data_19473 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19473 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for Sp140 PHD finger cis conformer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-08-29 _Entry.Accession_date 2013-08-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Chiara Zucchelli . . . 19473 2 Giacomo Quilici . . . 19473 3 Giovanna Musco . . . 19473 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Dulbecco Telethon Institute c/o Biomolecular NMR Laboratory S. Raffaele Scientific Institute' . 19473 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19473 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 159 19473 '15N chemical shifts' 53 19473 '1H chemical shifts' 354 19473 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-02-03 2013-08-29 update BMRB 'update entry citation' 19473 1 . . 2013-09-19 2013-08-29 original author 'original release' 19473 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19472 'Sp140 PHD finger trans conformer' 19473 PDB 2MD8 'BMRB Entry Tracking System' 19473 stop_ save_ ############### # Citations # ############### save_Sp140_PHD_finger _Citation.Sf_category citations _Citation.Sf_framecode Sp140_PHD_finger _Citation.Entry_ID 19473 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24267382 _Citation.Full_citation . _Citation.Title 'Structure of human Sp140 PHD finger: an atypical fold interacting with Pin1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full 'The FEBS journal' _Citation.Journal_volume 281 _Citation.Journal_issue 1 _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 216 _Citation.Page_last 231 _Citation.Year 2014 _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 Chiara Zucchelli . . . 19473 1 2 Simone Tamburri . . . 19473 1 3 Giacomo Quilici . . . 19473 1 4 Eleonora Palagano . . . 19473 1 5 Andrea Berardi . . . 19473 1 6 Mario Saare . . . 19473 1 7 Part Peterson . . . 19473 1 8 Angela Bachi . . . 19473 1 9 Giovanna Musco . . . 19473 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'cis conformer' 19473 1 'PHD finger' 19473 1 Sp140 19473 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19473 _Assembly.ID 1 _Assembly.Name 'Sp140 PHD finger cis conformer' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PHD finger' 1 $Sp140_PHD_finger_cis_conformer A . yes native yes no . . . 19473 1 2 ZN1 2 $entity_ZN A . no native no no . . . 19473 1 3 ZN2 2 $entity_ZN A . no native no no . . . 19473 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 'metal coordination' single . 1 . 1 CYS 11 11 SG . 2 . 2 ZN 1 1 ZN . 'PHD finger' 11 CYS SG . ZN1 na na na 19473 1 2 'metal coordination' single . 1 . 1 CYS 14 14 SG . 2 . 2 ZN 1 1 ZN . 'PHD finger' 14 CYS SG . ZN1 na na na 19473 1 3 'metal coordination' single . 1 . 1 HIS 31 31 NE2 . 2 . 2 ZN 1 1 ZN . 'PHD finger' 31 HIS NE . ZN1 na na na 19473 1 4 'metal coordination' single . 1 . 1 HIS 35 35 NE2 . 2 . 2 ZN 1 1 ZN . 'PHD finger' 35 HIS NE . ZN1 na na na 19473 1 5 disulfide single . 1 . 1 CYS 22 22 SG . 1 . 1 CYS 34 34 SG . 'PHD finger' 22 CYS SG . 'PHD finger' 34 CYS SG 19473 1 6 'metal coordination' single . 1 . 1 CYS 23 23 SG . 3 . 2 ZN 1 1 ZN . 'PHD finger' 23 CYS SG . ZN2 na na na 19473 1 7 'metal coordination' single . 1 . 1 CYS 26 26 SG . 3 . 2 ZN 1 1 ZN . 'PHD finger' 26 CYS SG . ZN2 na na na 19473 1 8 'metal coordination' single . 1 . 1 CYS 48 48 SG . 3 . 2 ZN 1 1 ZN . 'PHD finger' 48 CYS SG . ZN2 na na na 19473 1 9 'metal coordination' single . 1 . 1 CYS 51 51 SG . 3 . 2 ZN 1 1 ZN . 'PHD finger' 51 CYS SG . ZN2 na na na 19473 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'binding to human PPIase PIN1' 19473 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Sp140_PHD_finger_cis_conformer _Entity.Sf_category entity _Entity.Sf_framecode Sp140_PHD_finger_cis_conformer _Entity.Entry_ID 19473 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Sp140_PHD_finger_cis_conformer _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 ; GAMGMRNLDECEVCRDGGEL FCCDTCSRVFHEDCHIPPVE AERTPWNCIFCRMKES ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 56 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'disulfide and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'PHD finger of human Sp140 protein' _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 2015-11-25 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 no BMRB 19472 . Sp140_PHD_finger_trans_conformer . . . . . 100.00 56 100.00 100.00 2.91e-32 . . . . 19473 1 2 no PDB 2MD7 . "Nmr Structure Of Human Sp140 Phd Finger Trans Conformer" . . . . . 100.00 56 100.00 100.00 2.91e-32 . . . . 19473 1 3 no PDB 2MD8 . "Nmr Structure Of Sp140 Phd Finger Cis Conformer" . . . . . 100.00 56 100.00 100.00 2.91e-32 . . . . 19473 1 4 no DBJ BAG62830 . "unnamed protein product [Homo sapiens]" . . . . . 92.86 768 100.00 100.00 6.24e-28 . . . . 19473 1 5 no GB AAB18617 . "LYSP100-B [Homo sapiens]" . . . . . 92.86 882 100.00 100.00 4.35e-28 . . . . 19473 1 6 no GB AAC50817 . "Sp140 protein [Homo sapiens]" . . . . . 92.86 753 100.00 100.00 4.34e-28 . . . . 19473 1 7 no GB AAI05744 . "SP140 protein [Homo sapiens]" . . . . . 92.86 807 100.00 100.00 4.76e-28 . . . . 19473 1 8 no GB AAI05745 . "SP140 protein [Homo sapiens]" . . . . . 92.86 807 100.00 100.00 4.95e-28 . . . . 19473 1 9 no GB AAI05961 . "SP140 protein [Homo sapiens]" . . . . . 92.86 840 100.00 100.00 4.36e-28 . . . . 19473 1 10 no REF NP_001265380 . "nuclear body protein SP140 isoform 3 [Homo sapiens]" . . . . . 92.86 840 100.00 100.00 4.36e-28 . . . . 19473 1 11 no REF NP_001265381 . "nuclear body protein SP140 isoform 4 [Homo sapiens]" . . . . . 92.86 807 100.00 100.00 4.71e-28 . . . . 19473 1 12 no REF NP_001265382 . "nuclear body protein SP140 isoform 5 [Homo sapiens]" . . . . . 92.86 753 100.00 100.00 5.18e-28 . . . . 19473 1 13 no REF NP_009168 . "nuclear body protein SP140 isoform 1 [Homo sapiens]" . . . . . 92.86 867 100.00 100.00 4.54e-28 . . . . 19473 1 14 no REF XP_003274775 . "PREDICTED: nuclear body protein SP140-like protein isoform X1 [Nomascus leucogenys]" . . . . . 92.86 580 98.08 100.00 6.68e-28 . . . . 19473 1 15 no SP Q13342 . "RecName: Full=Nuclear body protein SP140; AltName: Full=Lymphoid-restricted homolog of Sp100; Short=LYSp100; AltName: Full=Nucl" . . . . . 92.86 867 100.00 100.00 4.54e-28 . . . . 19473 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 . GLY . 19473 1 2 . ALA . 19473 1 3 . MET . 19473 1 4 . GLY . 19473 1 5 . MET . 19473 1 6 . ARG . 19473 1 7 . ASN . 19473 1 8 . LEU . 19473 1 9 . ASP . 19473 1 10 . GLU . 19473 1 11 . CYS . 19473 1 12 . GLU . 19473 1 13 . VAL . 19473 1 14 . CYS . 19473 1 15 . ARG . 19473 1 16 . ASP . 19473 1 17 . GLY . 19473 1 18 . GLY . 19473 1 19 . GLU . 19473 1 20 . LEU . 19473 1 21 . PHE . 19473 1 22 . CYS . 19473 1 23 . CYS . 19473 1 24 . ASP . 19473 1 25 . THR . 19473 1 26 . CYS . 19473 1 27 . SER . 19473 1 28 . ARG . 19473 1 29 . VAL . 19473 1 30 . PHE . 19473 1 31 . HIS . 19473 1 32 . GLU . 19473 1 33 . ASP . 19473 1 34 . CYS . 19473 1 35 . HIS . 19473 1 36 . ILE . 19473 1 37 . PRO . 19473 1 38 . PRO . 19473 1 39 . VAL . 19473 1 40 . GLU . 19473 1 41 . ALA . 19473 1 42 . GLU . 19473 1 43 . ARG . 19473 1 44 . THR . 19473 1 45 . PRO . 