data_7263 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7263 _Entry.Title ; Complete 1H assignment of Meg-A12 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-08-14 _Entry.Accession_date 2006-08-14 _Entry.Last_release_date 2007-03-09 _Entry.Original_release_date 2007-03-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Christian Wolf . A. . 7263 2 Felician Dancea . . . 7263 3 Meichen Shi . . . 7263 4 Veronika Bade-Noskova . . . 7263 5 Heinz Rueterjans . . . 7263 6 Dontscho Kerjaschki . . . 7263 7 Christian Luecke . . . 7263 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7263 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 280 7263 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 . . 2007-03-09 2006-08-14 original author . 7263 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2I1P 'BMRB Entry Tracking System' 7263 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7263 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17245526 _Citation.Full_citation . _Citation.Title 'Solution structure of the twelfth cysteine-rich ligand-binding repeat in rat megalin' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 37 _Citation.Journal_issue 4 _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 321 _Citation.Page_last 328 _Citation.Year 2007 _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.Entry_ID _Citation_author.Citation_ID 1 Christian Wolf . A. . 7263 1 2 Felician Dancea . . . 7263 1 3 Meichen Shi . . . 7263 1 4 Veronika Bade-Noskova . . . 7263 1 5 Heinz Rueterjans . . . 7263 1 6 Dontscho Kerjaschki . . . 7263 1 7 Christian Luecke . . . 7263 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'calcium cage' 7263 1 'cysteine-rich repeat' 7263 1 'ligand-binding domain' 7263 1 'low density lipoprotein receptor' 7263 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7263 _Assembly.ID 1 _Assembly.Name Meg-A12 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 5092.67 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7263 1 stop_ 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 Meg-A12 1 $Meg-A12 . . yes native no no . . . 7263 1 2 'CALCIUM (II) ION' 2 $CA . . no native no no . . . 7263 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 7 7 SG . 1 . 1 CYS 20 20 SG . . . . . . . . . . 7263 1 2 disulfide single . 1 . 1 CYS 14 14 SG . 1 . 1 CYS 33 33 SG . . . . . . . . . . 7263 1 3 disulfide single . 1 . 1 CYS 27 27 SG . 1 . 1 CYS 42 42 SG . . . . . . . . . . 7263 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2I1P . . NMR . . 'NMR solution structure of Meg-A12' 7263 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Meg-A12 _Entity.Sf_category entity _Entity.Sf_framecode Meg-A12 _Entity.Entry_ID 7263 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Meg-A12 _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 ; GAMVLNCTSAQFKCADGSSC INSRYRCDGVYDCRDNSDEA GCPTRPPG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'the first three residues are cloning artifacts' _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 48 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5092.67 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2I1P . "Solution Structure Of The Twelfth Cysteine-Rich Ligand- Binding Repeat In Rat Megalin" . . . . . 100.00 48 100.00 100.00 7.50e-26 . . . . 7263 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'ligand binding domain' 7263 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Meg-A12 . 7263 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'calcium cage' 7263 1 'cysteine-rich repeat' 7263 1 'ligand-binding domain' 7263 1 'low density lipoprotein receptor' 7263 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 1182 GLY . 