13 30.413 . . . . . . . . 36 GLU CB . 51976 1 156 . 1 . 1 36 36 GLU N N 15 122.294 . . . . . . . . 36 GLU N . 51976 1 157 . 1 . 1 37 37 ARG H H 1 8.447 . . . . . . . . 37 ARG HN . 51976 1 158 . 1 . 1 37 37 ARG CA C 13 53.786 . . . . . . . . 37 ARG CA . 51976 1 159 . 1 . 1 37 37 ARG CB C 13 30.159 . . . . . . . . 37 ARG CB . 51976 1 160 . 1 . 1 37 37 ARG N N 15 123.518 . . . . . . . . 37 ARG N . 51976 1 161 . 1 . 1 38 38 PRO CA C 13 62.900 . . . . . . . . 38 PRO CA . 51976 1 162 . 1 . 1 38 38 PRO CB C 13 32.200 . . . . . . . . 38 PRO CB . 51976 1 163 . 1 . 1 39 39 LEU C C 13 178.269 . . . . . . . . 39 LEU C . 51976 1 164 . 1 . 1 39 39 LEU CA C 13 55.637 . . . . . . . . 39 LEU CA . 51976 1 165 . 1 . 1 39 39 LEU CB C 13 42.193 . . . . . . . . 39 LEU CB . 51976 1 166 . 1 . 1 40 40 GLY H H 1 8.527 . . . . . . . . 40 GLY HN . 51976 1 167 . 1 . 1 40 40 GLY C C 13 173.961 . . . . . . . . 40 GLY C . 51976 1 168 . 1 . 1 40 40 GLY CA C 13 45.010 . . . . . . . . 40 GLY CA . 51976 1 169 . 1 . 1 40 40 GLY N N 15 109.483 . . . . . . . . 40 GLY N . 51976 1 170 . 1 . 1 41 41 GLU H H 1 8.134 . . . . . . . . 41 GLU HN . 51976 1 171 . 1 . 1 41 41 GLU C C 13 176.283 . . . . . . . . 41 GLU C . 51976 1 172 . 1 . 1 41 41 GLU CA C 13 56.545 . . . . . . . . 41 GLU CA . 51976 1 173 . 1 . 1 41 41 GLU CB C 13 30.444 . . . . . . . . 41 GLU CB . 51976 1 174 . 1 . 1 41 41 GLU N N 15 120.604 . . . . . . . . 41 GLU N . 51976 1 175 . 1 . 1 42 42 VAL H H 1 8.234 . . . . . . . . 42 VAL HN . 51976 1 176 . 1 . 1 42 42 VAL C C 13 175.653 . . . . . . . . 42 VAL C . 51976 1 177 . 1 . 1 42 42 VAL CA C 13 62.235 . . . . . . . . 42 VAL CA . 51976 1 178 . 1 . 1 42 42 VAL CB C 13 32.893 . . . . . . . . 42 VAL CB . 51976 1 179 . 1 . 1 42 42 VAL N N 15 121.916 . . . . . . . . 42 VAL N . 51976 1 180 . 1 . 1 43 43 TYR H H 1 8.441 . . . . . . . . 43 TYR HN . 51976 1 181 . 1 . 1 43 43 TYR CA C 13 57.727 . . . . . . . . 43 TYR CA . 51976 1 182 . 1 . 1 43 43 TYR CB C 13 38.813 . . . . . . . . 43 TYR CB . 51976 1 183 . 1 . 1 43 43 TYR N N 15 124.999 . . . . . . . . 43 TYR N . 51976 1 184 . 1 . 1 44 44 LEU C C 13 176.464 . . . . . . . . 44 LEU C . 51976 1 185 . 1 . 1 44 44 LEU CA C 13 54.751 . . . . . . . . 44 LEU CA . 51976 1 186 . 1 . 1 44 44 LEU CB C 13 42.584 . . . . . . . . 44 LEU CB . 51976 1 187 . 1 . 1 45 45 ASP H H 1 8.399 . . . . . . . . 45 ASP HN . 51976 1 188 . 1 . 1 45 45 ASP C C 13 176.576 . . . . . . . . 45 ASP C . 51976 1 189 . 1 . 1 45 45 ASP CA C 13 54.127 . . . . . . . . 45 ASP CA . 51976 1 190 . 1 . 1 45 45 ASP CB C 13 41.046 . . . . . . . . 45 ASP CB . 51976 1 191 . 1 . 1 45 45 ASP N N 15 122.176 . . . . . . . . 45 ASP N . 51976 1 192 . 1 . 1 46 46 SER H H 1 8.460 . . . . . . . . 46 SER HN . 51976 1 193 . 1 . 1 46 46 SER C C 13 174.720 . . . . . . . . 46 SER C . 51976 1 194 . 1 . 1 46 46 SER CA C 13 58.737 . . . . . . . . 46 SER CA . 51976 1 195 . 1 . 1 46 46 SER CB C 13 63.181 . . . . . . . . 46 SER CB . 51976 1 196 . 1 . 1 46 46 SER N N 15 117.901 . . . . . . . . 46 SER N . 51976 1 197 . 1 . 1 47 47 SER H H 1 8.474 . . . . . . . . 47 SER HN . 51976 1 198 . 1 . 1 47 47 SER C C 13 174.038 . . . . . . . . 47 SER C . 51976 1 199 . 1 . 1 47 47 SER CA C 13 59.003 . . . . . . . . 47 SER CA . 51976 1 200 . 1 . 1 47 47 SER CB C 13 63.785 . . . . . . . . 47 SER CB . 51976 1 201 . 1 . 1 47 47 SER N N 15 118.048 . . . . . . . . 47 SER N . 51976 1 202 . 1 . 1 48 48 LYS H H 1 8.070 . . . . . . . . 48 LYS HN . 51976 1 203 . 1 . 1 48 48 LYS CA C 13 54.072 . . . . . . . . 48 LYS CA . 51976 1 204 . 1 . 1 48 48 LYS CB C 13 32.524 . . . . . . . . 48 LYS CB . 51976 1 205 . 1 . 1 48 48 LYS N N 15 123.953 . . . . . . . . 48 LYS N . 51976 1 206 . 1 . 1 49 49 PRO C C 13 176.459 . . . . . . . . 49 PRO C . 51976 1 207 . 1 . 1 49 49 PRO CA C 13 62.958 . . . . . . . . 49 PRO CA . 51976 1 208 . 1 . 1 49 49 PRO CB C 13 32.120 . . . . . . . . 49 PRO CB . 51976 1 209 . 1 . 1 50 50 ALA H H 1 8.490 . . . . . . . . 50 ALA HN . 51976 1 210 . 1 . 1 50 50 ALA C C 13 177.399 . . . . . . . . 50 ALA C . 51976 1 211 . 1 . 1 50 50 ALA CA C 13 52.422 . . . . . . . . 50 ALA CA . 51976 1 212 . 1 . 1 50 50 ALA CB C 13 19.181 . . . . . . . . 50 ALA CB . 51976 1 213 . 1 . 1 50 50 ALA N N 15 125.003 . . . . . . . . 50 ALA N . 51976 1 214 . 1 . 1 51 51 VAL H H 1 8.088 . . . . . . . . 51 VAL HN . 51976 1 215 . 1 . 1 51 51 VAL C C 13 175.445 . . . . . . . . 51 VAL C . 51976 1 216 . 1 . 1 51 51 VAL CA C 13 61.937 . . . . . . . . 51 VAL CA . 51976 1 217 . 1 . 1 51 51 VAL CB C 13 33.112 . . . . . . . . 51 VAL CB . 51976 1 218 . 1 . 1 51 51 VAL N N 15 119.443 . . . . . . . . 51 VAL N . 51976 1 219 . 1 . 1 52 52 TYR H H 1 8.357 . . . . . . . . 52 TYR HN . 51976 1 220 . 1 . 1 52 52 TYR C C 13 174.773 . . . . . . . . 52 TYR C . 51976 1 221 . 1 . 1 52 52 TYR CA C 13 57.543 . . . . . . . . 52 TYR CA . 51976 1 222 . 1 . 1 52 52 TYR CB C 13 39.167 . . . . . . . . 52 TYR CB . 51976 1 223 . 1 . 1 52 52 TYR N N 15 124.492 . . . . . . . . 52 TYR N . 51976 1 224 . 1 . 1 53 53 ASN H H 1 8.211 . . . . . . . . 53 ASN HN . 51976 1 225 . 1 . 1 53 53 ASN C C 13 173.736 . . . . . . . . 53 ASN C . 51976 1 226 . 1 . 1 53 53 ASN CA C 13 52.556 . . . . . . . . 53 ASN CA . 51976 1 227 . 1 . 1 53 53 ASN CB C 13 39.314 . . . . . . . . 53 ASN CB . 51976 1 228 . 1 . 1 53 53 ASN N N 15 121.455 . . . . . . . . 53 ASN N . 51976 1 229 . 1 . 1 54 54 TYR H H 1 8.128 . . . . . . . . 54 TYR HN . 51976 1 230 . 1 . 1 54 54 TYR CA C 13 56.247 . . . . . . . . 54 TYR CA . 51976 1 231 . 1 . 1 54 54 TYR CB C 13 37.957 . . . . . . . . 54 TYR CB . 51976 1 232 . 1 . 1 54 54 TYR N N 15 121.928 . . . . . . . . 54 TYR N . 51976 1 233 . 1 . 1 55 55 PRO C C 13 176.791 . . . . . . . . 55 PRO C . 51976 1 234 . 1 . 1 55 55 PRO CA C 13 63.251 . . . . . . . . 55 PRO CA . 51976 1 235 . 1 . 1 55 55 PRO CB C 13 32.040 . . . . . . . . 55 PRO CB . 51976 1 236 . 1 . 1 56 56 GLU H H 1 8.513 . . . . . . . . 56 GLU HN . 51976 1 237 . 1 . 1 56 56 GLU C C 13 175.934 . . . . . . . . 56 GLU C . 51976 1 238 . 1 . 