19473 1 46 . TRP . 19473 1 47 . ASN . 19473 1 48 . CYS . 19473 1 49 . ILE . 19473 1 50 . PHE . 19473 1 51 . CYS . 19473 1 52 . ARG . 19473 1 53 . MET . 19473 1 54 . LYS . 19473 1 55 . GLU . 19473 1 56 . SER . 19473 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 19473 1 . ALA 2 2 19473 1 . MET 3 3 19473 1 . GLY 4 4 19473 1 . MET 5 5 19473 1 . ARG 6 6 19473 1 . ASN 7 7 19473 1 . LEU 8 8 19473 1 . ASP 9 9 19473 1 . GLU 10 10 19473 1 . CYS 11 11 19473 1 . GLU 12 12 19473 1 . VAL 13 13 19473 1 . CYS 14 14 19473 1 . ARG 15 15 19473 1 . ASP 16 16 19473 1 . GLY 17 17 19473 1 . GLY 18 18 19473 1 . GLU 19 19 19473 1 . LEU 20 20 19473 1 . PHE 21 21 19473 1 . CYS 22 22 19473 1 . CYS 23 23 19473 1 . ASP 24 24 19473 1 . THR 25 25 19473 1 . CYS 26 26 19473 1 . SER 27 27 19473 1 . ARG 28 28 19473 1 . VAL 29 29 19473 1 . PHE 30 30 19473 1 . HIS 31 31 19473 1 . GLU 32 32 19473 1 . ASP 33 33 19473 1 . CYS 34 34 19473 1 . HIS 35 35 19473 1 . ILE 36 36 19473 1 . PRO 37 37 19473 1 . PRO 38 38 19473 1 . VAL 39 39 19473 1 . GLU 40 40 19473 1 . ALA 41 41 19473 1 . GLU 42 42 19473 1 . ARG 43 43 19473 1 . THR 44 44 19473 1 . PRO 45 45 19473 1 . TRP 46 46 19473 1 . ASN 47 47 19473 1 . CYS 48 48 19473 1 . ILE 49 49 19473 1 . PHE 50 50 19473 1 . CYS 51 51 19473 1 . ARG 52 52 19473 1 . MET 53 53 19473 1 . LYS 54 54 19473 1 . GLU 55 55 19473 1 . SER 56 56 19473 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 19473 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _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 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 19473 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 19473 2 ZN 'Three letter code' 19473 2 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 1 ZN $chem_comp_ZN 19473 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 19473 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 19473 _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 $Sp140_PHD_finger_cis_conformer . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . SP140 . . . . 19473 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 19473 _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 $Sp140_PHD_finger_cis_conformer . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pETM11 . . . . . . 19473 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 19473 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _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 Zn _Chem_comp.Formula_weight 65.409 _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 . _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 InChI=1S/Zn/q+2 InChI InChI 1.03 19473 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 19473 ZN [Zn++] SMILES CACTVS 3.341 19473 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 19473 ZN [Zn+2] SMILES ACDLabs 10.04 19473 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 19473 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19473 ZN 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 zinc 'SYSTEMATIC NAME' ACDLabs 10.04 19473 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19473 ZN 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 ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 19473 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19473 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Sp140 PHD finger' '[U-100% 13C; U-100% 15N]' . . 1 $Sp140_PHD_finger_cis_conformer . . 1 . . mM . . . . 19473 1 2 'sodium phosphate buffer pH 6.3' 'natural abundance' . . . . . . 20 . . mM . . . . 19473 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 19473 1 4 DTT 'natural abundance' . . . . . . 4 . . mM . . . . 19473 1 5 ZnCl2 'natural abundance' . . . . . . 50 . . uM . . . . 19473 1 6 DSS 'natural abundance' . . . . . . 0.3 . . mM . . . . 19473 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19473 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19473 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19473 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'Sp140 PHD finger' '[U-100% 13C; U-100% 15N]' . . 1 $Sp140_PHD_finger_cis_conformer . . 1 . . mM . . . . 19473 2 2 'sodium phosphate buffer pH 6.3' 'natural abundance' . . . . . . 20 . . mM . . . . 19473 2 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 19473 2 4 DTT 'natural abundance' . . . . . . 4 . . mM . . . . 19473 2 5 ZnCl2 'natural abundance' . . . . . . 50 . . uM . . . . 19473 2 6 DSS 'natural abundance' . . . . . . 0.3 . . mM . . . . 19473 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19473 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19473 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19473 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Sp140 PHD finger' '[U-100% 15N]' . . 1 $Sp140_PHD_finger_cis_conformer . . 1 . . mM . . . . 19473 3 2 'sodium phosphate buffer pH 6.3' 'natural abundance' . . . . . . 20 . . mM . . . . 19473 3 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 19473 3 4 DTT 'natural abundance' . . . . . . 4 . . mM . . . . 19473 3 5 ZnCl2 'natural abundance' . . . . . . 50 . . uM . . . . 19473 3 6 DSS 'natural abundance' . . . . . . 0.3 . . mM . . . . 19473 3 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19473 3 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19473 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 19473 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'Sp140 PHD finger' 'natural abundance' . . 1 $Sp140_PHD_finger_cis_conformer . . 1 . . mM . . . . 19473 4 2 'sodium phosphate buffer pH 6.3' 'natural abundance' . . . . . . 20 . . mM . . . . 19473 4 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 19473 4 4 DTT 'natural abundance' . . . . . . 4 . . mM . . . . 19473 4 5 ZnCl2 'natural abundance' . . . . . . 50 . . uM . . . . 19473 4 6 DSS 'natural abundance' . . . . . . 0.3 . . mM . . . . 19473 4 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19473 4 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19473 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 19473 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Sp140 PHD finger' 'natural abundance' . . 1 $Sp140_PHD_finger_cis_conformer . . 1 . . mM . . . . 19473 5 2 'sodium phosphate buffer pH 6.3' 'natural abundance' . . . . . . 20 . . mM . . . . 19473 5 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 19473 5 4 DTT 'natural abundance' . . . . . . 4 . . mM . . . . 19473 5 5 ZnCl2 'natural abundance' . . . . . . 50 . . uM . . . . 19473 5 6 DSS 'natural abundance' . . . . . . 0.3 . . mM . . . . 19473 5 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19473 5 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19473 5 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 19473 _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 6.3 . pH 19473 1 temperature 298 . K 19473 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19473 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19473 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19473 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19473 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19473 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19473 2 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 19473 _Software.ID 3 _Software.Name ANALYSIS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T. Stevens, R. Fogh, W. Boucher, J. Ionides, C. Spronk' . . 