7263 1 2 1183 ALA . 7263 1 3 1184 MET . 7263 1 4 1185 VAL . 7263 1 5 1186 LEU . 7263 1 6 1187 ASN . 7263 1 7 1188 CYS . 7263 1 8 1189 THR . 7263 1 9 1190 SER . 7263 1 10 1191 ALA . 7263 1 11 1192 GLN . 7263 1 12 1193 PHE . 7263 1 13 1194 LYS . 7263 1 14 1195 CYS . 7263 1 15 1196 ALA . 7263 1 16 1197 ASP . 7263 1 17 1198 GLY . 7263 1 18 1199 SER . 7263 1 19 1200 SER . 7263 1 20 1201 CYS . 7263 1 21 1202 ILE . 7263 1 22 1203 ASN . 7263 1 23 1204 SER . 7263 1 24 1205 ARG . 7263 1 25 1206 TYR . 7263 1 26 1207 ARG . 7263 1 27 1208 CYS . 7263 1 28 1209 ASP . 7263 1 29 1210 GLY . 7263 1 30 1211 VAL . 7263 1 31 1212 TYR . 7263 1 32 1213 ASP . 7263 1 33 1214 CYS . 7263 1 34 1215 ARG . 7263 1 35 1216 ASP . 7263 1 36 1217 ASN . 7263 1 37 1218 SER . 7263 1 38 1219 ASP . 7263 1 39 1220 GLU . 7263 1 40 1221 ALA . 7263 1 41 1222 GLY . 7263 1 42 1223 CYS . 7263 1 43 1224 PRO . 7263 1 44 1225 THR . 7263 1 45 1226 ARG . 7263 1 46 1227 PRO . 7263 1 47 1228 PRO . 7263 1 48 1229 GLY . 7263 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 7263 1 . ALA 2 2 7263 1 . MET 3 3 7263 1 . VAL 4 4 7263 1 . LEU 5 5 7263 1 . ASN 6 6 7263 1 . CYS 7 7 7263 1 . THR 8 8 7263 1 . SER 9 9 7263 1 . ALA 10 10 7263 1 . GLN 11 11 7263 1 . PHE 12 12 7263 1 . LYS 13 13 7263 1 . CYS 14 14 7263 1 . ALA 15 15 7263 1 . ASP 16 16 7263 1 . GLY 17 17 7263 1 . SER 18 18 7263 1 . SER 19 19 7263 1 . CYS 20 20 7263 1 . ILE 21 21 7263 1 . ASN 22 22 7263 1 . SER 23 23 7263 1 . ARG 24 24 7263 1 . TYR 25 25 7263 1 . ARG 26 26 7263 1 . CYS 27 27 7263 1 . ASP 28 28 7263 1 . GLY 29 29 7263 1 . VAL 30 30 7263 1 . TYR 31 31 7263 1 . ASP 32 32 7263 1 . CYS 33 33 7263 1 . ARG 34 34 7263 1 . ASP 35 35 7263 1 . ASN 36 36 7263 1 . SER 37 37 7263 1 . ASP 38 38 7263 1 . GLU 39 39 7263 1 . ALA 40 40 7263 1 . GLY 41 41 7263 1 . CYS 42 42 7263 1 . PRO 43 43 7263 1 . THR 44 44 7263 1 . ARG 45 45 7263 1 . PRO 46 46 7263 1 . PRO 47 47 7263 1 . GLY 48 48 7263 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 7263 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . CA . 7263 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7263 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Meg-A12 . 10116 organism no 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 7263 1 stop_ loop_ _Natural_source_db.Entity_natural_src_ID _Natural_source_db.Entity_ID _Natural_source_db.Entity_label _Natural_source_db.Entity_chimera_segment_ID _Natural_source_db.Database_code _Natural_source_db.Database_type _Natural_source_db.Entry_code _Natural_source_db.Entry_type _Natural_source_db.ORF_code _Natural_source_db.Gene_locus_code _Natural_source_db.Gene_cDNA_code _Natural_source_db.Entry_ID _Natural_source_db.Entity_natural_src_list_ID . 1 $Meg-A12 . SWS . P98158 sequence . . . 7263 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 7263 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Meg-A12 . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . plasmid . . pKM263 . . . . . . 7263 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 7263 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Sep 30 12:55:05 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 7263 CA [Ca++] SMILES CACTVS 3.341 7263 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 7263 CA [Ca+2] SMILES ACDLabs 10.04 7263 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 7263 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 7263 CA InChI=1S/Ca/q+2 InChI InChI 1.03 7263 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 7263 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 7263 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 7263 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7263 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 Meg-A12 . 