data_52493 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52493 _Entry.Title ; Lip-tagged LRP6 1539-1613 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-06-04 _Entry.Accession_date 2024-06-04 _Entry.Last_release_date 2024-06-19 _Entry.Original_release_date 2024-06-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Human LRP6 1539-1613 (L2), backbone resonance assignments at 293K' _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 Trevor Rutherford . J. . 0000-0001-7294-1668 52493 2 Tie-Mei Li . . . . 52493 3 Elsa Franco-Echevarria . . . 0000-0001-7306-6594 52493 4 Melissa Gammons . V. . 0000-0001-9661-9331 52493 5 Mariann Bienz . . . 0000-0002-7170-8706 52493 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Bienz group; MRC Laboratory of Molecular Biology' . 52493 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52493 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 207 52493 '15N chemical shifts' 67 52493 '1H chemical shifts' 118 52493 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 . . 2025-09-16 . original BMRB . 52493 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52482 'Axin1 308-426' 52493 BMRB 52483 'Lip-tagged LRP6 1463-1538 (Y1517, Y1520, Y1522, F1525) > A quadruple mutant' 52493 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52493 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 40399324 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Wnt signalosome assembly is governed by conformational flexibility of Axin and by the AP2 clathrin adaptor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 16 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 4718 _Citation.Page_last 4718 _Citation.Year 2025 _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 Melissa Gammons . V. . . 52493 1 2 Elsa Franco-Echevarria . . . . 52493 1 3 Tie-Mei Li . . . . 52493 1 4 Trevor Rutherford . J. . . 52493 1 5 Miha Renko . . . . 52493 1 6 Christopher Batters . . . . 52493 1 7 Mariann Bienz . . . . 52493 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'GSK3 inhibition, LRP6 co-receptor, Axin scaffold protein AP2-mu cargo adaptor, clathrin-coated structures Wnt signalosome' 52493 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52493 _Assembly.ID 1 _Assembly.Name Lip-L2 _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 19691 _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 Lip-L2 1 $entity_1 . . yes native no no . . . 52493 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52493 _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 ; MHHHHHSGAFEFKLPDIGEG IHEGEIVKWFVKPDGEVNED DVLCEVQNDKAVVEIPSPVK GKVLEILVPEGTVATVGQTL ITLDAPGYENMTTGSDTGEN LYFQSDYAPSRRMTSVATAK GYTSDLNYDSEPVPPPPTPR SQYLSAEENYESCPPSPYTE RSYSHHLYPPPPSPCTDSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '1539-1613, with 104 residue N-terminal Lipoyl solubility tag' _Entity.Polymer_author_seq_details 'WT sequence LRP6 1539-1613' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 179 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment Lip-L2 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19691 _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 O75581 . LRP6_HUMAN . . . . . . . . . . . . . . 52493 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 . 52493 1 2 . HIS . 52493 1 3 . HIS . 52493 1 4 . HIS . 52493 1 5 . HIS . 52493 1 6 . HIS . 52493 1 7 . SER . 52493 1 8 . GLY . 52493 1 9 . ALA . 52493 1 10 . PHE . 52493 1 11 . GLU . 52493 1 12 . PHE . 52493 1 13 . LYS . 52493 1 14 . LEU . 52493 1 15 . PRO . 52493 1 16 . ASP . 52493 1 17 . ILE . 52493 1 18 . GLY . 52493 1 19 . GLU . 52493 1 20 . GLY . 52493 1 21 . ILE . 52493 1 22 . HIS . 52493 1 23 . GLU . 52493 1 24 . GLY . 52493 1 25 . GLU . 52493 1 26 . ILE . 52493 1 27 . VAL . 52493 1 28 . LYS . 52493 1 29 . TRP . 52493 1 30 . PHE . 52493 1 31 . VAL . 52493 1 32 . LYS . 52493 1 33 . PRO . 52493 1 34 . ASP . 52493 1 35 . GLY . 52493 1 36 . GLU . 52493 1 37 . VAL . 52493 1 38 . ASN . 52493 1 39 . GLU . 52493 1 40 . ASP . 52493 1 41 . ASP . 52493 1 42 . VAL . 52493 1 43 . LEU . 52493 1 44 . CYS . 52493 1 45 . GLU . 52493 1 46 . VAL . 52493 1 47 . GLN . 52493 1 48 . ASN . 52493 1 49 . ASP . 52493 1 50 . LYS . 52493 1 51 . ALA . 52493 1 52 . VAL . 52493 1 53 . VAL . 52493 1 54 . GLU . 52493 1 55 . ILE . 52493 1 56 . PRO . 52493 1 57 . SER . 52493 1 58 . PRO . 52493 1 59 . VAL . 52493 1 60 . LYS . 52493 1 61 . GLY . 52493 1 62 . LYS . 52493 1 63 . VAL . 52493 1 64 . LEU . 52493 1 65 . GLU . 52493 1 66 . ILE . 52493 1 67 . LEU . 52493 1 68 . VAL . 52493 1 69 . PRO . 52493 1 70 . GLU . 52493 1 71 . GLY . 52493 1 72 . THR . 52493 1 73 . VAL . 52493 1 74 . ALA . 52493 1 75 . THR . 52493 1 76 . VAL . 52493 1 77 . GLY . 52493 1 78 . GLN . 52493 1 79 . THR . 52493 1 80 . LEU . 52493 1 81 . ILE . 52493 1 82 . THR . 52493 1 83 . LEU . 52493 1 84 . ASP . 52493 1 85 . ALA . 52493 1 86 . PRO . 52493 1 87 . GLY . 52493 1 88 . TYR . 52493 1 89 . GLU . 52493 1 90 . ASN . 52493 1 91 . MET . 52493 1 92 . THR . 52493 1 93 . THR . 52493 1 94 . GLY . 52493 1 95 . SER . 52493 1 96 . ASP . 52493 1 97 . THR . 52493 1 98 . GLY . 52493 1 99 . GLU . 52493 1 100 . ASN . 52493 1 101 . LEU . 52493 1 102 . TYR . 52493 1 103 . PHE . 52493 1 104 . GLN . 52493 1 105 1539 SER . 52493 1 106 1540 ASP . 52493 1 107 1541 TYR . 52493 1 108 1542 ALA . 52493 1 109 1543 PRO . 52493 1 110 1544 SER . 52493 1 111 1545 ARG . 52493 1 112 1546 ARG . 52493 1 113 1547 MET . 52493 1 114 1548 THR . 52493 1 115 1549 SER . 52493 1 116 1550 VAL . 52493 1 117 1551 ALA . 52493 1 118 1552 THR . 52493 1 119 1553 ALA . 52493 1 120 1554 LYS . 52493 1 121 1555 GLY . 52493 1 122 1556 TYR . 52493 1 123 1557 THR . 52493 1 124 1558 SER . 