19473 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19473 3 'peak picking' 19473 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19473 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19473 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19473 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19473 1 2 spectrometer_2 Bruker Avance . 900 . . . 19473 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19473 _Experiment_list.ID 1 _Experiment_list.Details 'The structure was determined using a combination of NOE and residual dipolar coupling data' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19473 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19473 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19473 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19473 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19473 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19473 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19473 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19473 1 9 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19473 1 10 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19473 1 11 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19473 1 12 '3D HNHA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19473 1 13 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19473 1 14 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19473 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19473 1 16 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19473 1 17 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19473 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19473 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19473 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19473 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19473 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19473 _Assigned_chem_shift_list.ID 1 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19473 1 2 '2D 1H-13C HSQC' . . . 19473 1 3 '2D 1H-1H TOCSY' . . . 19473 1 4 '2D 1H-1H TOCSY' . . . 19473 1 5 '2D 1H-1H NOESY' . . . 19473 1 6 '2D 1H-1H NOESY' . . . 19473 1 7 '3D CBCA(CO)NH' . . . 19473 1 8 '3D C(CO)NH' . . . 19473 1 9 '3D HNCO' . . . 19473 1 10 '3D HNCA' . . . 19473 1 11 '3D HNCACB' . . . 19473 1 12 '3D H(CCO)NH' . . . 19473 1 13 '3D HCCH-TOCSY' . . . 19473 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 HA3 H 1 4.366 0.002 . 1 . . . . 1 Gly HA3 . 19473 1 2 . 1 1 1 1 GLY C C 13 175.865 0.000 . 1 . . . . 1 Gly C . 19473 1 3 . 1 1 1 1 GLY CA C 13 56.247 0.064 . 1 . . . . 1 Gly CA . 19473 1 4 . 1 1 2 2 ALA H H 1 8.412 0.002 . 1 . . . . 2 Ala H . 19473 1 5 . 1 1 2 2 ALA HA H 1 4.369 0.012 . 1 . . . . 2 Ala HA . 19473 1 6 . 1 1 2 2 ALA HB1 H 1 1.461 0.008 . 1 . . . . 2 Ala HB1 . 19473 1 7 . 1 1 2 2 ALA HB2 H 1 1.461 0.008 . 1 . . . . 2 Ala HB2 . 19473 1 8 . 1 1 2 2 ALA HB3 H 1 1.461 0.008 . 1 . . . . 2 Ala HB3 . 19473 1 9 . 1 1 2 2 ALA C C 13 177.984 0.000 . 1 . . . . 2 Ala C . 19473 1 10 . 1 1 2 2 ALA CA C 13 52.532 0.056 . 1 . . . . 2 Ala CA . 19473 1 11 . 1 1 2 2 ALA CB C 13 19.489 0.034 . 1 . . . . 2 Ala CB . 19473 1 12 . 1 1 2 2 ALA N N 15 126.848 0.032 . 1 . . . . 2 Ala N . 19473 1 13 . 1 1 3 3 MET H H 1 8.580 0.002 . 1 . . . . 3 Met H . 19473 1 14 . 1 1 3 3 MET HA H 1 4.532 0.012 . 1 . . . . 3 Met HA . 19473 1 15 . 1 1 3 3 MET HB2 H 1 2.103 0.034 . 2 . . . . 3 Met HB2 . 19473 1 16 . 1 1 3 3 MET HB3 H 1 2.091 0.024 . 2 . . . . 3 Met HB3 . 19473 1 17 . 1 1 3 3 MET HG2 H 1 2.651 0.022 . 2 . . . . 3 Met HG2 . 19473 1 18 . 1 1 3 3 MET HG3 H 1 2.605 0.012 . 2 . . . . 3 Met HG3 . 19473 1 19 . 1 1 3 3 MET C C 13 176.901 0.000 . 1 . . . . 3 Met C . 19473 1 20 . 1 1 3 3 MET CA C 13 55.644 0.033 . 1 . . . . 3 Met CA . 19473 1 21 . 1 1 3 3 MET CB C 13 32.952 0.057 . 1 . . . . 3 Met CB . 19473 1 22 . 1 1 3 3 MET N N 15 120.481 0.098 . 1 . . . . 3 Met N . 19473 1 23 . 1 1 4 4 GLY H H 1 8.559 0.004 . 1 . . . . 4 Gly H . 19473 1 24 . 1 1 4 4 GLY HA2 H 1 3.994 0.011 . 2 . . . . 4 Gly HA2 . 19473 1 25 . 1 1 4 4 GLY HA3 H 1 3.985 0.005 . 2 . . . . 4 Gly HA3 . 19473 1 26 . 1 1 4 4 GLY C C 13 174.026 0.000 . 1 . . . . 4 Gly C . 19473 1 27 . 1 1 4 4 GLY CA C 13 45.304 0.014 . 1 . . . . 4 Gly CA . 19473 1 28 . 1 1 4 4 GLY N N 15 110.838 0.022 . 1 . . . . 4 Gly N . 19473 1 29 . 1 1 5 5 MET H H 1 8.277 0.003 . 1 . . . . 5 Met H . 19473 1 30 . 1 1 5 5 MET HA H 1 4.545 0.005 . 1 . . . . 5 Met HA . 19473 1 31 . 1 1 5 5 MET HB2 H 1 2.079 0.010 . 2 . . . . 5 Met HB2 . 19473 1 32 . 1 1 5 5 MET HB3 H 1 2.130 0.012 . 2 . . . . 5 Met HB3 . 19473 1 33 . 1 1 5 5 MET HG2 H 1 2.655 0.015 . 2 . . . . 5 Met HG2 . 19473 1 34 . 1 1 5 5 MET HG3 H 1 2.611 0.011 . 2 . . . . 5 Met HG3 . 19473 1 35 . 1 1 5 5 MET C C 13 176.221 0.000 . 1 . . . . 5 Met C . 19473 1 36 . 1 1 5 5 MET CA C 13 55.410 0.015 . 1 . . . . 5 Met CA . 19473 1 37 . 1 1 5 5 MET CB C 13 32.973 0.019 . 1 . . . . 5 Met CB . 19473 1 38 . 1 1 5 5 MET N N 15 120.597 0.021 . 1 . . . . 5 Met N . 19473 1 39 . 1 1 6 6 ARG H H 1 8.488 0.004 . 1 . . . . 6 Arg H . 19473 1 40 . 1 1 6 6 ARG HA H 1 4.439 0.008 . 1 . . . . 6 Arg HA . 19473 1 41 . 1 1 6 6 ARG HB2 H 1 1.846 0.006 . 2 . . . . 6 Arg HB2 . 19473 1 42 . 1 1 6 6 ARG HB3 H 1 1.847 0.007 . 2 . . . . 6 Arg HB3 . 19473 1 43 . 1 1 6 6 ARG HG2 H 1 1.724 0.012 . 2 . . . . 6 Arg HG2 . 19473 1 44 . 1 1 6 6 ARG HG3 H 1 1.719 0.014 . 2 . . . . 6 Arg HG3 . 19473 1 45 . 1 1 6 6 ARG HD2 H 1 3.266 0.007 . 2 . . . . 6 Arg HD2 . 19473 1 46 . 1 1 6 6 ARG HD3 H 1 3.267 0.007 . 2 . . . . 6 Arg HD3 . 19473 1 47 . 1 1 6 6 ARG C C 13 175.812 0.000 . 1 . . . . 6 Arg C . 19473 1 48 . 1 1 6 6 ARG CA C 13 56.321 0.048 . 1 . . . . 6 Arg CA . 19473 1 49 . 1 1 6 6 ARG CB C 13 31.036 0.030 . 1 . . . . 6 Arg CB . 19473 1 50 . 1 1 6 6 ARG N N 15 122.923 0.079 . 1 . . . . 6 Arg N . 19473 1 51 . 1 1 7 7 ASN H H 1 8.655 0.005 . 1 . . . . 7 Asn H . 19473 1 52 . 1 1 7 7 ASN HA H 1 4.806 0.013 . 1 . . . . 7 Asn HA . 19473 1 53 . 1 1 7 7 ASN HB2 H 1 2.726 0.011 . 2 . . . . 7 Asn HB2 . 19473 1 54 . 1 1 7 7 ASN HB3 H 1 2.906 0.006 . 2 . . . . 7 Asn HB3 . 19473 1 55 . 1 1 7 7 ASN HD21 H 1 7.030 0.004 . 1 . . . . 7 Asn HD21 . 19473 1 56 . 1 1 7 7 ASN HD22 H 1 7.644 0.001 . 1 . . . . 7 Asn HD22 . 19473 1 57 . 1 1 7 7 ASN C C 13 175.326 0.000 . 1 . . . . 7 Asn C . 19473 1 58 . 1 1 7 7 ASN CA C 13 52.922 0.033 . 1 . . . . 7 Asn CA . 19473 1 59 . 1 1 7 7 ASN CB C 13 38.658 0.031 . 1 . . . . 7 Asn CB . 19473 1 60 . 1 1 7 7 ASN N N 15 121.334 0.080 . 1 . . . . 7 Asn N . 19473 1 61 . 1 1 8 8 LEU H H 1 8.424 0.003 . 1 . . . . 8 Leu H . 19473 1 62 . 1 1 8 8 LEU HA H 1 4.179 0.010 . 1 . . . . 8 Leu HA . 19473 1 63 . 1 1 8 8 LEU HB2 H 1 1.649 0.017 . 2 . . . . 8 Leu HB2 . 19473 1 64 . 1 1 8 8 LEU HB3 H 1 1.610 0.027 . 2 . . . . 8 Leu HB3 . 19473 1 65 . 1 1 8 8 LEU HG H 1 1.617 0.013 . 1 . . . . 8 Leu HG . 19473 1 66 . 1 1 8 8 LEU HD11 H 1 0.834 0.013 . 2 . . . . 8 Leu HD11 . 19473 1 67 . 1 1 8 8 LEU HD12 H 1 0.834 0.013 . 2 . . . . 8 Leu HD12 . 19473 1 68 . 1 1 8 8 LEU HD13 H 1 0.834 0.013 . 2 . . . . 