data_11314 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11314 _Entry.Title ; Solution Structure of the RING domain of the Synaptotagmin-like protein 4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-10 _Entry.Accession_date 2010-08-10 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 K. Miyamoto . . . 11314 2 M. Sato . . . 11314 3 S. Koshiba . . . 11314 4 M. Inoue . . . 11314 5 T. Kigawa . . . 11314 6 S. Yokoyama . . . 11314 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11314 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11314 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 268 11314 '15N chemical shifts' 61 11314 '1H chemical shifts' 412 11314 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 . . 2011-08-19 2010-08-10 original author . 11314 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CSZ 'BMRB Entry Tracking System' 11314 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11314 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of the RING domain of the Synaptotagmin-like protein 4' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 K. Miyamoto . . . 11314 1 2 M. Sato . . . 11314 1 3 S. Koshiba . . . 11314 1 4 M. Inoue . . . 11314 1 5 T. Kigawa . . . 11314 1 6 S. Yokoyama . . . 11314 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11314 _Assembly.ID 1 _Assembly.Name 'Synaptotagmin-like protein 4' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 'RING domain' 1 $entity_1 A . yes native no no . . . 11314 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11314 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11314 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 coordination single . 1 'RING domain' 1 CYS 28 28 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 28 CYS SG . . . . ZN 11314 1 2 coordination single . 1 'RING domain' 1 CYS 31 31 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 31 CYS SG . . . . ZN 11314 1 3 coordination single . 1 'RING domain' 1 CYS 53 53 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 53 CYS SG . . . . ZN 11314 1 4 coordination single . 1 'RING domain' 1 CYS 56 56 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 56 CYS SG . . . . ZN 11314 1 5 coordination single . 1 'RING domain' 1 CYS 45 45 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 45 CYS SG . . . . ZN 11314 1 6 coordination single . 1 'RING domain' 1 CYS 48 48 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 48 CYS SG . . . . ZN 11314 1 7 coordination single . 1 'RING domain' 1 CYS 67 67 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 67 CYS SG . . . . ZN 11314 1 8 coordination single . 1 'RING domain' 1 CYS 70 70 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 70 CYS SG . . . . ZN 11314 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 CYS 67 67 HG . 67 CYS HG 11314 1 . . 1 1 CYS 70 70 HG . 70 CYS HG 11314 1 . . 1 1 CYS 45 45 HG . 45 CYS HG 11314 1 . . 1 1 CYS 48 48 HG . 48 CYS HG 11314 1 . . 1 1 CYS 53 53 HG . 53 CYS HG 11314 1 . . 1 1 CYS 56 56 HG . 56 CYS HG 11314 1 . . 1 1 CYS 28 28 HG . 28 CYS HG 11314 1 . . 1 1 CYS 31 31 HG . 31 CYS HG 11314 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 2csz . . . . . . 11314 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11314 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RING domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGLLEIKRKGAKRGS QHYSDRTCARCQESLGRLSP KTNTCRGCNHLVCRDCRIQE SNGTWRCKVCSGPSSG ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2015-11-26 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 PDB 2CSZ . "Solution Structure Of The Ring Domain Of The Synaptotagmin- Like Protein 4" . . . . . 100.00 76 100.00 100.00 4.35e-45 . . . . 11314 1 2 no DBJ BAC04287 . "unnamed protein product [Homo sapiens]" . . . . . 84.21 671 98.44 100.00 6.26e-36 . . . . 11314 1 3 no DBJ BAF85277 . "unnamed protein product [Homo sapiens]" . . . . . 84.21 671 98.44 100.00 6.72e-36 . . . . 11314 1 4 no DBJ BAG10233 . "synaptotagmin-like protein 4 [synthetic construct]" . . . . . 84.21 671 98.44 100.00 6.45e-36 . . . . 11314 1 5 no DBJ BAG35911 . "unnamed protein product [Homo sapiens]" . . . . . 84.21 671 98.44 100.00 6.26e-36 . . . . 11314 1 6 no EMBL CAD97652 . "hypothetical protein [Homo sapiens]" . . . . . 84.21 671 98.44 100.00 6.45e-36 . . . . 11314 1 7 no EMBL CAI42004 . "synaptotagmin-like 4 [Homo sapiens]" . . . . . 84.21 671 98.44 100.00 6.58e-36 . . . . 11314 1 8 no EMBL CAI42005 . "synaptotagmin-like 4 [Homo sapiens]" . . . . . 84.21 349 98.44 100.00 3.18e-37 . . . . 11314 1 9 no GB AAH14913 . "Synaptotagmin-like 4 [Homo sapiens]" . . . . . 84.21 671 98.44 100.00 6.45e-36 . . . . 11314 1 10 no GB AAQ14492 . "endocrine transmitter regulatory protein [Homo sapiens]" . . . . . 84.21 673 98.44 100.00 5.93e-36 . . . . 11314 1 11 no GB AIC57515 . "SYTL4, partial [synthetic construct]" . . . . . 84.21 671 98.44 100.00 6.45e-36 . . . . 11314 1 12 no GB EAX02813 . "synaptotagmin-like 4 (granuphilin-a), isoform CRA_a [Homo sapiens]" . . . . . 84.21 671 98.44 100.00 6.58e-36 . . . . 