52493 1 125 1559 ASP . 52493 1 126 1560 LEU . 52493 1 127 1561 ASN . 52493 1 128 1562 TYR . 52493 1 129 1563 ASP . 52493 1 130 1564 SER . 52493 1 131 1565 GLU . 52493 1 132 1566 PRO . 52493 1 133 1567 VAL . 52493 1 134 1568 PRO . 52493 1 135 1569 PRO . 52493 1 136 1570 PRO . 52493 1 137 1571 PRO . 52493 1 138 1572 THR . 52493 1 139 1573 PRO . 52493 1 140 1574 ARG . 52493 1 141 1575 SER . 52493 1 142 1576 GLN . 52493 1 143 1577 TYR . 52493 1 144 1578 LEU . 52493 1 145 1579 SER . 52493 1 146 1580 ALA . 52493 1 147 1581 GLU . 52493 1 148 1582 GLU . 52493 1 149 1583 ASN . 52493 1 150 1584 TYR . 52493 1 151 1585 GLU . 52493 1 152 1586 SER . 52493 1 153 1587 CYS . 52493 1 154 1588 PRO . 52493 1 155 1589 PRO . 52493 1 156 1590 SER . 52493 1 157 1591 PRO . 52493 1 158 1592 TYR . 52493 1 159 1593 THR . 52493 1 160 1594 GLU . 52493 1 161 1595 ARG . 52493 1 162 1596 SER . 52493 1 163 1597 TYR . 52493 1 164 1598 SER . 52493 1 165 1599 HIS . 52493 1 166 1600 HIS . 52493 1 167 1601 LEU . 52493 1 168 1602 TYR . 52493 1 169 1603 PRO . 52493 1 170 1604 PRO . 52493 1 171 1605 PRO . 52493 1 172 1606 PRO . 52493 1 173 1607 SER . 52493 1 174 1608 PRO . 52493 1 175 1609 CYS . 52493 1 176 1610 THR . 52493 1 177 1611 ASP . 52493 1 178 1612 SER . 52493 1 179 1613 SER . 52493 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 52493 1 . HIS 2 2 52493 1 . HIS 3 3 52493 1 . HIS 4 4 52493 1 . HIS 5 5 52493 1 . HIS 6 6 52493 1 . SER 7 7 52493 1 . GLY 8 8 52493 1 . ALA 9 9 52493 1 . PHE 10 10 52493 1 . GLU 11 11 52493 1 . PHE 12 12 52493 1 . LYS 13 13 52493 1 . LEU 14 14 52493 1 . PRO 15 15 52493 1 . ASP 16 16 52493 1 . ILE 17 17 52493 1 . GLY 18 18 52493 1 . GLU 19 19 52493 1 . GLY 20 20 52493 1 . ILE 21 21 52493 1 . HIS 22 22 52493 1 . GLU 23 23 52493 1 . GLY 24 24 52493 1 . GLU 25 25 52493 1 . ILE 26 26 52493 1 . VAL 27 27 52493 1 . LYS 28 28 52493 1 . TRP 29 29 52493 1 . PHE 30 30 52493 1 . VAL 31 31 52493 1 . LYS 32 32 52493 1 . PRO 33 33 52493 1 . ASP 34 34 52493 1 . GLY 35 35 52493 1 . GLU 36 36 52493 1 . VAL 37 37 52493 1 . ASN 38 38 52493 1 . GLU 39 39 52493 1 . ASP 40 40 52493 1 . ASP 41 41 52493 1 . VAL 42 42 52493 1 . LEU 43 43 52493 1 . CYS 44 44 52493 1 . GLU 45 45 52493 1 . VAL 46 46 52493 1 . GLN 47 47 52493 1 . ASN 48 48 52493 1 . ASP 49 49 52493 1 . LYS 50 50 52493 1 . ALA 51 51 52493 1 . VAL 52 52 52493 1 . VAL 53 53 52493 1 . GLU 54 54 52493 1 . ILE 55 55 52493 1 . PRO 56 56 52493 1 . SER 57 57 52493 1 . PRO 58 58 52493 1 . VAL 59 59 52493 1 . LYS 60 60 52493 1 . GLY 61 61 52493 1 . LYS 62 62 52493 1 . VAL 63 63 52493 1 . LEU 64 64 52493 1 . GLU 65 65 52493 1 . ILE 66 66 52493 1 . LEU 67 67 52493 1 . VAL 68 68 52493 1 . PRO 69 69 52493 1 . GLU 70 70 52493 1 . GLY 71 71 52493 1 . THR 72 72 52493 1 . VAL 73 73 52493 1 . ALA 74 74 52493 1 . THR 75 75 52493 1 . VAL 76 76 52493 1 . GLY 77 77 52493 1 . GLN 78 78 52493 1 . THR 79 79 52493 1 . LEU 80 80 52493 1 . ILE 81 81 52493 1 . THR 82 82 52493 1 . LEU 83 83 52493 1 . ASP 84 84 52493 1 . ALA 85 85 52493 1 . PRO 86 86 52493 1 . GLY 87 87 52493 1 . TYR 88 88 52493 1 . GLU 89 89 52493 1 . ASN 90 90 52493 1 . MET 91 91 52493 1 . THR 92 92 52493 1 . THR 93 93 52493 1 . GLY 94 94 52493 1 . SER 95 95 52493 1 . ASP 96 96 52493 1 . THR 97 97 52493 1 . GLY 98 98 52493 1 . GLU 99 99 52493 1 . ASN 100 100 52493 1 . LEU 101 101 52493 1 . TYR 102 102 52493 1 . PHE 103 103 52493 1 . GLN 104 104 52493 1 . SER 105 105 52493 1 . ASP 106 106 52493 1 . TYR 107 107 52493 1 . ALA 108 108 52493 1 . PRO 109 109 52493 1 . SER 110 110 52493 1 . ARG 111 111 52493 1 . ARG 112 112 52493 1 . MET 113 113 52493 1 . THR 114 114 52493 1 . SER 115 115 52493 1 . VAL 116 116 52493 1 . ALA 117 117 52493 1 . THR 118 118 52493 1 . ALA 119 119 52493 1 . LYS 120 120 52493 1 . GLY 121 121 52493 1 . TYR 122 122 52493 1 . THR 123 123 52493 1 . SER 124 124 52493 1 . ASP 125 125 52493 1 . LEU 126 126 52493 1 . ASN 127 127 52493 1 . TYR 128 128 52493 1 . ASP 129 129 52493 1 . SER 130 130 52493 1 . GLU 131 131 52493 1 . PRO 132 132 52493 1 . VAL 133 133 52493 1 . PRO 134 134 52493 1 . PRO 135 135 52493 1 . PRO 136 136 52493 1 . PRO 137 137 52493 1 . THR 138 138 52493 1 . PRO 139 139 52493 1 . ARG 140 140 52493 1 . SER 141 141 52493 1 . GLN 142 142 52493 1 . TYR 143 143 52493 1 . LEU 144 144 52493 1 . SER 145 145 52493 1 . ALA 146 146 52493 1 . GLU 147 147 52493 1 . GLU 148 148 52493 1 . ASN 149 149 52493 1 . TYR 150 150 52493 1 . GLU 151 151 52493 1 . SER 152 152 52493 1 . CYS 153 153 52493 1 . PRO 154 154 52493 1 . PRO 155 155 52493 1 . SER 156 156 52493 1 . PRO 157 157 52493 1 . TYR 158 158 52493 1 . THR 159 159 52493 1 . GLU 160 160 52493 1 . ARG 161 161 52493 1 . SER 162 162 52493 1 . TYR 163 163 52493 1 . SER 164 164 52493 1 . HIS 165 165 52493 1 . HIS 166 166 52493 1 . LEU 167 167 52493 1 . TYR 168 168 52493 1 . PRO 169 169 52493 1 . PRO 170 170 52493 1 . PRO 171 171 52493 1 . PRO 172 172 52493 1 . SER 173 173 52493 1 . PRO 174 174 52493 1 . CYS 175 175 52493 1 . THR 176 176 52493 1 . ASP 177 177 52493 1 . SER 178 178 52493 1 . SER 179 179 52493 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 52493 _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 . . . . . . . . . . . . . 52493 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 52493 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21-CodonPlus(DE3)-RIL . . plasmid . . pETM41 . . . 52493 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52493 _Sample.ID 1 _Sample.Name '13C 15N sample1' _Sample.Type solution _Sample.Sub_type . _Sample.Details '300uM protein, 25mM phosphate pH 6.7, 150mM sodium chloride' _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 Lip-LRP6-L1(YYYF>AAAA) '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 300 . . uM . . . . 