1 56 56 GLU CA C 13 56.260 . . . . . . . . 56 GLU CA . 51976 1 239 . 1 . 1 56 56 GLU CB C 13 30.443 . . . . . . . . 56 GLU CB . 51976 1 240 . 1 . 1 56 56 GLU N N 15 119.570 . . . . . . . . 56 GLU N . 51976 1 241 . 1 . 1 57 57 GLY H H 1 8.453 . . . . . . . . 57 GLY HN . 51976 1 242 . 1 . 1 57 57 GLY C C 13 174.039 . . . . . . . . 57 GLY C . 51976 1 243 . 1 . 1 57 57 GLY CA C 13 45.249 . . . . . . . . 57 GLY CA . 51976 1 244 . 1 . 1 57 57 GLY N N 15 110.241 . . . . . . . . 57 GLY N . 51976 1 245 . 1 . 1 58 58 ALA H H 1 8.154 . . . . . . . . 58 ALA HN . 51976 1 246 . 1 . 1 58 58 ALA C C 13 177.620 . . . . . . . . 58 ALA C . 51976 1 247 . 1 . 1 58 58 ALA CA C 13 52.761 . . . . . . . . 58 ALA CA . 51976 1 248 . 1 . 1 58 58 ALA CB C 13 19.289 . . . . . . . . 58 ALA CB . 51976 1 249 . 1 . 1 58 58 ALA N N 15 123.784 . . . . . . . . 58 ALA N . 51976 1 250 . 1 . 1 59 59 ALA H H 1 8.325 . . . . . . . . 59 ALA HN . 51976 1 251 . 1 . 1 59 59 ALA C C 13 177.517 . . . . . . . . 59 ALA C . 51976 1 252 . 1 . 1 59 59 ALA CA C 13 52.738 . . . . . . . . 59 ALA CA . 51976 1 253 . 1 . 1 59 59 ALA CB C 13 18.996 . . . . . . . . 59 ALA CB . 51976 1 254 . 1 . 1 59 59 ALA N N 15 122.562 . . . . . . . . 59 ALA N . 51976 1 255 . 1 . 1 60 60 TYR H H 1 8.017 . . . . . . . . 60 TYR HN . 51976 1 256 . 1 . 1 60 60 TYR C C 13 175.824 . . . . . . . . 60 TYR C . 51976 1 257 . 1 . 1 60 60 TYR CA C 13 58.160 . . . . . . . . 60 TYR CA . 51976 1 258 . 1 . 1 60 60 TYR CB C 13 38.707 . . . . . . . . 60 TYR CB . 51976 1 259 . 1 . 1 60 60 TYR N N 15 119.175 . . . . . . . . 60 TYR N . 51976 1 260 . 1 . 1 61 61 GLU H H 1 8.163 . . . . . . . . 61 GLU HN . 51976 1 261 . 1 . 1 61 61 GLU C C 13 176.018 . . . . . . . . 61 GLU C . 51976 1 262 . 1 . 1 61 61 GLU CA C 13 56.575 . . . . . . . . 61 GLU CA . 51976 1 263 . 1 . 1 61 61 GLU CB C 13 30.394 . . . . . . . . 61 GLU CB . 51976 1 264 . 1 . 1 61 61 GLU N N 15 122.519 . . . . . . . . 61 GLU N . 51976 1 265 . 1 . 1 62 62 PHE H H 1 8.277 . . . . . . . . 62 PHE HN . 51976 1 266 . 1 . 1 62 62 PHE C C 13 175.175 . . . . . . . . 62 PHE C . 51976 1 267 . 1 . 1 62 62 PHE CA C 13 58.520 . . . . . . . . 62 PHE CA . 51976 1 268 . 1 . 1 62 62 PHE CB C 13 39.396 . . . . . . . . 62 PHE CB . 51976 1 269 . 1 . 1 62 62 PHE N N 15 122.127 . . . . . . . . 62 PHE N . 51976 1 270 . 1 . 1 63 63 ASN H H 1 8.275 . . . . . . . . 63 ASN HN . 51976 1 271 . 1 . 1 63 63 ASN C C 13 175.169 . . . . . . . . 63 ASN C . 51976 1 272 . 1 . 1 63 63 ASN CA C 13 52.960 . . . . . . . . 63 ASN CA . 51976 1 273 . 1 . 1 63 63 ASN CB C 13 38.719 . . . . . . . . 63 ASN CB . 51976 1 274 . 1 . 1 63 63 ASN N N 15 121.626 . . . . . . . . 63 ASN N . 51976 1 275 . 1 . 1 64 64 ALA H H 1 8.378 . . . . . . . . 64 ALA HN . 51976 1 276 . 1 . 1 64 64 ALA C C 13 178.534 . . . . . . . . 64 ALA C . 51976 1 277 . 1 . 1 64 64 ALA CA C 13 53.799 . . . . . . . . 64 ALA CA . 51976 1 278 . 1 . 1 64 64 ALA CB C 13 18.682 . . . . . . . . 64 ALA CB . 51976 1 279 . 1 . 1 64 64 ALA N N 15 125.627 . . . . . . . . 64 ALA N . 51976 1 280 . 1 . 1 65 65 ALA H H 1 8.163 . . . . . . . . 65 ALA HN . 51976 1 281 . 1 . 1 65 65 ALA C C 13 178.432 . . . . . . . . 65 ALA C . 51976 1 282 . 1 . 1 65 65 ALA CA C 13 53.221 . . . . . . . . 65 ALA CA . 51976 1 283 . 1 . 1 65 65 ALA CB C 13 18.481 . . . . . . . . 65 ALA CB . 51976 1 284 . 1 . 1 65 65 ALA N N 15 121.893 . . . . . . . . 65 ALA N . 51976 1 285 . 1 . 1 66 66 ALA H H 1 7.932 . . . . . . . . 66 ALA HN . 51976 1 286 . 1 . 1 66 66 ALA C C 13 178.640 . . . . . . . . 66 ALA C . 51976 1 287 . 1 . 1 66 66 ALA CA C 13 53.115 . . . . . . . . 66 ALA CA . 51976 1 288 . 1 . 1 66 66 ALA CB C 13 18.709 . . . . . . . . 66 ALA CB . 51976 1 289 . 1 . 1 66 66 ALA N N 15 122.152 . . . . . . . . 66 ALA N . 51976 1 290 . 1 . 1 67 67 ALA H H 1 8.087 . . . . . . . . 67 ALA HN . 51976 1 291 . 1 . 1 67 67 ALA C C 13 178.459 . . . . . . . . 67 ALA C . 51976 1 292 . 1 . 1 67 67 ALA CA C 13 53.108 . . . . . . . . 67 ALA CA . 51976 1 293 . 1 . 1 67 67 ALA CB C 13 18.804 . . . . . . . . 67 ALA CB . 51976 1 294 . 1 . 1 67 67 ALA N N 15 122.341 . . . . . . . . 67 ALA N . 51976 1 295 . 1 . 1 68 68 ALA H H 1 8.124 . . . . . . . . 68 ALA HN . 51976 1 296 . 1 . 1 68 68 ALA C C 13 178.314 . . . . . . . . 68 ALA C . 51976 1 297 . 1 . 1 68 68 ALA CA C 13 53.256 . . . . . . . . 68 ALA CA . 51976 1 298 . 1 . 1 68 68 ALA CB C 13 18.734 . . . . . . . . 68 ALA CB . 51976 1 299 . 1 . 1 68 68 ALA N N 15 122.142 . . . . . . . . 68 ALA N . 51976 1 300 . 1 . 1 69 69 ASN H H 1 8.201 . . . . . . . . 69 ASN HN . 51976 1 301 . 1 . 1 69 69 ASN C C 13 175.283 . . . . . . . . 69 ASN C . 51976 1 302 . 1 . 1 69 69 ASN CA C 13 53.555 . . . . . . . . 69 ASN CA . 51976 1 303 . 1 . 1 69 69 ASN CB C 13 38.687 . . . . . . . . 69 ASN CB . 51976 1 304 . 1 . 1 69 69 ASN N N 15 116.932 . . . . . . . . 69 ASN N . 51976 1 305 . 1 . 1 70 70 ALA H H 1 8.084 . . . . . . . . 70 ALA HN . 51976 1 306 . 1 . 1 70 70 ALA C C 13 177.906 . . . . . . . . 70 ALA C . 51976 1 307 . 1 . 1 70 70 ALA CA C 13 52.969 . . . . . . . . 70 ALA CA . 51976 1 308 . 1 . 1 70 70 ALA CB C 13 19.038 . . . . . . . . 70 ALA CB . 51976 1 309 . 1 . 1 70 70 ALA N N 15 123.429 . . . . . . . . 70 ALA N . 51976 1 310 . 1 . 1 71 71 GLN H H 1 8.218 . . . . . . . . 71 GLN HN . 51976 1 311 . 1 . 1 71 71 GLN C C 13 175.967 . . . . . . . . 71 GLN C . 51976 1 312 . 1 . 1 71 71 GLN CA C 13 56.129 . . . . . . . . 71 GLN CA . 51976 1 313 . 1 . 1 71 71 GLN CB C 13 29.249 . . . . . . . . 71 GLN CB . 51976 1 314 . 1 . 1 71 71 GLN N N 15 119.025 . . . . . . . . 71 GLN N . 51976 1 315 . 1 . 1 72 72 VAL H H 1 8.025 . . . . . . . . 72 VAL HN . 51976 1 316 . 1 . 1 72 72 VAL C C 13 176.036 . . . . . . . . 72 VAL C . 51976 1 317 . 1 . 1 72 72 VAL CA C 13 62.525 . . . . . . . . 72 VAL CA . 51976 1 318 . 1 . 1 72 72 VAL CB C 13 32.838 . . . . . . . . 72 VAL CB . 51976 1 319 . 1 . 1 72 72 VAL N N 15 120.779 . . . . . . . . 72 VAL N . 51976 1 320 . 1 . 1 73 73 TYR H H 1 8.390 . . . . . . . . 73 TYR HN . 