11314 1 13 no GB EAX02814 . "synaptotagmin-like 4 (granuphilin-a), isoform CRA_a [Homo sapiens]" . . . . . 84.21 671 98.44 100.00 6.58e-36 . . . . 11314 1 14 no REF NP_001123368 . "synaptotagmin-like protein 4 [Homo sapiens]" . . . . . 84.21 671 98.44 100.00 6.58e-36 . . . . 11314 1 15 no REF NP_001167539 . "synaptotagmin-like protein 4 [Homo sapiens]" . . . . . 84.21 671 98.44 100.00 6.58e-36 . . . . 11314 1 16 no REF NP_542775 . "synaptotagmin-like protein 4 [Homo sapiens]" . . . . . 84.21 671 98.44 100.00 6.58e-36 . . . . 11314 1 17 no REF XP_002808587 . "PREDICTED: LOW QUALITY PROTEIN: synaptotagmin-like protein 4-like [Macaca mulatta]" . . . . . 84.21 670 98.44 100.00 7.30e-36 . . . . 11314 1 18 no REF XP_003276489 . "PREDICTED: synaptotagmin-like protein 4 [Nomascus leucogenys]" . . . . . 84.21 672 98.44 100.00 6.78e-36 . . . . 11314 1 19 no SP Q96C24 . "RecName: Full=Synaptotagmin-like protein 4; AltName: Full=Exophilin-2; AltName: Full=Granuphilin" . . . . . 84.21 671 98.44 100.00 6.58e-36 . . . . 11314 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RING domain' . 11314 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 . 11314 1 2 . SER . 11314 1 3 . SER . 11314 1 4 . GLY . 11314 1 5 . SER . 11314 1 6 . SER . 11314 1 7 . GLY . 11314 1 8 . LEU . 11314 1 9 . LEU . 11314 1 10 . GLU . 11314 1 11 . ILE . 11314 1 12 . LYS . 11314 1 13 . ARG . 11314 1 14 . LYS . 11314 1 15 . GLY . 11314 1 16 . ALA . 11314 1 17 . LYS . 11314 1 18 . ARG . 11314 1 19 . GLY . 11314 1 20 . SER . 11314 1 21 . GLN . 11314 1 22 . HIS . 11314 1 23 . TYR . 11314 1 24 . SER . 11314 1 25 . ASP . 11314 1 26 . ARG . 11314 1 27 . THR . 11314 1 28 . CYS . 11314 1 29 . ALA . 11314 1 30 . ARG . 11314 1 31 . CYS . 11314 1 32 . GLN . 11314 1 33 . GLU . 11314 1 34 . SER . 11314 1 35 . LEU . 11314 1 36 . GLY . 11314 1 37 . ARG . 11314 1 38 . LEU . 11314 1 39 . SER . 11314 1 40 . PRO . 11314 1 41 . LYS . 11314 1 42 . THR . 11314 1 43 . ASN . 11314 1 44 . THR . 11314 1 45 . CYS . 11314 1 46 . ARG . 11314 1 47 . GLY . 11314 1 48 . CYS . 11314 1 49 . ASN . 11314 1 50 . HIS . 11314 1 51 . LEU . 11314 1 52 . VAL . 11314 1 53 . CYS . 11314 1 54 . ARG . 11314 1 55 . ASP . 11314 1 56 . CYS . 11314 1 57 . ARG . 11314 1 58 . ILE . 11314 1 59 . GLN . 11314 1 60 . GLU . 11314 1 61 . SER . 11314 1 62 . ASN . 11314 1 63 . GLY . 11314 1 64 . THR . 11314 1 65 . TRP . 11314 1 66 . ARG . 11314 1 67 . CYS . 11314 1 68 . LYS . 11314 1 69 . VAL . 11314 1 70 . CYS . 11314 1 71 . SER . 11314 1 72 . GLY . 11314 1 73 . PRO . 11314 1 74 . SER . 11314 1 75 . SER . 11314 1 76 . GLY . 11314 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 11314 1 . SER 2 2 11314 1 . SER 3 3 11314 1 . GLY 4 4 11314 1 . SER 5 5 11314 1 . SER 6 6 11314 1 . GLY 7 7 11314 1 . LEU 8 8 11314 1 . LEU 9 9 11314 1 . GLU 10 10 11314 1 . ILE 11 11 11314 1 . LYS 12 12 11314 1 . ARG 13 13 11314 1 . LYS 14 14 11314 1 . GLY 15 15 11314 1 . ALA 16 16 11314 1 . LYS 17 17 11314 1 . ARG 18 18 11314 1 . GLY 19 19 11314 1 . SER 20 20 11314 1 . GLN 21 21 11314 1 . HIS 22 22 11314 1 . TYR 23 23 11314 1 . SER 24 24 11314 1 . ASP 25 25 11314 1 . ARG 26 26 11314 1 . THR 27 27 11314 1 . CYS 28 28 11314 1 . ALA 29 29 11314 1 . ARG 30 30 11314 1 . CYS 31 31 11314 1 . GLN 32 32 11314 1 . GLU 33 33 11314 1 . SER 34 34 11314 1 . LEU 35 35 11314 1 . GLY 36 36 11314 1 . ARG 37 37 11314 1 . LEU 38 38 11314 1 . SER 39 39 11314 1 . PRO 40 40 11314 1 . LYS 41 41 11314 1 . THR 42 42 11314 1 . ASN 43 43 11314 1 . THR 44 44 11314 1 . CYS 45 45 11314 1 . ARG 46 46 11314 1 . GLY 47 47 11314 1 . CYS 48 48 11314 1 . ASN 49 49 11314 1 . HIS 50 50 11314 1 . LEU 51 51 11314 1 . VAL 52 52 11314 1 . CYS 53 53 11314 1 . ARG 54 54 11314 1 . ASP 55 55 11314 1 . CYS 56 56 11314 1 . ARG 57 57 11314 1 . ILE 58 58 11314 1 . GLN 59 59 11314 1 . GLU 60 60 11314 1 . SER 61 61 11314 1 . ASN 62 62 11314 1 . GLY 63 63 11314 1 . THR 64 64 11314 1 . TRP 65 65 11314 1 . ARG 66 66 11314 1 . CYS 67 67 11314 1 . LYS 68 68 11314 1 . VAL 69 69 11314 1 . CYS 70 70 11314 1 . SER 71 71 11314 1 . GLY 72 72 11314 1 . PRO 73 73 11314 1 . SER 74 74 11314 1 . SER 75 75 11314 1 . GLY 76 76 11314 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11314 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _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 ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _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 . ZN . 11314 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 11314 _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 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11314 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 11314 _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 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P041101-16 . . . . . . 