52493 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 52493 1 3 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 52493 1 4 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 52493 1 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52493 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 52493 _Sample.ID 2 _Sample.Name '13C 15N sample2' _Sample.Type solution _Sample.Sub_type . _Sample.Details '300uM protein, 25mM phosphate pH 6.7, 150mM sodium chloride' _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 Lip-LRP6-L1(YYYF>AAAA) '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 300 . . uM . . . . 52493 2 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 52493 2 3 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 52493 2 4 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 52493 2 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 52493 2 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 52493 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'standard conditions' _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' 210 . mM 52493 1 pH 6.7 . pH 52493 1 pressure 1 . atm 52493 1 temperature 293 . K 52493 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52493 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52493 1 processing . 52493 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52493 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 52493 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52493 _Software.ID 3 _Software.Type . _Software.Name MARS _Software.Version 1.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52493 3 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 52493 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVANCE II+ 700' _NMR_spectrometer.Details 'TCI cryoprobe, 5mm, inverse' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II+' _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 52493 _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 no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52493 1 2 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52493 1 3 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52493 1 4 '3D CBCACONH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52493 1 5 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52493 1 6 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52493 1 7 (H)CBCACON no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52493 1 8 (H)CBCANCO no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52493 1 9 H(CA)NCO no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52493 1 10 H(CACO)NCO no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52493 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 52493 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'backbone resonance assignments' _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 4.82 internal indirect 0.251449530 . . . . . 52493 1 H 1 water protons . . . . ppm 4.82 internal direct 1 . . . . . 52493 1 N 15 water protons . . . . ppm 4.82 internal indirect 0.101329118 . . . . . 52493 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 52493 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'backbone resonance assignments' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.25 _Assigned_chem_shift_list.Chem_shift_15N_err 0.03 _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' . . . 52493 1 2 '3D HNCA' . . . 52493 1 3 '3D HNCACB' . . . 52493 1 6 '3D HN(CA)CO' . . . 52493 1 7 (H)CBCACON . . . 52493 1 9 H(CA)NCO . . . 52493 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52493 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 . 1 105 105 SER H H 1 8.31 0.01 . 1 . . . . . 1539 SER H . 52493 1 2 . 1 . 1 105 105 SER HA H 1 4.25 0.02 . 1 . . . . . 1539 SER HA . 52493 1 3 . 1 . 1 105 105 SER C C 13 174.37 0.04 . 1 . . . . . 1539 SER C . 52493 1 4 . 1 . 1 105 105 SER CA C 13 58.91 0.10 . 1 . . . . . 1539 SER CA . 52493 1 5 . 1 . 1 105 105 SER CB C 13 64.08 0.25 . 1 . . . . . 1539 SER CB . 52493 1 6 . 1 . 1 105 105 SER N N 15 116.00 0.03 . 1 . . . . . 1539 SER N . 52493 1 7 . 1 . 1 106 106 ASP H H 1 8.38 0.01 . 1 . . . . . 1540 ASP H . 52493 1 8 . 1 . 1 106 106 ASP HA H 1 4.46 0.02 . 1 . . . . . 1540 ASP HA . 52493 1 9 . 1 . 1 106 106 ASP C C 13 175.80 0.04 . 1 . . . . . 1540 ASP C . 52493 1 10 . 1 . 1 106 106 ASP CA C 13 54.65 0.10 . 1 . . . . . 1540 ASP CA . 52493 1 11 . 1 . 1 106 106 ASP CB C 13 41.16 0.25 . 1 . . . . . 1540 ASP CB . 52493 1 12 . 1 . 1 106 106 ASP N N 15 120.61 0.03 . 1 . . . . . 1540 ASP N . 52493 1 13 . 1 . 1 107 107 TYR H H 1 8.00 0.01 . 1 . . . . . 1541 TYR H . 52493 1 14 . 1 . 1 107 107 TYR HA H 1 4.39 0.02 . 1 . . . . . 1541 TYR HA . 52493 1 15 . 1 . 1 107 107 TYR C C 13 175.12 0.04 . 1 . . . . . 1541 TYR C . 52493 1 16 . 1 . 1 107 107 TYR CA C 13 57.99 0.10 . 1 . . . . . 1541 TYR CA . 52493 1 17 . 1 . 1 107 107 TYR CB C 13 39.01 0.25 . 1 . . . . . 1541 TYR CB . 52493 1 18 . 1 . 1 107 107 TYR N N 15 118.88 0.03 . 1 . . . . . 1541 TYR N . 52493 1 19 . 1 . 1 108 108 ALA H H 1 8.03 0.01 . 1 . . . . . 1542 ALA H . 52493 1 20 . 1 . 1 108 108 ALA HA H 1 4.41 0.02 . 1 . . . . . 1542 ALA HA . 52493 1 21 . 1 . 1 108 108 ALA C C 13 175.20 0.04 . 1 . . . . . 1542 ALA C . 52493 1 22 . 1 . 1 108 108 ALA CA C 13 50.80 0.10 . 1 . . . . . 1542 ALA CA . 52493 1 23 . 1 . 1 108 108 ALA CB C 13 18.71 0.25 . 1 . . . . . 1542 ALA CB . 52493 1 24 . 1 . 1 108 108 ALA N N 15 126.13 0.03 . 1 . . . . . 1542 ALA N . 52493 1 25 . 1 . 1 109 109 PRO HA H 1 4.26 0.02 . 1 . . . . . 1543 PRO HA . 52493 1 26 . 1 . 1 109 109 PRO C C 13 177.28 0.04 . 1 . . . . . 1543 PRO C . 52493 1 27 . 1 . 