51976 1 321 . 1 . 1 73 73 TYR C C 13 176.576 . . . . . . . . 73 TYR C . 51976 1 322 . 1 . 1 73 73 TYR CA C 13 58.213 . . . . . . . . 73 TYR CA . 51976 1 323 . 1 . 1 73 73 TYR CB C 13 38.832 . . . . . . . . 73 TYR CB . 51976 1 324 . 1 . 1 73 73 TYR N N 15 123.513 . . . . . . . . 73 TYR N . 51976 1 325 . 1 . 1 74 74 GLY H H 1 8.365 . . . . . . . . 74 GLY HN . 51976 1 326 . 1 . 1 74 74 GLY C C 13 174.196 . . . . . . . . 74 GLY C . 51976 1 327 . 1 . 1 74 74 GLY CA C 13 45.253 . . . . . . . . 74 GLY CA . 51976 1 328 . 1 . 1 74 74 GLY N N 15 110.599 . . . . . . . . 74 GLY N . 51976 1 329 . 1 . 1 75 75 GLN H H 1 8.320 . . . . . . . . 75 GLN HN . 51976 1 330 . 1 . 1 75 75 GLN C C 13 176.465 . . . . . . . . 75 GLN C . 51976 1 331 . 1 . 1 75 75 GLN CA C 13 55.992 . . . . . . . . 75 GLN CA . 51976 1 332 . 1 . 1 75 75 GLN CB C 13 29.471 . . . . . . . . 75 GLN CB . 51976 1 333 . 1 . 1 75 75 GLN N N 15 119.687 . . . . . . . . 75 GLN N . 51976 1 334 . 1 . 1 76 76 THR H H 1 8.318 . . . . . . . . 76 THR HN . 51976 1 335 . 1 . 1 76 76 THR C C 13 175.093 . . . . . . . . 76 THR C . 51976 1 336 . 1 . 1 76 76 THR CA C 13 62.031 . . . . . . . . 76 THR CA . 51976 1 337 . 1 . 1 76 76 THR CB C 13 69.877 . . . . . . . . 76 THR CB . 51976 1 338 . 1 . 1 76 76 THR N N 15 114.028 . . . . . . . . 76 THR N . 51976 1 339 . 1 . 1 77 77 GLY H H 1 8.443 . . . . . . . . 77 GLY HN . 51976 1 340 . 1 . 1 77 77 GLY CA C 13 45.103 . . . . . . . . 77 GLY CA . 51976 1 341 . 1 . 1 77 77 GLY N N 15 110.936 . . . . . . . . 77 GLY N . 51976 1 342 . 1 . 1 78 78 LEU CA C 13 52.800 . . . . . . . . 78 LEU CA . 51976 1 343 . 1 . 1 78 78 LEU CB C 13 41.700 . . . . . . . . 78 LEU CB . 51976 1 344 . 1 . 1 79 79 PRO C C 13 176.255 . . . . . . . . 79 PRO C . 51976 1 345 . 1 . 1 79 79 PRO CA C 13 63.180 . . . . . . . . 79 PRO CA . 51976 1 346 . 1 . 1 79 79 PRO CB C 13 31.735 . . . . . . . . 79 PRO CB . 51976 1 347 . 1 . 1 80 80 TYR H H 1 8.119 . . . . . . . . 80 TYR HN . 51976 1 348 . 1 . 1 80 80 TYR C C 13 175.790 . . . . . . . . 80 TYR C . 51976 1 349 . 1 . 1 80 80 TYR CA C 13 57.429 . . . . . . . . 80 TYR CA . 51976 1 350 . 1 . 1 80 80 TYR CB C 13 38.946 . . . . . . . . 80 TYR CB . 51976 1 351 . 1 . 1 80 80 TYR N N 15 119.510 . . . . . . . . 80 TYR N . 51976 1 352 . 1 . 1 81 81 GLY H H 1 8.183 . . . . . . . . 81 GLY HN . 51976 1 353 . 1 . 1 81 81 GLY CA C 13 44.568 . . . . . . . . 81 GLY CA . 51976 1 354 . 1 . 1 81 81 GLY N N 15 110.412 . . . . . . . . 81 GLY N . 51976 1 355 . 1 . 1 82 82 PRO C C 13 177.844 . . . . . . . . 82 PRO C . 51976 1 356 . 1 . 1 82 82 PRO CA C 13 63.661 . . . . . . . . 82 PRO CA . 51976 1 357 . 1 . 1 82 82 PRO CB C 13 31.912 . . . . . . . . 82 PRO CB . 51976 1 358 . 1 . 1 83 83 GLY H H 1 8.797 . . . . . . . . 83 GLY HN . 51976 1 359 . 1 . 1 83 83 GLY C C 13 174.649 . . . . . . . . 83 GLY C . 51976 1 360 . 1 . 1 83 83 GLY CA C 13 45.279 . . . . . . . . 83 GLY CA . 51976 1 361 . 1 . 1 83 83 GLY N N 15 110.866 . . . . . . . . 83 GLY N . 51976 1 362 . 1 . 1 84 84 SER H H 1 8.182 . . . . . . . . 84 SER HN . 51976 1 363 . 1 . 1 84 84 SER C C 13 174.879 . . . . . . . . 84 SER C . 51976 1 364 . 1 . 1 84 84 SER CA C 13 58.937 . . . . . . . . 84 SER CA . 51976 1 365 . 1 . 1 84 84 SER CB C 13 63.847 . . . . . . . . 84 SER CB . 51976 1 366 . 1 . 1 84 84 SER N N 15 115.887 . . . . . . . . 84 SER N . 51976 1 367 . 1 . 1 85 85 GLU H H 1 8.739 . . . . . . . . 85 GLU HN . 51976 1 368 . 1 . 1 85 85 GLU C C 13 176.662 . . . . . . . . 85 GLU C . 51976 1 369 . 1 . 1 85 85 GLU CA C 13 57.167 . . . . . . . . 85 GLU CA . 51976 1 370 . 1 . 1 85 85 GLU CB C 13 29.715 . . . . . . . . 85 GLU CB . 51976 1 371 . 1 . 1 85 85 GLU N N 15 122.975 . . . . . . . . 85 GLU N . 51976 1 372 . 1 . 1 86 86 ALA H H 1 8.270 . . . . . . . . 86 ALA HN . 51976 1 373 . 1 . 1 86 86 ALA CA C 13 52.879 . . . . . . . . 86 ALA CA . 51976 1 374 . 1 . 1 86 86 ALA CB C 13 18.973 . . . . . . . . 86 ALA CB . 51976 1 375 . 1 . 1 86 86 ALA N N 15 124.155 . . . . . . . . 86 ALA N . 51976 1 376 . 1 . 1 87 87 ALA H H 1 8.148 . . . . . . . . 87 ALA HN . 51976 1 377 . 1 . 1 87 87 ALA C C 13 177.705 . . . . . . . . 87 ALA C . 51976 1 378 . 1 . 1 87 87 ALA CA C 13 52.746 . . . . . . . . 87 ALA CA . 51976 1 379 . 1 . 1 87 87 ALA CB C 13 19.020 . . . . . . . . 87 ALA CB . 51976 1 380 . 1 . 1 87 87 ALA N N 15 122.584 . . . . . . . . 87 ALA N . 51976 1 381 . 1 . 1 88 88 ALA H H 1 8.121 . . . . . . . . 88 ALA HN . 51976 1 382 . 1 . 1 88 88 ALA C C 13 177.717 . . . . . . . . 88 ALA C . 51976 1 383 . 1 . 1 88 88 ALA CA C 13 52.615 . . . . . . . . 88 ALA CA . 51976 1 384 . 1 . 1 88 88 ALA CB C 13 19.070 . . . . . . . . 88 ALA CB . 51976 1 385 . 1 . 1 88 88 ALA N N 15 122.538 . . . . . . . . 88 ALA N . 51976 1 386 . 1 . 1 89 89 PHE H H 1 8.196 . . . . . . . . 89 PHE HN . 51976 1 387 . 1 . 1 89 89 PHE C C 13 176.543 . . . . . . . . 89 PHE C . 51976 1 388 . 1 . 1 89 89 PHE CA C 13 58.156 . . . . . . . . 89 PHE CA . 51976 1 389 . 1 . 1 89 89 PHE CB C 13 39.401 . . . . . . . . 89 PHE CB . 51976 1 390 . 1 . 1 89 89 PHE N N 15 119.312 . . . . . . . . 89 PHE N . 51976 1 391 . 1 . 1 90 90 GLY H H 1 8.309 . . . . . . . . 90 GLY HN . 51976 1 392 . 1 . 1 90 90 GLY CA C 13 45.236 . . . . . . . . 90 GLY CA . 51976 1 393 . 1 . 1 90 90 GLY N N 15 110.552 . . . . . . . . 90 GLY N . 51976 1 394 . 1 . 1 91 91 SER C C 13 174.681 . . . . . . . . 91 SER C . 51976 1 395 . 1 . 1 91 91 SER CA C 13 58.584 . . . . . . . . 91 SER CA . 51976 1 396 . 1 . 1 91 91 SER CB C 13 63.707 . . . . . . . . 91 SER CB . 51976 1 397 . 1 . 1 92 92 ASN H H 1 8.575 . . . . . . . . 92 ASN HN . 51976 1 398 . 1 . 1 92 92 ASN C C 13 175.736 . . . . . . . . 92 ASN C . 51976 1 399 . 1 . 1 92 92 ASN CA C 13 53.256 . . . . . . . . 92 ASN CA . 51976 1 400 . 1 . 1 92 92 ASN CB C 13 38.634 . . . . . . . . 92 ASN CB . 51976 1 401 . 1 . 1 92 92 ASN N N 15 120.176 . . . . . . . . 92 ASN N . 51976 1 402 . 1 . 1 93 93 GLY H H 1 8.348 . . . . . . . . 93 GLY HN . 51976 1 403 . 1 . 1 93 93 GLY C C 13 174.371 . . . . . . . . 