8 Leu HD13 . 19473 1 69 . 1 1 8 8 LEU HD21 H 1 0.914 0.009 . 2 . . . . 8 Leu HD21 . 19473 1 70 . 1 1 8 8 LEU HD22 H 1 0.914 0.009 . 2 . . . . 8 Leu HD22 . 19473 1 71 . 1 1 8 8 LEU HD23 H 1 0.914 0.009 . 2 . . . . 8 Leu HD23 . 19473 1 72 . 1 1 8 8 LEU CA C 13 56.236 0.018 . 1 . . . . 8 Leu CA . 19473 1 73 . 1 1 8 8 LEU CB C 13 41.820 0.029 . 1 . . . . 8 Leu CB . 19473 1 74 . 1 1 8 8 LEU N N 15 123.548 0.057 . 1 . . . . 8 Leu N . 19473 1 75 . 1 1 9 9 ASP H H 1 8.299 0.002 . 1 . . . . 9 Asp H . 19473 1 76 . 1 1 9 9 ASP HA H 1 4.505 0.007 . 1 . . . . 9 Asp HA . 19473 1 77 . 1 1 9 9 ASP HB2 H 1 2.685 0.010 . 2 . . . . 9 Asp HB2 . 19473 1 78 . 1 1 9 9 ASP HB3 H 1 2.694 0.011 . 2 . . . . 9 Asp HB3 . 19473 1 79 . 1 1 9 9 ASP C C 13 176.739 0.000 . 1 . . . . 9 Asp C . 19473 1 80 . 1 1 9 9 ASP CA C 13 55.550 0.035 . 1 . . . . 9 Asp CA . 19473 1 81 . 1 1 9 9 ASP CB C 13 40.864 0.019 . 1 . . . . 9 Asp CB . 19473 1 82 . 1 1 9 9 ASP N N 15 119.761 0.033 . 1 . . . . 9 Asp N . 19473 1 83 . 1 1 10 10 GLU H H 1 7.856 0.005 . 1 . . . . 10 Glu H . 19473 1 84 . 1 1 10 10 GLU HA H 1 4.350 0.011 . 1 . . . . 10 Glu HA . 19473 1 85 . 1 1 10 10 GLU HB2 H 1 2.161 0.016 . 2 . . . . 10 Glu HB2 . 19473 1 86 . 1 1 10 10 GLU HB3 H 1 2.148 0.011 . 2 . . . . 10 Glu HB3 . 19473 1 87 . 1 1 10 10 GLU HG2 H 1 1.904 0.004 . 2 . . . . 10 Glu HG2 . 19473 1 88 . 1 1 10 10 GLU HG3 H 1 1.902 0.006 . 2 . . . . 10 Glu HG3 . 19473 1 89 . 1 1 10 10 GLU C C 13 175.546 0.000 . 1 . . . . 10 Glu C . 19473 1 90 . 1 1 10 10 GLU CA C 13 56.141 0.021 . 1 . . . . 10 Glu CA . 19473 1 91 . 1 1 10 10 GLU CB C 13 30.733 0.019 . 1 . . . . 10 Glu CB . 19473 1 92 . 1 1 10 10 GLU N N 15 118.270 0.030 . 1 . . . . 10 Glu N . 19473 1 93 . 1 1 11 11 CYS H H 1 7.895 0.006 . 1 . . . . 11 Cys H . 19473 1 94 . 1 1 11 11 CYS HA H 1 4.616 0.004 . 1 . . . . 11 Cys HA . 19473 1 95 . 1 1 11 11 CYS HB2 H 1 3.159 0.010 . 2 . . . . 11 Cys HB2 . 19473 1 96 . 1 1 11 11 CYS HB3 H 1 2.974 0.007 . 2 . . . . 11 Cys HB3 . 19473 1 97 . 1 1 11 11 CYS C C 13 176.541 0.000 . 1 . . . . 11 Cys C . 19473 1 98 . 1 1 11 11 CYS CA C 13 58.652 0.021 . 1 . . . . 11 Cys CA . 19473 1 99 . 1 1 11 11 CYS CB C 13 29.237 0.044 . 1 . . . . 11 Cys CB . 19473 1 100 . 1 1 11 11 CYS N N 15 123.172 0.043 . 1 . . . . 11 Cys N . 19473 1 101 . 1 1 12 12 GLU H H 1 9.516 0.003 . 1 . . . . 12 Glu H . 19473 1 102 . 1 1 12 12 GLU HA H 1 3.951 0.004 . 1 . . . . 12 Glu HA . 19473 1 103 . 1 1 12 12 GLU HB2 H 1 2.132 0.014 . 2 . . . . 12 Glu HB2 . 19473 1 104 . 1 1 12 12 GLU HB3 H 1 2.121 0.013 . 2 . . . . 12 Glu HB3 . 19473 1 105 . 1 1 12 12 GLU HG2 H 1 2.383 0.011 . 2 . . . . 12 Glu HG2 . 19473 1 106 . 1 1 12 12 GLU HG3 H 1 2.420 0.015 . 2 . . . . 12 Glu HG3 . 19473 1 107 . 1 1 12 12 GLU C C 13 177.203 0.000 . 1 . . . . 12 Glu C . 19473 1 108 . 1 1 12 12 GLU CA C 13 59.486 0.039 . 1 . . . . 12 Glu CA . 19473 1 109 . 1 1 12 12 GLU CB C 13 29.641 0.021 . 1 . . . . 12 Glu CB . 19473 1 110 . 1 1 12 12 GLU N N 15 131.989 0.041 . 1 . . . . 12 Glu N . 19473 1 111 . 1 1 13 13 VAL H H 1 8.091 0.004 . 1 . . . . 13 Val H . 19473 1 112 . 1 1 13 13 VAL HA H 1 3.753 0.008 . 1 . . . . 13 Val HA . 19473 1 113 . 1 1 13 13 VAL HB H 1 1.219 0.011 . 1 . . . . 13 Val HB . 19473 1 114 . 1 1 13 13 VAL HG11 H 1 0.955 0.005 . 2 . . . . 13 Val HG11 . 19473 1 115 . 1 1 13 13 VAL HG12 H 1 0.955 0.005 . 2 . . . . 13 Val HG12 . 19473 1 116 . 1 1 13 13 VAL HG13 H 1 0.955 0.005 . 2 . . . . 13 Val HG13 . 19473 1 117 . 1 1 13 13 VAL HG21 H 1 0.401 0.003 . 2 . . . . 13 Val HG21 . 19473 1 118 . 1 1 13 13 VAL HG22 H 1 0.401 0.003 . 2 . . . . 13 Val HG22 . 19473 1 119 . 1 1 13 13 VAL HG23 H 1 0.401 0.003 . 2 . . . . 13 Val HG23 . 19473 1 120 . 1 1 13 13 VAL C C 13 180.331 0.000 . 1 . . . . 13 Val C . 19473 1 121 . 1 1 13 13 VAL CA C 13 66.055 0.014 . 1 . . . . 13 Val CA . 19473 1 122 . 1 1 13 13 VAL CB C 13 32.170 0.042 . 1 . . . . 13 Val CB . 19473 1 123 . 1 1 13 13 VAL N N 15 123.125 0.018 . 1 . . . . 13 Val N . 19473 1 124 . 1 1 14 14 CYS H H 1 9.127 0.002 . 1 . . . . 14 Cys H . 19473 1 125 . 1 1 14 14 CYS HA H 1 4.208 0.005 . 1 . . . . 14 Cys HA . 19473 1 126 . 1 1 14 14 CYS HB2 H 1 3.177 0.009 . 2 . . . . 14 Cys HB2 . 19473 1 127 . 1 1 14 14 CYS HB3 H 1 2.992 0.013 . 2 . . . . 14 Cys HB3 . 19473 1 128 . 1 1 14 14 CYS C C 13 179.874 0.000 . 1 . . . . 14 Cys C . 19473 1 129 . 1 1 14 14 CYS CA C 13 66.240 0.030 . 1 . . . . 14 Cys CA . 19473 1 130 . 1 1 14 14 CYS CB C 13 28.719 0.056 . 1 . . . . 14 Cys CB . 19473 1 131 . 1 1 14 14 CYS N N 15 125.679 0.026 . 1 . . . . 14 Cys N . 19473 1 132 . 1 1 15 15 ARG H H 1 8.074 0.004 . 1 . . . . 15 Arg H . 19473 1 133 . 1 1 15 15 ARG HA H 1 4.027 0.011 . 1 . . . . 15 Arg HA . 19473 1 134 . 1 1 15 15 ARG HB2 H 1 2.029 0.007 . 2 . . . . 15 Arg HB2 . 19473 1 135 . 1 1 15 15 ARG HB3 H 1 2.029 0.006 . 2 . . . . 15 Arg HB3 . 19473 1 136 . 1 1 15 15 ARG HG2 H 1 1.648 0.007 . 2 . . . . 15 Arg HG2 . 19473 1 137 . 1 1 15 15 ARG HG3 H 1 1.916 0.006 . 2 . . . . 15 Arg HG3 . 19473 1 138 . 1 1 15 15 ARG HD2 H 1 3.287 0.017 . 2 . . . . 15 Arg HD2 . 19473 1 139 . 1 1 15 15 ARG HD3 H 1 3.287 0.015 . 2 . . . . 15 Arg HD3 . 19473 1 140 . 1 1 15 15 ARG HE H 1 7.389 0.002 . 1 . . . . 15 Arg HE . 19473 1 141 . 1 1 15 15 ARG C C 13 177.657 0.000 . 1 . . . . 15 Arg C . 19473 1 142 . 1 1 15 15 ARG CA C 13 59.669 0.026 . 1 . . . . 15 Arg CA . 19473 1 143 . 1 1 15 15 ARG CB C 13 29.972 0.013 . 1 . . . . 15 Arg CB . 19473 1 144 . 1 1 15 15 ARG N N 15 122.006 0.073 . 1 . . . . 15 Arg N . 19473 1 145 . 1 1 15 15 ARG NE N 15 85.195 0.024 . 1 . . . . 15 Arg NE . 19473 1 146 . 1 1 16 16 ASP H H 1 7.562 0.005 . 1 . . . . 16 Asp H . 19473 1 147 . 1 1 16 16 ASP HA H 1 4.823 0.010 . 1 . . . . 16 Asp HA . 19473 1 148 . 1 1 16 16 ASP HB2 H 1 2.740 0.006 . 2 . . . . 16 Asp HB2 . 19473 1 149 . 1 1 16 16 ASP HB3 H 1 2.963 0.010 . 2 . . . . 16 Asp HB3 . 19473 1 150 . 1 1 16 16 ASP C C 13 176.502 0.000 . 1 . . . . 16 Asp C . 19473 1 151 . 1 1 16 16 ASP CA C 13 54.349 0.021 . 1 . . . . 16 Asp CA . 19473 1 152 . 1 1 16 16 ASP CB C 13 40.757 0.012 . 1 . . . . 16 Asp CB . 19473 1 153 . 1 1 16 16 ASP N N 15 117.964 0.025 . 1 . . . . 16 Asp N . 19473 1 154 . 1 1 17 17 GLY H H 1 7.933 0.007 . 1 . . . . 17 Gly H . 19473 1 155 . 1 1 17 17 GLY HA2 H 1 3.856 0.014 . 2 . . . . 17 Gly HA2 . 19473 1 156 . 1 1 17 17 GLY HA3 H 1 4.268 0.003 . 2 . . . . 17 Gly HA3 . 19473 1 157 . 1 1 17 17 GLY C C 13 175.569 0.000 . 1 . . . . 17 Gly C . 19473 1 158 . 1 1 17 17 GLY CA C 13 45.673 0.007 . 1 . . . . 17 Gly CA . 19473 1 159 . 1 1 17 17 GLY N N 15 108.524 0.049 . 1 . . . . 17 Gly N . 19473 1 160 . 1 1 18 18 GLY H H 1 8.548 0.003 . 1 . . . . 18 Gly H . 19473 1 161 . 1 1 18 18 GLY HA2 H 1 4.084 0.003 . 2 . . . . 18 Gly HA2 . 19473 1 162 . 1 1 18 18 GLY HA3 H 1 3.424 0.006 . 2 . . . . 18 Gly HA3 . 19473 1 163 . 1 1 18 18 GLY C C 13 173.675 0.000 . 1 . . . . 18 Gly C . 19473 1 164 . 1 1 18 18 GLY CA C 13 45.786 0.010 . 1 . . . . 18 Gly CA . 19473 1 165 . 1 1 18 18 GLY N N 15 110.089 0.042 . 1 . . . . 18 Gly N . 19473 1 166 . 1 1 19 19 GLU H H 1 8.734 0.002 . 1 . . . . 19 Glu H . 19473 1 167 . 1 1 19 19 GLU HA H 1 4.157 0.003 . 1 . . . . 19 Glu HA . 19473 1 168 . 1 1 19 19 GLU HB2 H 1 1.644 0.006 . 2 . . . . 19 Glu HB2 . 19473 1 169 . 1 1 19 19 GLU HB3 H 1 1.920 0.005 . 