1 109 109 PRO CA C 13 63.73 0.10 . 1 . . . . . 1543 PRO CA . 52493 1 28 . 1 . 1 109 109 PRO CB C 13 32.25 0.25 . 1 . . . . . 1543 PRO CB . 52493 1 29 . 1 . 1 109 109 PRO N N 15 134.34 0.27 . 1 . . . . . 1543 PRO N . 52493 1 30 . 1 . 1 110 110 SER H H 1 8.27 0.01 . 1 . . . . . 1544 SER H . 52493 1 31 . 1 . 1 110 110 SER HA H 1 4.28 0.02 . 1 . . . . . 1544 SER HA . 52493 1 32 . 1 . 1 110 110 SER C C 13 174.91 0.04 . 1 . . . . . 1544 SER C . 52493 1 33 . 1 . 1 110 110 SER CA C 13 58.81 0.10 . 1 . . . . . 1544 SER CA . 52493 1 34 . 1 . 1 110 110 SER CB C 13 63.87 0.25 . 1 . . . . . 1544 SER CB . 52493 1 35 . 1 . 1 110 110 SER N N 15 113.66 0.03 . 1 . . . . . 1544 SER N . 52493 1 36 . 1 . 1 111 111 ARG H H 1 8.27 0.01 . 1 . . . . . 1545 ARG H . 52493 1 37 . 1 . 1 111 111 ARG C C 13 176.28 0.04 . 1 . . . . . 1545 ARG C . 52493 1 38 . 1 . 1 111 111 ARG CA C 13 56.37 0.10 . 1 . . . . . 1545 ARG CA . 52493 1 39 . 1 . 1 111 111 ARG CB C 13 31.03 0.25 . 1 . . . . . 1545 ARG CB . 52493 1 40 . 1 . 1 111 111 ARG N N 15 121.65 0.03 . 1 . . . . . 1545 ARG N . 52493 1 41 . 1 . 1 112 112 ARG H H 1 8.29 0.01 . 1 . . . . . 1546 ARG H . 52493 1 42 . 1 . 1 112 112 ARG C C 13 176.44 0.04 . 1 . . . . . 1546 ARG C . 52493 1 43 . 1 . 1 112 112 ARG CA C 13 56.51 0.10 . 1 . . . . . 1546 ARG CA . 52493 1 44 . 1 . 1 112 112 ARG CB C 13 30.99 0.25 . 1 . . . . . 1546 ARG CB . 52493 1 45 . 1 . 1 112 112 ARG N N 15 120.80 0.03 . 1 . . . . . 1546 ARG N . 52493 1 46 . 1 . 1 113 113 MET H H 1 8.46 0.01 . 1 . . . . . 1547 MET H . 52493 1 47 . 1 . 1 113 113 MET HA H 1 4.48 0.02 . 1 . . . . . 1547 MET HA . 52493 1 48 . 1 . 1 113 113 MET C C 13 176.49 0.04 . 1 . . . . . 1547 MET C . 52493 1 49 . 1 . 1 113 113 MET CA C 13 55.71 0.10 . 1 . . . . . 1547 MET CA . 52493 1 50 . 1 . 1 113 113 MET CB C 13 33.19 0.25 . 1 . . . . . 1547 MET CB . 52493 1 51 . 1 . 1 113 113 MET N N 15 120.78 0.03 . 1 . . . . . 1547 MET N . 52493 1 52 . 1 . 1 114 114 THR H H 1 8.18 0.01 . 1 . . . . . 1548 THR H . 52493 1 53 . 1 . 1 114 114 THR HA H 1 4.29 0.02 . 1 . . . . . 1548 THR HA . 52493 1 54 . 1 . 1 114 114 THR C C 13 174.52 0.04 . 1 . . . . . 1548 THR C . 52493 1 55 . 1 . 1 114 114 THR CA C 13 62.07 0.10 . 1 . . . . . 1548 THR CA . 52493 1 56 . 1 . 1 114 114 THR CB C 13 70.14 0.25 . 1 . . . . . 1548 THR CB . 52493 1 57 . 1 . 1 114 114 THR N N 15 114.11 0.03 . 1 . . . . . 1548 THR N . 52493 1 58 . 1 . 1 115 115 SER H H 1 8.36 0.01 . 1 . . . . . 1549 SER H . 52493 1 59 . 1 . 1 115 115 SER HA H 1 4.42 0.02 . 1 . . . . . 1549 SER HA . 52493 1 60 . 1 . 1 115 115 SER C C 13 174.58 0.04 . 1 . . . . . 1549 SER C . 52493 1 61 . 1 . 1 115 115 SER CA C 13 58.47 0.10 . 1 . . . . . 1549 SER CA . 52493 1 62 . 1 . 1 115 115 SER CB C 13 64.15 0.25 . 1 . . . . . 1549 SER CB . 52493 1 63 . 1 . 1 115 115 SER N N 15 117.15 0.03 . 1 . . . . . 1549 SER N . 52493 1 64 . 1 . 1 116 116 VAL H H 1 8.17 0.01 . 1 . . . . . 1550 VAL H . 52493 1 65 . 1 . 1 116 116 VAL HA H 1 4.04 0.02 . 1 . . . . . 1550 VAL HA . 52493 1 66 . 1 . 1 116 116 VAL C C 13 176.12 0.04 . 1 . . . . . 1550 VAL C . 52493 1 67 . 1 . 1 116 116 VAL CA C 13 62.62 0.10 . 1 . . . . . 1550 VAL CA . 52493 1 68 . 1 . 1 116 116 VAL CB C 13 32.98 0.25 . 1 . . . . . 1550 VAL CB . 52493 1 69 . 1 . 1 116 116 VAL N N 15 120.54 0.03 . 1 . . . . . 1550 VAL N . 52493 1 70 . 1 . 1 117 117 ALA H H 1 8.37 0.01 . 1 . . . . . 1551 ALA H . 52493 1 71 . 1 . 1 117 117 ALA HA H 1 4.23 0.02 . 1 . . . . . 1551 ALA HA . 52493 1 72 . 1 . 1 117 117 ALA C C 13 178.10 0.04 . 1 . . . . . 1551 ALA C . 52493 1 73 . 1 . 1 117 117 ALA CA C 13 52.99 0.10 . 1 . . . . . 1551 ALA CA . 52493 1 74 . 1 . 1 117 117 ALA CB C 13 19.43 0.25 . 1 . . . . . 1551 ALA CB . 52493 1 75 . 1 . 1 117 117 ALA N N 15 126.11 0.03 . 1 . . . . . 1551 ALA N . 52493 1 76 . 1 . 1 118 118 THR H H 1 8.04 0.01 . 1 . . . . . 1552 THR H . 52493 1 77 . 1 . 1 118 118 THR HA H 1 4.18 0.02 . 1 . . . . . 1552 THR HA . 52493 1 78 . 1 . 1 118 118 THR C C 13 174.59 0.04 . 1 . . . . . 1552 THR C . 52493 1 79 . 1 . 1 118 118 THR CA C 13 62.05 0.10 . 1 . . . . . 1552 THR CA . 52493 1 80 . 1 . 1 118 118 THR CB C 13 70.14 0.25 . 1 . . . . . 1552 THR CB . 52493 1 81 . 1 . 1 118 118 THR N N 15 112.08 0.03 . 1 . . . . . 1552 THR N . 52493 1 82 . 1 . 1 119 119 ALA H H 1 8.27 0.01 . 1 . . . . . 1553 ALA H . 52493 1 83 . 1 . 1 119 119 ALA HA H 1 4.21 0.02 . 1 . . . . . 1553 ALA HA . 52493 1 84 . 1 . 1 119 119 ALA C C 13 177.87 0.04 . 1 . . . . . 1553 ALA C . 52493 1 85 . 1 . 1 119 119 ALA CA C 13 52.89 0.10 . 1 . . . . . 1553 ALA CA . 52493 1 86 . 1 . 1 119 119 ALA CB C 13 19.39 0.25 . 1 . . . . . 1553 ALA CB . 52493 1 87 . 1 . 1 119 119 ALA N N 15 125.30 0.03 . 1 . . . . . 1553 ALA N . 52493 1 88 . 1 . 1 120 120 LYS H H 1 8.29 0.01 . 1 . . . . . 1554 LYS H . 52493 1 89 . 1 . 1 120 120 LYS HA H 1 4.17 0.02 . 1 . . . . . 1554 LYS HA . 52493 1 90 . 1 . 1 120 120 LYS C C 13 177.15 0.04 . 1 . . . . . 1554 LYS C . 52493 1 91 . 1 . 1 120 120 LYS CA C 13 56.75 0.10 . 1 . . . . . 1554 LYS CA . 52493 1 92 . 1 . 1 120 120 LYS CB C 13 33.21 0.25 . 1 . . . . . 1554 LYS CB . 52493 1 93 . 1 . 1 120 120 LYS N N 15 119.40 0.03 . 1 . . . . . 1554 LYS N . 52493 1 94 . 1 . 1 121 121 GLY H H 1 8.32 0.01 . 1 . . . . . 1555 GLY H . 52493 1 95 . 1 . 1 121 121 GLY HA2 H 1 3.81 0.02 . 1 . . . . . 1555 GLY HA2 . 52493 1 96 . 1 . 1 121 121 GLY HA3 H 1 3.81 0.02 . 1 . . . . . 1555 GLY HA3 . 52493 1 97 . 1 . 1 121 121 GLY C C 13 173.82 0.04 . 1 . . . . . 1555 GLY C . 52493 1 98 . 1 . 1 121 121 GLY CA C 13 45.34 0.10 . 1 . . . . . 1555 GLY CA . 52493 1 99 . 1 . 1 121 121 GLY N N 15 108.60 0.03 . 1 . . . . . 1555 GLY N . 52493 1 100 . 1 . 1 122 122 TYR H H 1 8.08 0.01 . 1 . . . . . 1556 TYR H . 52493 1 101 . 1 . 