11314 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 11314 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _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 . _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 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 ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; _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=1/Zn/q+2 InChI InChI 1.02b 11314 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11314 ZN [Zn++] SMILES CACTVS 3.341 11314 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11314 ZN [Zn+2] SMILES ACDLabs 10.04 11314 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11314 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11314 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 11314 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11314 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 . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 11314 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11314 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.37mM RING domain {U-13C,15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZNCl2;} 0.1mM {NTA;} 90% H2O, 10% D2O ; _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 'RING domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.37 . . mM . . . . 11314 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11314 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11314 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11314 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11314 1 6 ZnCl2 'natural abundance' . . . . . salt 0.05 . . mM . . . . 11314 1 7 NTA 'natural abundance' . . . . . salt 0.1 . . mM . . . . 11314 1 8 H2O . . . . . . solvent 90 . . % . . . . 11314 1 9 D2O . . . . . . solvent 10 . . % . . . . 11314 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11314 _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 'ionic strength' 120 0.1 mM 11314 1 pH 7.0 0.05 pH 11314 1 pressure 1 0.001 atm 11314 1 temperature 296 0.1 K 11314 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11314 _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 . . 11314 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11314 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11314 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11314 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11314 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11314 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B. A.' . . 11314 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11314 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11314 _Software.ID 4 _Software.Name Kujira _Software.Version 0.925 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11314 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11314 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11314 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11314 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11314 5 'structure solution' 11314 5 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 11314 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 11314 _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 . 800 . . . 11314 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 11314 _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 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11314 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11314 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11314 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect 0.251449530 . . . . . . . . . 11314 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11314 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11314 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11314 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11314 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11314 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11314 1 2 $NMRPipe . . 11314 1 3 $NMRView . . 11314 1 4 $Kujira . . 11314 1 5 $CYANA . . 11314 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 7 7 GLY HA2 H 1 3.952 0.030 . 1 . . . . 7 GLY HA2 . 11314 1 2 . 1 1 7 7 GLY HA3 H 1 3.952 0.030 . 1 . . . . 7 GLY HA3 . 11314 1 3 . 1 1 7 7 GLY C C 13 174.331 0.300 . 1 . . . . 7 GLY C . 11314 1 4 . 1 1 7 7 GLY CA C 13 45.590 0.300 . 1 . . . . 7 GLY CA . 11314 1 5 . 1 1 8 8 LEU H H 1 8.021 0.030 . 1 . . . . 8 LEU H . 11314 1 6 . 1 1 8 8 LEU HA H 1 4.291 0.030 . 1 . . . . 8 LEU HA . 11314 1 7 . 1 1 8 8 LEU HB2 H 1 1.573 0.030 . 2 . . . . 8 LEU HB2 . 11314 1 8 . 1 1 8 8 LEU HB3 H 1 1.633 0.030 . 2 . . . . 8 LEU HB3 . 11314 1 9 . 1 1 8 8 LEU HD11 H 1 0.912 0.030 . 1 . . . . 8 LEU HD1 . 11314 1 10 . 1 1 8 8 LEU HD12 H 1 0.912 0.030 . 1 . . . . 8 LEU HD1 . 11314 1 11 . 1 1 8 8 LEU HD13 H 1 0.912 0.030 . 1 . . . . 8 LEU HD1 . 11314 1 12 . 1 1 8 8 LEU HD21 H 1 0.858 0.030 . 1 . . . . 8 LEU HD2 . 11314 1 13 . 1 1 8 8 LEU HD22 H 1 0.858 0.030 . 1 . . . . 8 LEU HD2 . 11314 1 14 . 1 1 8 8 LEU HD23 H 1 0.858 0.030 . 1 . . . . 8 LEU HD2 . 11314 1 15 . 1 1 8 8 LEU HG H 1 1.579 0.030 . 1 . . . . 8 LEU HG . 11314 1 16 . 1 1 8 8 LEU C C 13 177.614 0.300 . 1 . . . . 8 LEU C . 11314 1 17 . 1 1 8 8 LEU CA C 13 55.507 0.300 . 1 . . . . 8 LEU CA . 11314 1 18 . 