1 $assembly . . . . 1.5 . . mM . . . . 7263 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7263 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.5 0.1 pH 7263 1 temperature 298 0.1 K 7263 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7263 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID BRUKER . . 7263 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data collection' 7263 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 7263 _Software.ID 2 _Software.Name AURELIA _Software.Version 2.5.9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID BRUKER . . 7263 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data analysis' 7263 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7263 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7263 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H1H TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7263 1 2 '1H1H NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7263 1 stop_ save_ save_1H1H_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H1H_TOCSY _NMR_spec_expt.Entry_ID 7263 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H1H TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H1H_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H1H_NOESY _NMR_spec_expt.Entry_ID 7263 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7263 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7263 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7263 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 '1H1H TOCSY' 1 $sample_1 isotropic 7263 1 2 '1H1H NOESY' 1 $sample_1 isotropic 7263 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 GLY HA2 H 1 4.21 0.01 . 9 . . . . 1182 GLY HA2 . 7263 1 2 . 1 1 1 1 GLY HA3 H 1 4.21 0.01 . 9 . . . . 1182 GLY HA3 . 7263 1 3 . 1 1 2 2 ALA H H 1 8.50 0.01 . 1 . . . . 1183 ALA H . 7263 1 4 . 1 1 2 2 ALA HA H 1 4.32 0.01 . 1 . . . . 1183 ALA HA . 7263 1 5 . 1 1 2 2 ALA HB1 H 1 1.50 0.01 . 1 . . . . 1183 ALA HB . 7263 1 6 . 1 1 2 2 ALA HB2 H 1 1.50 0.01 . 1 . . . . 1183 ALA HB . 7263 1 7 . 1 1 2 2 ALA HB3 H 1 1.50 0.01 . 1 . . . . 1183 ALA HB . 7263 1 8 . 1 1 3 3 MET H H 1 8.42 0.01 . 1 . . . . 1184 MET H . 7263 1 9 . 1 1 3 3 MET HA H 1 4.49 0.01 . 1 . . . . 1184 MET HA . 7263 1 10 . 1 1 3 3 MET HB2 H 1 2.02 0.01 . 1 . . . . 1184 MET HB2 . 7263 1 11 . 1 1 3 3 MET HB3 H 1 2.02 0.01 . 1 . . . . 1184 MET HB3 . 7263 1 12 . 1 1 3 3 MET HG2 H 1 2.56 0.01 . 1 . . . . 1184 MET HG2 . 7263 1 13 . 1 1 3 3 MET HG3 H 1 2.56 0.01 . 1 . . . . 1184 MET HG3 . 7263 1 14 . 1 1 4 4 VAL H H 1 8.31 0.01 . 1 . . . . 1185 VAL H . 7263 1 15 . 1 1 4 4 VAL HA H 1 4.09 0.01 . 1 . . . . 1185 VAL HA . 7263 1 16 . 1 1 4 4 VAL HB H 1 1.98 0.01 . 1 . . . . 1185 VAL HB . 7263 1 17 . 1 1 4 4 VAL HG11 H 1 0.88 0.01 . 1 . . . . 1185 VAL HG1 . 7263 1 18 . 1 1 4 4 VAL HG12 H 1 0.88 0.01 . 1 . . . . 1185 VAL HG1 . 7263 1 19 . 1 1 4 4 VAL HG13 H 1 0.88 0.01 . 1 . . . . 1185 VAL HG1 . 7263 1 20 . 1 1 4 4 VAL HG21 H 1 0.88 0.01 . 1 . . . . 1185 VAL HG2 . 7263 1 21 . 1 1 4 4 VAL HG22 H 1 0.88 0.01 . 1 . . . . 1185 VAL HG2 . 7263 1 22 . 1 1 4 4 VAL HG23 H 1 0.88 0.01 . 1 . . . . 1185 VAL HG2 . 7263 1 23 . 1 1 5 5 LEU H H 1 8.39 0.01 . 1 . . . . 1186 LEU H . 7263 1 24 . 1 1 5 5 LEU HA H 1 4.33 0.01 . 1 . . . . 1186 LEU HA . 7263 1 25 . 1 1 5 5 LEU HB2 H 1 1.53 0.01 . 2 . . . . 1186 LEU HB2 . 7263 1 26 . 1 1 5 5 LEU HB3 H 1 1.49 0.01 . 