1 122 122 TYR HA H 1 4.54 0.02 . 1 . . . . . 1556 TYR HA . 52493 1 102 . 1 . 1 122 122 TYR C C 13 176.12 0.04 . 1 . . . . . 1556 TYR C . 52493 1 103 . 1 . 1 122 122 TYR CA C 13 58.21 0.10 . 1 . . . . . 1556 TYR CA . 52493 1 104 . 1 . 1 122 122 TYR CB C 13 39.20 0.25 . 1 . . . . . 1556 TYR CB . 52493 1 105 . 1 . 1 122 122 TYR N N 15 119.07 0.03 . 1 . . . . . 1556 TYR N . 52493 1 106 . 1 . 1 123 123 THR H H 1 8.07 0.01 . 1 . . . . . 1557 THR H . 52493 1 107 . 1 . 1 123 123 THR HA H 1 4.25 0.02 . 1 . . . . . 1557 THR HA . 52493 1 108 . 1 . 1 123 123 THR C C 13 174.17 0.04 . 1 . . . . . 1557 THR C . 52493 1 109 . 1 . 1 123 123 THR CA C 13 61.65 0.10 . 1 . . . . . 1557 THR CA . 52493 1 110 . 1 . 1 123 123 THR CB C 13 70.25 0.25 . 1 . . . . . 1557 THR CB . 52493 1 111 . 1 . 1 123 123 THR N N 15 115.04 0.03 . 1 . . . . . 1557 THR N . 52493 1 112 . 1 . 1 124 124 SER H H 1 8.27 0.01 . 1 . . . . . 1558 SER H . 52493 1 113 . 1 . 1 124 124 SER HA H 1 4.33 0.02 . 1 . . . . . 1558 SER HA . 52493 1 114 . 1 . 1 124 124 SER C C 13 174.22 0.04 . 1 . . . . . 1558 SER C . 52493 1 115 . 1 . 1 124 124 SER CA C 13 58.61 0.10 . 1 . . . . . 1558 SER CA . 52493 1 116 . 1 . 1 124 124 SER CB C 13 64.10 0.25 . 1 . . . . . 1558 SER CB . 52493 1 117 . 1 . 1 124 124 SER N N 15 116.70 0.03 . 1 . . . . . 1558 SER N . 52493 1 118 . 1 . 1 125 125 ASP H H 1 8.37 0.01 . 1 . . . . . 1559 ASP H . 52493 1 119 . 1 . 1 125 125 ASP HA H 1 4.49 0.02 . 1 . . . . . 1559 ASP HA . 52493 1 120 . 1 . 1 125 125 ASP C C 13 176.16 0.04 . 1 . . . . . 1559 ASP C . 52493 1 121 . 1 . 1 125 125 ASP CA C 13 54.66 0.10 . 1 . . . . . 1559 ASP CA . 52493 1 122 . 1 . 1 125 125 ASP CB C 13 41.25 0.25 . 1 . . . . . 1559 ASP CB . 52493 1 123 . 1 . 1 125 125 ASP N N 15 121.24 0.03 . 1 . . . . . 1559 ASP N . 52493 1 124 . 1 . 1 126 126 LEU H H 1 8.09 0.01 . 1 . . . . . 1560 LEU H . 52493 1 125 . 1 . 1 126 126 LEU HA H 1 4.15 0.02 . 1 . . . . . 1560 LEU HA . 52493 1 126 . 1 . 1 126 126 LEU C C 13 176.89 0.04 . 1 . . . . . 1560 LEU C . 52493 1 127 . 1 . 1 126 126 LEU CA C 13 55.45 0.10 . 1 . . . . . 1560 LEU CA . 52493 1 128 . 1 . 1 126 126 LEU CB C 13 42.42 0.25 . 1 . . . . . 1560 LEU CB . 52493 1 129 . 1 . 1 126 126 LEU N N 15 120.82 0.03 . 1 . . . . . 1560 LEU N . 52493 1 130 . 1 . 1 127 127 ASN H H 1 8.30 0.01 . 1 . . . . . 1561 ASN H . 52493 1 131 . 1 . 1 127 127 ASN HA H 1 4.57 0.02 . 1 . . . . . 1561 ASN HA . 52493 1 132 . 1 . 1 127 127 ASN C C 13 174.98 0.04 . 1 . . . . . 1561 ASN C . 52493 1 133 . 1 . 1 127 127 ASN CA C 13 53.27 0.10 . 1 . . . . . 1561 ASN CA . 52493 1 134 . 1 . 1 127 127 ASN CB C 13 39.27 0.25 . 1 . . . . . 1561 ASN CB . 52493 1 135 . 1 . 1 127 127 ASN N N 15 117.73 0.03 . 1 . . . . . 1561 ASN N . 52493 1 136 . 1 . 1 128 128 TYR H H 1 8.09 0.01 . 1 . . . . . 1562 TYR H . 52493 1 137 . 1 . 1 128 128 TYR HA H 1 4.45 0.02 . 1 . . . . . 1562 TYR HA . 52493 1 138 . 1 . 1 128 128 TYR C C 13 175.64 0.04 . 1 . . . . . 1562 TYR C . 52493 1 139 . 1 . 1 128 128 TYR CA C 13 58.21 0.10 . 1 . . . . . 1562 TYR CA . 52493 1 140 . 1 . 1 128 128 TYR CB C 13 38.91 0.25 . 1 . . . . . 1562 TYR CB . 52493 1 141 . 1 . 1 128 128 TYR N N 15 119.73 0.03 . 1 . . . . . 1562 TYR N . 52493 1 142 . 1 . 1 129 129 ASP H H 1 8.31 0.01 . 1 . . . . . 1563 ASP H . 52493 1 143 . 1 . 1 129 129 ASP HA H 1 4.51 0.02 . 1 . . . . . 1563 ASP HA . 52493 1 144 . 1 . 1 129 129 ASP C C 13 176.04 0.04 . 1 . . . . . 1563 ASP C . 52493 1 145 . 1 . 1 129 129 ASP CA C 13 54.59 0.10 . 1 . . . . . 1563 ASP CA . 52493 1 146 . 1 . 1 129 129 ASP CB C 13 41.39 0.25 . 1 . . . . . 1563 ASP CB . 52493 1 147 . 1 . 1 129 129 ASP N N 15 120.61 0.03 . 1 . . . . . 1563 ASP N . 52493 1 148 . 1 . 1 130 130 SER H H 1 8.07 0.01 . 1 . . . . . 1564 SER H . 52493 1 149 . 1 . 1 130 130 SER HA H 1 4.32 0.02 . 1 . . . . . 1564 SER HA . 52493 1 150 . 1 . 1 130 130 SER C C 13 174.20 0.04 . 1 . . . . . 1564 SER C . 52493 1 151 . 1 . 1 130 130 SER CA C 13 58.46 0.10 . 1 . . . . . 1564 SER CA . 52493 1 152 . 1 . 1 130 130 SER CB C 13 64.17 0.25 . 1 . . . . . 1564 SER CB . 52493 1 153 . 1 . 1 130 130 SER N N 15 114.46 0.03 . 1 . . . . . 1564 SER N . 52493 1 154 . 1 . 1 131 131 GLU H H 1 8.32 0.01 . 1 . . . . . 1565 GLU H . 52493 1 155 . 1 . 1 131 131 GLU HA H 1 4.47 0.02 . 1 . . . . . 1565 GLU HA . 52493 1 156 . 1 . 1 131 131 GLU C C 13 174.49 0.04 . 1 . . . . . 1565 GLU C . 52493 1 157 . 1 . 1 131 131 GLU CA C 13 54.63 0.10 . 1 . . . . . 1565 GLU CA . 52493 1 158 . 1 . 1 131 131 GLU CB C 13 30.07 0.25 . 1 . . . . . 1565 GLU CB . 52493 1 159 . 1 . 1 131 131 GLU N N 15 122.66 0.03 . 1 . . . . . 1565 GLU N . 52493 1 160 . 1 . 1 132 132 PRO HA H 1 4.33 0.02 . 1 . . . . . 1566 PRO HA . 52493 1 161 . 1 . 1 132 132 PRO C C 13 176.75 0.04 . 1 . . . . . 1566 PRO C . 52493 1 162 . 1 . 1 132 132 PRO CA C 13 63.19 0.10 . 1 . . . . . 1566 PRO CA . 52493 1 163 . 1 . 1 132 132 PRO CB C 13 32.27 0.25 . 1 . . . . . 1566 PRO CB . 52493 1 164 . 1 . 1 132 132 PRO N N 15 136.36 0.27 . 1 . . . . . 1566 PRO N . 52493 1 165 . 1 . 1 133 133 VAL H H 1 8.27 0.01 . 1 . . . . . 1567 VAL H . 52493 1 166 . 1 . 1 133 133 VAL HA H 1 4.28 0.02 . 1 . . . . . 1567 VAL HA . 52493 1 167 . 1 . 1 133 133 VAL C C 13 174.36 0.04 . 1 . . . . . 1567 VAL C . 52493 1 168 . 1 . 1 133 133 VAL CA C 13 60.00 0.10 . 1 . . . . . 1567 VAL CA . 52493 1 169 . 1 . 1 133 133 VAL CB C 13 32.86 0.25 . 1 . . . . . 1567 VAL CB . 52493 1 170 . 1 . 1 133 133 VAL N N 15 121.24 0.03 . 1 . . . . . 1567 VAL N . 52493 1 171 . 1 . 1 134 134 PRO HA H 1 4.58 0.02 . 1 . . . . . 1568 PRO HA . 52493 1 172 . 1 . 1 134 134 PRO C C 13 174.30 0.01 . 1 . . . . . 1568 PRO C . 52493 1 173 . 1 . 1 134 134 PRO CA C 13 61.51 0.50 . 1 . . . . . 1568 PRO CA . 52493 1 174 . 1 . 