1 1 8 8 LEU CB C 13 42.261 0.300 . 1 . . . . 8 LEU CB . 11314 1 19 . 1 1 8 8 LEU CD1 C 13 24.911 0.300 . 2 . . . . 8 LEU CD1 . 11314 1 20 . 1 1 8 8 LEU CD2 C 13 23.645 0.300 . 2 . . . . 8 LEU CD2 . 11314 1 21 . 1 1 8 8 LEU CG C 13 27.002 0.300 . 1 . . . . 8 LEU CG . 11314 1 22 . 1 1 8 8 LEU N N 15 121.479 0.300 . 1 . . . . 8 LEU N . 11314 1 23 . 1 1 9 9 LEU H H 1 8.153 0.030 . 1 . . . . 9 LEU H . 11314 1 24 . 1 1 9 9 LEU HA H 1 4.289 0.030 . 1 . . . . 9 LEU HA . 11314 1 25 . 1 1 9 9 LEU HB2 H 1 1.569 0.030 . 2 . . . . 9 LEU HB2 . 11314 1 26 . 1 1 9 9 LEU HB3 H 1 1.653 0.030 . 2 . . . . 9 LEU HB3 . 11314 1 27 . 1 1 9 9 LEU HD11 H 1 0.914 0.030 . 1 . . . . 9 LEU HD1 . 11314 1 28 . 1 1 9 9 LEU HD12 H 1 0.914 0.030 . 1 . . . . 9 LEU HD1 . 11314 1 29 . 1 1 9 9 LEU HD13 H 1 0.914 0.030 . 1 . . . . 9 LEU HD1 . 11314 1 30 . 1 1 9 9 LEU HD21 H 1 0.855 0.030 . 1 . . . . 9 LEU HD2 . 11314 1 31 . 1 1 9 9 LEU HD22 H 1 0.855 0.030 . 1 . . . . 9 LEU HD2 . 11314 1 32 . 1 1 9 9 LEU HD23 H 1 0.855 0.030 . 1 . . . . 9 LEU HD2 . 11314 1 33 . 1 1 9 9 LEU HG H 1 1.606 0.030 . 1 . . . . 9 LEU HG . 11314 1 34 . 1 1 9 9 LEU C C 13 177.467 0.300 . 1 . . . . 9 LEU C . 11314 1 35 . 1 1 9 9 LEU CA C 13 55.432 0.300 . 1 . . . . 9 LEU CA . 11314 1 36 . 1 1 9 9 LEU CB C 13 42.148 0.300 . 1 . . . . 9 LEU CB . 11314 1 37 . 1 1 9 9 LEU CD1 C 13 24.710 0.300 . 2 . . . . 9 LEU CD1 . 11314 1 38 . 1 1 9 9 LEU CD2 C 13 23.444 0.300 . 2 . . . . 9 LEU CD2 . 11314 1 39 . 1 1 9 9 LEU CG C 13 27.002 0.300 . 1 . . . . 9 LEU CG . 11314 1 40 . 1 1 9 9 LEU N N 15 122.140 0.300 . 1 . . . . 9 LEU N . 11314 1 41 . 1 1 10 10 GLU H H 1 8.216 0.030 . 1 . . . . 10 GLU H . 11314 1 42 . 1 1 10 10 GLU HA H 1 4.236 0.030 . 1 . . . . 10 GLU HA . 11314 1 43 . 1 1 10 10 GLU HB2 H 1 1.940 0.030 . 2 . . . . 10 GLU HB2 . 11314 1 44 . 1 1 10 10 GLU HB3 H 1 1.988 0.030 . 2 . . . . 10 GLU HB3 . 11314 1 45 . 1 1 10 10 GLU HG2 H 1 2.178 0.030 . 2 . . . . 10 GLU HG2 . 11314 1 46 . 1 1 10 10 GLU HG3 H 1 2.242 0.030 . 2 . . . . 10 GLU HG3 . 11314 1 47 . 1 1 10 10 GLU C C 13 176.628 0.300 . 1 . . . . 10 GLU C . 11314 1 48 . 1 1 10 10 GLU CA C 13 56.853 0.300 . 1 . . . . 10 GLU CA . 11314 1 49 . 1 1 10 10 GLU CB C 13 30.249 0.300 . 1 . . . . 10 GLU CB . 11314 1 50 . 1 1 10 10 GLU CG C 13 36.295 0.300 . 1 . . . . 10 GLU CG . 11314 1 51 . 1 1 10 10 GLU N N 15 121.865 0.300 . 1 . . . . 10 GLU N . 11314 1 52 . 1 1 11 11 ILE H H 1 8.099 0.030 . 1 . . . . 11 ILE H . 11314 1 53 . 1 1 11 11 ILE HA H 1 4.055 0.030 . 1 . . . . 11 ILE HA . 11314 1 54 . 1 1 11 11 ILE HB H 1 1.853 0.030 . 1 . . . . 11 ILE HB . 11314 1 55 . 1 1 11 11 ILE HD11 H 1 0.844 0.030 . 1 . . . . 11 ILE HD1 . 11314 1 56 . 1 1 11 11 ILE HD12 H 1 0.844 0.030 . 1 . . . . 11 ILE HD1 . 11314 1 57 . 1 1 11 11 ILE HD13 H 1 0.844 0.030 . 1 . . . . 11 ILE HD1 . 11314 1 58 . 1 1 11 11 ILE HG12 H 1 1.191 0.030 . 2 . . . . 11 ILE HG12 . 11314 1 59 . 1 1 11 11 ILE HG13 H 1 1.479 0.030 . 2 . . . . 11 ILE HG13 . 11314 1 60 . 1 1 11 11 ILE HG21 H 1 0.880 0.030 . 1 . . . . 11 ILE HG2 . 11314 1 61 . 1 1 11 11 ILE HG22 H 1 0.880 0.030 . 1 . . . . 11 ILE HG2 . 11314 1 62 . 1 1 11 11 ILE HG23 H 1 0.880 0.030 . 1 . . . . 11 ILE HG2 . 11314 1 63 . 1 1 11 11 ILE C C 13 176.631 0.300 . 1 . . . . 11 ILE C . 11314 1 64 . 1 1 11 11 ILE CA C 13 61.626 0.300 . 1 . . . . 11 ILE CA . 11314 1 65 . 1 1 11 11 ILE CB C 13 38.448 0.300 . 1 . . . . 11 ILE CB . 11314 1 66 . 1 1 11 11 ILE CD1 C 13 12.939 0.300 . 1 . . . . 11 ILE CD1 . 11314 1 67 . 1 1 11 11 ILE CG1 C 13 27.654 0.300 . 1 . . . . 11 ILE CG1 . 11314 1 68 . 1 1 11 11 ILE CG2 C 13 17.627 0.300 . 1 . . . . 11 ILE CG2 . 11314 1 69 . 1 1 11 11 ILE N N 15 122.356 0.300 . 1 . . . . 11 ILE N . 11314 1 70 . 1 1 12 12 LYS H H 1 8.299 0.030 . 1 . . . . 12 LYS H . 11314 1 71 . 1 1 12 12 LYS HA H 1 4.285 0.030 . 1 . . . . 12 LYS HA . 11314 1 72 . 1 1 12 12 LYS HB2 H 1 1.765 0.030 . 2 . . . . 12 LYS HB2 . 11314 1 73 . 1 1 12 12 LYS HB3 H 1 1.801 0.030 . 2 . . . . 12 LYS HB3 . 11314 1 74 . 1 1 12 12 LYS HD2 H 1 1.661 0.030 . 1 . . . . 12 LYS HD2 . 11314 1 75 . 1 1 12 12 LYS HD3 H 1 1.661 0.030 . 1 . . . . 12 LYS HD3 . 11314 1 76 . 1 1 12 12 LYS HE2 H 1 2.975 0.030 . 1 . . . . 12 LYS HE2 . 11314 1 77 . 1 1 12 12 LYS HE3 H 1 2.975 0.030 . 1 . . . . 12 LYS HE3 . 11314 1 78 . 1 1 12 12 LYS HG2 H 1 1.394 0.030 . 2 . . . . 12 LYS HG2 . 11314 1 79 . 1 1 12 12 LYS HG3 H 1 1.462 0.030 . 2 . . . . 12 LYS HG3 . 11314 1 80 . 1 1 12 12 LYS C C 13 176.728 0.300 . 1 . . . . 12 LYS C . 11314 1 81 . 1 1 12 12 LYS CA C 13 56.351 0.300 . 1 . . . . 12 LYS CA . 11314 1 82 . 1 1 12 12 LYS CB C 13 32.929 0.300 . 1 . . . . 12 LYS CB . 11314 1 83 . 1 1 12 12 LYS CD C 13 29.131 0.300 . 1 . . . . 12 LYS CD . 11314 1 84 . 1 1 12 12 LYS CE C 13 42.002 0.300 . 1 . . . . 12 LYS CE . 11314 1 85 . 1 1 12 12 LYS CG C 13 24.911 0.300 . 1 . . . . 12 LYS CG . 11314 1 86 . 1 1 12 12 LYS N N 15 124.834 0.300 . 1 . . . . 12 LYS N . 11314 1 87 . 1 1 13 13 ARG H H 1 8.263 0.030 . 1 . . . . 13 ARG H . 11314 1 88 . 1 1 13 13 ARG HA H 1 4.283 0.030 . 1 . . . . 13 ARG HA . 11314 1 89 . 