2 . . . . 19 Glu HB3 . 19473 1 170 . 1 1 19 19 GLU HG2 H 1 2.166 0.004 . 2 . . . . 19 Glu HG2 . 19473 1 171 . 1 1 19 19 GLU HG3 H 1 1.916 0.004 . 2 . . . . 19 Glu HG3 . 19473 1 172 . 1 1 19 19 GLU C C 13 176.228 0.000 . 1 . . . . 19 Glu C . 19473 1 173 . 1 1 19 19 GLU CA C 13 56.982 0.012 . 1 . . . . 19 Glu CA . 19473 1 174 . 1 1 19 19 GLU CB C 13 31.338 0.031 . 1 . . . . 19 Glu CB . 19473 1 175 . 1 1 19 19 GLU N N 15 125.040 0.049 . 1 . . . . 19 Glu N . 19473 1 176 . 1 1 20 20 LEU H H 1 8.532 0.007 . 1 . . . . 20 Leu H . 19473 1 177 . 1 1 20 20 LEU HA H 1 4.498 0.006 . 1 . . . . 20 Leu HA . 19473 1 178 . 1 1 20 20 LEU HB2 H 1 1.658 0.006 . 2 . . . . 20 Leu HB2 . 19473 1 179 . 1 1 20 20 LEU HB3 H 1 1.333 0.015 . 2 . . . . 20 Leu HB3 . 19473 1 180 . 1 1 20 20 LEU HG H 1 1.299 0.021 . 1 . . . . 20 Leu HG . 19473 1 181 . 1 1 20 20 LEU HD11 H 1 0.651 0.004 . 2 . . . . 20 Leu HD11 . 19473 1 182 . 1 1 20 20 LEU HD12 H 1 0.651 0.004 . 2 . . . . 20 Leu HD12 . 19473 1 183 . 1 1 20 20 LEU HD13 H 1 0.651 0.004 . 2 . . . . 20 Leu HD13 . 19473 1 184 . 1 1 20 20 LEU HD21 H 1 0.087 0.009 . 2 . . . . 20 Leu HD21 . 19473 1 185 . 1 1 20 20 LEU HD22 H 1 0.087 0.009 . 2 . . . . 20 Leu HD22 . 19473 1 186 . 1 1 20 20 LEU HD23 H 1 0.087 0.009 . 2 . . . . 20 Leu HD23 . 19473 1 187 . 1 1 20 20 LEU C C 13 176.799 0.000 . 1 . . . . 20 Leu C . 19473 1 188 . 1 1 20 20 LEU CA C 13 53.358 0.041 . 1 . . . . 20 Leu CA . 19473 1 189 . 1 1 20 20 LEU CB C 13 45.743 0.028 . 1 . . . . 20 Leu CB . 19473 1 190 . 1 1 20 20 LEU N N 15 124.732 0.057 . 1 . . . . 20 Leu N . 19473 1 191 . 1 1 21 21 PHE H H 1 8.833 0.004 . 1 . . . . 21 Phe H . 19473 1 192 . 1 1 21 21 PHE HA H 1 4.647 0.006 . 1 . . . . 21 Phe HA . 19473 1 193 . 1 1 21 21 PHE HB2 H 1 3.522 0.017 . 2 . . . . 21 Phe HB2 . 19473 1 194 . 1 1 21 21 PHE HB3 H 1 2.680 0.002 . 2 . . . . 21 Phe HB3 . 19473 1 195 . 1 1 21 21 PHE HD1 H 1 7.105 0.011 . 3 . . . . 21 Phe HD1 . 19473 1 196 . 1 1 21 21 PHE HD2 H 1 7.105 0.011 . 3 . . . . 21 Phe HD2 . 19473 1 197 . 1 1 21 21 PHE HE1 H 1 7.336 0.004 . 3 . . . . 21 Phe HE1 . 19473 1 198 . 1 1 21 21 PHE HE2 H 1 7.336 0.004 . 3 . . . . 21 Phe HE2 . 19473 1 199 . 1 1 21 21 PHE HZ H 1 7.245 0.012 . 1 . . . . 21 Phe HZ . 19473 1 200 . 1 1 21 21 PHE C C 13 173.681 0.000 . 1 . . . . 21 Phe C . 19473 1 201 . 1 1 21 21 PHE CA C 13 57.733 0.064 . 1 . . . . 21 Phe CA . 19473 1 202 . 1 1 21 21 PHE CB C 13 38.281 0.016 . 1 . . . . 21 Phe CB . 19473 1 203 . 1 1 21 21 PHE N N 15 123.079 0.045 . 1 . . . . 21 Phe N . 19473 1 204 . 1 1 22 22 CYS H H 1 6.899 0.003 . 1 . . . . 22 Cys H . 19473 1 205 . 1 1 22 22 CYS HA H 1 6.050 0.010 . 1 . . . . 22 Cys HA . 19473 1 206 . 1 1 22 22 CYS HB2 H 1 4.274 0.009 . 2 . . . . 22 Cys HB2 . 19473 1 207 . 1 1 22 22 CYS HB3 H 1 2.670 0.008 . 2 . . . . 22 Cys HB3 . 19473 1 208 . 1 1 22 22 CYS C C 13 173.741 0.000 . 1 . . . . 22 Cys C . 19473 1 209 . 1 1 22 22 CYS CA C 13 52.376 0.004 . 1 . . . . 22 Cys CA . 19473 1 210 . 1 1 22 22 CYS CB C 13 50.955 0.024 . 1 . . . . 22 Cys CB . 19473 1 211 . 1 1 22 22 CYS N N 15 113.568 0.041 . 1 . . . . 22 Cys N . 19473 1 212 . 1 1 23 23 CYS H H 1 9.642 0.004 . 1 . . . . 23 Cys H . 19473 1 213 . 1 1 23 23 CYS HA H 1 5.060 0.008 . 1 . . . . 23 Cys HA . 19473 1 214 . 1 1 23 23 CYS HB2 H 1 3.254 0.007 . 2 . . . . 23 Cys HB2 . 19473 1 215 . 1 1 23 23 CYS HB3 H 1 3.677 0.008 . 2 . . . . 23 Cys HB3 . 19473 1 216 . 1 1 23 23 CYS C C 13 175.487 0.000 . 1 . . . . 23 Cys C . 19473 1 217 . 1 1 23 23 CYS CA C 13 58.376 0.022 . 1 . . . . 23 Cys CA . 19473 1 218 . 1 1 23 23 CYS CB C 13 31.383 0.017 . 1 . . . . 23 Cys CB . 19473 1 219 . 1 1 23 23 CYS N N 15 119.782 0.021 . 1 . . . . 23 Cys N . 19473 1 220 . 1 1 24 24 ASP H H 1 8.949 0.009 . 1 . . . . 24 Asp H . 19473 1 221 . 1 1 24 24 ASP HA H 1 4.349 0.011 . 1 . . . . 24 Asp HA . 19473 1 222 . 1 1 24 24 ASP HB2 H 1 2.782 0.013 . 2 . . . . 24 Asp HB2 . 19473 1 223 . 1 1 24 24 ASP HB3 H 1 2.793 0.010 . 2 . . . . 24 Asp HB3 . 19473 1 224 . 1 1 24 24 ASP C C 13 178.262 0.000 . 1 . . . . 24 Asp C . 19473 1 225 . 1 1 24 24 ASP CA C 13 58.127 0.015 . 1 . . . . 24 Asp CA . 19473 1 226 . 1 1 24 24 ASP CB C 13 40.996 0.024 . 1 . . . . 24 Asp CB . 19473 1 227 . 1 1 24 24 ASP N N 15 120.166 0.026 . 1 . . . . 24 Asp N . 19473 1 228 . 1 1 25 25 THR H H 1 8.261 0.003 . 1 . . . . 25 Thr H . 19473 1 229 . 1 1 25 25 THR HA H 1 4.048 0.001 . 1 . . . . 25 Thr HA . 19473 1 230 . 1 1 25 25 THR HB H 1 4.431 0.005 . 1 . . . . 25 Thr HB . 19473 1 231 . 1 1 25 25 THR HG21 H 1 1.271 0.002 . 1 . . . . 25 Thr HG21 . 19473 1 232 . 1 1 25 25 THR HG22 H 1 1.271 0.002 . 1 . . . . 25 Thr HG22 . 19473 1 233 . 1 1 25 25 THR HG23 H 1 1.271 0.002 . 1 . . . . 25 Thr HG23 . 19473 1 234 . 1 1 25 25 THR C C 13 177.392 0.000 . 1 . . . . 25 Thr C . 19473 1 235 . 1 1 25 25 THR CA C 13 66.751 0.023 . 1 . . . . 25 Thr CA . 19473 1 236 . 1 1 25 25 THR CB C 13 68.592 0.021 . 1 . . . . 25 Thr CB . 19473 1 237 . 1 1 25 25 THR N N 15 116.950 0.033 . 1 . . . . 25 Thr N . 19473 1 238 . 1 1 26 26 CYS H H 1 9.039 0.008 . 1 . . . . 26 Cys H . 19473 1 239 . 1 1 26 26 CYS HA H 1 3.966 0.005 . 1 . . . . 26 Cys HA . 19473 1 240 . 1 1 26 26 CYS HB2 H 1 3.284 0.014 . 2 . . . . 26 Cys HB2 . 19473 1 241 . 1 1 26 26 CYS HB3 H 1 3.263 0.010 . 2 . . . . 26 Cys HB3 . 19473 1 242 . 1 1 26 26 CYS C C 13 177.812 0.000 . 1 . . . . 26 Cys C . 19473 1 243 . 1 1 26 26 CYS CA C 13 65.183 0.023 . 1 . . . . 26 Cys CA . 19473 1 244 . 1 1 26 26 CYS CB C 13 30.515 0.031 . 1 . . . . 26 Cys CB . 19473 1 245 . 1 1 26 26 CYS N N 15 127.681 0.038 . 1 . . . . 26 Cys N . 19473 1 246 . 1 1 27 27 SER H H 1 8.739 0.003 . 1 . . . . 27 Ser H . 19473 1 247 . 1 1 27 27 SER HA H 1 4.334 0.007 . 1 . . . . 27 Ser HA . 19473 1 248 . 1 1 27 27 SER HB2 H 1 3.982 0.007 . 2 . . . . 27 Ser HB2 . 19473 1 249 . 1 1 27 27 SER HB3 H 1 3.980 0.007 . 2 . . . . 27 Ser HB3 . 19473 1 250 . 1 1 27 27 SER C C 13 174.886 0.000 . 1 . . . . 27 Ser C . 19473 1 251 . 1 1 27 27 SER CA C 13 61.525 0.018 . 1 . . . . 27 Ser CA . 19473 1 252 . 1 1 27 27 SER CB C 13 63.240 0.015 . 1 . . . . 27 Ser CB . 19473 1 253 . 1 1 27 27 SER N N 15 113.441 0.051 . 1 . . . . 27 Ser N . 19473 1 254 . 1 1 28 28 ARG H H 1 7.165 0.004 . 1 . . . . 28 Arg H . 19473 1 255 . 1 1 28 28 ARG HA H 1 4.420 0.008 . 1 . . . . 28 Arg HA . 19473 1 256 . 1 1 28 28 ARG HB2 H 1 1.930 0.009 . 2 . . . . 28 Arg HB2 . 19473 1 257 . 1 1 28 28 ARG HB3 H 1 2.038 0.002 . 2 . . . . 28 Arg HB3 . 19473 1 258 . 1 1 28 28 ARG HG2 H 1 1.730 0.002 . 2 . . . . 28 Arg HG2 . 19473 1 259 . 1 1 28 28 ARG HG3 H 1 1.730 0.009 . 2 . . . . 28 Arg HG3 . 19473 1 260 . 1 1 28 28 ARG HD2 H 1 3.267 0.009 . 2 . . . . 28 Arg HD2 . 19473 1 261 . 1 1 28 28 ARG HD3 H 1 3.265 0.010 . 2 . . . . 28 Arg HD3 . 19473 1 262 . 1 1 28 28 ARG C C 13 177.480 0.000 . 1 . . . . 28 Arg C . 19473 1 263 . 1 1 28 28 ARG CA C 13 57.562 0.027 . 1 . . . . 28 Arg CA . 19473 1 264 . 1 1 28 28 ARG CB C 13 30.618 0.020 . 1 . . . . 28 Arg CB . 19473 1 265 . 1 1 28 28 ARG N N 15 116.951 0.072 . 1 . . . . 28 Arg N . 19473 1 266 . 1 1 29 29 VAL H H 1 7.180 0.004 . 1 . . . . 29 Val H . 19473 1 267 . 1 1 29 29 VAL HA H 1 3.955 0.007 . 1 . . . . 29 Val HA . 19473 1 268 . 1 1 29 29 VAL HB H 1 1.498 0.007 . 1 . . . . 29 Val HB . 19473 1 269 . 