1 134 134 PRO CB C 13 30.97 0.50 . 1 . . . . . 1568 PRO CB . 52493 1 175 . 1 . 1 134 134 PRO N N 15 140.35 0.28 . 1 . . . . . 1568 PRO N . 52493 1 176 . 1 . 1 135 135 PRO HA H 1 4.61 0.02 . 1 . . . . . 1569 PRO HA . 52493 1 177 . 1 . 1 135 135 PRO C C 13 174.43 0.01 . 1 . . . . . 1569 PRO C . 52493 1 178 . 1 . 1 135 135 PRO CA C 13 61.47 0.50 . 1 . . . . . 1569 PRO CA . 52493 1 179 . 1 . 1 135 135 PRO CB C 13 30.85 0.50 . 1 . . . . . 1569 PRO CB . 52493 1 180 . 1 . 1 135 135 PRO N N 15 134.99 0.27 . 1 . . . . . 1569 PRO N . 52493 1 181 . 1 . 1 136 136 PRO HA H 1 4.60 0.02 . 1 . . . . . 1570 PRO HA . 52493 1 182 . 1 . 1 136 136 PRO C C 13 174.92 0.01 . 1 . . . . . 1570 PRO C . 52493 1 183 . 1 . 1 136 136 PRO CA C 13 61.43 0.50 . 1 . . . . . 1570 PRO CA . 52493 1 184 . 1 . 1 136 136 PRO CB C 13 30.97 0.50 . 1 . . . . . 1570 PRO CB . 52493 1 185 . 1 . 1 136 136 PRO N N 15 135.20 0.27 . 1 . . . . . 1570 PRO N . 52493 1 186 . 1 . 1 137 137 PRO HA H 1 4.38 0.02 . 1 . . . . . 1571 PRO HA . 52493 1 187 . 1 . 1 137 137 PRO C C 13 176.92 0.04 . 1 . . . . . 1571 PRO C . 52493 1 188 . 1 . 1 137 137 PRO CA C 13 62.98 0.10 . 1 . . . . . 1571 PRO CA . 52493 1 189 . 1 . 1 137 137 PRO CB C 13 32.23 0.25 . 1 . . . . . 1571 PRO CB . 52493 1 190 . 1 . 1 137 137 PRO N N 15 133.95 0.27 . 1 . . . . . 1571 PRO N . 52493 1 191 . 1 . 1 138 138 THR H H 1 8.29 0.01 . 1 . . . . . 1572 THR H . 52493 1 192 . 1 . 1 138 138 THR HA H 1 4.46 0.02 . 1 . . . . . 1572 THR HA . 52493 1 193 . 1 . 1 138 138 THR C C 13 173.10 0.04 . 1 . . . . . 1572 THR C . 52493 1 194 . 1 . 1 138 138 THR CA C 13 60.14 0.10 . 1 . . . . . 1572 THR CA . 52493 1 195 . 1 . 1 138 138 THR CB C 13 70.07 0.25 . 1 . . . . . 1572 THR CB . 52493 1 196 . 1 . 1 138 138 THR N N 15 116.13 0.03 . 1 . . . . . 1572 THR N . 52493 1 197 . 1 . 1 139 139 PRO HA H 1 4.32 0.02 . 1 . . . . . 1573 PRO HA . 52493 1 198 . 1 . 1 139 139 PRO C C 13 177.08 0.04 . 1 . . . . . 1573 PRO C . 52493 1 199 . 1 . 1 139 139 PRO CA C 13 63.52 0.10 . 1 . . . . . 1573 PRO CA . 52493 1 200 . 1 . 1 139 139 PRO CB C 13 32.44 0.25 . 1 . . . . . 1573 PRO CB . 52493 1 201 . 1 . 1 139 139 PRO N N 15 138.09 0.27 . 1 . . . . . 1573 PRO N . 52493 1 202 . 1 . 1 140 140 ARG H H 1 8.49 0.01 . 1 . . . . . 1574 ARG H . 52493 1 203 . 1 . 1 140 140 ARG HA H 1 4.18 0.02 . 1 . . . . . 1574 ARG HA . 52493 1 204 . 1 . 1 140 140 ARG C C 13 176.71 0.04 . 1 . . . . . 1574 ARG C . 52493 1 205 . 1 . 1 140 140 ARG CA C 13 56.60 0.10 . 1 . . . . . 1574 ARG CA . 52493 1 206 . 1 . 1 140 140 ARG CB C 13 30.96 0.25 . 1 . . . . . 1574 ARG CB . 52493 1 207 . 1 . 1 140 140 ARG N N 15 120.43 0.03 . 1 . . . . . 1574 ARG N . 52493 1 208 . 1 . 1 141 141 SER H H 1 8.35 0.01 . 1 . . . . . 1575 SER H . 52493 1 209 . 1 . 1 141 141 SER HA H 1 4.27 0.02 . 1 . . . . . 1575 SER HA . 52493 1 210 . 1 . 1 141 141 SER C C 13 174.77 0.04 . 1 . . . . . 1575 SER C . 52493 1 211 . 1 . 1 141 141 SER CA C 13 58.81 0.10 . 1 . . . . . 1575 SER CA . 52493 1 212 . 1 . 1 141 141 SER CB C 13 63.96 0.25 . 1 . . . . . 1575 SER CB . 52493 1 213 . 1 . 1 141 141 SER N N 15 115.58 0.03 . 1 . . . . . 1575 SER N . 52493 1 214 . 1 . 1 142 142 GLN H H 1 8.39 0.01 . 1 . . . . . 1576 GLN H . 52493 1 215 . 1 . 1 142 142 GLN HA H 1 4.16 0.02 . 1 . . . . . 1576 GLN HA . 52493 1 216 . 1 . 1 142 142 GLN C C 13 175.62 0.04 . 1 . . . . . 1576 GLN C . 52493 1 217 . 1 . 1 142 142 GLN CA C 13 56.41 0.10 . 1 . . . . . 1576 GLN CA . 52493 1 218 . 1 . 1 142 142 GLN CB C 13 29.61 0.25 . 1 . . . . . 1576 GLN CB . 52493 1 219 . 1 . 1 142 142 GLN N N 15 120.98 0.03 . 1 . . . . . 1576 GLN N . 52493 1 220 . 1 . 1 143 143 TYR H H 1 8.13 0.01 . 1 . . . . . 1577 TYR H . 52493 1 221 . 1 . 1 143 143 TYR HA H 1 4.47 0.02 . 1 . . . . . 1577 TYR HA . 52493 1 222 . 1 . 1 143 143 TYR C C 13 175.64 0.04 . 1 . . . . . 1577 TYR C . 52493 1 223 . 1 . 1 143 143 TYR CA C 13 58.00 0.10 . 1 . . . . . 1577 TYR CA . 52493 1 224 . 1 . 1 143 143 TYR CB C 13 38.87 0.25 . 1 . . . . . 1577 TYR CB . 52493 1 225 . 1 . 1 143 143 TYR N N 15 119.49 0.03 . 1 . . . . . 1577 TYR N . 52493 1 226 . 1 . 1 144 144 LEU H H 1 8.08 0.01 . 1 . . . . . 1578 LEU H . 52493 1 227 . 1 . 1 144 144 LEU HA H 1 4.25 0.02 . 1 . . . . . 1578 LEU HA . 52493 1 228 . 1 . 1 144 144 LEU C C 13 177.11 0.04 . 1 . . . . . 1578 LEU C . 52493 1 229 . 1 . 1 144 144 LEU CA C 13 55.18 0.10 . 1 . . . . . 1578 LEU CA . 52493 1 230 . 1 . 1 144 144 LEU CB C 13 42.77 0.25 . 1 . . . . . 1578 LEU CB . 52493 1 231 . 1 . 1 144 144 LEU N N 15 122.60 0.03 . 1 . . . . . 1578 LEU N . 52493 1 232 . 1 . 1 145 145 SER H H 1 8.26 0.01 . 1 . . . . . 1579 SER H . 52493 1 233 . 1 . 1 145 145 SER HA H 1 4.30 0.02 . 1 . . . . . 1579 SER HA . 52493 1 234 . 1 . 1 145 145 SER C C 13 174.55 0.04 . 1 . . . . . 1579 SER C . 52493 1 235 . 1 . 1 145 145 SER CA C 13 58.40 0.10 . 1 . . . . . 1579 SER CA . 52493 1 236 . 1 . 1 145 145 SER CB C 13 64.15 0.25 . 1 . . . . . 1579 SER CB . 52493 1 237 . 1 . 1 145 145 SER N N 15 115.67 0.03 . 1 . . . . . 1579 SER N . 52493 1 238 . 1 . 1 146 146 ALA H H 1 8.41 0.01 . 1 . . . . . 1580 ALA H . 52493 1 239 . 1 . 1 146 146 ALA HA H 1 4.21 0.02 . 1 . . . . . 1580 ALA HA . 52493 1 240 . 1 . 1 146 146 ALA C C 13 178.06 0.04 . 1 . . . . . 1580 ALA C . 52493 1 241 . 1 . 1 146 146 ALA CA C 13 53.18 0.10 . 1 . . . . . 1580 ALA CA . 52493 1 242 . 1 . 1 146 146 ALA CB C 13 19.34 0.25 . 1 . . . . . 1580 ALA CB . 52493 1 243 . 1 . 1 146 146 ALA N N 15 124.81 0.03 . 1 . . . . . 1580 ALA N . 52493 1 244 . 1 . 1 147 147 GLU H H 1 8.34 0.01 . 1 . . . . . 1581 GLU H . 52493 1 245 . 1 . 1 147 147 GLU HA H 1 4.09 0.02 . 1 . . . . . 1581 GLU HA . 52493 1 246 . 1 . 1 147 147 GLU C C 13 176.75 0.04 . 1 . . . . . 1581 GLU C . 52493 1 247 . 1 . 