93 GLY C . 51976 1 404 . 1 . 1 93 93 GLY CA C 13 45.395 . . . . . . . . 93 GLY CA . 51976 1 405 . 1 . 1 93 93 GLY N N 15 108.646 . . . . . . . . 93 GLY N . 51976 1 406 . 1 . 1 94 94 LEU H H 1 8.168 . . . . . . . . 94 LEU HN . 51976 1 407 . 1 . 1 94 94 LEU C C 13 178.131 . . . . . . . . 94 LEU C . 51976 1 408 . 1 . 1 94 94 LEU CA C 13 55.273 . . . . . . . . 94 LEU CA . 51976 1 409 . 1 . 1 94 94 LEU CB C 13 42.195 . . . . . . . . 94 LEU CB . 51976 1 410 . 1 . 1 94 94 LEU N N 15 121.408 . . . . . . . . 94 LEU N . 51976 1 411 . 1 . 1 95 95 GLY H H 1 8.537 . . . . . . . . 95 GLY HN . 51976 1 412 . 1 . 1 95 95 GLY C C 13 174.356 . . . . . . . . 95 GLY C . 51976 1 413 . 1 . 1 95 95 GLY CA C 13 45.294 . . . . . . . . 95 GLY CA . 51976 1 414 . 1 . 1 95 95 GLY N N 15 109.634 . . . . . . . . 95 GLY N . 51976 1 415 . 1 . 1 96 96 GLY H H 1 8.168 . . . . . . . . 96 GLY HN . 51976 1 416 . 1 . 1 96 96 GLY C C 13 172.515 . . . . . . . . 96 GLY C . 51976 1 417 . 1 . 1 96 96 GLY CA C 13 44.969 . . . . . . . . 96 GLY CA . 51976 1 418 . 1 . 1 96 96 GLY N N 15 108.126 . . . . . . . . 96 GLY N . 51976 1 419 . 1 . 1 97 97 PHE H H 1 8.099 . . . . . . . . 97 PHE HN . 51976 1 420 . 1 . 1 97 97 PHE CA C 13 55.525 . . . . . . . . 97 PHE CA . 51976 1 421 . 1 . 1 97 97 PHE CB C 13 41.735 . . . . . . . . 97 PHE CB . 51976 1 422 . 1 . 1 97 97 PHE N N 15 120.453 . . . . . . . . 97 PHE N . 51976 1 423 . 1 . 1 98 98 PRO CA C 13 61.600 . . . . . . . . 98 PRO CA . 51976 1 424 . 1 . 1 99 99 PRO C C 13 177.033 . . . . . . . . 99 PRO C . 51976 1 425 . 1 . 1 99 99 PRO CA C 13 62.712 . . . . . . . . 99 PRO CA . 51976 1 426 . 1 . 1 99 99 PRO CB C 13 32.046 . . . . . . . . 99 PRO CB . 51976 1 427 . 1 . 1 100 100 LEU H H 1 8.505 . . . . . . . . 100 LEU HN . 51976 1 428 . 1 . 1 100 100 LEU C C 13 177.366 . . . . . . . . 100 LEU C . 51976 1 429 . 1 . 1 100 100 LEU CA C 13 55.445 . . . . . . . . 100 LEU CA . 51976 1 430 . 1 . 1 100 100 LEU CB C 13 42.307 . . . . . . . . 100 LEU CB . 51976 1 431 . 1 . 1 100 100 LEU N N 15 122.708 . . . . . . . . 100 LEU N . 51976 1 432 . 1 . 1 101 101 ASN H H 1 8.570 . . . . . . . . 101 ASN HN . 51976 1 433 . 1 . 1 101 101 ASN C C 13 175.043 . . . . . . . . 101 ASN C . 51976 1 434 . 1 . 1 101 101 ASN CA C 13 53.140 . . . . . . . . 101 ASN CA . 51976 1 435 . 1 . 1 101 101 ASN CB C 13 38.727 . . . . . . . . 101 ASN CB . 51976 1 436 . 1 . 1 101 101 ASN N N 15 119.190 . . . . . . . . 101 ASN N . 51976 1 437 . 1 . 1 102 102 SER H H 1 8.308 . . . . . . . . 102 SER HN . 51976 1 438 . 1 . 1 102 102 SER C C 13 174.293 . . . . . . . . 102 SER C . 51976 1 439 . 1 . 1 102 102 SER CA C 13 58.372 . . . . . . . . 102 SER CA . 51976 1 440 . 1 . 1 102 102 SER CB C 13 63.788 . . . . . . . . 102 SER CB . 51976 1 441 . 1 . 1 102 102 SER N N 15 116.101 . . . . . . . . 102 SER N . 51976 1 442 . 1 . 1 103 103 VAL H H 1 8.230 . . . . . . . . 103 VAL HN . 51976 1 443 . 1 . 1 103 103 VAL C C 13 176.083 . . . . . . . . 103 VAL C . 51976 1 444 . 1 . 1 103 103 VAL CA C 13 62.013 . . . . . . . . 103 VAL CA . 51976 1 445 . 1 . 1 103 103 VAL CB C 13 32.835 . . . . . . . . 103 VAL CB . 51976 1 446 . 1 . 1 103 103 VAL N N 15 121.706 . . . . . . . . 103 VAL N . 51976 1 447 . 1 . 1 104 104 SER H H 1 8.478 . . . . . . . . 104 SER HN . 51976 1 448 . 1 . 1 104 104 SER CA C 13 56.457 . . . . . . . . 104 SER CA . 51976 1 449 . 1 . 1 104 104 SER CB C 13 63.174 . . . . . . . . 104 SER CB . 51976 1 450 . 1 . 1 104 104 SER N N 15 118.226 . . . . . . . . 104 SER N . 51976 1 451 . 1 . 1 105 105 PRO C C 13 175.990 . . . . . . . . 105 PRO C . 51976 1 452 . 1 . 1 105 105 PRO CA C 13 62.046 . . . . . . . . 105 PRO CA . 51976 1 453 . 1 . 1 105 105 PRO CB C 13 32.930 . . . . . . . . 105 PRO CB . 51976 1 454 . 1 . 1 106 106 SER H H 1 8.529 . . . . . . . . 106 SER HN . 51976 1 455 . 1 . 1 106 106 SER CA C 13 55.540 . . . . . . . . 106 SER CA . 51976 1 456 . 1 . 1 106 106 SER CB C 13 63.706 . . . . . . . . 106 SER CB . 51976 1 457 . 1 . 1 106 106 SER N N 15 121.630 . . . . . . . . 106 SER N . 51976 1 458 . 1 . 1 107 107 PRO C C 13 177.069 . . . . . . . . 107 PRO C . 51976 1 459 . 1 . 1 107 107 PRO CA C 13 63.512 . . . . . . . . 107 PRO CA . 51976 1 460 . 1 . 1 107 107 PRO CB C 13 32.109 . . . . . . . . 107 PRO CB . 51976 1 461 . 1 . 1 108 108 LEU H H 1 8.237 . . . . . . . . 108 LEU HN . 51976 1 462 . 1 . 1 108 108 LEU C C 13 177.517 . . . . . . . . 108 LEU C . 51976 1 463 . 1 . 1 108 108 LEU CA C 13 55.574 . . . . . . . . 108 LEU CA . 51976 1 464 . 1 . 1 108 108 LEU CB C 13 42.016 . . . . . . . . 108 LEU CB . 51976 1 465 . 1 . 1 108 108 LEU N N 15 121.042 . . . . . . . . 108 LEU N . 51976 1 466 . 1 . 1 109 109 MET H H 1 8.214 . . . . . . . . 109 MET HN . 51976 1 467 . 1 . 1 109 109 MET C C 13 175.936 . . . . . . . . 109 MET C . 51976 1 468 . 1 . 1 109 109 MET CA C 13 55.387 . . . . . . . . 109 MET CA . 51976 1 469 . 1 . 1 109 109 MET CB C 13 32.600 . . . . . . . . 109 MET CB . 51976 1 470 . 1 . 1 109 109 MET N N 15 120.839 . . . . . . . . 109 MET N . 51976 1 471 . 1 . 1 110 110 LEU H H 1 8.132 . . . . . . . . 110 LEU HN . 51976 1 472 . 1 . 1 110 110 LEU C C 13 176.926 . . . . . . . . 110 LEU C . 51976 1 473 . 1 . 1 110 110 LEU CA C 13 55.073 . . . . . . . . 110 LEU CA . 51976 1 474 . 1 . 1 110 110 LEU CB C 13 42.254 . . . . . . . . 110 LEU CB . 51976 1 475 . 1 . 1 110 110 LEU N N 15 123.023 . . . . . . . . 110 LEU N . 51976 1 476 . 1 . 1 111 111 LEU H H 1 8.125 . . . . . . . . 111 LEU HN . 51976 1 477 . 1 . 1 111 111 LEU C C 13 176.596 . . . . . . . . 111 LEU C . 51976 1 478 . 1 . 1 111 111 LEU CA C 13 55.064 . . . . . . . . 111 LEU CA . 51976 1 479 . 1 . 1 111 111 LEU CB C 13 42.406 . . . . . . . . 111 LEU CB . 51976 1 480 . 1 . 1 111 111 LEU N N 15 122.357 . . . . . . . . 111 LEU N . 51976 1 481 . 1 . 1 112 112 HIS H H 1 8.249 . . . . . . . . 112 HIS HN . 51976 1 482 . 1 . 1 112 112 HIS CA C 13 52.947 . . . . . . . . 112 HIS CA . 51976 1 483 . 1 . 1 112 112 HIS CB C 13 29.825 . . . . . . . . 112 HIS CB . 51976 1 484 . 1 . 