2 . . . . 1186 LEU HB3 . 7263 1 27 . 1 1 5 5 LEU HG H 1 1.43 0.01 . 1 . . . . 1186 LEU HG . 7263 1 28 . 1 1 5 5 LEU HD11 H 1 0.87 0.01 . 2 . . . . 1186 LEU HD1 . 7263 1 29 . 1 1 5 5 LEU HD12 H 1 0.87 0.01 . 2 . . . . 1186 LEU HD1 . 7263 1 30 . 1 1 5 5 LEU HD13 H 1 0.87 0.01 . 2 . . . . 1186 LEU HD1 . 7263 1 31 . 1 1 5 5 LEU HD21 H 1 0.74 0.01 . 2 . . . . 1186 LEU HD2 . 7263 1 32 . 1 1 5 5 LEU HD22 H 1 0.74 0.01 . 2 . . . . 1186 LEU HD2 . 7263 1 33 . 1 1 5 5 LEU HD23 H 1 0.74 0.01 . 2 . . . . 1186 LEU HD2 . 7263 1 34 . 1 1 6 6 ASN H H 1 8.44 0.01 . 1 . . . . 1187 ASN H . 7263 1 35 . 1 1 6 6 ASN HA H 1 4.89 0.01 . 1 . . . . 1187 ASN HA . 7263 1 36 . 1 1 6 6 ASN HB2 H 1 2.73 0.01 . 2 . . . . 1187 ASN HB2 . 7263 1 37 . 1 1 6 6 ASN HB3 H 1 2.62 0.01 . 2 . . . . 1187 ASN HB3 . 7263 1 38 . 1 1 6 6 ASN HD21 H 1 7.61 0.01 . 2 . . . . 1187 ASN HD21 . 7263 1 39 . 1 1 6 6 ASN HD22 H 1 6.92 0.01 . 2 . . . . 1187 ASN HD22 . 7263 1 40 . 1 1 7 7 CYS H H 1 8.50 0.01 . 1 . . . . 1188 CYS H . 7263 1 41 . 1 1 7 7 CYS HA H 1 5.07 0.01 . 1 . . . . 1188 CYS HA . 7263 1 42 . 1 1 7 7 CYS HB2 H 1 3.43 0.01 . 2 . . . . 1188 CYS HB2 . 7263 1 43 . 1 1 7 7 CYS HB3 H 1 2.59 0.01 . 2 . . . . 1188 CYS HB3 . 7263 1 44 . 1 1 8 8 THR H H 1 8.76 0.01 . 1 . . . . 1189 THR H . 7263 1 45 . 1 1 8 8 THR HA H 1 4.57 0.01 . 1 . . . . 1189 THR HA . 7263 1 46 . 1 1 8 8 THR HB H 1 4.71 0.01 . 1 . . . . 1189 THR HB . 7263 1 47 . 1 1 8 8 THR HG21 H 1 1.25 0.01 . 1 . . . . 1189 THR HG2 . 7263 1 48 . 1 1 8 8 THR HG22 H 1 1.25 0.01 . 1 . . . . 1189 THR HG2 . 7263 1 49 . 1 1 8 8 THR HG23 H 1 1.25 0.01 . 1 . . . . 1189 THR HG2 . 7263 1 50 . 1 1 9 9 SER H H 1 8.83 0.01 . 1 . . . . 1190 SER H . 7263 1 51 . 1 1 9 9 SER HA H 1 4.34 0.01 . 1 . . . . 1190 SER HA . 7263 1 52 . 1 1 9 9 SER HB2 H 1 4.09 0.01 . 2 . . . . 1190 SER HB2 . 7263 1 53 . 1 1 9 9 SER HB3 H 1 4.00 0.01 . 2 . . . . 1190 SER HB3 . 7263 1 54 . 1 1 10 10 ALA H H 1 7.78 0.01 . 1 . . . . 1191 ALA H . 7263 1 55 . 1 1 10 10 ALA HA H 1 4.60 0.01 . 1 . . . . 1191 ALA HA . 7263 1 56 . 1 1 10 10 ALA HB1 H 1 1.40 0.01 . 1 . . . . 1191 ALA HB . 7263 1 57 . 1 1 10 10 ALA HB2 H 1 1.40 0.01 . 1 . . . . 1191 ALA HB . 7263 1 58 . 1 1 10 10 ALA HB3 H 1 1.40 0.01 . 1 . . . . 1191 ALA HB . 7263 1 59 . 1 1 11 11 GLN H H 1 7.69 0.01 . 1 . . . . 1192 GLN H . 7263 1 60 . 1 1 11 11 GLN HA H 1 5.04 0.01 . 1 . . . . 1192 GLN HA . 7263 1 61 . 1 1 11 11 GLN HB2 H 1 2.27 0.01 . 1 . . . . 1192 GLN HB2 . 7263 1 62 . 1 1 11 11 GLN HB3 H 1 1.77 0.01 . 1 . . . . 1192 GLN HB3 . 7263 1 63 . 1 1 11 11 GLN HG2 H 1 2.33 0.01 . 1 . . . . 1192 GLN HG2 . 7263 1 64 . 1 1 11 11 GLN HG3 H 1 2.04 0.01 . 1 . . . . 1192 GLN HG3 . 7263 1 65 . 1 1 11 11 GLN HE21 H 1 7.55 0.01 . 2 . . . . 1192 GLN HE21 . 7263 1 66 . 1 1 11 11 GLN HE22 H 1 6.69 0.01 . 2 . . . . 1192 GLN HE22 . 7263 1 67 . 1 1 12 12 PHE H H 1 9.41 0.01 . 1 . . . . 1193 PHE H . 7263 1 68 . 1 1 12 12 PHE HA H 1 4.72 0.01 . 1 . . . . 1193 PHE HA . 7263 1 69 . 1 1 12 12 PHE HB2 H 1 3.00 0.01 . 2 . . . . 1193 PHE HB2 . 7263 1 70 . 1 1 12 12 PHE HB3 H 1 2.63 0.01 . 2 . . . . 1193 PHE HB3 . 7263 1 71 . 1 1 12 12 PHE HD1 H 1 7.12 0.01 . 1 . . . . 1193 PHE HD1 . 7263 1 72 . 1 1 12 12 PHE HD2 H 1 7.12 0.01 . 1 . . . . 1193 PHE HD2 . 7263 1 73 . 1 1 12 12 PHE HE1 H 1 7.43 0.01 . 1 . . . . 1193 PHE HE1 . 7263 1 74 . 1 1 12 12 PHE HE2 H 1 7.43 0.01 . 1 . . . . 1193 PHE HE2 . 7263 1 75 . 1 1 12 12 PHE HZ H 1 7.18 0.01 . 1 . . . . 1193 PHE HZ . 7263 1 76 . 1 1 13 13 LYS H H 1 7.89 0.01 . 1 . . . . 1194 LYS H . 7263 1 77 . 1 1 13 13 LYS HA H 1 4.49 0.01 . 1 . . . . 1194 LYS HA . 7263 1 78 . 1 1 13 13 LYS HB2 H 1 1.52 0.01 . 