1 147 147 GLU CA C 13 57.11 0.10 . 1 . . . . . 1581 GLU CA . 52493 1 248 . 1 . 1 147 147 GLU CB C 13 30.33 0.25 . 1 . . . . . 1581 GLU CB . 52493 1 249 . 1 . 1 147 147 GLU N N 15 117.97 0.03 . 1 . . . . . 1581 GLU N . 52493 1 250 . 1 . 1 148 148 GLU H H 1 8.23 0.01 . 1 . . . . . 1582 GLU H . 52493 1 251 . 1 . 1 148 148 GLU HA H 1 4.09 0.02 . 1 . . . . . 1582 GLU HA . 52493 1 252 . 1 . 1 148 148 GLU C C 13 175.94 0.04 . 1 . . . . . 1582 GLU C . 52493 1 253 . 1 . 1 148 148 GLU CA C 13 56.80 0.10 . 1 . . . . . 1582 GLU CA . 52493 1 254 . 1 . 1 148 148 GLU CB C 13 30.47 0.25 . 1 . . . . . 1582 GLU CB . 52493 1 255 . 1 . 1 148 148 GLU N N 15 119.85 0.03 . 1 . . . . . 1582 GLU N . 52493 1 256 . 1 . 1 149 149 ASN H H 1 8.28 0.01 . 1 . . . . . 1583 ASN H . 52493 1 257 . 1 . 1 149 149 ASN HA H 1 4.57 0.02 . 1 . . . . . 1583 ASN HA . 52493 1 258 . 1 . 1 149 149 ASN C C 13 174.91 0.04 . 1 . . . . . 1583 ASN C . 52493 1 259 . 1 . 1 149 149 ASN CA C 13 53.25 0.10 . 1 . . . . . 1583 ASN CA . 52493 1 260 . 1 . 1 149 149 ASN CB C 13 39.38 0.25 . 1 . . . . . 1583 ASN CB . 52493 1 261 . 1 . 1 149 149 ASN N N 15 118.12 0.03 . 1 . . . . . 1583 ASN N . 52493 1 262 . 1 . 1 150 150 TYR H H 1 8.14 0.01 . 1 . . . . . 1584 TYR H . 52493 1 263 . 1 . 1 150 150 TYR HA H 1 4.47 0.02 . 1 . . . . . 1584 TYR HA . 52493 1 264 . 1 . 1 150 150 TYR C C 13 175.99 0.04 . 1 . . . . . 1584 TYR C . 52493 1 265 . 1 . 1 150 150 TYR CA C 13 58.19 0.10 . 1 . . . . . 1584 TYR CA . 52493 1 266 . 1 . 1 150 150 TYR CB C 13 38.91 0.25 . 1 . . . . . 1584 TYR CB . 52493 1 267 . 1 . 1 150 150 TYR N N 15 119.93 0.03 . 1 . . . . . 1584 TYR N . 52493 1 268 . 1 . 1 151 151 GLU H H 1 8.33 0.01 . 1 . . . . . 1585 GLU H . 52493 1 269 . 1 . 1 151 151 GLU HA H 1 4.18 0.02 . 1 . . . . . 1585 GLU HA . 52493 1 270 . 1 . 1 151 151 GLU C C 13 176.32 0.04 . 1 . . . . . 1585 GLU C . 52493 1 271 . 1 . 1 151 151 GLU CA C 13 56.88 0.10 . 1 . . . . . 1585 GLU CA . 52493 1 272 . 1 . 1 151 151 GLU CB C 13 30.68 0.25 . 1 . . . . . 1585 GLU CB . 52493 1 273 . 1 . 1 151 151 GLU N N 15 120.90 0.03 . 1 . . . . . 1585 GLU N . 52493 1 274 . 1 . 1 152 152 SER H H 1 8.24 0.01 . 1 . . . . . 1586 SER H . 52493 1 275 . 1 . 1 152 152 SER HA H 1 4.37 0.02 . 1 . . . . . 1586 SER HA . 52493 1 276 . 1 . 1 152 152 SER C C 13 174.36 0.04 . 1 . . . . . 1586 SER C . 52493 1 277 . 1 . 1 152 152 SER CA C 13 58.69 0.10 . 1 . . . . . 1586 SER CA . 52493 1 278 . 1 . 1 152 152 SER CB C 13 64.01 0.25 . 1 . . . . . 1586 SER CB . 52493 1 279 . 1 . 1 152 152 SER N N 15 115.18 0.03 . 1 . . . . . 1586 SER N . 52493 1 280 . 1 . 1 153 153 CYS H H 1 8.48 0.01 . 1 . . . . . 1587 CYS H . 52493 1 281 . 1 . 1 153 153 CYS C C 13 172.09 0.04 . 1 . . . . . 1587 CYS C . 52493 1 282 . 1 . 1 153 153 CYS CA C 13 53.79 0.10 . 1 . . . . . 1587 CYS CA . 52493 1 283 . 1 . 1 153 153 CYS CB C 13 40.86 0.25 . 1 . . . . . 1587 CYS CB . 52493 1 284 . 1 . 1 153 153 CYS N N 15 120.24 0.03 . 1 . . . . . 1587 CYS N . 52493 1 285 . 1 . 1 155 155 PRO HA H 1 4.30 0.02 . 1 . . . . . 1589 PRO HA . 52493 1 286 . 1 . 1 155 155 PRO C C 13 176.75 0.04 . 1 . . . . . 1589 PRO C . 52493 1 287 . 1 . 1 155 155 PRO CA C 13 63.05 0.10 . 1 . . . . . 1589 PRO CA . 52493 1 288 . 1 . 1 155 155 PRO CB C 13 32.27 0.25 . 1 . . . . . 1589 PRO CB . 52493 1 289 . 1 . 1 156 156 SER H H 1 8.39 0.01 . 1 . . . . . 1590 SER H . 52493 1 290 . 1 . 1 156 156 SER HA H 1 4.66 0.02 . 1 . . . . . 1590 SER HA . 52493 1 291 . 1 . 1 156 156 SER C C 13 173.41 0.04 . 1 . . . . . 1590 SER C . 52493 1 292 . 1 . 1 156 156 SER CA C 13 56.30 0.10 . 1 . . . . . 1590 SER CA . 52493 1 293 . 1 . 1 156 156 SER CB C 13 63.94 0.25 . 1 . . . . . 1590 SER CB . 52493 1 294 . 1 . 1 156 156 SER N N 15 116.02 0.03 . 1 . . . . . 1590 SER N . 52493 1 295 . 1 . 1 157 157 PRO HA H 1 4.30 0.02 . 1 . . . . . 1591 PRO HA . 52493 1 296 . 1 . 1 157 157 PRO C C 13 176.82 0.04 . 1 . . . . . 1591 PRO C . 52493 1 297 . 1 . 1 157 157 PRO CA C 13 63.64 0.10 . 1 . . . . . 1591 PRO CA . 52493 1 298 . 1 . 1 157 157 PRO CB C 13 32.16 0.25 . 1 . . . . . 1591 PRO CB . 52493 1 299 . 1 . 1 157 157 PRO N N 15 136.30 0.27 . 1 . . . . . 1591 PRO N . 52493 1 300 . 1 . 1 158 158 TYR H H 1 8.09 0.01 . 1 . . . . . 1592 TYR H . 52493 1 301 . 1 . 1 158 158 TYR HA H 1 4.46 0.02 . 1 . . . . . 1592 TYR HA . 52493 1 302 . 1 . 1 158 158 TYR C C 13 176.18 0.04 . 1 . . . . . 1592 TYR C . 52493 1 303 . 1 . 1 158 158 TYR CA C 13 58.31 0.10 . 1 . . . . . 1592 TYR CA . 52493 1 304 . 1 . 1 158 158 TYR CB C 13 38.66 0.25 . 1 . . . . . 1592 TYR CB . 52493 1 305 . 1 . 1 158 158 TYR N N 15 118.54 0.03 . 1 . . . . . 1592 TYR N . 52493 1 306 . 1 . 1 159 159 THR H H 1 7.85 0.01 . 1 . . . . . 1593 THR H . 52493 1 307 . 1 . 1 159 159 THR C C 13 174.28 0.04 . 1 . . . . . 1593 THR C . 52493 1 308 . 1 . 1 159 159 THR CA C 13 62.08 0.10 . 1 . . . . . 1593 THR CA . 52493 1 309 . 1 . 1 159 159 THR CB C 13 70.23 0.25 . 1 . . . . . 1593 THR CB . 52493 1 310 . 1 . 1 159 159 THR N N 15 114.66 0.03 . 1 . . . . . 1593 THR N . 52493 1 311 . 1 . 1 160 160 GLU H H 1 8.35 0.01 . 1 . . . . . 1594 GLU H . 52493 1 312 . 1 . 1 160 160 GLU C C 13 176.60 0.04 . 1 . . . . . 1594 GLU C . 52493 1 313 . 1 . 1 160 160 GLU CA C 13 56.97 0.10 . 1 . . . . . 1594 GLU CA . 52493 1 314 . 1 . 1 160 160 GLU CB C 13 30.48 0.50 . 1 . . . . . 1594 GLU CB . 52493 1 315 . 1 . 1 160 160 GLU N N 15 122.34 0.03 . 1 . . . . . 1594 GLU N . 52493 1 316 . 1 . 1 161 161 ARG HA H 1 4.18 0.02 . 1 . . . . . 1595 ARG HA . 52493 1 317 . 1 . 1 161 161 ARG C C 13 176.36 0.04 . 1 . . . . . 1595 ARG C . 52493 1 318 . 1 . 1 161 161 ARG CA C 13 56.72 0.10 . 1 . . . . . 1595 ARG CA . 52493 1 319 . 1 . 1 161 161 ARG CB C 13 30.80 0.25 . 1 . . . . . 1595 ARG CB . 52493 1 320 . 1 . 