1 1 29 29 VAL HG11 H 1 0.669 0.006 . 2 . . . . 29 Val HG11 . 19473 1 270 . 1 1 29 29 VAL HG12 H 1 0.669 0.006 . 2 . . . . 29 Val HG12 . 19473 1 271 . 1 1 29 29 VAL HG13 H 1 0.669 0.006 . 2 . . . . 29 Val HG13 . 19473 1 272 . 1 1 29 29 VAL HG21 H 1 0.212 0.004 . 2 . . . . 29 Val HG21 . 19473 1 273 . 1 1 29 29 VAL HG22 H 1 0.212 0.004 . 2 . . . . 29 Val HG22 . 19473 1 274 . 1 1 29 29 VAL HG23 H 1 0.212 0.004 . 2 . . . . 29 Val HG23 . 19473 1 275 . 1 1 29 29 VAL C C 13 176.065 0.000 . 1 . . . . 29 Val C . 19473 1 276 . 1 1 29 29 VAL CA C 13 63.842 0.050 . 1 . . . . 29 Val CA . 19473 1 277 . 1 1 29 29 VAL CB C 13 33.305 0.028 . 1 . . . . 29 Val CB . 19473 1 278 . 1 1 29 29 VAL N N 15 117.437 0.063 . 1 . . . . 29 Val N . 19473 1 279 . 1 1 30 30 PHE H H 1 8.142 0.012 . 1 . . . . 30 Phe H . 19473 1 280 . 1 1 30 30 PHE HA H 1 5.172 0.017 . 1 . . . . 30 Phe HA . 19473 1 281 . 1 1 30 30 PHE HB2 H 1 2.548 0.018 . 2 . . . . 30 Phe HB2 . 19473 1 282 . 1 1 30 30 PHE HB3 H 1 3.147 0.011 . 2 . . . . 30 Phe HB3 . 19473 1 283 . 1 1 30 30 PHE HD1 H 1 6.838 0.006 . 3 . . . . 30 Phe HD1 . 19473 1 284 . 1 1 30 30 PHE HD2 H 1 6.838 0.006 . 3 . . . . 30 Phe HD2 . 19473 1 285 . 1 1 30 30 PHE HE1 H 1 7.157 0.006 . 3 . . . . 30 Phe HE1 . 19473 1 286 . 1 1 30 30 PHE HE2 H 1 7.157 0.006 . 3 . . . . 30 Phe HE2 . 19473 1 287 . 1 1 30 30 PHE HZ H 1 7.144 0.010 . 1 . . . . 30 Phe HZ . 19473 1 288 . 1 1 30 30 PHE C C 13 176.539 0.000 . 1 . . . . 30 Phe C . 19473 1 289 . 1 1 30 30 PHE CA C 13 54.799 0.018 . 1 . . . . 30 Phe CA . 19473 1 290 . 1 1 30 30 PHE CB C 13 39.378 0.037 . 1 . . . . 30 Phe CB . 19473 1 291 . 1 1 30 30 PHE N N 15 123.211 0.038 . 1 . . . . 30 Phe N . 19473 1 292 . 1 1 31 31 HIS H H 1 7.685 0.007 . 1 . . . . 31 His H . 19473 1 293 . 1 1 31 31 HIS HA H 1 3.736 0.005 . 1 . . . . 31 His HA . 19473 1 294 . 1 1 31 31 HIS HB2 H 1 3.147 0.004 . 2 . . . . 31 His HB2 . 19473 1 295 . 1 1 31 31 HIS HB3 H 1 3.498 0.007 . 2 . . . . 31 His HB3 . 19473 1 296 . 1 1 31 31 HIS HD1 H 1 11.622 0.005 . 1 . . . . 31 His HD1 . 19473 1 297 . 1 1 31 31 HIS HD2 H 1 7.204 0.006 . 1 . . . . 31 His HD2 . 19473 1 298 . 1 1 31 31 HIS HE1 H 1 7.677 0.004 . 1 . . . . 31 His HE1 . 19473 1 299 . 1 1 31 31 HIS C C 13 176.486 0.000 . 1 . . . . 31 His C . 19473 1 300 . 1 1 31 31 HIS CA C 13 63.365 0.042 . 1 . . . . 31 His CA . 19473 1 301 . 1 1 31 31 HIS CB C 13 29.477 0.030 . 1 . . . . 31 His CB . 19473 1 302 . 1 1 31 31 HIS N N 15 119.888 0.028 . 1 . . . . 31 His N . 19473 1 303 . 1 1 32 32 GLU H H 1 8.764 0.003 . 1 . . . . 32 Glu H . 19473 1 304 . 1 1 32 32 GLU HA H 1 4.188 0.005 . 1 . . . . 32 Glu HA . 19473 1 305 . 1 1 32 32 GLU HB2 H 1 2.235 0.010 . 2 . . . . 32 Glu HB2 . 19473 1 306 . 1 1 32 32 GLU HB3 H 1 2.212 0.010 . 2 . . . . 32 Glu HB3 . 19473 1 307 . 1 1 32 32 GLU HG2 H 1 2.561 0.007 . 2 . . . . 32 Glu HG2 . 19473 1 308 . 1 1 32 32 GLU HG3 H 1 2.561 0.009 . 2 . . . . 32 Glu HG3 . 19473 1 309 . 1 1 32 32 GLU C C 13 180.770 0.000 . 1 . . . . 32 Glu C . 19473 1 310 . 1 1 32 32 GLU CA C 13 60.765 0.034 . 1 . . . . 32 Glu CA . 19473 1 311 . 1 1 32 32 GLU CB C 13 29.253 0.003 . 1 . . . . 32 Glu CB . 19473 1 312 . 1 1 32 32 GLU N N 15 114.077 0.019 . 1 . . . . 32 Glu N . 19473 1 313 . 1 1 33 33 ASP H H 1 8.359 0.003 . 1 . . . . 33 Asp H . 19473 1 314 . 1 1 33 33 ASP HA H 1 4.680 0.006 . 1 . . . . 33 Asp HA . 19473 1 315 . 1 1 33 33 ASP HB2 H 1 2.929 0.013 . 2 . . . . 33 Asp HB2 . 19473 1 316 . 1 1 33 33 ASP HB3 H 1 2.883 0.019 . 2 . . . . 33 Asp HB3 . 19473 1 317 . 1 1 33 33 ASP C C 13 178.865 0.000 . 1 . . . . 33 Asp C . 19473 1 318 . 1 1 33 33 ASP CA C 13 56.903 0.033 . 1 . . . . 33 Asp CA . 19473 1 319 . 1 1 33 33 ASP CB C 13 41.268 0.027 . 1 . . . . 33 Asp CB . 19473 1 320 . 1 1 33 33 ASP N N 15 120.381 0.057 . 1 . . . . 33 Asp N . 19473 1 321 . 1 1 34 34 CYS H H 1 8.281 0.002 . 1 . . . . 34 Cys H . 19473 1 322 . 1 1 34 34 CYS HA H 1 4.565 0.007 . 1 . . . . 34 Cys HA . 19473 1 323 . 1 1 34 34 CYS HB2 H 1 3.295 0.010 . 2 . . . . 34 Cys HB2 . 19473 1 324 . 1 1 34 34 CYS HB3 H 1 2.643 0.009 . 2 . . . . 34 Cys HB3 . 19473 1 325 . 1 1 34 34 CYS C C 13 174.421 0.000 . 1 . . . . 34 Cys C . 19473 1 326 . 1 1 34 34 CYS CA C 13 59.206 0.008 . 1 . . . . 34 Cys CA . 19473 1 327 . 1 1 34 34 CYS CB C 13 42.851 0.025 . 1 . . . . 34 Cys CB . 19473 1 328 . 1 1 34 34 CYS N N 15 116.794 0.052 . 1 . . . . 34 Cys N . 19473 1 329 . 1 1 35 35 HIS H H 1 7.759 0.007 . 1 . . . . 35 His H . 19473 1 330 . 1 1 35 35 HIS HA H 1 5.296 0.005 . 1 . . . . 35 His HA . 19473 1 331 . 1 1 35 35 HIS HB2 H 1 3.374 0.007 . 2 . . . . 35 His HB2 . 19473 1 332 . 1 1 35 35 HIS HB3 H 1 3.582 0.009 . 2 . . . . 35 His HB3 . 19473 1 333 . 1 1 35 35 HIS HD1 H 1 11.402 0.003 . 1 . . . . 35 His HD1 . 19473 1 334 . 1 1 35 35 HIS HD2 H 1 6.839 0.004 . 1 . . . . 35 His HD2 . 19473 1 335 . 1 1 35 35 HIS HE1 H 1 7.907 0.006 . 1 . . . . 35 His HE1 . 19473 1 336 . 1 1 35 35 HIS C C 13 174.513 0.000 . 1 . . . . 35 His C . 19473 1 337 . 1 1 35 35 HIS CA C 13 56.381 0.014 . 1 . . . . 35 His CA . 19473 1 338 . 1 1 35 35 HIS CB C 13 30.010 0.038 . 1 . . . . 35 His CB . 19473 1 339 . 1 1 35 35 HIS N N 15 117.507 0.003 . 1 . . . . 35 His N . 19473 1 340 . 1 1 36 36 ILE H H 1 7.718 0.006 . 1 . . . . 36 Ile H . 19473 1 341 . 1 1 36 36 ILE HA H 1 4.535 0.004 . 1 . . . . 36 Ile HA . 19473 1 342 . 1 1 36 36 ILE HB H 1 2.143 0.004 . 1 . . . . 36 Ile HB . 19473 1 343 . 1 1 36 36 ILE HG12 H 1 1.800 0.006 . 2 . . . . 36 Ile HG12 . 19473 1 344 . 1 1 36 36 ILE HG13 H 1 1.327 0.004 . 2 . . . . 36 Ile HG13 . 19473 1 345 . 1 1 36 36 ILE HG21 H 1 0.937 0.012 . 1 . . . . 36 Ile HG21 . 19473 1 346 . 1 1 36 36 ILE HG22 H 1 0.937 0.012 . 1 . . . . 36 Ile HG22 . 19473 1 347 . 1 1 36 36 ILE HG23 H 1 0.937 0.012 . 1 . . . . 36 Ile HG23 . 19473 1 348 . 1 1 36 36 ILE HD11 H 1 1.002 0.007 . 1 . . . . 36 Ile HD11 . 19473 1 349 . 1 1 36 36 ILE HD12 H 1 1.002 0.007 . 1 . . . . 36 Ile HD12 . 19473 1 350 . 1 1 36 36 ILE HD13 H 1 1.002 0.007 . 1 . . . . 36 Ile HD13 . 19473 1 351 . 1 1 36 36 ILE CA C 13 58.730 0.007 . 1 . . . . 36 Ile CA . 19473 1 352 . 1 1 36 36 ILE CB C 13 37.798 0.025 . 1 . . . . 36 Ile CB . 19473 1 353 . 1 1 36 36 ILE N N 15 125.930 0.064 . 1 . . . . 36 Ile N . 19473 1 354 . 1 1 37 37 PRO HA H 1 4.999 0.003 . 1 . . . . 37 Pro HA . 19473 1 355 . 1 1 37 37 PRO HB2 H 1 2.010 0.003 . 2 . . . . 37 Pro HB2 . 19473 1 356 . 1 1 37 37 PRO HB3 H 1 2.486 0.005 . 2 . . . . 37 Pro HB3 . 19473 1 357 . 1 1 37 37 PRO HG2 H 1 2.023 0.003 . 2 . . . . 37 Pro HG2 . 19473 1 358 . 1 1 37 37 PRO HG3 H 1 1.890 0.004 . 2 . . . . 37 Pro HG3 . 19473 1 359 . 1 1 37 37 PRO HD2 H 1 3.681 0.017 . 2 . . . . 37 Pro HD2 . 19473 1 360 . 1 1 37 37 PRO HD3 H 1 3.602 0.007 . 2 . . . . 37 Pro HD3 . 19473 1 361 . 1 1 37 37 PRO CA C 13 63.220 0.018 . 1 . . . . 37 Pro CA . 19473 1 362 . 1 1 37 37 PRO CB C 13 35.060 0.029 . 1 . . . . 37 Pro CB . 19473 1 363 . 1 1 38 38 PRO HA H 1 4.429 0.007 . 1 . . . . 38 Pro HA . 19473 1 364 . 1 1 38 38 PRO HB2 H 1 2.157 0.006 . 2 . . . . 38 Pro HB2 . 19473 1 365 . 1 1 38 38 PRO HB3 H 1 2.156 0.005 . 2 . . . . 38 Pro HB3 . 19473 1 366 . 1 1 38 38 PRO HG2 H 1 1.794 0.016 . 2 . . . . 38 Pro HG2 . 19473 1 367 . 1 1 38 38 PRO HG3 H 1 1.824 0.016 . 2 . . . . 38 Pro HG3 . 19473 1 368 . 