1 112 112 HIS N N 15 120.003 . . . . . . . . 112 HIS N . 51976 1 485 . 1 . 1 113 113 PRO CA C 13 61.600 . . . . . . . . 113 PRO CA . 51976 1 486 . 1 . 1 114 114 PRO CA C 13 61.500 . . . . . . . . 114 PRO CA . 51976 1 487 . 1 . 1 115 115 PRO C C 13 176.691 . . . . . . . . 115 PRO C . 51976 1 488 . 1 . 1 115 115 PRO CA C 13 62.958 . . . . . . . . 115 PRO CA . 51976 1 489 . 1 . 1 115 115 PRO CB C 13 32.043 . . . . . . . . 115 PRO CB . 51976 1 490 . 1 . 1 116 116 GLN H H 1 8.568 . . . . . . . . 116 GLN HN . 51976 1 491 . 1 . 1 116 116 GLN C C 13 175.743 . . . . . . . . 116 GLN C . 51976 1 492 . 1 . 1 116 116 GLN CA C 13 55.480 . . . . . . . . 116 GLN CA . 51976 1 493 . 1 . 1 116 116 GLN CB C 13 29.492 . . . . . . . . 116 GLN CB . 51976 1 494 . 1 . 1 116 116 GLN N N 15 120.768 . . . . . . . . 116 GLN N . 51976 1 495 . 1 . 1 117 117 LEU H H 1 8.169 . . . . . . . . 117 LEU HN . 51976 1 496 . 1 . 1 117 117 LEU C C 13 176.673 . . . . . . . . 117 LEU C . 51976 1 497 . 1 . 1 117 117 LEU CA C 13 54.719 . . . . . . . . 117 LEU CA . 51976 1 498 . 1 . 1 117 117 LEU CB C 13 42.544 . . . . . . . . 117 LEU CB . 51976 1 499 . 1 . 1 117 117 LEU N N 15 123.408 . . . . . . . . 117 LEU N . 51976 1 500 . 1 . 1 118 118 ASP H H 1 8.472 . . . . . . . . 118 ASP HN . 51976 1 501 . 1 . 1 118 118 ASP CA C 13 52.007 . . . . . . . . 118 ASP CA . 51976 1 502 . 1 . 1 118 118 ASP CB C 13 41.349 . . . . . . . . 118 ASP CB . 51976 1 503 . 1 . 1 118 118 ASP N N 15 123.566 . . . . . . . . 118 ASP N . 51976 1 504 . 1 . 1 119 119 PRO C C 13 177.094 . . . . . . . . 119 PRO C . 51976 1 505 . 1 . 1 119 119 PRO CA C 13 63.627 . . . . . . . . 119 PRO CA . 51976 1 506 . 1 . 1 119 119 PRO CB C 13 31.983 . . . . . . . . 119 PRO CB . 51976 1 507 . 1 . 1 120 120 PHE H H 1 8.392 . . . . . . . . 120 PHE HN . 51976 1 508 . 1 . 1 120 120 PHE C C 13 175.857 . . . . . . . . 120 PHE C . 51976 1 509 . 1 . 1 120 120 PHE CA C 13 58.127 . . . . . . . . 120 PHE CA . 51976 1 510 . 1 . 1 120 120 PHE CB C 13 38.747 . . . . . . . . 120 PHE CB . 51976 1 511 . 1 . 1 120 120 PHE N N 15 118.681 . . . . . . . . 120 PHE N . 51976 1 512 . 1 . 1 121 121 LEU H H 1 7.765 . . . . . . . . 121 LEU HN . 51976 1 513 . 1 . 1 121 121 LEU C C 13 176.666 . . . . . . . . 121 LEU C . 51976 1 514 . 1 . 1 121 121 LEU CA C 13 54.744 . . . . . . . . 121 LEU CA . 51976 1 515 . 1 . 1 121 121 LEU CB C 13 42.370 . . . . . . . . 121 LEU CB . 51976 1 516 . 1 . 1 121 121 LEU N N 15 122.016 . . . . . . . . 121 LEU N . 51976 1 517 . 1 . 1 122 122 GLN H H 1 8.192 . . . . . . . . 122 GLN HN . 51976 1 518 . 1 . 1 122 122 GLN CA C 13 53.570 . . . . . . . . 122 GLN CA . 51976 1 519 . 1 . 1 122 122 GLN CB C 13 28.699 . . . . . . . . 122 GLN CB . 51976 1 520 . 1 . 1 122 122 GLN N N 15 122.117 . . . . . . . . 122 GLN N . 51976 1 521 . 1 . 1 123 123 PRO C C 13 176.835 . . . . . . . . 123 PRO C . 51976 1 522 . 1 . 1 123 123 PRO CA C 13 63.281 . . . . . . . . 123 PRO CA . 51976 1 523 . 1 . 1 123 123 PRO CB C 13 31.931 . . . . . . . . 123 PRO CB . 51976 1 524 . 1 . 1 124 124 HIS H H 1 8.624 . . . . . . . . 124 HIS HN . 51976 1 525 . 1 . 1 124 124 HIS C C 13 177.253 . . . . . . . . 124 HIS C . 51976 1 526 . 1 . 1 124 124 HIS CA C 13 57.024 . . . . . . . . 124 HIS CA . 51976 1 527 . 1 . 1 124 124 HIS CB C 13 30.009 . . . . . . . . 124 HIS CB . 51976 1 528 . 1 . 1 124 124 HIS N N 15 120.955 . . . . . . . . 124 HIS N . 51976 1 529 . 1 . 1 125 125 GLY H H 1 8.516 . . . . . . . . 125 GLY HN . 51976 1 530 . 1 . 1 125 125 GLY C C 13 174.020 . . . . . . . . 125 GLY C . 51976 1 531 . 1 . 1 125 125 GLY CA C 13 45.249 . . . . . . . . 125 GLY CA . 51976 1 532 . 1 . 1 125 125 GLY N N 15 110.472 . . . . . . . . 125 GLY N . 51976 1 533 . 1 . 1 126 126 GLN H H 1 8.405 . . . . . . . . 126 GLN HN . 51976 1 534 . 1 . 1 126 126 GLN C C 13 175.857 . . . . . . . . 126 GLN C . 51976 1 535 . 1 . 1 126 126 GLN CA C 13 55.654 . . . . . . . . 126 GLN CA . 51976 1 536 . 1 . 1 126 126 GLN CB C 13 29.528 . . . . . . . . 126 GLN CB . 51976 1 537 . 1 . 1 126 126 GLN N N 15 119.962 . . . . . . . . 126 GLN N . 51976 1 538 . 1 . 1 127 127 GLN H H 1 8.573 . . . . . . . . 127 GLN HN . 51976 1 539 . 1 . 1 127 127 GLN C C 13 175.760 . . . . . . . . 127 GLN C . 51976 1 540 . 1 . 1 127 127 GLN CA C 13 55.661 . . . . . . . . 127 GLN CA . 51976 1 541 . 1 . 1 127 127 GLN CB C 13 29.441 . . . . . . . . 127 GLN CB . 51976 1 542 . 1 . 1 127 127 GLN N N 15 122.100 . . . . . . . . 127 GLN N . 51976 1 543 . 1 . 1 128 128 VAL H H 1 8.334 . . . . . . . . 128 VAL HN . 51976 1 544 . 1 . 1 128 128 VAL CA C 13 59.938 . . . . . . . . 128 VAL CA . 51976 1 545 . 1 . 1 128 128 VAL CB C 13 32.463 . . . . . . . . 128 VAL CB . 51976 1 546 . 1 . 1 128 128 VAL N N 15 123.200 . . . . . . . . 128 VAL N . 51976 1 547 . 1 . 1 129 129 PRO C C 13 176.184 . . . . . . . . 129 PRO C . 51976 1 548 . 1 . 1 129 129 PRO CA C 13 63.129 . . . . . . . . 129 PRO CA . 51976 1 549 . 1 . 1 129 129 PRO CB C 13 32.078 . . . . . . . . 129 PRO CB . 51976 1 550 . 1 . 1 130 130 TYR H H 1 8.173 . . . . . . . . 130 TYR HN . 51976 1 551 . 1 . 1 130 130 TYR C C 13 175.219 . . . . . . . . 130 TYR C . 51976 1 552 . 1 . 1 130 130 TYR CA C 13 58.059 . . . . . . . . 130 TYR CA . 51976 1 553 . 1 . 1 130 130 TYR CB C 13 38.835 . . . . . . . . 130 TYR CB . 51976 1 554 . 1 . 1 130 130 TYR N N 15 120.489 . . . . . . . . 130 TYR N . 51976 1 555 . 1 . 1 131 131 TYR H H 1 7.907 . . . . . . . . 131 TYR HN . 51976 1 556 . 1 . 1 131 131 TYR C C 13 175.339 . . . . . . . . 131 TYR C . 51976 1 557 . 1 . 1 131 131 TYR CA C 13 57.719 . . . . . . . . 131 TYR CA . 51976 1 558 . 1 . 1 131 131 TYR CB C 13 38.843 . . . . . . . . 131 TYR CB . 51976 1 559 . 1 . 1 131 131 TYR N N 15 121.635 . . . . . . . . 131 TYR N . 51976 1 560 . 1 . 1 132 132 LEU H H 1 8.237 . . . . . . . . 132 LEU HN . 51976 1 561 . 1 . 1 132 132 LEU C C 13 176.803 . . . . . . . . 132 LEU C . 51976 1 562 . 1 . 1 132 132 LEU CA C 13 54.761 . . . . . . . . 132 LEU CA . 51976 1 563 . 1 . 1 132 132 LEU CB C 13 42.529 . . . . . . . . 