1 . . . . 1194 LYS HB2 . 7263 1 79 . 1 1 13 13 LYS HB3 H 1 1.52 0.01 . 1 . . . . 1194 LYS HB3 . 7263 1 80 . 1 1 13 13 LYS HG2 H 1 1.27 0.01 . 2 . . . . 1194 LYS HG2 . 7263 1 81 . 1 1 13 13 LYS HG3 H 1 1.16 0.01 . 2 . . . . 1194 LYS HG3 . 7263 1 82 . 1 1 13 13 LYS HD2 H 1 1.40 0.01 . 1 . . . . 1194 LYS HD2 . 7263 1 83 . 1 1 13 13 LYS HD3 H 1 1.40 0.01 . 1 . . . . 1194 LYS HD3 . 7263 1 84 . 1 1 13 13 LYS HE2 H 1 2.84 0.01 . 1 . . . . 1194 LYS HE2 . 7263 1 85 . 1 1 13 13 LYS HE3 H 1 2.84 0.01 . 1 . . . . 1194 LYS HE3 . 7263 1 86 . 1 1 14 14 CYS H H 1 8.02 0.01 . 1 . . . . 1195 CYS H . 7263 1 87 . 1 1 14 14 CYS HA H 1 4.59 0.01 . 1 . . . . 1195 CYS HA . 7263 1 88 . 1 1 14 14 CYS HB2 H 1 3.36 0.01 . 2 . . . . 1195 CYS HB2 . 7263 1 89 . 1 1 14 14 CYS HB3 H 1 2.64 0.01 . 2 . . . . 1195 CYS HB3 . 7263 1 90 . 1 1 15 15 ALA H H 1 9.38 0.01 . 1 . . . . 1196 ALA H . 7263 1 91 . 1 1 15 15 ALA HA H 1 3.94 0.01 . 1 . . . . 1196 ALA HA . 7263 1 92 . 1 1 15 15 ALA HB1 H 1 1.60 0.01 . 1 . . . . 1196 ALA HB . 7263 1 93 . 1 1 15 15 ALA HB2 H 1 1.60 0.01 . 1 . . . . 1196 ALA HB . 7263 1 94 . 1 1 15 15 ALA HB3 H 1 1.60 0.01 . 1 . . . . 1196 ALA HB . 7263 1 95 . 1 1 16 16 ASP H H 1 8.31 0.01 . 1 . . . . 1197 ASP H . 7263 1 96 . 1 1 16 16 ASP HA H 1 4.36 0.01 . 1 . . . . 1197 ASP HA . 7263 1 97 . 1 1 16 16 ASP HB2 H 1 3.02 0.01 . 2 . . . . 1197 ASP HB2 . 7263 1 98 . 1 1 16 16 ASP HB3 H 1 2.77 0.01 . 2 . . . . 1197 ASP HB3 . 7263 1 99 . 1 1 17 17 GLY H H 1 8.85 0.01 . 1 . . . . 1198 GLY H . 7263 1 100 . 1 1 17 17 GLY HA2 H 1 4.10 0.01 . 2 . . . . 1198 GLY HA2 . 7263 1 101 . 1 1 17 17 GLY HA3 H 1 3.44 0.01 . 2 . . . . 1198 GLY HA3 . 7263 1 102 . 1 1 18 18 SER H H 1 8.15 0.01 . 1 . . . . 1199 SER H . 7263 1 103 . 1 1 18 18 SER HA H 1 4.01 0.01 . 1 . . . . 1199 SER HA . 7263 1 104 . 1 1 18 18 SER HB2 H 1 3.81 0.01 . 1 . . . . 1199 SER HB2 . 7263 1 105 . 1 1 18 18 SER HB3 H 1 3.81 0.01 . 1 . . . . 1199 SER HB3 . 7263 1 106 . 1 1 19 19 SER H H 1 6.79 0.01 . 1 . . . . 1200 SER H . 7263 1 107 . 1 1 19 19 SER HA H 1 4.49 0.01 . 1 . . . . 1200 SER HA . 7263 1 108 . 1 1 19 19 SER HB2 H 1 3.81 0.01 . 1 . . . . 1200 SER HB2 . 7263 1 109 . 1 1 19 19 SER HB3 H 1 3.81 0.01 . 1 . . . . 1200 SER HB3 . 7263 1 110 . 1 1 20 20 CYS H H 1 8.44 0.01 . 1 . . . . 1201 CYS H . 7263 1 111 . 1 1 20 20 CYS HA H 1 5.37 0.01 . 1 . . . . 1201 CYS HA . 7263 1 112 . 1 1 20 20 CYS HB2 H 1 2.79 0.01 . 2 . . . . 1201 CYS HB2 . 7263 1 113 . 1 1 20 20 CYS HB3 H 1 2.69 0.01 . 2 . . . . 1201 CYS HB3 . 7263 1 114 . 1 1 21 21 ILE H H 1 9.28 0.01 . 1 . . . . 1202 ILE H . 7263 1 115 . 1 1 21 21 ILE HA H 1 5.02 0.01 . 1 . . . . 1202 ILE HA . 7263 1 116 . 1 1 21 21 ILE HB H 1 2.12 0.01 . 1 . . . . 1202 ILE HB . 7263 1 117 . 1 1 21 21 ILE HG12 H 1 1.64 0.01 . 2 . . . . 1202 ILE HG12 . 7263 1 118 . 1 1 21 21 ILE HG13 H 1 1.45 0.01 . 2 . . . . 1202 ILE HG13 . 7263 1 119 . 1 1 21 21 ILE HG21 H 1 0.91 0.01 . 1 . . . . 1202 ILE HG2 . 7263 1 120 . 1 1 21 21 ILE HG22 H 1 0.91 0.01 . 1 . . . . 1202 ILE HG2 . 7263 1 121 . 1 1 21 21 ILE HG23 H 1 0.91 0.01 . 1 . . . . 1202 ILE HG2 . 7263 1 122 . 1 1 21 21 ILE HD11 H 1 0.95 0.01 . 1 . . . . 1202 ILE HD1 . 7263 1 123 . 1 1 21 21 ILE HD12 H 1 0.95 0.01 . 1 . . . . 1202 ILE HD1 . 7263 1 124 . 1 1 21 21 ILE HD13 H 1 0.95 0.01 . 1 . . . . 1202 ILE HD1 . 7263 1 125 . 1 1 22 22 ASN H H 1 9.16 0.01 . 1 . . . . 1203 ASN H . 7263 1 126 . 1 1 22 22 ASN HA H 1 4.46 0.01 . 1 . . . . 1203 ASN HA . 7263 1 127 . 1 1 22 22 ASN HB2 H 1 2.80 0.01 . 2 . . . . 1203 ASN HB2 . 7263 1 128 . 1 1 22 22 ASN HB3 H 1 2.57 0.01 . 2 . . . . 1203 ASN HB3 . 7263 1 129 . 1 1 22 22 ASN HD21 H 1 7.70 0.01 . 