1 161 161 ARG N N 15 120.35 0.28 . 1 . . . . . 1595 ARG N . 52493 1 321 . 1 . 1 162 162 SER H H 1 8.26 0.01 . 1 . . . . . 1596 SER H . 52493 1 322 . 1 . 1 162 162 SER HA H 1 4.29 0.02 . 1 . . . . . 1596 SER HA . 52493 1 323 . 1 . 1 162 162 SER C C 13 174.40 0.04 . 1 . . . . . 1596 SER C . 52493 1 324 . 1 . 1 162 162 SER CA C 13 58.63 0.10 . 1 . . . . . 1596 SER CA . 52493 1 325 . 1 . 1 162 162 SER CB C 13 64.01 0.25 . 1 . . . . . 1596 SER CB . 52493 1 326 . 1 . 1 162 162 SER N N 15 115.34 0.03 . 1 . . . . . 1596 SER N . 52493 1 327 . 1 . 1 163 163 TYR H H 1 8.20 0.01 . 1 . . . . . 1597 TYR H . 52493 1 328 . 1 . 1 163 163 TYR HA H 1 4.46 0.02 . 1 . . . . . 1597 TYR HA . 52493 1 329 . 1 . 1 163 163 TYR C C 13 176.02 0.04 . 1 . . . . . 1597 TYR C . 52493 1 330 . 1 . 1 163 163 TYR CA C 13 58.29 0.10 . 1 . . . . . 1597 TYR CA . 52493 1 331 . 1 . 1 163 163 TYR CB C 13 38.94 0.25 . 1 . . . . . 1597 TYR CB . 52493 1 332 . 1 . 1 163 163 TYR N N 15 120.92 0.03 . 1 . . . . . 1597 TYR N . 52493 1 333 . 1 . 1 164 164 SER H H 1 8.15 0.01 . 1 . . . . . 1598 SER H . 52493 1 334 . 1 . 1 164 164 SER HA H 1 4.25 0.02 . 1 . . . . . 1598 SER HA . 52493 1 335 . 1 . 1 164 164 SER CB C 13 63.37 0.50 . 1 . . . . . 1598 SER CB . 52493 1 336 . 1 . 1 164 164 SER N N 15 115.65 0.03 . 1 . . . . . 1598 SER N . 52493 1 337 . 1 . 1 169 169 PRO HA H 1 3.75 0.02 . 1 . . . . . 1603 PRO HA . 52493 1 338 . 1 . 1 169 169 PRO C C 13 173.27 0.01 . 1 . . . . . 1603 PRO C . 52493 1 339 . 1 . 1 169 169 PRO CA C 13 61.43 0.50 . 1 . . . . . 1603 PRO CA . 52493 1 340 . 1 . 1 169 169 PRO CB C 13 32.79 0.50 . 1 . . . . . 1603 PRO CB . 52493 1 341 . 1 . 1 170 170 PRO HA H 1 4.45 0.02 . 1 . . . . . 1604 PRO HA . 52493 1 342 . 1 . 1 170 170 PRO C C 13 174.31 0.02 . 1 . . . . . 1604 PRO C . 52493 1 343 . 1 . 1 170 170 PRO CA C 13 61.63 0.50 . 1 . . . . . 1604 PRO CA . 52493 1 344 . 1 . 1 170 170 PRO CB C 13 31.09 0.50 . 1 . . . . . 1604 PRO CB . 52493 1 345 . 1 . 1 170 170 PRO N N 15 134.07 0.27 . 1 . . . . . 1604 PRO N . 52493 1 346 . 1 . 1 171 171 PRO HA H 1 4.59 0.02 . 1 . . . . . 1605 PRO HA . 52493 1 347 . 1 . 1 171 171 PRO C C 13 174.84 0.01 . 1 . . . . . 1605 PRO C . 52493 1 348 . 1 . 1 171 171 PRO CA C 13 61.34 0.50 . 1 . . . . . 1605 PRO CA . 52493 1 349 . 1 . 1 171 171 PRO CB C 13 30.89 0.50 . 1 . . . . . 1605 PRO CB . 52493 1 350 . 1 . 1 171 171 PRO N N 15 135.34 0.28 . 1 . . . . . 1605 PRO N . 52493 1 351 . 1 . 1 172 172 PRO HA H 1 4.32 0.02 . 1 . . . . . 1606 PRO HA . 52493 1 352 . 1 . 1 172 172 PRO C C 13 176.88 0.04 . 1 . . . . . 1606 PRO C . 52493 1 353 . 1 . 1 172 172 PRO CA C 13 63.01 0.10 . 1 . . . . . 1606 PRO CA . 52493 1 354 . 1 . 1 172 172 PRO CB C 13 32.37 0.25 . 1 . . . . . 1606 PRO CB . 52493 1 355 . 1 . 1 172 172 PRO N N 15 133.98 0.27 . 1 . . . . . 1606 PRO N . 52493 1 356 . 1 . 1 173 173 SER H H 1 8.44 0.01 . 1 . . . . . 1607 SER H . 52493 1 357 . 1 . 1 173 173 SER C C 13 172.94 0.04 . 1 . . . . . 1607 SER C . 52493 1 358 . 1 . 1 173 173 SER CA C 13 56.60 0.10 . 1 . . . . . 1607 SER CA . 52493 1 359 . 1 . 1 173 173 SER CB C 13 63.54 0.25 . 1 . . . . . 1607 SER CB . 52493 1 360 . 1 . 1 173 173 SER N N 15 116.46 0.03 . 1 . . . . . 1607 SER N . 52493 1 361 . 1 . 1 174 174 PRO C C 13 176.96 0.04 . 1 . . . . . 1608 PRO C . 52493 1 362 . 1 . 1 174 174 PRO CA C 13 63.76 0.10 . 1 . . . . . 1608 PRO CA . 52493 1 363 . 1 . 1 174 174 PRO CB C 13 32.34 0.25 . 1 . . . . . 1608 PRO CB . 52493 1 364 . 1 . 1 175 175 CYS H H 1 8.44 0.01 . 1 . . . . . 1609 CYS H . 52493 1 365 . 1 . 1 175 175 CYS C C 13 174.91 0.04 . 1 . . . . . 1609 CYS C . 52493 1 366 . 1 . 1 175 175 CYS CA C 13 56.18 0.10 . 1 . . . . . 1609 CYS CA . 52493 1 367 . 1 . 1 175 175 CYS CB C 13 41.30 0.25 . 1 . . . . . 1609 CYS CB . 52493 1 368 . 1 . 1 175 175 CYS N N 15 117.01 0.03 . 1 . . . . . 1609 CYS N . 52493 1 369 . 1 . 1 176 176 THR H H 1 8.18 0.01 . 1 . . . . . 1610 THR H . 52493 1 370 . 1 . 1 176 176 THR HA H 1 4.29 0.02 . 1 . . . . . 1610 THR HA . 52493 1 371 . 1 . 1 176 176 THR C C 13 174.09 0.04 . 1 . . . . . 1610 THR C . 52493 1 372 . 1 . 1 176 176 THR CA C 13 62.07 0.10 . 1 . . . . . 1610 THR CA . 52493 1 373 . 1 . 1 176 176 THR CB C 13 70.37 0.25 . 1 . . . . . 1610 THR CB . 52493 1 374 . 1 . 1 176 176 THR N N 15 114.38 0.03 . 1 . . . . . 1610 THR N . 52493 1 375 . 1 . 1 177 177 ASP H H 1 8.41 0.01 . 1 . . . . . 1611 ASP H . 52493 1 376 . 1 . 1 177 177 ASP HA H 1 4.59 0.02 . 1 . . . . . 1611 ASP HA . 52493 1 377 . 1 . 1 177 177 ASP C C 13 176.23 0.04 . 1 . . . . . 1611 ASP C . 52493 1 378 . 1 . 1 177 177 ASP CA C 13 54.61 0.10 . 1 . . . . . 1611 ASP CA . 52493 1 379 . 1 . 1 177 177 ASP CB C 13 41.51 0.25 . 1 . . . . . 1611 ASP CB . 52493 1 380 . 1 . 1 177 177 ASP N N 15 122.28 0.03 . 1 . . . . . 1611 ASP N . 52493 1 381 . 1 . 1 178 178 SER H H 1 8.31 0.01 . 1 . . . . . 1612 SER H . 52493 1 382 . 1 . 1 178 178 SER HA H 1 4.43 0.02 . 1 . . . . . 1612 SER HA . 52493 1 383 . 1 . 1 178 178 SER C C 13 173.91 0.04 . 1 . . . . . 1612 SER C . 52493 1 384 . 1 . 1 178 178 SER CA C 13 58.39 0.10 . 1 . . . . . 1612 SER CA . 52493 1 385 . 1 . 1 178 178 SER CB C 13 64.17 0.25 . 1 . . . . . 1612 SER CB . 52493 1 386 . 1 . 1 178 178 SER N N 15 115.78 0.03 . 1 . . . . . 1612 SER N . 52493 1 387 . 1 . 1 179 179 SER H H 1 8.07 0.01 . 1 . . . . . 1613 SER H . 52493 1 388 . 1 . 1 179 179 SER HA H 1 4.16 0.02 . 1 . . . . . 1613 SER HA . 52493 1 389 . 1 . 1 179 179 SER C C 13 178.84 0.04 . 1 . . . . . 1613 SER C . 52493 1 390 . 1 . 1 179 179 SER CA C 13 60.53 0.10 . 1 . . . . . 1613 SER CA . 52493 1 391 . 1 . 1 179 179 SER CB C 13 64.94 0.25 . 1 . . . . . 1613 SER CB . 52493 1 392 . 1 . 1 179 179 SER N N 15 122.39 0.03 . 1 . . . . . 1613 SER N . 52493 1 stop_ save_