132 LEU CB . 51976 1 564 . 1 . 1 132 132 LEU N N 15 125.333 . . . . . . . . 132 LEU N . 51976 1 565 . 1 . 1 133 133 GLU H H 1 8.360 . . . . . . . . 133 GLU HN . 51976 1 566 . 1 . 1 133 133 GLU C C 13 176.070 . . . . . . . . 133 GLU C . 51976 1 567 . 1 . 1 133 133 GLU CA C 13 56.818 . . . . . . . . 133 GLU CA . 51976 1 568 . 1 . 1 133 133 GLU CB C 13 30.146 . . . . . . . . 133 GLU CB . 51976 1 569 . 1 . 1 133 133 GLU N N 15 121.631 . . . . . . . . 133 GLU N . 51976 1 570 . 1 . 1 134 134 ASN H H 1 8.443 . . . . . . . . 134 ASN HN . 51976 1 571 . 1 . 1 134 134 ASN C C 13 174.687 . . . . . . . . 134 ASN C . 51976 1 572 . 1 . 1 134 134 ASN CA C 13 53.113 . . . . . . . . 134 ASN CA . 51976 1 573 . 1 . 1 134 134 ASN CB C 13 39.026 . . . . . . . . 134 ASN CB . 51976 1 574 . 1 . 1 134 134 ASN N N 15 118.676 . . . . . . . . 134 ASN N . 51976 1 575 . 1 . 1 135 135 GLU H H 1 8.298 . . . . . . . . 135 GLU HN . 51976 1 576 . 1 . 1 135 135 GLU CA C 13 54.411 . . . . . . . . 135 GLU CA . 51976 1 577 . 1 . 1 135 135 GLU CB C 13 29.699 . . . . . . . . 135 GLU CB . 51976 1 578 . 1 . 1 135 135 GLU N N 15 122.230 . . . . . . . . 135 GLU N . 51976 1 579 . 1 . 1 136 136 PRO C C 13 177.090 . . . . . . . . 136 PRO C . 51976 1 580 . 1 . 1 136 136 PRO CA C 13 63.387 . . . . . . . . 136 PRO CA . 51976 1 581 . 1 . 1 136 136 PRO CB C 13 32.050 . . . . . . . . 136 PRO CB . 51976 1 582 . 1 . 1 137 137 SER H H 1 8.562 . . . . . . . . 137 SER HN . 51976 1 583 . 1 . 1 137 137 SER C C 13 175.210 . . . . . . . . 137 SER C . 51976 1 584 . 1 . 1 137 137 SER CA C 13 58.762 . . . . . . . . 137 SER CA . 51976 1 585 . 1 . 1 137 137 SER CB C 13 63.744 . . . . . . . . 137 SER CB . 51976 1 586 . 1 . 1 137 137 SER N N 15 116.167 . . . . . . . . 137 SER N . 51976 1 587 . 1 . 1 138 138 GLY H H 1 8.454 . . . . . . . . 138 GLY HN . 51976 1 588 . 1 . 1 138 138 GLY C C 13 173.731 . . . . . . . . 138 GLY C . 51976 1 589 . 1 . 1 138 138 GLY CA C 13 45.221 . . . . . . . . 138 GLY CA . 51976 1 590 . 1 . 1 138 138 GLY N N 15 110.832 . . . . . . . . 138 GLY N . 51976 1 591 . 1 . 1 139 139 TYR H H 1 8.098 . . . . . . . . 139 TYR HN . 51976 1 592 . 1 . 1 139 139 TYR C C 13 175.783 . . . . . . . . 139 TYR C . 51976 1 593 . 1 . 1 139 139 TYR CA C 13 58.068 . . . . . . . . 139 TYR CA . 51976 1 594 . 1 . 1 139 139 TYR CB C 13 38.851 . . . . . . . . 139 TYR CB . 51976 1 595 . 1 . 1 139 139 TYR N N 15 120.170 . . . . . . . . 139 TYR N . 51976 1 596 . 1 . 1 140 140 THR H H 1 8.130 . . . . . . . . 140 THR HN . 51976 1 597 . 1 . 1 140 140 THR C C 13 173.854 . . . . . . . . 140 THR C . 51976 1 598 . 1 . 1 140 140 THR CA C 13 61.734 . . . . . . . . 140 THR CA . 51976 1 599 . 1 . 1 140 140 THR CB C 13 70.087 . . . . . . . . 140 THR CB . 51976 1 600 . 1 . 1 140 140 THR N N 15 117.432 . . . . . . . . 140 THR N . 51976 1 601 . 1 . 1 141 141 VAL H H 1 8.268 . . . . . . . . 141 VAL HN . 51976 1 602 . 1 . 1 141 141 VAL C C 13 175.984 . . . . . . . . 141 VAL C . 51976 1 603 . 1 . 1 141 141 VAL CA C 13 62.443 . . . . . . . . 141 VAL CA . 51976 1 604 . 1 . 1 141 141 VAL CB C 13 32.654 . . . . . . . . 141 VAL CB . 51976 1 605 . 1 . 1 141 141 VAL N N 15 123.492 . . . . . . . . 141 VAL N . 51976 1 606 . 1 . 1 142 142 ARG H H 1 8.487 . . . . . . . . 142 ARG HN . 51976 1 607 . 1 . 1 142 142 ARG C C 13 176.147 . . . . . . . . 142 ARG C . 51976 1 608 . 1 . 1 142 142 ARG CA C 13 55.933 . . . . . . . . 142 ARG CA . 51976 1 609 . 1 . 1 142 142 ARG CB C 13 30.950 . . . . . . . . 142 ARG CB . 51976 1 610 . 1 . 1 142 142 ARG N N 15 125.673 . . . . . . . . 142 ARG N . 51976 1 611 . 1 . 1 143 143 GLU H H 1 8.553 . . . . . . . . 143 GLU HN . 51976 1 612 . 1 . 1 143 143 GLU C C 13 176.646 . . . . . . . . 143 GLU C . 51976 1 613 . 1 . 1 143 143 GLU CA C 13 56.617 . . . . . . . . 143 GLU CA . 51976 1 614 . 1 . 1 143 143 GLU CB C 13 30.287 . . . . . . . . 143 GLU CB . 51976 1 615 . 1 . 1 143 143 GLU N N 15 122.950 . . . . . . . . 143 GLU N . 51976 1 616 . 1 . 1 144 144 ALA H H 1 8.493 . . . . . . . . 144 ALA HN . 51976 1 617 . 1 . 1 144 144 ALA C C 13 177.783 . . . . . . . . 144 ALA C . 51976 1 618 . 1 . 1 144 144 ALA CA C 13 52.559 . . . . . . . . 144 ALA CA . 51976 1 619 . 1 . 1 144 144 ALA CB C 13 19.440 . . . . . . . . 144 ALA CB . 51976 1 620 . 1 . 1 144 144 ALA N N 15 125.473 . . . . . . . . 144 ALA N . 51976 1 621 . 1 . 1 145 145 GLY H H 1 8.244 . . . . . . . . 145 GLY HN . 51976 1 622 . 1 . 1 145 145 GLY CA C 13 44.348 . . . . . . . . 145 GLY CA . 51976 1 623 . 1 . 1 145 145 GLY N N 15 108.346 . . . . . . . . 145 GLY N . 51976 1 624 . 1 . 1 146 146 PRO CA C 13 61.600 . . . . . . . . 146 PRO CA . 51976 1 625 . 1 . 1 147 147 PRO C C 13 176.546 . . . . . . . . 147 PRO C . 51976 1 626 . 1 . 1 147 147 PRO CA C 13 62.932 . . . . . . . . 147 PRO CA . 51976 1 627 . 1 . 1 147 147 PRO CB C 13 31.971 . . . . . . . . 147 PRO CB . 51976 1 628 . 1 . 1 148 148 ALA H H 1 8.440 . . . . . . . . 148 ALA HN . 51976 1 629 . 1 . 1 148 148 ALA C C 13 177.259 . . . . . . . . 148 ALA C . 51976 1 630 . 1 . 1 148 148 ALA CA C 13 52.521 . . . . . . . . 148 ALA CA . 51976 1 631 . 1 . 1 148 148 ALA CB C 13 19.264 . . . . . . . . 148 ALA CB . 51976 1 632 . 1 . 1 148 148 ALA N N 15 123.809 . . . . . . . . 148 ALA N . 51976 1 633 . 1 . 1 149 149 PHE H H 1 8.100 . . . . . . . . 149 PHE HN . 51976 1 634 . 1 . 1 149 149 PHE C C 13 174.956 . . . . . . . . 149 PHE C . 51976 1 635 . 1 . 1 149 149 PHE CA C 13 57.455 . . . . . . . . 149 PHE CA . 51976 1 636 . 1 . 1 149 149 PHE CB C 13 39.769 . . . . . . . . 149 PHE CB . 51976 1 637 . 1 . 1 149 149 PHE N N 15 118.611 . . . . . . . . 149 PHE N . 51976 1 638 . 1 . 1 150 150 TYR H H 1 8.162 . . . . . . . . 150 TYR HN . 51976 1 639 . 1 . 1 150 150 TYR C C 13 174.638 . . . . . . . . 150 TYR C . 51976 1 640 . 1 . 1 150 150 TYR CA C 13 57.728 . . . . . . . . 150 TYR CA . 51976 1 641 . 1 . 1 150 150 TYR CB C 13 39.055 . . . . . . . . 150 TYR CB . 51976 1 642 . 1 . 1 150 150 TYR N N 15 122.678 . . . . . . . . 150 TYR N . 51976 1 643 . 