2 . . . . 1203 ASN HD21 . 7263 1 130 . 1 1 22 22 ASN HD22 H 1 7.06 0.01 . 2 . . . . 1203 ASN HD22 . 7263 1 131 . 1 1 23 23 SER H H 1 8.75 0.01 . 1 . . . . 1204 SER H . 7263 1 132 . 1 1 23 23 SER HA H 1 3.89 0.01 . 1 . . . . 1204 SER HA . 7263 1 133 . 1 1 23 23 SER HB2 H 1 3.69 0.01 . 1 . . . . 1204 SER HB2 . 7263 1 134 . 1 1 23 23 SER HB3 H 1 3.69 0.01 . 1 . . . . 1204 SER HB3 . 7263 1 135 . 1 1 24 24 ARG H H 1 8.58 0.01 . 1 . . . . 1205 ARG H . 7263 1 136 . 1 1 24 24 ARG HA H 1 4.14 0.01 . 1 . . . . 1205 ARG HA . 7263 1 137 . 1 1 24 24 ARG HB2 H 1 1.56 0.01 . 2 . . . . 1205 ARG HB2 . 7263 1 138 . 1 1 24 24 ARG HB3 H 1 1.39 0.01 . 2 . . . . 1205 ARG HB3 . 7263 1 139 . 1 1 24 24 ARG HG2 H 1 1.15 0.01 . 2 . . . . 1205 ARG HG2 . 7263 1 140 . 1 1 24 24 ARG HG3 H 1 0.85 0.01 . 2 . . . . 1205 ARG HG3 . 7263 1 141 . 1 1 24 24 ARG HD2 H 1 2.95 0.01 . 1 . . . . 1205 ARG HD2 . 7263 1 142 . 1 1 24 24 ARG HD3 H 1 2.95 0.01 . 1 . . . . 1205 ARG HD3 . 7263 1 143 . 1 1 24 24 ARG HE H 1 6.90 0.01 . 1 . . . . 1205 ARG HE . 7263 1 144 . 1 1 25 25 TYR H H 1 7.87 0.01 . 1 . . . . 1206 TYR H . 7263 1 145 . 1 1 25 25 TYR HA H 1 4.89 0.01 . 1 . . . . 1206 TYR HA . 7263 1 146 . 1 1 25 25 TYR HB2 H 1 3.89 0.01 . 2 . . . . 1206 TYR HB2 . 7263 1 147 . 1 1 25 25 TYR HB3 H 1 2.75 0.01 . 2 . . . . 1206 TYR HB3 . 7263 1 148 . 1 1 25 25 TYR HD1 H 1 7.27 0.01 . 1 . . . . 1206 TYR HD1 . 7263 1 149 . 1 1 25 25 TYR HD2 H 1 7.27 0.01 . 1 . . . . 1206 TYR HD2 . 7263 1 150 . 1 1 25 25 TYR HE1 H 1 6.85 0.01 . 1 . . . . 1206 TYR HE1 . 7263 1 151 . 1 1 25 25 TYR HE2 H 1 6.85 0.01 . 1 . . . . 1206 TYR HE2 . 7263 1 152 . 1 1 26 26 ARG H H 1 7.78 0.01 . 1 . . . . 1207 ARG H . 7263 1 153 . 1 1 26 26 ARG HA H 1 4.07 0.01 . 1 . . . . 1207 ARG HA . 7263 1 154 . 1 1 26 26 ARG HB2 H 1 2.20 0.01 . 2 . . . . 1207 ARG HB2 . 7263 1 155 . 1 1 26 26 ARG HB3 H 1 1.22 0.01 . 2 . . . . 1207 ARG HB3 . 7263 1 156 . 1 1 26 26 ARG HG2 H 1 1.49 0.01 . 2 . . . . 1207 ARG HG2 . 7263 1 157 . 1 1 26 26 ARG HG3 H 1 1.35 0.01 . 2 . . . . 1207 ARG HG3 . 7263 1 158 . 1 1 26 26 ARG HD2 H 1 2.96 0.01 . 2 . . . . 1207 ARG HD2 . 7263 1 159 . 1 1 26 26 ARG HD3 H 1 1.93 0.01 . 2 . . . . 1207 ARG HD3 . 7263 1 160 . 1 1 26 26 ARG HE H 1 7.07 0.01 . 1 . . . . 1207 ARG HE . 7263 1 161 . 1 1 27 27 CYS H H 1 8.48 0.01 . 1 . . . . 1208 CYS H . 7263 1 162 . 1 1 27 27 CYS HA H 1 4.89 0.01 . 9 . . . . 1208 CYS HA . 7263 1 163 . 1 1 27 27 CYS HB2 H 1 3.34 0.01 . 2 . . . . 1208 CYS HB2 . 7263 1 164 . 1 1 27 27 CYS HB3 H 1 3.13 0.01 . 2 . . . . 1208 CYS HB3 . 7263 1 165 . 1 1 28 28 ASP H H 1 9.66 0.01 . 1 . . . . 1209 ASP H . 7263 1 166 . 1 1 28 28 ASP HA H 1 4.89 0.01 . 1 . . . . 1209 ASP HA . 7263 1 167 . 1 1 28 28 ASP HB2 H 1 3.12 0.01 . 2 . . . . 1209 ASP HB2 . 7263 1 168 . 1 1 28 28 ASP HB3 H 1 2.50 0.01 . 2 . . . . 1209 ASP HB3 . 7263 1 169 . 1 1 29 29 GLY H H 1 9.32 0.01 . 1 . . . . 1210 GLY H . 7263 1 170 . 1 1 29 29 GLY HA2 H 1 4.07 0.01 . 2 . . . . 1210 GLY HA2 . 7263 1 171 . 1 1 29 29 GLY HA3 H 1 3.35 0.01 . 2 . . . . 1210 GLY HA3 . 7263 1 172 . 1 1 30 30 VAL H H 1 7.42 0.01 . 1 . . . . 1211 VAL H . 7263 1 173 . 1 1 30 30 VAL HA H 1 3.91 0.01 . 1 . . . . 1211 VAL HA . 7263 1 174 . 1 1 30 30 VAL HB H 1 2.12 0.01 . 1 . . . . 1211 VAL HB . 7263 1 175 . 1 1 30 30 VAL HG11 H 1 0.71 0.01 . 1 . . . . 1211 VAL HG1 . 7263 1 176 . 1 1 30 30 VAL HG12 H 1 0.71 0.01 . 1 . . . . 1211 VAL HG1 . 7263 1 177 . 1 1 30 30 VAL HG13 H 1 0.71 0.01 . 1 . . . . 1211 VAL HG1 . 7263 1 178 . 1 1 30 30 VAL HG21 H 1 0.71 0.01 . 1 . . . . 1211 VAL HG2 . 7263 1 179 . 1 1 30 30 VAL HG22 H 1 0.71 0.01 . 1 . . . . 1211 VAL HG2 . 