1 1 13 13 ARG HB2 H 1 1.833 0.030 . 2 . . . . 13 ARG HB2 . 11314 1 90 . 1 1 13 13 ARG HB3 H 1 1.754 0.030 . 2 . . . . 13 ARG HB3 . 11314 1 91 . 1 1 13 13 ARG HD2 H 1 3.157 0.030 . 1 . . . . 13 ARG HD2 . 11314 1 92 . 1 1 13 13 ARG HD3 H 1 3.157 0.030 . 1 . . . . 13 ARG HD3 . 11314 1 93 . 1 1 13 13 ARG HG2 H 1 1.638 0.030 . 2 . . . . 13 ARG HG2 . 11314 1 94 . 1 1 13 13 ARG HG3 H 1 1.629 0.030 . 2 . . . . 13 ARG HG3 . 11314 1 95 . 1 1 13 13 ARG C C 13 176.533 0.300 . 1 . . . . 13 ARG C . 11314 1 96 . 1 1 13 13 ARG CA C 13 56.358 0.300 . 1 . . . . 13 ARG CA . 11314 1 97 . 1 1 13 13 ARG CB C 13 30.845 0.300 . 1 . . . . 13 ARG CB . 11314 1 98 . 1 1 13 13 ARG CD C 13 43.268 0.300 . 1 . . . . 13 ARG CD . 11314 1 99 . 1 1 13 13 ARG CG C 13 27.249 0.300 . 1 . . . . 13 ARG CG . 11314 1 100 . 1 1 13 13 ARG N N 15 122.141 0.300 . 1 . . . . 13 ARG N . 11314 1 101 . 1 1 14 14 LYS H H 1 8.372 0.030 . 1 . . . . 14 LYS H . 11314 1 102 . 1 1 14 14 LYS HA H 1 4.260 0.030 . 1 . . . . 14 LYS HA . 11314 1 103 . 1 1 14 14 LYS HB2 H 1 1.807 0.030 . 1 . . . . 14 LYS HB2 . 11314 1 104 . 1 1 14 14 LYS HB3 H 1 1.807 0.030 . 1 . . . . 14 LYS HB3 . 11314 1 105 . 1 1 14 14 LYS HD2 H 1 1.657 0.030 . 1 . . . . 14 LYS HD2 . 11314 1 106 . 1 1 14 14 LYS HD3 H 1 1.657 0.030 . 1 . . . . 14 LYS HD3 . 11314 1 107 . 1 1 14 14 LYS HE2 H 1 2.981 0.030 . 1 . . . . 14 LYS HE2 . 11314 1 108 . 1 1 14 14 LYS HE3 H 1 2.981 0.030 . 1 . . . . 14 LYS HE3 . 11314 1 109 . 1 1 14 14 LYS HG2 H 1 1.407 0.030 . 1 . . . . 14 LYS HG2 . 11314 1 110 . 1 1 14 14 LYS HG3 H 1 1.407 0.030 . 1 . . . . 14 LYS HG3 . 11314 1 111 . 1 1 14 14 LYS C C 13 177.217 0.300 . 1 . . . . 14 LYS C . 11314 1 112 . 1 1 14 14 LYS CA C 13 56.984 0.300 . 1 . . . . 14 LYS CA . 11314 1 113 . 1 1 14 14 LYS CB C 13 33.051 0.300 . 1 . . . . 14 LYS CB . 11314 1 114 . 1 1 14 14 LYS CD C 13 29.214 0.300 . 1 . . . . 14 LYS CD . 11314 1 115 . 1 1 14 14 LYS CE C 13 42.221 0.300 . 1 . . . . 14 LYS CE . 11314 1 116 . 1 1 14 14 LYS CG C 13 24.895 0.300 . 1 . . . . 14 LYS CG . 11314 1 117 . 1 1 14 14 LYS N N 15 122.796 0.300 . 1 . . . . 14 LYS N . 11314 1 118 . 1 1 15 15 GLY HA2 H 1 3.935 0.030 . 1 . . . . 15 GLY HA2 . 11314 1 119 . 1 1 15 15 GLY HA3 H 1 3.935 0.030 . 1 . . . . 15 GLY HA3 . 11314 1 120 . 1 1 15 15 GLY C C 13 173.820 0.300 . 1 . . . . 15 GLY C . 11314 1 121 . 1 1 15 15 GLY CA C 13 45.178 0.300 . 1 . . . . 15 GLY CA . 11314 1 122 . 1 1 16 16 ALA H H 1 8.085 0.030 . 1 . . . . 16 ALA H . 11314 1 123 . 1 1 16 16 ALA HA H 1 4.303 0.030 . 1 . . . . 16 ALA HA . 11314 1 124 . 1 1 16 16 ALA HB1 H 1 1.365 0.030 . 1 . . . . 16 ALA HB . 11314 1 125 . 1 1 16 16 ALA HB2 H 1 1.365 0.030 . 1 . . . . 16 ALA HB . 11314 1 126 . 1 1 16 16 ALA HB3 H 1 1.365 0.030 . 1 . . . . 16 ALA HB . 11314 1 127 . 1 1 16 16 ALA C C 13 177.810 0.300 . 1 . . . . 16 ALA C . 11314 1 128 . 1 1 16 16 ALA CA C 13 52.290 0.300 . 1 . . . . 16 ALA CA . 11314 1 129 . 1 1 16 16 ALA CB C 13 19.425 0.300 . 1 . . . . 16 ALA CB . 11314 1 130 . 1 1 16 16 ALA N N 15 123.684 0.300 . 1 . . . . 16 ALA N . 11314 1 131 . 1 1 17 17 LYS H H 1 8.355 0.030 . 1 . . . . 17 LYS H . 11314 1 132 . 1 1 17 17 LYS HA H 1 4.280 0.030 . 1 . . . . 17 LYS HA . 11314 1 133 . 1 1 17 17 LYS HB2 H 1 1.762 0.030 . 1 . . . . 17 LYS HB2 . 11314 1 134 . 1 1 17 17 LYS HB3 H 1 1.762 0.030 . 1 . . . . 17 LYS HB3 . 11314 1 135 . 1 1 17 17 LYS HD2 H 1 1.664 0.030 . 1 . . . . 17 LYS HD2 . 11314 1 136 . 1 1 17 17 LYS HD3 H 1 1.664 0.030 . 1 . . . . 17 LYS HD3 . 11314 1 137 . 1 1 17 17 LYS HE2 H 1 2.976 0.030 . 1 . . . . 17 LYS HE2 . 11314 1 138 . 1 1 17 17 LYS HE3 H 1 2.976 0.030 . 1 . . . . 17 LYS HE3 . 11314 1 139 . 1 1 17 17 LYS HG2 H 1 1.432 0.030 . 1 . . . . 17 LYS HG2 . 11314 1 140 . 1 1 17 17 LYS HG3 H 1 1.432 0.030 . 1 . . . . 17 LYS HG3 . 11314 1 141 . 1 1 17 17 LYS C C 13 176.702 0.300 . 1 . . . . 17 LYS C . 11314 1 142 . 1 1 17 17 LYS CA C 13 56.307 0.300 . 1 . . . . 17 LYS CA . 11314 1 143 . 1 1 17 17 LYS CB C 13 32.961 0.300 . 1 . . . . 17 LYS CB . 11314 1 144 . 1 1 17 17 LYS CD C 13 29.222 0.300 . 1 . . . . 17 LYS CD . 11314 1 145 . 1 1 17 17 LYS CE C 13 42.298 0.300 . 1 . . . . 17 LYS CE . 11314 1 146 . 1 1 17 17 LYS CG C 13 24.946 0.300 . 1 . . . . 17 LYS CG . 11314 1 147 . 1 1 17 17 LYS N N 15 120.940 0.300 . 1 . . . . 17 LYS N . 11314 1 148 . 1 1 18 18 ARG H H 1 8.435 0.030 . 1 . . . . 18 ARG H . 11314 1 149 . 1 1 18 18 ARG C C 13 176.794 0.300 . 1 . . . . 18 ARG C . 11314 1 150 . 1 1 18 18 ARG CA C 13 56.375 0.300 . 1 . . . . 18 ARG CA . 11314 1 151 . 1 1 18 18 ARG CB C 13 30.867 0.300 . 1 . . . . 18 ARG CB . 11314 1 152 . 1 1 18 18 ARG N N 15 122.939 0.300 . 1 . . . . 18 ARG N . 11314 1 153 . 1 1 21 21 GLN HA H 1 4.272 0.030 . 1 . . . . 21 GLN HA . 11314 1 154 . 1 1 21 21 GLN HB2 H 1 1.890 0.030 . 2 . . . . 21 GLN HB2 . 11314 1 155 . 1 1 21 21 GLN HB3 H 1 1.968 0.030 . 2 . . . . 21 GLN HB3 . 11314 1 156 . 1 1 21 21 GLN HE21 H 1 7.458 0.030 . 2 . . . . 21 GLN HE21 . 11314 1 157 . 1 1 21 21 GLN HE22 H 1 6.853 0.030 . 2 . . . . 21 GLN HE22 . 11314 1 158 . 1 1 21 21 GLN HG2 H 1 2.218 0.030 . 1 . . . . 21 GLN HG2 . 