1 . 1 151 151 ARG H H 1 8.196 . . . . . . . . 151 ARG HN . 51976 1 644 . 1 . 1 151 151 ARG CA C 13 53.295 . . . . . . . . 151 ARG CA . 51976 1 645 . 1 . 1 151 151 ARG CB C 13 30.642 . . . . . . . . 151 ARG CB . 51976 1 646 . 1 . 1 151 151 ARG N N 15 125.713 . . . . . . . . 151 ARG N . 51976 1 647 . 1 . 1 152 152 PRO C C 13 176.638 . . . . . . . . 152 PRO C . 51976 1 648 . 1 . 1 152 152 PRO CA C 13 63.090 . . . . . . . . 152 PRO CA . 51976 1 649 . 1 . 1 152 152 PRO CB C 13 32.109 . . . . . . . . 152 PRO CB . 51976 1 650 . 1 . 1 153 153 ASN H H 1 8.690 . . . . . . . . 153 ASN HN . 51976 1 651 . 1 . 1 153 153 ASN C C 13 175.457 . . . . . . . . 153 ASN C . 51976 1 652 . 1 . 1 153 153 ASN CA C 13 53.420 . . . . . . . . 153 ASN CA . 51976 1 653 . 1 . 1 153 153 ASN CB C 13 38.673 . . . . . . . . 153 ASN CB . 51976 1 654 . 1 . 1 153 153 ASN N N 15 118.809 . . . . . . . . 153 ASN N . 51976 1 655 . 1 . 1 154 154 SER H H 1 8.353 . . . . . . . . 154 SER HN . 51976 1 656 . 1 . 1 154 154 SER C C 13 174.307 . . . . . . . . 154 SER C . 51976 1 657 . 1 . 1 154 154 SER CA C 13 58.651 . . . . . . . . 154 SER CA . 51976 1 658 . 1 . 1 154 154 SER CB C 13 63.702 . . . . . . . . 154 SER CB . 51976 1 659 . 1 . 1 154 154 SER N N 15 115.991 . . . . . . . . 154 SER N . 51976 1 660 . 1 . 1 155 155 ASP H H 1 8.416 . . . . . . . . 155 ASP HN . 51976 1 661 . 1 . 1 155 155 ASP C C 13 176.183 . . . . . . . . 155 ASP C . 51976 1 662 . 1 . 1 155 155 ASP CA C 13 54.385 . . . . . . . . 155 ASP CA . 51976 1 663 . 1 . 1 155 155 ASP CB C 13 40.987 . . . . . . . . 155 ASP CB . 51976 1 664 . 1 . 1 155 155 ASP N N 15 122.153 . . . . . . . . 155 ASP N . 51976 1 665 . 1 . 1 156 156 ASN H H 1 8.437 . . . . . . . . 156 ASN HN . 51976 1 666 . 1 . 1 156 156 ASN CA C 13 53.541 . . . . . . . . 156 ASN CA . 51976 1 667 . 1 . 1 156 156 ASN CB C 13 38.481 . . . . . . . . 156 ASN CB . 51976 1 668 . 1 . 1 156 156 ASN N N 15 119.698 . . . . . . . . 156 ASN N . 51976 1 669 . 1 . 1 157 157 ARG C C 13 176.686 . . . . . . . . 157 ARG C . 51976 1 670 . 1 . 1 157 157 ARG CA C 13 56.657 . . . . . . . . 157 ARG CA . 51976 1 671 . 1 . 1 157 157 ARG CB C 13 30.539 . . . . . . . . 157 ARG CB . 51976 1 672 . 1 . 1 158 158 ARG H H 1 8.381 . . . . . . . . 158 ARG HN . 51976 1 673 . 1 . 1 158 158 ARG C C 13 176.466 . . . . . . . . 158 ARG C . 51976 1 674 . 1 . 1 158 158 ARG CA C 13 56.321 . . . . . . . . 158 ARG CA . 51976 1 675 . 1 . 1 158 158 ARG CB C 13 30.551 . . . . . . . . 158 ARG CB . 51976 1 676 . 1 . 1 158 158 ARG N N 15 121.486 . . . . . . . . 158 ARG N . 51976 1 677 . 1 . 1 159 159 GLN H H 1 8.539 . . . . . . . . 159 GLN HN . 51976 1 678 . 1 . 1 159 159 GLN C C 13 176.544 . . . . . . . . 159 GLN C . 51976 1 679 . 1 . 1 159 159 GLN CA C 13 55.979 . . . . . . . . 159 GLN CA . 51976 1 680 . 1 . 1 159 159 GLN CB C 13 29.401 . . . . . . . . 159 GLN CB . 51976 1 681 . 1 . 1 159 159 GLN N N 15 121.732 . . . . . . . . 159 GLN N . 51976 1 682 . 1 . 1 160 160 GLY H H 1 8.608 . . . . . . . . 160 GLY HN . 51976 1 683 . 1 . 1 160 160 GLY C C 13 174.645 . . . . . . . . 160 GLY C . 51976 1 684 . 1 . 1 160 160 GLY CA C 13 45.304 . . . . . . . . 160 GLY CA . 51976 1 685 . 1 . 1 160 160 GLY N N 15 110.598 . . . . . . . . 160 GLY N . 51976 1 686 . 1 . 1 161 161 GLY H H 1 8.440 . . . . . . . . 161 GLY HN . 51976 1 687 . 1 . 1 161 161 GLY C C 13 174.408 . . . . . . . . 161 GLY C . 51976 1 688 . 1 . 1 161 161 GLY CA C 13 45.271 . . . . . . . . 161 GLY CA . 51976 1 689 . 1 . 1 161 161 GLY N N 15 108.917 . . . . . . . . 161 GLY N . 51976 1 690 . 1 . 1 162 162 ARG H H 1 8.357 . . . . . . . . 162 ARG HN . 51976 1 691 . 1 . 1 162 162 ARG C C 13 176.595 . . . . . . . . 162 ARG C . 51976 1 692 . 1 . 1 162 162 ARG CA C 13 56.373 . . . . . . . . 162 ARG CA . 51976 1 693 . 1 . 1 162 162 ARG CB C 13 30.737 . . . . . . . . 162 ARG CB . 51976 1 694 . 1 . 1 162 162 ARG N N 15 120.570 . . . . . . . . 162 ARG N . 51976 1 695 . 1 . 1 163 163 GLU H H 1 8.678 . . . . . . . . 163 GLU HN . 51976 1 696 . 1 . 1 163 163 GLU C C 13 176.478 . . . . . . . . 163 GLU C . 51976 1 697 . 1 . 1 163 163 GLU CA C 13 56.876 . . . . . . . . 163 GLU CA . 51976 1 698 . 1 . 1 163 163 GLU CB C 13 29.974 . . . . . . . . 163 GLU CB . 51976 1 699 . 1 . 1 163 163 GLU N N 15 122.011 . . . . . . . . 163 GLU N . 51976 1 700 . 1 . 1 164 164 ARG H H 1 8.441 . . . . . . . . 164 ARG HN . 51976 1 701 . 1 . 1 164 164 ARG C C 13 176.245 . . . . . . . . 164 ARG C . 51976 1 702 . 1 . 1 164 164 ARG CA C 13 56.169 . . . . . . . . 164 ARG CA . 51976 1 703 . 1 . 1 164 164 ARG CB C 13 30.679 . . . . . . . . 164 ARG CB . 51976 1 704 . 1 . 1 164 164 ARG N N 15 122.518 . . . . . . . . 164 ARG N . 51976 1 705 . 1 . 1 165 165 LEU H H 1 8.366 . . . . . . . . 165 LEU HN . 51976 1 706 . 1 . 1 165 165 LEU C C 13 177.184 . . . . . . . . 165 LEU C . 51976 1 707 . 1 . 1 165 165 LEU CA C 13 54.994 . . . . . . . . 165 LEU CA . 51976 1 708 . 1 . 1 165 165 LEU CB C 13 42.336 . . . . . . . . 165 LEU CB . 51976 1 709 . 1 . 1 165 165 LEU N N 15 123.907 . . . . . . . . 165 LEU N . 51976 1 710 . 1 . 1 166 166 ALA H H 1 8.438 . . . . . . . . 166 ALA HN . 51976 1 711 . 1 . 1 166 166 ALA C C 13 177.841 . . . . . . . . 166 ALA C . 51976 1 712 . 1 . 1 166 166 ALA CA C 13 52.651 . . . . . . . . 166 ALA CA . 51976 1 713 . 1 . 1 166 166 ALA CB C 13 19.225 . . . . . . . . 166 ALA CB . 51976 1 714 . 1 . 1 166 166 ALA N N 15 125.237 . . . . . . . . 166 ALA N . 51976 1 715 . 1 . 1 167 167 SER H H 1 8.436 . . . . . . . . 167 SER HN . 51976 1 716 . 1 . 1 167 167 SER C C 13 175.045 . . . . . . . . 167 SER C . 51976 1 717 . 1 . 1 167 167 SER CA C 13 58.174 . . . . . . . . 167 SER CA . 51976 1 718 . 1 . 1 167 167 SER CB C 13 63.795 . . . . . . . . 167 SER CB . 51976 1 719 . 1 . 1 167 167 SER N N 15 115.321 . . . . . . . . 167 SER N . 51976 1 720 . 1 . 1 168 168 THR H H 1 8.284 . . . . . . . . 168 THR HN . 51976 1 721 . 1 . 1 168 168 THR C C 13 174.418 . . . . . . . . 168 THR C . 51976 1 722 . 1 . 1 168 168 THR CA C 13 62.021 . . . . . . . . 