7263 1 180 . 1 1 30 30 VAL HG23 H 1 0.71 0.01 . 1 . . . . 1211 VAL HG2 . 7263 1 181 . 1 1 31 31 TYR H H 1 8.98 0.01 . 1 . . . . 1212 TYR H . 7263 1 182 . 1 1 31 31 TYR HA H 1 4.73 0.01 . 1 . . . . 1212 TYR HA . 7263 1 183 . 1 1 31 31 TYR HB2 H 1 3.22 0.01 . 2 . . . . 1212 TYR HB2 . 7263 1 184 . 1 1 31 31 TYR HB3 H 1 2.99 0.01 . 2 . . . . 1212 TYR HB3 . 7263 1 185 . 1 1 31 31 TYR HD1 H 1 6.96 0.01 . 1 . . . . 1212 TYR HD1 . 7263 1 186 . 1 1 31 31 TYR HD2 H 1 6.96 0.01 . 1 . . . . 1212 TYR HD2 . 7263 1 187 . 1 1 31 31 TYR HE1 H 1 6.82 0.01 . 1 . . . . 1212 TYR HE1 . 7263 1 188 . 1 1 31 31 TYR HE2 H 1 6.82 0.01 . 1 . . . . 1212 TYR HE2 . 7263 1 189 . 1 1 32 32 ASP H H 1 10.39 0.01 . 1 . . . . 1213 ASP H . 7263 1 190 . 1 1 32 32 ASP HA H 1 4.72 0.01 . 1 . . . . 1213 ASP HA . 7263 1 191 . 1 1 32 32 ASP HB2 H 1 2.57 0.01 . 1 . . . . 1213 ASP HB2 . 7263 1 192 . 1 1 32 32 ASP HB3 H 1 2.57 0.01 . 1 . . . . 1213 ASP HB3 . 7263 1 193 . 1 1 33 33 CYS H H 1 8.50 0.01 . 1 . . . . 1214 CYS H . 7263 1 194 . 1 1 33 33 CYS HA H 1 4.85 0.01 . 9 . . . . 1214 CYS HA . 7263 1 195 . 1 1 33 33 CYS HB2 H 1 3.62 0.01 . 2 . . . . 1214 CYS HB2 . 7263 1 196 . 1 1 33 33 CYS HB3 H 1 3.33 0.01 . 2 . . . . 1214 CYS HB3 . 7263 1 197 . 1 1 34 34 ARG H H 1 9.54 0.01 . 1 . . . . 1215 ARG H . 7263 1 198 . 1 1 34 34 ARG HA H 1 4.18 0.01 . 1 . . . . 1215 ARG HA . 7263 1 199 . 1 1 34 34 ARG HB2 H 1 2.00 0.01 . 2 . . . . 1215 ARG HB2 . 7263 1 200 . 1 1 34 34 ARG HB3 H 1 1.94 0.01 . 2 . . . . 1215 ARG HB3 . 7263 1 201 . 1 1 34 34 ARG HG2 H 1 1.76 0.01 . 2 . . . . 1215 ARG HG2 . 7263 1 202 . 1 1 34 34 ARG HG3 H 1 1.65 0.01 . 2 . . . . 1215 ARG HG3 . 7263 1 203 . 1 1 34 34 ARG HD2 H 1 3.20 0.01 . 1 . . . . 1215 ARG HD2 . 7263 1 204 . 1 1 34 34 ARG HD3 H 1 3.20 0.01 . 1 . . . . 1215 ARG HD3 . 7263 1 205 . 1 1 34 34 ARG HE H 1 7.57 0.01 . 1 . . . . 1215 ARG HE . 7263 1 206 . 1 1 35 35 ASP H H 1 7.69 0.01 . 1 . . . . 1216 ASP H . 7263 1 207 . 1 1 35 35 ASP HA H 1 4.50 0.01 . 1 . . . . 1216 ASP HA . 7263 1 208 . 1 1 35 35 ASP HB2 H 1 3.09 0.01 . 2 . . . . 1216 ASP HB2 . 7263 1 209 . 1 1 35 35 ASP HB3 H 1 2.58 0.01 . 2 . . . . 1216 ASP HB3 . 7263 1 210 . 1 1 36 36 ASN H H 1 8.19 0.01 . 1 . . . . 1217 ASN H . 7263 1 211 . 1 1 36 36 ASN HA H 1 4.30 0.01 . 1 . . . . 1217 ASN HA . 7263 1 212 . 1 1 36 36 ASN HB2 H 1 3.13 0.01 . 2 . . . . 1217 ASN HB2 . 7263 1 213 . 1 1 36 36 ASN HB3 H 1 2.82 0.01 . 2 . . . . 1217 ASN HB3 . 7263 1 214 . 1 1 36 36 ASN HD21 H 1 7.55 0.01 . 2 . . . . 1217 ASN HD21 . 7263 1 215 . 1 1 36 36 ASN HD22 H 1 6.82 0.01 . 2 . . . . 1217 ASN HD22 . 7263 1 216 . 1 1 37 37 SER H H 1 8.72 0.01 . 1 . . . . 1218 SER H . 7263 1 217 . 1 1 37 37 SER HA H 1 4.13 0.01 . 1 . . . . 1218 SER HA . 7263 1 218 . 1 1 37 37 SER HB2 H 1 4.05 0.01 . 1 . . . . 1218 SER HB2 . 7263 1 219 . 1 1 37 37 SER HB3 H 1 4.05 0.01 . 1 . . . . 1218 SER HB3 . 7263 1 220 . 1 1 38 38 ASP H H 1 10.03 0.01 . 1 . . . . 1219 ASP H . 7263 1 221 . 1 1 38 38 ASP HA H 1 3.96 0.01 . 1 . . . . 1219 ASP HA . 7263 1 222 . 1 1 38 38 ASP HB2 H 1 2.89 0.01 . 2 . . . . 1219 ASP HB2 . 7263 1 223 . 1 1 38 38 ASP HB3 H 1 2.50 0.01 . 2 . . . . 1219 ASP HB3 . 7263 1 224 . 1 1 39 39 GLU H H 1 7.58 0.01 . 1 . . . . 1220 GLU H . 7263 1 225 . 1 1 39 39 GLU HA H 1 4.86 0.01 . 1 . . . . 1220 GLU HA . 7263 1 226 . 1 1 39 39 GLU HB2 H 1 2.11 0.01 . 2 . . . . 1220 GLU HB2 . 7263 1 227 . 1 1 39 39 GLU HB3 H 1 1.60 0.01 . 2 . . . . 1220 GLU HB3 . 7263 1 228 . 1 1 39 39 GLU HG2 H 1 2.59 0.01 . 1 . . . . 1220 GLU HG2 . 7263 1 229 . 1 1 39 39 GLU HG3 H 1 2.59 0.01 . 1 . . . . 1220 GLU HG3 . 7263 1 230 . 1 1 40 40 ALA H H 1 7.21 0.01 . 