11314 1 159 . 1 1 21 21 GLN HG3 H 1 2.218 0.030 . 1 . . . . 21 GLN HG3 . 11314 1 160 . 1 1 21 21 GLN CA C 13 56.102 0.300 . 1 . . . . 21 GLN CA . 11314 1 161 . 1 1 21 21 GLN CB C 13 29.360 0.300 . 1 . . . . 21 GLN CB . 11314 1 162 . 1 1 21 21 GLN CG C 13 33.562 0.300 . 1 . . . . 21 GLN CG . 11314 1 163 . 1 1 21 21 GLN NE2 N 15 112.587 0.300 . 1 . . . . 21 GLN NE2 . 11314 1 164 . 1 1 22 22 HIS HA H 1 4.550 0.030 . 1 . . . . 22 HIS HA . 11314 1 165 . 1 1 22 22 HIS HB2 H 1 2.936 0.030 . 2 . . . . 22 HIS HB2 . 11314 1 166 . 1 1 22 22 HIS HB3 H 1 3.003 0.030 . 2 . . . . 22 HIS HB3 . 11314 1 167 . 1 1 22 22 HIS HD2 H 1 6.895 0.030 . 1 . . . . 22 HIS HD2 . 11314 1 168 . 1 1 22 22 HIS HE1 H 1 7.736 0.030 . 1 . . . . 22 HIS HE1 . 11314 1 169 . 1 1 22 22 HIS CA C 13 56.535 0.300 . 1 . . . . 22 HIS CA . 11314 1 170 . 1 1 22 22 HIS CB C 13 31.241 0.300 . 1 . . . . 22 HIS CB . 11314 1 171 . 1 1 22 22 HIS CD2 C 13 119.882 0.300 . 1 . . . . 22 HIS CD2 . 11314 1 172 . 1 1 22 22 HIS CE1 C 13 138.592 0.300 . 1 . . . . 22 HIS CE1 . 11314 1 173 . 1 1 23 23 TYR HA H 1 4.533 0.030 . 1 . . . . 23 TYR HA . 11314 1 174 . 1 1 23 23 TYR HB2 H 1 3.033 0.030 . 2 . . . . 23 TYR HB2 . 11314 1 175 . 1 1 23 23 TYR HB3 H 1 2.916 0.030 . 2 . . . . 23 TYR HB3 . 11314 1 176 . 1 1 23 23 TYR HD1 H 1 7.058 0.030 . 1 . . . . 23 TYR HD1 . 11314 1 177 . 1 1 23 23 TYR HD2 H 1 7.058 0.030 . 1 . . . . 23 TYR HD2 . 11314 1 178 . 1 1 23 23 TYR HE1 H 1 6.793 0.030 . 1 . . . . 23 TYR HE1 . 11314 1 179 . 1 1 23 23 TYR HE2 H 1 6.793 0.030 . 1 . . . . 23 TYR HE2 . 11314 1 180 . 1 1 23 23 TYR C C 13 174.749 0.300 . 1 . . . . 23 TYR C . 11314 1 181 . 1 1 23 23 TYR CA C 13 58.093 0.300 . 1 . . . . 23 TYR CA . 11314 1 182 . 1 1 23 23 TYR CB C 13 38.837 0.300 . 1 . . . . 23 TYR CB . 11314 1 183 . 1 1 23 23 TYR CD1 C 13 133.179 0.300 . 1 . . . . 23 TYR CD1 . 11314 1 184 . 1 1 23 23 TYR CD2 C 13 133.179 0.300 . 1 . . . . 23 TYR CD2 . 11314 1 185 . 1 1 23 23 TYR CE1 C 13 118.206 0.300 . 1 . . . . 23 TYR CE1 . 11314 1 186 . 1 1 23 23 TYR CE2 C 13 118.206 0.300 . 1 . . . . 23 TYR CE2 . 11314 1 187 . 1 1 24 24 SER HA H 1 4.404 0.030 . 1 . . . . 24 SER HA . 11314 1 188 . 1 1 24 24 SER HB2 H 1 3.873 0.030 . 1 . . . . 24 SER HB2 . 11314 1 189 . 1 1 24 24 SER HB3 H 1 3.873 0.030 . 1 . . . . 24 SER HB3 . 11314 1 190 . 1 1 24 24 SER C C 13 173.979 0.300 . 1 . . . . 24 SER C . 11314 1 191 . 1 1 24 24 SER CA C 13 58.343 0.300 . 1 . . . . 24 SER CA . 11314 1 192 . 1 1 24 24 SER CB C 13 63.914 0.300 . 1 . . . . 24 SER CB . 11314 1 193 . 1 1 25 25 ASP H H 1 8.267 0.030 . 1 . . . . 25 ASP H . 11314 1 194 . 1 1 25 25 ASP HA H 1 4.585 0.030 . 1 . . . . 25 ASP HA . 11314 1 195 . 1 1 25 25 ASP HB2 H 1 2.697 0.030 . 1 . . . . 25 ASP HB2 . 11314 1 196 . 1 1 25 25 ASP HB3 H 1 2.697 0.030 . 1 . . . . 25 ASP HB3 . 11314 1 197 . 1 1 25 25 ASP C C 13 176.050 0.300 . 1 . . . . 25 ASP C . 11314 1 198 . 1 1 25 25 ASP CA C 13 54.394 0.300 . 1 . . . . 25 ASP CA . 11314 1 199 . 1 1 25 25 ASP CB C 13 40.942 0.300 . 1 . . . . 25 ASP CB . 11314 1 200 . 1 1 25 25 ASP N N 15 122.231 0.300 . 1 . . . . 25 ASP N . 11314 1 201 . 1 1 26 26 ARG H H 1 8.231 0.030 . 1 . . . . 26 ARG H . 11314 1 202 . 1 1 26 26 ARG HA H 1 4.481 0.030 . 1 . . . . 26 ARG HA . 11314 1 203 . 1 1 26 26 ARG HB2 H 1 1.758 0.030 . 2 . . . . 26 ARG HB2 . 11314 1 204 . 1 1 26 26 ARG HB3 H 1 1.832 0.030 . 2 . . . . 26 ARG HB3 . 11314 1 205 . 1 1 26 26 ARG HD2 H 1 3.166 0.030 . 1 . . . . 26 ARG HD2 . 11314 1 206 . 1 1 26 26 ARG HD3 H 1 3.166 0.030 . 1 . . . . 26 ARG HD3 . 11314 1 207 . 1 1 26 26 ARG HG2 H 1 1.618 0.030 . 2 . . . . 26 ARG HG2 . 11314 1 208 . 1 1 26 26 ARG HG3 H 1 1.682 0.030 . 2 . . . . 26 ARG HG3 . 11314 1 209 . 1 1 26 26 ARG C C 13 175.647 0.300 . 1 . . . . 26 ARG C . 11314 1 210 . 1 1 26 26 ARG CA C 13 55.384 0.300 . 1 . . . . 26 ARG CA . 11314 1 211 . 1 1 26 26 ARG CB C 13 31.185 0.300 . 1 . . . . 26 ARG CB . 11314 1 212 . 1 1 26 26 ARG CD C 13 43.285 0.300 . 1 . . . . 26 ARG CD . 11314 1 213 . 1 1 26 26 ARG CG C 13 27.249 0.300 . 1 . . . . 26 ARG CG . 11314 1 214 . 1 1 26 26 ARG N N 15 119.722 0.300 . 1 . . . . 26 ARG N . 11314 1 215 . 1 1 27 27 THR H H 1 7.970 0.030 . 1 . . . . 27 THR H . 11314 1 216 . 1 1 27 27 THR HA H 1 4.717 0.030 . 1 . . . . 27 THR HA . 11314 1 217 . 1 1 27 27 THR HB H 1 3.737 0.030 . 1 . . . . 27 THR HB . 11314 1 218 . 1 1 27 27 THR HG21 H 1 0.990 0.030 . 1 . . . . 27 THR HG2 . 11314 1 219 . 1 1 27 27 THR HG22 H 1 0.990 0.030 . 1 . . . . 27 THR HG2 . 11314 1 220 . 1 1 27 27 THR HG23 H 1 0.990 0.030 . 1 . . . . 27 THR HG2 . 11314 1 221 . 1 1 27 27 THR C C 13 172.792 0.300 . 1 . . . . 27 THR C . 11314 1 222 . 1 1 27 27 THR CA C 13 59.623 0.300 . 1 . . . . 27 THR CA . 11314 1 223 . 1 1 27 27 THR CB C 13 72.177 0.300 . 1 . . . . 27 THR CB . 11314 1 224 . 1 1 27 27 THR CG2 C 13 21.956 0.300 . 1 . . . . 27 THR CG2 . 11314 1 225 . 1 1 27 27 THR N N 15 113.263 0.300 . 1 . . . . 27 THR N . 11314 1 226 . 1 1 28 28 CYS H H 1 8.815 0.030 . 1 . . . . 28 CYS H . 11314 1 227 . 1 1 28 28 CYS HA H 1 4.085 0.030 . 1 . . . . 28 CYS HA . 11314 1 228 . 