168 THR CA . 51976 1 723 . 1 . 1 168 168 THR CB C 13 69.615 . . . . . . . . 168 THR CB . 51976 1 724 . 1 . 1 168 168 THR N N 15 115.647 . . . . . . . . 168 THR N . 51976 1 725 . 1 . 1 169 169 ASN H H 1 8.479 . . . . . . . . 169 ASN HN . 51976 1 726 . 1 . 1 169 169 ASN C C 13 174.922 . . . . . . . . 169 ASN C . 51976 1 727 . 1 . 1 169 169 ASN CA C 13 53.196 . . . . . . . . 169 ASN CA . 51976 1 728 . 1 . 1 169 169 ASN CB C 13 38.796 . . . . . . . . 169 ASN CB . 51976 1 729 . 1 . 1 169 169 ASN N N 15 120.573 . . . . . . . . 169 ASN N . 51976 1 730 . 1 . 1 170 170 ASP H H 1 8.338 . . . . . . . . 170 ASP HN . 51976 1 731 . 1 . 1 170 170 ASP C C 13 176.540 . . . . . . . . 170 ASP C . 51976 1 732 . 1 . 1 170 170 ASP CA C 13 54.406 . . . . . . . . 170 ASP CA . 51976 1 733 . 1 . 1 170 170 ASP CB C 13 41.066 . . . . . . . . 170 ASP CB . 51976 1 734 . 1 . 1 170 170 ASP N N 15 121.134 . . . . . . . . 170 ASP N . 51976 1 735 . 1 . 1 171 171 LYS H H 1 8.453 . . . . . . . . 171 LYS HN . 51976 1 736 . 1 . 1 171 171 LYS C C 13 177.531 . . . . . . . . 171 LYS C . 51976 1 737 . 1 . 1 171 171 LYS CA C 13 56.794 . . . . . . . . 171 LYS CA . 51976 1 738 . 1 . 1 171 171 LYS CB C 13 32.525 . . . . . . . . 171 LYS CB . 51976 1 739 . 1 . 1 171 171 LYS N N 15 121.940 . . . . . . . . 171 LYS N . 51976 1 740 . 1 . 1 172 172 GLY H H 1 8.514 . . . . . . . . 172 GLY HN . 51976 1 741 . 1 . 1 172 172 GLY C C 13 174.491 . . . . . . . . 172 GLY C . 51976 1 742 . 1 . 1 172 172 GLY CA C 13 45.363 . . . . . . . . 172 GLY CA . 51976 1 743 . 1 . 1 172 172 GLY N N 15 109.516 . . . . . . . . 172 GLY N . 51976 1 744 . 1 . 1 173 173 SER H H 1 8.268 . . . . . . . . 173 SER HN . 51976 1 745 . 1 . 1 173 173 SER C C 13 174.958 . . . . . . . . 173 SER C . 51976 1 746 . 1 . 1 173 173 SER CA C 13 58.680 . . . . . . . . 173 SER CA . 51976 1 747 . 1 . 1 173 173 SER CB C 13 63.670 . . . . . . . . 173 SER CB . 51976 1 748 . 1 . 1 173 173 SER N N 15 115.893 . . . . . . . . 173 SER N . 51976 1 749 . 1 . 1 174 174 MET H H 1 8.468 . . . . . . . . 174 MET HN . 51976 1 750 . 1 . 1 174 174 MET C C 13 176.263 . . . . . . . . 174 MET C . 51976 1 751 . 1 . 1 174 174 MET CA C 13 55.671 . . . . . . . . 174 MET CA . 51976 1 752 . 1 . 1 174 174 MET CB C 13 32.568 . . . . . . . . 174 MET CB . 51976 1 753 . 1 . 1 174 174 MET N N 15 122.272 . . . . . . . . 174 MET N . 51976 1 754 . 1 . 1 175 175 ALA H H 1 8.313 . . . . . . . . 175 ALA HN . 51976 1 755 . 1 . 1 175 175 ALA C C 13 177.963 . . . . . . . . 175 ALA C . 51976 1 756 . 1 . 1 175 175 ALA CA C 13 52.843 . . . . . . . . 175 ALA CA . 51976 1 757 . 1 . 1 175 175 ALA CB C 13 18.990 . . . . . . . . 175 ALA CB . 51976 1 758 . 1 . 1 175 175 ALA N N 15 124.905 . . . . . . . . 175 ALA N . 51976 1 759 . 1 . 1 176 176 MET H H 1 8.381 . . . . . . . . 176 MET HN . 51976 1 760 . 1 . 1 176 176 MET C C 13 176.678 . . . . . . . . 176 MET C . 51976 1 761 . 1 . 1 176 176 MET CA C 13 55.606 . . . . . . . . 176 MET CA . 51976 1 762 . 1 . 1 176 176 MET CB C 13 32.805 . . . . . . . . 176 MET CB . 51976 1 763 . 1 . 1 176 176 MET N N 15 119.738 . . . . . . . . 176 MET N . 51976 1 764 . 1 . 1 177 177 GLU H H 1 8.519 . . . . . . . . 177 GLU HN . 51976 1 765 . 1 . 1 177 177 GLU C C 13 176.810 . . . . . . . . 177 GLU C . 51976 1 766 . 1 . 1 177 177 GLU CA C 13 56.870 . . . . . . . . 177 GLU CA . 51976 1 767 . 1 . 1 177 177 GLU CB C 13 30.220 . . . . . . . . 177 GLU CB . 51976 1 768 . 1 . 1 177 177 GLU N N 15 122.329 . . . . . . . . 177 GLU N . 51976 1 769 . 1 . 1 178 178 SER H H 1 8.438 . . . . . . . . 178 SER HN . 51976 1 770 . 1 . 1 178 178 SER C C 13 174.421 . . . . . . . . 178 SER C . 51976 1 771 . 1 . 1 178 178 SER CA C 13 58.528 . . . . . . . . 178 SER CA . 51976 1 772 . 1 . 1 178 178 SER CB C 13 63.670 . . . . . . . . 178 SER CB . 51976 1 773 . 1 . 1 178 178 SER N N 15 117.112 . . . . . . . . 178 SER N . 51976 1 774 . 1 . 1 179 179 ALA H H 1 8.384 . . . . . . . . 179 ALA HN . 51976 1 775 . 1 . 1 179 179 ALA CA C 13 52.723 . . . . . . . . 179 ALA CA . 51976 1 776 . 1 . 1 179 179 ALA CB C 13 19.078 . . . . . . . . 179 ALA CB . 51976 1 777 . 1 . 1 179 179 ALA N N 15 125.963 . . . . . . . . 179 ALA N . 51976 1 778 . 1 . 1 180 180 LYS H H 1 8.298 . . . . . . . . 180 LYS HN . 51976 1 779 . 1 . 1 180 180 LYS C C 13 176.668 . . . . . . . . 180 LYS C . 51976 1 780 . 1 . 1 180 180 LYS CA C 13 56.500 . . . . . . . . 180 LYS CA . 51976 1 781 . 1 . 1 180 180 LYS CB C 13 33.106 . . . . . . . . 180 LYS CB . 51976 1 782 . 1 . 1 180 180 LYS N N 15 120.659 . . . . . . . . 180 LYS N . 51976 1 783 . 1 . 1 181 181 GLU H H 1 8.473 . . . . . . . . 181 GLU HN . 51976 1 784 . 1 . 1 181 181 GLU C C 13 176.450 . . . . . . . . 181 GLU C . 51976 1 785 . 1 . 1 181 181 GLU CA C 13 56.530 . . . . . . . . 181 GLU CA . 51976 1 786 . 1 . 1 181 181 GLU CB C 13 30.350 . . . . . . . . 181 GLU CB . 51976 1 787 . 1 . 1 181 181 GLU N N 15 122.002 . . . . . . . . 181 GLU N . 51976 1 788 . 1 . 1 182 182 THR H H 1 8.306 . . . . . . . . 182 THR HN . 51976 1 789 . 1 . 1 182 182 THR C C 13 174.055 . . . . . . . . 182 THR C . 51976 1 790 . 1 . 1 182 182 THR CA C 13 61.992 . . . . . . . . 182 THR CA . 51976 1 791 . 1 . 1 182 182 THR CB C 13 69.782 . . . . . . . . 182 THR CB . 51976 1 792 . 1 . 1 182 182 THR N N 15 116.923 . . . . . . . . 182 THR N . 51976 1 793 . 1 . 1 183 183 ARG H H 1 8.439 . . . . . . . . 183 ARG HN . 51976 1 794 . 1 . 1 183 183 ARG C C 13 174.864 . . . . . . . . 183 ARG C . 51976 1 795 . 1 . 1 183 183 ARG CA C 13 55.834 . . . . . . . . 183 ARG CA . 51976 1 796 . 1 . 1 183 183 ARG CB C 13 30.931 . . . . . . . . 183 ARG CB . 51976 1 797 . 1 . 1 183 183 ARG N N 15 124.587 . . . . . . . . 183 ARG N . 51976 1 798 . 1 . 1 184 184 TYR H H 1 7.865 . . . . . . . . 184 TYR HN . 51976 1 799 . 1 . 1 184 184 TYR CA C 13 59.100 . . . . . . . . 184 TYR CA . 51976 1 800 . 1 . 1 184 184 TYR CB C 13 39.400 . . . . . . . . 184 TYR CB . 51976 1 801 . 1 . 1 184 184 TYR N N 15 126.257 . . . . . . . . 184 TYR N . 51976 1 stop_ save_