1 1 38 38 PRO HD2 H 1 3.062 0.011 . 2 . . . . 38 Pro HD2 . 19473 1 369 . 1 1 38 38 PRO HD3 H 1 2.884 0.010 . 2 . . . . 38 Pro HD3 . 19473 1 370 . 1 1 38 38 PRO C C 13 176.427 0.000 . 1 . . . . 38 Pro C . 19473 1 371 . 1 1 38 38 PRO CA C 13 61.585 0.019 . 1 . . . . 38 Pro CA . 19473 1 372 . 1 1 38 38 PRO CB C 13 32.452 0.015 . 1 . . . . 38 Pro CB . 19473 1 373 . 1 1 39 39 VAL H H 1 8.222 0.004 . 1 . . . . 39 Val H . 19473 1 374 . 1 1 39 39 VAL HA H 1 3.993 0.008 . 1 . . . . 39 Val HA . 19473 1 375 . 1 1 39 39 VAL HB H 1 2.131 0.007 . 1 . . . . 39 Val HB . 19473 1 376 . 1 1 39 39 VAL HG11 H 1 0.985 0.006 . 2 . . . . 39 Val HG11 . 19473 1 377 . 1 1 39 39 VAL HG12 H 1 0.985 0.006 . 2 . . . . 39 Val HG12 . 19473 1 378 . 1 1 39 39 VAL HG13 H 1 0.985 0.006 . 2 . . . . 39 Val HG13 . 19473 1 379 . 1 1 39 39 VAL HG21 H 1 0.988 0.005 . 2 . . . . 39 Val HG21 . 19473 1 380 . 1 1 39 39 VAL HG22 H 1 0.988 0.005 . 2 . . . . 39 Val HG22 . 19473 1 381 . 1 1 39 39 VAL HG23 H 1 0.988 0.005 . 2 . . . . 39 Val HG23 . 19473 1 382 . 1 1 39 39 VAL C C 13 176.261 0.000 . 1 . . . . 39 Val C . 19473 1 383 . 1 1 39 39 VAL CA C 13 62.972 0.021 . 1 . . . . 39 Val CA . 19473 1 384 . 1 1 39 39 VAL CB C 13 31.773 0.004 . 1 . . . . 39 Val CB . 19473 1 385 . 1 1 39 39 VAL N N 15 118.069 0.045 . 1 . . . . 39 Val N . 19473 1 386 . 1 1 40 40 GLU H H 1 8.453 0.002 . 1 . . . . 40 Glu H . 19473 1 387 . 1 1 40 40 GLU HA H 1 3.991 0.005 . 1 . . . . 40 Glu HA . 19473 1 388 . 1 1 40 40 GLU HB2 H 1 2.050 0.004 . 2 . . . . 40 Glu HB2 . 19473 1 389 . 1 1 40 40 GLU HB3 H 1 2.051 0.001 . 2 . . . . 40 Glu HB3 . 19473 1 390 . 1 1 40 40 GLU HG2 H 1 2.303 0.003 . 2 . . . . 40 Glu HG2 . 19473 1 391 . 1 1 40 40 GLU HG3 H 1 2.304 0.002 . 2 . . . . 40 Glu HG3 . 19473 1 392 . 1 1 40 40 GLU C C 13 177.398 0.000 . 1 . . . . 40 Glu C . 19473 1 393 . 1 1 40 40 GLU CA C 13 58.663 0.014 . 1 . . . . 40 Glu CA . 19473 1 394 . 1 1 40 40 GLU CB C 13 29.603 0.008 . 1 . . . . 40 Glu CB . 19473 1 395 . 1 1 40 40 GLU N N 15 122.725 0.017 . 1 . . . . 40 Glu N . 19473 1 396 . 1 1 41 41 ALA H H 1 8.363 0.006 . 1 . . . . 41 Ala H . 19473 1 397 . 1 1 41 41 ALA HA H 1 4.238 0.011 . 1 . . . . 41 Ala HA . 19473 1 398 . 1 1 41 41 ALA HB1 H 1 1.435 0.003 . 1 . . . . 41 Ala HB1 . 19473 1 399 . 1 1 41 41 ALA HB2 H 1 1.435 0.003 . 1 . . . . 41 Ala HB2 . 19473 1 400 . 1 1 41 41 ALA HB3 H 1 1.435 0.003 . 1 . . . . 41 Ala HB3 . 19473 1 401 . 1 1 41 41 ALA C C 13 178.127 0.000 . 1 . . . . 41 Ala C . 19473 1 402 . 1 1 41 41 ALA CA C 13 53.708 0.010 . 1 . . . . 41 Ala CA . 19473 1 403 . 1 1 41 41 ALA CB C 13 19.121 0.017 . 1 . . . . 41 Ala CB . 19473 1 404 . 1 1 41 41 ALA N N 15 121.993 0.049 . 1 . . . . 41 Ala N . 19473 1 405 . 1 1 42 42 GLU H H 1 8.173 0.001 . 1 . . . . 42 Glu H . 19473 1 406 . 1 1 42 42 GLU HA H 1 4.449 0.004 . 1 . . . . 42 Glu HA . 19473 1 407 . 1 1 42 42 GLU HB2 H 1 1.865 0.007 . 2 . . . . 42 Glu HB2 . 19473 1 408 . 1 1 42 42 GLU HB3 H 1 1.862 0.008 . 2 . . . . 42 Glu HB3 . 19473 1 409 . 1 1 42 42 GLU HG2 H 1 2.219 0.008 . 2 . . . . 42 Glu HG2 . 19473 1 410 . 1 1 42 42 GLU HG3 H 1 2.219 0.008 . 2 . . . . 42 Glu HG3 . 19473 1 411 . 1 1 42 42 GLU C C 13 175.760 0.000 . 1 . . . . 42 Glu C . 19473 1 412 . 1 1 42 42 GLU CA C 13 55.900 0.047 . 1 . . . . 42 Glu CA . 19473 1 413 . 1 1 42 42 GLU CB C 13 30.124 0.007 . 1 . . . . 42 Glu CB . 19473 1 414 . 1 1 42 42 GLU N N 15 117.596 0.026 . 1 . . . . 42 Glu N . 19473 1 415 . 1 1 43 43 ARG H H 1 7.922 0.006 . 1 . . . . 43 Arg H . 19473 1 416 . 1 1 43 43 ARG HA H 1 4.299 0.007 . 1 . . . . 43 Arg HA . 19473 1 417 . 1 1 43 43 ARG HB2 H 1 1.854 0.009 . 2 . . . . 43 Arg HB2 . 19473 1 418 . 1 1 43 43 ARG HB3 H 1 2.005 0.006 . 2 . . . . 43 Arg HB3 . 19473 1 419 . 1 1 43 43 ARG HG2 H 1 1.674 0.018 . 2 . . . . 43 Arg HG2 . 19473 1 420 . 1 1 43 43 ARG HG3 H 1 1.690 0.014 . 2 . . . . 43 Arg HG3 . 19473 1 421 . 1 1 43 43 ARG HD2 H 1 3.246 0.010 . 2 . . . . 43 Arg HD2 . 19473 1 422 . 1 1 43 43 ARG HD3 H 1 3.240 0.005 . 2 . . . . 43 Arg HD3 . 19473 1 423 . 1 1 43 43 ARG C C 13 175.397 0.000 . 1 . . . . 43 Arg C . 19473 1 424 . 1 1 43 43 ARG CA C 13 56.932 0.013 . 1 . . . . 43 Arg CA . 19473 1 425 . 1 1 43 43 ARG CB C 13 31.286 0.034 . 1 . . . . 43 Arg CB . 19473 1 426 . 1 1 43 43 ARG N N 15 120.615 0.040 . 1 . . . . 43 Arg N . 19473 1 427 . 1 1 44 44 THR H H 1 7.722 0.002 . 1 . . . . 44 Thr H . 19473 1 428 . 1 1 44 44 THR HA H 1 4.551 0.006 . 1 . . . . 44 Thr HA . 19473 1 429 . 1 1 44 44 THR HB H 1 4.100 0.007 . 1 . . . . 44 Thr HB . 19473 1 430 . 1 1 44 44 THR HG21 H 1 1.228 0.007 . 1 . . . . 44 Thr HG21 . 19473 1 431 . 1 1 44 44 THR HG22 H 1 1.228 0.007 . 1 . . . . 44 Thr HG22 . 19473 1 432 . 1 1 44 44 THR HG23 H 1 1.228 0.007 . 1 . . . . 44 Thr HG23 . 19473 1 433 . 1 1 44 44 THR CA C 13 58.765 0.013 . 1 . . . . 44 Thr CA . 19473 1 434 . 1 1 44 44 THR CB C 13 70.440 0.026 . 1 . . . . 44 Thr CB . 19473 1 435 . 1 1 44 44 THR N N 15 113.684 0.055 . 1 . . . . 44 Thr N . 19473 1 436 . 1 1 45 45 PRO HA H 1 4.848 0.008 . 1 . . . . 45 Pro HA . 19473 1 437 . 1 1 45 45 PRO HB2 H 1 2.430 0.004 . 2 . . . . 45 Pro HB2 . 19473 1 438 . 1 1 45 45 PRO HB3 H 1 2.133 0.004 . 2 . . . . 45 Pro HB3 . 19473 1 439 . 1 1 45 45 PRO HG2 H 1 1.697 0.010 . 2 . . . . 45 Pro HG2 . 19473 1 440 . 1 1 45 45 PRO HG3 H 1 1.949 0.005 . 2 . . . . 45 Pro HG3 . 19473 1 441 . 1 1 45 45 PRO HD2 H 1 3.506 0.004 . 2 . . . . 45 Pro HD2 . 19473 1 442 . 1 1 45 45 PRO HD3 H 1 3.505 0.001 . 2 . . . . 45 Pro HD3 . 19473 1 443 . 1 1 45 45 PRO C C 13 175.546 0.000 . 1 . . . . 45 Pro C . 19473 1 444 . 1 1 45 45 PRO CA C 13 63.026 0.017 . 1 . . . . 45 Pro CA . 19473 1 445 . 1 1 45 45 PRO CB C 13 34.506 0.017 . 1 . . . . 45 Pro CB . 19473 1 446 . 1 1 46 46 TRP H H 1 8.523 0.006 . 1 . . . . 46 Trp H . 19473 1 447 . 1 1 46 46 TRP HA H 1 4.449 0.009 . 1 . . . . 46 Trp HA . 19473 1 448 . 1 1 46 46 TRP HB2 H 1 3.330 0.023 . 2 . . . . 46 Trp HB2 . 19473 1 449 . 1 1 46 46 TRP HB3 H 1 3.416 0.019 . 2 . . . . 46 Trp HB3 . 19473 1 450 . 1 1 46 46 TRP HD1 H 1 7.482 0.004 . 1 . . . . 46 Trp HD1 . 19473 1 451 . 1 1 46 46 TRP HE1 H 1 10.185 0.005 . 1 . . . . 46 Trp HE1 . 19473 1 452 . 1 1 46 46 TRP HE3 H 1 7.479 0.009 . 1 . . . . 46 Trp HE3 . 19473 1 453 . 1 1 46 46 TRP HZ2 H 1 7.296 0.009 . 1 . . . . 46 Trp HZ2 . 19473 1 454 . 1 1 46 46 TRP HZ3 H 1 7.019 0.011 . 1 . . . . 46 Trp HZ3 . 19473 1 455 . 1 1 46 46 TRP HH2 H 1 6.953 0.009 . 1 . . . . 46 Trp HH2 . 19473 1 456 . 1 1 46 46 TRP C C 13 176.173 0.000 . 1 . . . . 46 Trp C . 19473 1 457 . 1 1 46 46 TRP CA C 13 58.942 0.021 . 1 . . . . 46 Trp CA . 19473 1 458 . 1 1 46 46 TRP CB C 13 29.741 0.030 . 1 . . . . 46 Trp CB . 19473 1 459 . 1 1 46 46 TRP N N 15 122.827 0.023 . 1 . . . . 46 Trp N . 19473 1 460 . 1 1 47 47 ASN H H 1 7.776 0.004 . 1 . . . . 47 Asn H . 19473 1 461 . 1 1 47 47 ASN HA H 1 4.541 0.004 . 1 . . . . 47 Asn HA . 19473 1 462 . 1 1 47 47 ASN HB2 H 1 2.482 0.020 . 2 . . . . 47 Asn HB2 . 19473 1 463 . 1 1 47 47 ASN HB3 H 1 2.540 0.018 . 2 . . . . 47 Asn HB3 . 19473 1 464 . 1 1 47 47 ASN HD21 H 1 7.402 0.002 . 1 . . . . 47 Asn HD21 . 19473 1 465 . 1 1 47 47 ASN HD22 H 1 6.854 0.000 . 1 . . . . 47 Asn HD22 . 19473 1 466 . 1 1 47 47 ASN C C 13 172.555 0.000 . 1 . . . . 47 Asn C . 19473 1 467 . 1 1 47 47 ASN CA C 13 52.591 0.022 . 