1 1 28 28 CYS HB2 H 1 3.386 0.030 . 2 . . . . 28 CYS HB2 . 11314 1 229 . 1 1 28 28 CYS HB3 H 1 2.693 0.030 . 2 . . . . 28 CYS HB3 . 11314 1 230 . 1 1 28 28 CYS C C 13 177.312 0.300 . 1 . . . . 28 CYS C . 11314 1 231 . 1 1 28 28 CYS CA C 13 59.727 0.300 . 1 . . . . 28 CYS CA . 11314 1 232 . 1 1 28 28 CYS CB C 13 31.217 0.300 . 1 . . . . 28 CYS CB . 11314 1 233 . 1 1 28 28 CYS N N 15 123.563 0.300 . 1 . . . . 28 CYS N . 11314 1 234 . 1 1 29 29 ALA H H 1 9.062 0.030 . 1 . . . . 29 ALA H . 11314 1 235 . 1 1 29 29 ALA HA H 1 4.183 0.030 . 1 . . . . 29 ALA HA . 11314 1 236 . 1 1 29 29 ALA HB1 H 1 1.342 0.030 . 1 . . . . 29 ALA HB . 11314 1 237 . 1 1 29 29 ALA HB2 H 1 1.342 0.030 . 1 . . . . 29 ALA HB . 11314 1 238 . 1 1 29 29 ALA HB3 H 1 1.342 0.030 . 1 . . . . 29 ALA HB . 11314 1 239 . 1 1 29 29 ALA C C 13 177.939 0.300 . 1 . . . . 29 ALA C . 11314 1 240 . 1 1 29 29 ALA CA C 13 54.452 0.300 . 1 . . . . 29 ALA CA . 11314 1 241 . 1 1 29 29 ALA CB C 13 20.057 0.300 . 1 . . . . 29 ALA CB . 11314 1 242 . 1 1 29 29 ALA N N 15 132.008 0.300 . 1 . . . . 29 ALA N . 11314 1 243 . 1 1 30 30 ARG H H 1 9.355 0.030 . 1 . . . . 30 ARG H . 11314 1 244 . 1 1 30 30 ARG HA H 1 4.567 0.030 . 1 . . . . 30 ARG HA . 11314 1 245 . 1 1 30 30 ARG HB2 H 1 2.607 0.030 . 2 . . . . 30 ARG HB2 . 11314 1 246 . 1 1 30 30 ARG HB3 H 1 2.129 0.030 . 2 . . . . 30 ARG HB3 . 11314 1 247 . 1 1 30 30 ARG HD2 H 1 3.081 0.030 . 2 . . . . 30 ARG HD2 . 11314 1 248 . 1 1 30 30 ARG HD3 H 1 3.193 0.030 . 2 . . . . 30 ARG HD3 . 11314 1 249 . 1 1 30 30 ARG HG2 H 1 1.759 0.030 . 2 . . . . 30 ARG HG2 . 11314 1 250 . 1 1 30 30 ARG HG3 H 1 1.890 0.030 . 2 . . . . 30 ARG HG3 . 11314 1 251 . 1 1 30 30 ARG C C 13 177.106 0.300 . 1 . . . . 30 ARG C . 11314 1 252 . 1 1 30 30 ARG CA C 13 55.507 0.300 . 1 . . . . 30 ARG CA . 11314 1 253 . 1 1 30 30 ARG CB C 13 31.099 0.300 . 1 . . . . 30 ARG CB . 11314 1 254 . 1 1 30 30 ARG CD C 13 43.038 0.300 . 1 . . . . 30 ARG CD . 11314 1 255 . 1 1 30 30 ARG CG C 13 27.443 0.300 . 1 . . . . 30 ARG CG . 11314 1 256 . 1 1 30 30 ARG N N 15 116.246 0.300 . 1 . . . . 30 ARG N . 11314 1 257 . 1 1 31 31 CYS H H 1 8.360 0.030 . 1 . . . . 31 CYS H . 11314 1 258 . 1 1 31 31 CYS HA H 1 4.940 0.030 . 1 . . . . 31 CYS HA . 11314 1 259 . 1 1 31 31 CYS HB2 H 1 3.188 0.030 . 2 . . . . 31 CYS HB2 . 11314 1 260 . 1 1 31 31 CYS HB3 H 1 2.546 0.030 . 2 . . . . 31 CYS HB3 . 11314 1 261 . 1 1 31 31 CYS C C 13 175.744 0.300 . 1 . . . . 31 CYS C . 11314 1 262 . 1 1 31 31 CYS CA C 13 59.249 0.300 . 1 . . . . 31 CYS CA . 11314 1 263 . 1 1 31 31 CYS CB C 13 32.467 0.300 . 1 . . . . 31 CYS CB . 11314 1 264 . 1 1 31 31 CYS N N 15 119.827 0.300 . 1 . . . . 31 CYS N . 11314 1 265 . 1 1 32 32 GLN H H 1 7.831 0.030 . 1 . . . . 32 GLN H . 11314 1 266 . 1 1 32 32 GLN HA H 1 4.159 0.030 . 1 . . . . 32 GLN HA . 11314 1 267 . 1 1 32 32 GLN HB2 H 1 2.366 0.030 . 1 . . . . 32 GLN HB2 . 11314 1 268 . 1 1 32 32 GLN HB3 H 1 2.366 0.030 . 1 . . . . 32 GLN HB3 . 11314 1 269 . 1 1 32 32 GLN HE21 H 1 7.271 0.030 . 2 . . . . 32 GLN HE21 . 11314 1 270 . 1 1 32 32 GLN HE22 H 1 6.563 0.030 . 2 . . . . 32 GLN HE22 . 11314 1 271 . 1 1 32 32 GLN HG2 H 1 2.248 0.030 . 1 . . . . 32 GLN HG2 . 11314 1 272 . 1 1 32 32 GLN HG3 H 1 2.248 0.030 . 1 . . . . 32 GLN HG3 . 11314 1 273 . 1 1 32 32 GLN C C 13 174.816 0.300 . 1 . . . . 32 GLN C . 11314 1 274 . 1 1 32 32 GLN CA C 13 58.321 0.300 . 1 . . . . 32 GLN CA . 11314 1 275 . 1 1 32 32 GLN CB C 13 26.243 0.300 . 1 . . . . 32 GLN CB . 11314 1 276 . 1 1 32 32 GLN CG C 13 34.568 0.300 . 1 . . . . 32 GLN CG . 11314 1 277 . 1 1 32 32 GLN N N 15 115.395 0.300 . 1 . . . . 32 GLN N . 11314 1 278 . 1 1 32 32 GLN NE2 N 15 112.611 0.300 . 1 . . . . 32 GLN NE2 . 11314 1 279 . 1 1 33 33 GLU H H 1 8.475 0.030 . 1 . . . . 33 GLU H . 11314 1 280 . 1 1 33 33 GLU HA H 1 4.340 0.030 . 1 . . . . 33 GLU HA . 11314 1 281 . 1 1 33 33 GLU HB2 H 1 2.154 0.030 . 2 . . . . 33 GLU HB2 . 11314 1 282 . 1 1 33 33 GLU HB3 H 1 1.970 0.030 . 2 . . . . 33 GLU HB3 . 11314 1 283 . 1 1 33 33 GLU HG2 H 1 2.394 0.030 . 2 . . . . 33 GLU HG2 . 11314 1 284 . 1 1 33 33 GLU HG3 H 1 2.468 0.030 . 2 . . . . 33 GLU HG3 . 11314 1 285 . 1 1 33 33 GLU C C 13 176.677 0.300 . 1 . . . . 33 GLU C . 11314 1 286 . 1 1 33 33 GLU CA C 13 56.703 0.300 . 1 . . . . 33 GLU CA . 11314 1 287 . 1 1 33 33 GLU CB C 13 30.573 0.300 . 1 . . . . 33 GLU CB . 11314 1 288 . 1 1 33 33 GLU CG C 13 36.727 0.300 . 1 . . . . 33 GLU CG . 11314 1 289 . 1 1 33 33 GLU N N 15 121.033 0.300 . 1 . . . . 33 GLU N . 11314 1 290 . 1 1 34 34 SER H H 1 8.693 0.030 . 1 . . . . 34 SER H . 11314 1 291 . 1 1 34 34 SER HA H 1 4.368 0.030 . 1 . . . . 34 SER HA . 11314 1 292 . 1 1 34 34 SER HB2 H 1 3.948 0.030 . 2 . . . . 34 SER HB2 . 11314 1 293 . 1 1 34 34 SER HB3 H 1 3.834 0.030 . 2 . . . . 34 SER HB3 . 11314 1 294 . 1 1 34 34 SER C C 13 175.701 0.300 . 1 . . . . 34 SER C . 11314 1 295 . 1 1 34 34 SER CA C 13 59.241 0.300 . 1 . . . . 34 SER CA . 11314 1 296 . 1 1 34 34 SER CB C 13 63.525 0.300 . 1 . . . . 34 SER CB . 11314 1 297 . 1 1 34 34 SER N N 15 115.804 0.300 . 1 . . . . 