1 . . . . 1221 ALA H . 7263 1 231 . 1 1 40 40 ALA HA H 1 4.64 0.01 . 1 . . . . 1221 ALA HA . 7263 1 232 . 1 1 40 40 ALA HB1 H 1 1.52 0.01 . 1 . . . . 1221 ALA HB . 7263 1 233 . 1 1 40 40 ALA HB2 H 1 1.52 0.01 . 1 . . . . 1221 ALA HB . 7263 1 234 . 1 1 40 40 ALA HB3 H 1 1.52 0.01 . 1 . . . . 1221 ALA HB . 7263 1 235 . 1 1 41 41 GLY H H 1 9.05 0.01 . 1 . . . . 1222 GLY H . 7263 1 236 . 1 1 41 41 GLY HA2 H 1 3.98 0.01 . 2 . . . . 1222 GLY HA2 . 7263 1 237 . 1 1 41 41 GLY HA3 H 1 3.87 0.01 . 2 . . . . 1222 GLY HA3 . 7263 1 238 . 1 1 42 42 CYS H H 1 8.03 0.01 . 1 . . . . 1223 CYS H . 7263 1 239 . 1 1 42 42 CYS HA H 1 4.72 0.01 . 1 . . . . 1223 CYS HA . 7263 1 240 . 1 1 42 42 CYS HB2 H 1 3.18 0.01 . 2 . . . . 1223 CYS HB2 . 7263 1 241 . 1 1 42 42 CYS HB3 H 1 2.77 0.01 . 2 . . . . 1223 CYS HB3 . 7263 1 242 . 1 1 43 43 PRO HA H 1 4.55 0.01 . 1 . . . . 1224 PRO HA . 7263 1 243 . 1 1 43 43 PRO HB2 H 1 2.36 0.01 . 2 . . . . 1224 PRO HB2 . 7263 1 244 . 1 1 43 43 PRO HB3 H 1 1.96 0.01 . 2 . . . . 1224 PRO HB3 . 7263 1 245 . 1 1 43 43 PRO HG2 H 1 2.09 0.01 . 1 . . . . 1224 PRO HG2 . 7263 1 246 . 1 1 43 43 PRO HG3 H 1 2.09 0.01 . 1 . . . . 1224 PRO HG3 . 7263 1 247 . 1 1 43 43 PRO HD2 H 1 3.95 0.01 . 2 . . . . 1224 PRO HD2 . 7263 1 248 . 1 1 43 43 PRO HD3 H 1 3.78 0.01 . 2 . . . . 1224 PRO HD3 . 7263 1 249 . 1 1 44 44 THR H H 1 8.34 0.01 . 1 . . . . 1225 THR H . 7263 1 250 . 1 1 44 44 THR HA H 1 4.24 0.01 . 1 . . . . 1225 THR HA . 7263 1 251 . 1 1 44 44 THR HB H 1 4.13 0.01 . 1 . . . . 1225 THR HB . 7263 1 252 . 1 1 44 44 THR HG21 H 1 1.22 0.01 . 1 . . . . 1225 THR HG2 . 7263 1 253 . 1 1 44 44 THR HG22 H 1 1.22 0.01 . 1 . . . . 1225 THR HG2 . 7263 1 254 . 1 1 44 44 THR HG23 H 1 1.22 0.01 . 1 . . . . 1225 THR HG2 . 7263 1 255 . 1 1 45 45 ARG H H 1 8.42 0.01 . 1 . . . . 1226 ARG H . 7263 1 256 . 1 1 45 45 ARG HA H 1 4.66 0.01 . 1 . . . . 1226 ARG HA . 7263 1 257 . 1 1 45 45 ARG HB2 H 1 1.83 0.01 . 2 . . . . 1226 ARG HB2 . 7263 1 258 . 1 1 45 45 ARG HB3 H 1 1.72 0.01 . 2 . . . . 1226 ARG HB3 . 7263 1 259 . 1 1 45 45 ARG HG2 H 1 1.68 0.01 . 1 . . . . 1226 ARG HG2 . 7263 1 260 . 1 1 45 45 ARG HG3 H 1 1.68 0.01 . 1 . . . . 1226 ARG HG3 . 7263 1 261 . 1 1 45 45 ARG HD2 H 1 3.19 0.01 . 1 . . . . 1226 ARG HD2 . 7263 1 262 . 1 1 45 45 ARG HD3 H 1 3.19 0.01 . 1 . . . . 1226 ARG HD3 . 7263 1 263 . 1 1 45 45 ARG HE H 1 7.21 0.01 . 1 . . . . 1226 ARG HE . 7263 1 264 . 1 1 46 46 PRO HA H 1 4.72 0.01 . 1 . . . . 1227 PRO HA . 7263 1 265 . 1 1 46 46 PRO HB2 H 1 2.39 0.01 . 2 . . . . 1227 PRO HB2 . 7263 1 266 . 1 1 46 46 PRO HB3 H 1 1.94 0.01 . 2 . . . . 1227 PRO HB3 . 7263 1 267 . 1 1 46 46 PRO HG2 H 1 2.05 0.01 . 1 . . . . 1227 PRO HG2 . 7263 1 268 . 1 1 46 46 PRO HG3 H 1 2.05 0.01 . 1 . . . . 1227 PRO HG3 . 7263 1 269 . 1 1 46 46 PRO HD2 H 1 3.86 0.01 . 2 . . . . 1227 PRO HD2 . 7263 1 270 . 1 1 46 46 PRO HD3 H 1 3.61 0.01 . 2 . . . . 1227 PRO HD3 . 7263 1 271 . 1 1 47 47 PRO HA H 1 4.44 0.01 . 1 . . . . 1228 PRO HA . 7263 1 272 . 1 1 47 47 PRO HB2 H 1 2.32 0.01 . 2 . . . . 1228 PRO HB2 . 7263 1 273 . 1 1 47 47 PRO HB3 H 1 2.02 0.01 . 2 . . . . 1228 PRO HB3 . 7263 1 274 . 1 1 47 47 PRO HG2 H 1 2.07 0.01 . 1 . . . . 1228 PRO HG2 . 7263 1 275 . 1 1 47 47 PRO HG3 H 1 2.07 0.01 . 1 . . . . 1228 PRO HG3 . 7263 1 276 . 1 1 47 47 PRO HD2 H 1 3.84 0.01 . 2 . . . . 1228 PRO HD2 . 7263 1 277 . 1 1 47 47 PRO HD3 H 1 3.71 0.01 . 2 . . . . 1228 PRO HD3 . 7263 1 278 . 1 1 48 48 GLY H H 1 7.97 0.01 . 1 . . . . 1229 GLY H . 7263 1 279 . 1 1 48 48 GLY HA2 H 1 3.77 0.01 . 1 . . . . 1229 GLY HA2 . 7263 1 280 . 1 1 48 48 GLY HA3 H 1 3.77 0.01 . 1 . . . . 1229 GLY HA3 . 7263 1 stop_ save_