1 . . . . 47 Asn CA . 19473 1 468 . 1 1 47 47 ASN CB C 13 41.257 0.030 . 1 . . . . 47 Asn CB . 19473 1 469 . 1 1 47 47 ASN N N 15 122.236 0.020 . 1 . . . . 47 Asn N . 19473 1 470 . 1 1 48 48 CYS H H 1 8.237 0.004 . 1 . . . . 48 Cys H . 19473 1 471 . 1 1 48 48 CYS HA H 1 4.291 0.005 . 1 . . . . 48 Cys HA . 19473 1 472 . 1 1 48 48 CYS HB2 H 1 3.078 0.008 . 2 . . . . 48 Cys HB2 . 19473 1 473 . 1 1 48 48 CYS HB3 H 1 3.143 0.007 . 2 . . . . 48 Cys HB3 . 19473 1 474 . 1 1 48 48 CYS C C 13 176.923 0.000 . 1 . . . . 48 Cys C . 19473 1 475 . 1 1 48 48 CYS CA C 13 58.946 0.020 . 1 . . . . 48 Cys CA . 19473 1 476 . 1 1 48 48 CYS CB C 13 30.101 0.025 . 1 . . . . 48 Cys CB . 19473 1 477 . 1 1 48 48 CYS N N 15 123.430 0.060 . 1 . . . . 48 Cys N . 19473 1 478 . 1 1 49 49 ILE H H 1 8.209 0.002 . 1 . . . . 49 Ile H . 19473 1 479 . 1 1 49 49 ILE HA H 1 3.743 0.006 . 1 . . . . 49 Ile HA . 19473 1 480 . 1 1 49 49 ILE HB H 1 1.620 0.007 . 1 . . . . 49 Ile HB . 19473 1 481 . 1 1 49 49 ILE HG12 H 1 1.181 0.013 . 2 . . . . 49 Ile HG12 . 19473 1 482 . 1 1 49 49 ILE HG13 H 1 1.183 0.013 . 2 . . . . 49 Ile HG13 . 19473 1 483 . 1 1 49 49 ILE HG21 H 1 0.634 0.008 . 1 . . . . 49 Ile HG21 . 19473 1 484 . 1 1 49 49 ILE HG22 H 1 0.634 0.008 . 1 . . . . 49 Ile HG22 . 19473 1 485 . 1 1 49 49 ILE HG23 H 1 0.634 0.008 . 1 . . . . 49 Ile HG23 . 19473 1 486 . 1 1 49 49 ILE HD11 H 1 0.802 0.010 . 1 . . . . 49 Ile HD11 . 19473 1 487 . 1 1 49 49 ILE HD12 H 1 0.802 0.010 . 1 . . . . 49 Ile HD12 . 19473 1 488 . 1 1 49 49 ILE HD13 H 1 0.802 0.010 . 1 . . . . 49 Ile HD13 . 19473 1 489 . 1 1 49 49 ILE C C 13 176.658 0.000 . 1 . . . . 49 Ile C . 19473 1 490 . 1 1 49 49 ILE CA C 13 64.910 0.007 . 1 . . . . 49 Ile CA . 19473 1 491 . 1 1 49 49 ILE CB C 13 38.888 0.010 . 1 . . . . 49 Ile CB . 19473 1 492 . 1 1 49 49 ILE N N 15 126.493 0.041 . 1 . . . . 49 Ile N . 19473 1 493 . 1 1 50 50 PHE H H 1 8.264 0.003 . 1 . . . . 50 Phe H . 19473 1 494 . 1 1 50 50 PHE HA H 1 4.564 0.014 . 1 . . . . 50 Phe HA . 19473 1 495 . 1 1 50 50 PHE HB2 H 1 3.221 0.012 . 2 . . . . 50 Phe HB2 . 19473 1 496 . 1 1 50 50 PHE HB3 H 1 3.570 0.007 . 2 . . . . 50 Phe HB3 . 19473 1 497 . 1 1 50 50 PHE HD1 H 1 7.178 0.005 . 3 . . . . 50 Phe HD1 . 19473 1 498 . 1 1 50 50 PHE HD2 H 1 7.178 0.005 . 3 . . . . 50 Phe HD2 . 19473 1 499 . 1 1 50 50 PHE HE1 H 1 7.063 0.016 . 3 . . . . 50 Phe HE1 . 19473 1 500 . 1 1 50 50 PHE HE2 H 1 7.063 0.016 . 3 . . . . 50 Phe HE2 . 19473 1 501 . 1 1 50 50 PHE HZ H 1 7.053 0.009 . 1 . . . . 50 Phe HZ . 19473 1 502 . 1 1 50 50 PHE C C 13 178.563 0.000 . 1 . . . . 50 Phe C . 19473 1 503 . 1 1 50 50 PHE CA C 13 61.473 0.027 . 1 . . . . 50 Phe CA . 19473 1 504 . 1 1 50 50 PHE CB C 13 41.423 0.002 . 1 . . . . 50 Phe CB . 19473 1 505 . 1 1 50 50 PHE N N 15 121.604 0.042 . 1 . . . . 50 Phe N . 19473 1 506 . 1 1 51 51 CYS H H 1 8.729 0.008 . 1 . . . . 51 Cys H . 19473 1 507 . 1 1 51 51 CYS HA H 1 4.404 0.006 . 1 . . . . 51 Cys HA . 19473 1 508 . 1 1 51 51 CYS HB2 H 1 3.035 0.010 . 2 . . . . 51 Cys HB2 . 19473 1 509 . 1 1 51 51 CYS HB3 H 1 3.026 0.012 . 2 . . . . 51 Cys HB3 . 19473 1 510 . 1 1 51 51 CYS C C 13 177.436 0.000 . 1 . . . . 51 Cys C . 19473 1 511 . 1 1 51 51 CYS CA C 13 63.812 0.010 . 1 . . . . 51 Cys CA . 19473 1 512 . 1 1 51 51 CYS CB C 13 30.650 0.009 . 1 . . . . 51 Cys CB . 19473 1 513 . 1 1 51 51 CYS N N 15 125.154 0.030 . 1 . . . . 51 Cys N . 19473 1 514 . 1 1 52 52 ARG H H 1 7.834 0.002 . 1 . . . . 52 Arg H . 19473 1 515 . 1 1 52 52 ARG HA H 1 4.157 0.012 . 1 . . . . 52 Arg HA . 19473 1 516 . 1 1 52 52 ARG HB2 H 1 1.801 0.001 . 2 . . . . 52 Arg HB2 . 19473 1 517 . 1 1 52 52 ARG HB3 H 1 1.809 0.012 . 2 . . . . 52 Arg HB3 . 19473 1 518 . 1 1 52 52 ARG HG2 H 1 1.483 0.008 . 2 . . . . 52 Arg HG2 . 19473 1 519 . 1 1 52 52 ARG HG3 H 1 1.480 0.008 . 2 . . . . 52 Arg HG3 . 19473 1 520 . 1 1 52 52 ARG HD2 H 1 3.033 0.003 . 2 . . . . 52 Arg HD2 . 19473 1 521 . 1 1 52 52 ARG HD3 H 1 3.030 0.004 . 2 . . . . 52 Arg HD3 . 19473 1 522 . 1 1 52 52 ARG C C 13 176.497 0.000 . 1 . . . . 52 Arg C . 19473 1 523 . 1 1 52 52 ARG CA C 13 57.490 0.018 . 1 . . . . 52 Arg CA . 19473 1 524 . 1 1 52 52 ARG CB C 13 29.109 0.013 . 1 . . . . 52 Arg CB . 19473 1 525 . 1 1 52 52 ARG N N 15 117.911 0.037 . 1 . . . . 52 Arg N . 19473 1 526 . 1 1 53 53 MET H H 1 7.845 0.003 . 1 . . . . 53 Met H . 19473 1 527 . 1 1 53 53 MET HA H 1 4.410 0.014 . 1 . . . . 53 Met HA . 19473 1 528 . 1 1 53 53 MET HB2 H 1 2.644 0.013 . 2 . . . . 53 Met HB2 . 19473 1 529 . 1 1 53 53 MET HB3 H 1 2.650 0.009 . 2 . . . . 53 Met HB3 . 19473 1 530 . 1 1 53 53 MET HG2 H 1 2.196 0.000 . 2 . . . . 53 Met HG2 . 19473 1 531 . 1 1 53 53 MET HG3 H 1 2.198 0.006 . 2 . . . . 53 Met HG3 . 19473 1 532 . 1 1 53 53 MET C C 13 176.524 0.000 . 1 . . . . 53 Met C . 19473 1 533 . 1 1 53 53 MET CA C 13 56.508 0.004 . 1 . . . . 53 Met CA . 19473 1 534 . 1 1 53 53 MET CB C 13 32.398 0.327 . 1 . . . . 53 Met CB . 19473 1 535 . 1 1 53 53 MET N N 15 119.532 0.043 . 1 . . . . 53 Met N . 19473 1 536 . 1 1 54 54 LYS H H 1 7.953 0.010 . 1 . . . . 54 Lys H . 19473 1 537 . 1 1 54 54 LYS HA H 1 4.473 0.009 . 1 . . . . 54 Lys HA . 19473 1 538 . 1 1 54 54 LYS HB2 H 1 1.943 0.026 . 2 . . . . 54 Lys HB2 . 19473 1 539 . 1 1 54 54 LYS HB3 H 1 1.962 0.021 . 2 . . . . 54 Lys HB3 . 19473 1 540 . 1 1 54 54 LYS HG2 H 1 1.555 0.012 . 2 . . . . 54 Lys HG2 . 19473 1 541 . 1 1 54 54 LYS HG3 H 1 1.574 0.022 . 2 . . . . 54 Lys HG3 . 19473 1 542 . 1 1 54 54 LYS HD2 H 1 1.787 0.004 . 2 . . . . 54 Lys HD2 . 19473 1 543 . 1 1 54 54 LYS HD3 H 1 1.783 0.005 . 2 . . . . 54 Lys HD3 . 19473 1 544 . 1 1 54 54 LYS HE2 H 1 3.075 0.001 . 2 . . . . 54 Lys HE2 . 19473 1 545 . 1 1 54 54 LYS HE3 H 1 3.076 0.003 . 2 . . . . 54 Lys HE3 . 19473 1 546 . 1 1 54 54 LYS C C 13 176.646 0.000 . 1 . . . . 54 Lys C . 19473 1 547 . 1 1 54 54 LYS CA C 13 56.740 0.010 . 1 . . . . 54 Lys CA . 19473 1 548 . 1 1 54 54 LYS CB C 13 33.209 0.037 . 1 . . . . 54 Lys CB . 19473 1 549 . 1 1 54 54 LYS N N 15 121.317 0.022 . 1 . . . . 54 Lys N . 19473 1 550 . 1 1 55 55 GLU H H 1 8.300 0.003 . 1 . . . . 55 Glu H . 19473 1 551 . 1 1 55 55 GLU HA H 1 4.395 0.008 . 1 . . . . 55 Glu HA . 19473 1 552 . 1 1 55 55 GLU HB2 H 1 2.013 0.004 . 2 . . . . 55 Glu HB2 . 19473 1 553 . 1 1 55 55 GLU HB3 H 1 2.181 0.005 . 2 . . . . 55 Glu HB3 . 19473 1 554 . 1 1 55 55 GLU HG2 H 1 2.356 0.018 . 2 . . . . 55 Glu HG2 . 19473 1 555 . 1 1 55 55 GLU HG3 H 1 2.342 0.020 . 2 . . . . 55 Glu HG3 . 19473 1 556 . 1 1 55 55 GLU C C 13 175.746 0.000 . 1 . . . . 55 Glu C . 19473 1 557 . 1 1 55 55 GLU CA C 13 56.677 0.015 . 1 . . . . 55 Glu CA . 19473 1 558 . 1 1 55 55 GLU CB C 13 30.439 0.007 . 1 . . . . 55 Glu CB . 19473 1 559 . 1 1 55 55 GLU N N 15 122.145 0.054 . 1 . . . . 55 Glu N . 19473 1 560 . 1 1 56 56 SER H H 1 8.011 0.004 . 1 . . . . 56 Ser H . 19473 1 561 . 1 1 56 56 SER HA H 1 4.323 0.004 . 1 . . . . 56 Ser HA . 19473 1 562 . 1 1 56 56 SER HB2 H 1 3.924 0.000 . 2 . . . . 56 Ser HB2 . 19473 1 563 . 1 1 56 56 SER HB3 H 1 3.917 0.008 . 2 . . . . 56 Ser HB3 . 19473 1 564 . 1 1 56 56 SER CA C 13 60.049 0.032 . 1 . . . . 56 Ser CA . 19473 1 565 . 1 1 56 56 SER CB C 13 64.807 0.005 . 1 . . . . 56 Ser CB . 19473 1 566 . 1 1 56 56 SER N N 15 122.834 0.051 . 1 . . . . 56 Ser N . 19473 1 stop_ save_