34 SER N . 11314 1 298 . 1 1 35 35 LEU H H 1 8.471 0.030 . 1 . . . . 35 LEU H . 11314 1 299 . 1 1 35 35 LEU HA H 1 4.281 0.030 . 1 . . . . 35 LEU HA . 11314 1 300 . 1 1 35 35 LEU HB2 H 1 1.545 0.030 . 2 . . . . 35 LEU HB2 . 11314 1 301 . 1 1 35 35 LEU HB3 H 1 1.362 0.030 . 2 . . . . 35 LEU HB3 . 11314 1 302 . 1 1 35 35 LEU HD11 H 1 0.626 0.030 . 1 . . . . 35 LEU HD1 . 11314 1 303 . 1 1 35 35 LEU HD12 H 1 0.626 0.030 . 1 . . . . 35 LEU HD1 . 11314 1 304 . 1 1 35 35 LEU HD13 H 1 0.626 0.030 . 1 . . . . 35 LEU HD1 . 11314 1 305 . 1 1 35 35 LEU HD21 H 1 0.632 0.030 . 1 . . . . 35 LEU HD2 . 11314 1 306 . 1 1 35 35 LEU HD22 H 1 0.632 0.030 . 1 . . . . 35 LEU HD2 . 11314 1 307 . 1 1 35 35 LEU HD23 H 1 0.632 0.030 . 1 . . . . 35 LEU HD2 . 11314 1 308 . 1 1 35 35 LEU HG H 1 1.463 0.030 . 1 . . . . 35 LEU HG . 11314 1 309 . 1 1 35 35 LEU C C 13 177.870 0.300 . 1 . . . . 35 LEU C . 11314 1 310 . 1 1 35 35 LEU CA C 13 54.879 0.300 . 1 . . . . 35 LEU CA . 11314 1 311 . 1 1 35 35 LEU CB C 13 42.672 0.300 . 1 . . . . 35 LEU CB . 11314 1 312 . 1 1 35 35 LEU CD1 C 13 26.015 0.300 . 2 . . . . 35 LEU CD1 . 11314 1 313 . 1 1 35 35 LEU CD2 C 13 23.466 0.300 . 2 . . . . 35 LEU CD2 . 11314 1 314 . 1 1 35 35 LEU CG C 13 27.654 0.300 . 1 . . . . 35 LEU CG . 11314 1 315 . 1 1 35 35 LEU N N 15 125.493 0.300 . 1 . . . . 35 LEU N . 11314 1 316 . 1 1 36 36 GLY H H 1 8.346 0.030 . 1 . . . . 36 GLY H . 11314 1 317 . 1 1 36 36 GLY HA2 H 1 3.771 0.030 . 2 . . . . 36 GLY HA2 . 11314 1 318 . 1 1 36 36 GLY HA3 H 1 3.890 0.030 . 2 . . . . 36 GLY HA3 . 11314 1 319 . 1 1 36 36 GLY C C 13 174.420 0.300 . 1 . . . . 36 GLY C . 11314 1 320 . 1 1 36 36 GLY CA C 13 46.071 0.300 . 1 . . . . 36 GLY CA . 11314 1 321 . 1 1 36 36 GLY N N 15 108.151 0.300 . 1 . . . . 36 GLY N . 11314 1 322 . 1 1 37 37 ARG H H 1 8.567 0.030 . 1 . . . . 37 ARG H . 11314 1 323 . 1 1 37 37 ARG HA H 1 4.311 0.030 . 1 . . . . 37 ARG HA . 11314 1 324 . 1 1 37 37 ARG HB2 H 1 1.654 0.030 . 2 . . . . 37 ARG HB2 . 11314 1 325 . 1 1 37 37 ARG HB3 H 1 1.904 0.030 . 2 . . . . 37 ARG HB3 . 11314 1 326 . 1 1 37 37 ARG HD2 H 1 3.137 0.030 . 1 . . . . 37 ARG HD2 . 11314 1 327 . 1 1 37 37 ARG HD3 H 1 3.137 0.030 . 1 . . . . 37 ARG HD3 . 11314 1 328 . 1 1 37 37 ARG HG2 H 1 1.532 0.030 . 1 . . . . 37 ARG HG2 . 11314 1 329 . 1 1 37 37 ARG HG3 H 1 1.532 0.030 . 1 . . . . 37 ARG HG3 . 11314 1 330 . 1 1 37 37 ARG C C 13 176.240 0.300 . 1 . . . . 37 ARG C . 11314 1 331 . 1 1 37 37 ARG CA C 13 55.752 0.300 . 1 . . . . 37 ARG CA . 11314 1 332 . 1 1 37 37 ARG CB C 13 29.719 0.300 . 1 . . . . 37 ARG CB . 11314 1 333 . 1 1 37 37 ARG CD C 13 43.449 0.300 . 1 . . . . 37 ARG CD . 11314 1 334 . 1 1 37 37 ARG CG C 13 27.232 0.300 . 1 . . . . 37 ARG CG . 11314 1 335 . 1 1 37 37 ARG N N 15 122.767 0.300 . 1 . . . . 37 ARG N . 11314 1 336 . 1 1 38 38 LEU H H 1 7.824 0.030 . 1 . . . . 38 LEU H . 11314 1 337 . 1 1 38 38 LEU HA H 1 4.235 0.030 . 1 . . . . 38 LEU HA . 11314 1 338 . 1 1 38 38 LEU HB2 H 1 1.590 0.030 . 2 . . . . 38 LEU HB2 . 11314 1 339 . 1 1 38 38 LEU HB3 H 1 1.407 0.030 . 2 . . . . 38 LEU HB3 . 11314 1 340 . 1 1 38 38 LEU HD11 H 1 0.822 0.030 . 1 . . . . 38 LEU HD1 . 11314 1 341 . 1 1 38 38 LEU HD12 H 1 0.822 0.030 . 1 . . . . 38 LEU HD1 . 11314 1 342 . 1 1 38 38 LEU HD13 H 1 0.822 0.030 . 1 . . . . 38 LEU HD1 . 11314 1 343 . 1 1 38 38 LEU HD21 H 1 0.795 0.030 . 1 . . . . 38 LEU HD2 . 11314 1 344 . 1 1 38 38 LEU HD22 H 1 0.795 0.030 . 1 . . . . 38 LEU HD2 . 11314 1 345 . 1 1 38 38 LEU HD23 H 1 0.795 0.030 . 1 . . . . 38 LEU HD2 . 11314 1 346 . 1 1 38 38 LEU HG H 1 1.645 0.030 . 1 . . . . 38 LEU HG . 11314 1 347 . 1 1 38 38 LEU C C 13 176.831 0.300 . 1 . . . . 38 LEU C . 11314 1 348 . 1 1 38 38 LEU CA C 13 54.989 0.300 . 1 . . . . 38 LEU CA . 11314 1 349 . 1 1 38 38 LEU CB C 13 42.636 0.300 . 1 . . . . 38 LEU CB . 11314 1 350 . 1 1 38 38 LEU CD1 C 13 25.132 0.300 . 2 . . . . 38 LEU CD1 . 11314 1 351 . 1 1 38 38 LEU CD2 C 13 23.475 0.300 . 2 . . . . 38 LEU CD2 . 11314 1 352 . 1 1 38 38 LEU CG C 13 26.810 0.300 . 1 . . . . 38 LEU CG . 11314 1 353 . 1 1 38 38 LEU N N 15 122.466 0.300 . 1 . . . . 38 LEU N . 11314 1 354 . 1 1 39 39 SER H H 1 8.461 0.030 . 1 . . . . 39 SER H . 11314 1 355 . 1 1 39 39 SER HA H 1 4.667 0.030 . 1 . . . . 39 SER HA . 11314 1 356 . 1 1 39 39 SER HB2 H 1 3.896 0.030 . 2 . . . . 39 SER HB2 . 11314 1 357 . 1 1 39 39 SER HB3 H 1 3.990 0.030 . 2 . . . . 39 SER HB3 . 11314 1 358 . 1 1 39 39 SER C C 13 177.371 0.300 . 1 . . . . 39 SER C . 11314 1 359 . 1 1 39 39 SER CA C 13 55.885 0.300 . 1 . . . . 39 SER CA . 11314 1 360 . 1 1 39 39 SER CB C 13 63.736 0.300 . 1 . . . . 39 SER CB . 11314 1 361 . 1 1 39 39 SER N N 15 116.846 0.300 . 1 . . . . 39 SER N . 11314 1 362 . 1 1 40 40 PRO HA H 1 4.165 0.030 . 1 . . . . 40 PRO HA . 11314 1 363 . 1 1 40 40 PRO HB2 H 1 1.975 0.030 . 2 . . . . 40 PRO HB2 . 11314 1 364 . 1 1 40 40 PRO HB3 H 1 2.300 0.030 . 2 . . . . 40 PRO HB3 . 11314 1 365 . 1 1 40 40 PRO HD2 H 1 3.907 0.030 . 2 . . . . 40 PRO HD2 . 11314 1 366 . 1 1 40 40 PRO HD3 H 1 3.937 0.030 . 2 . . . . 40 PRO HD3 . 11314 1 367 . 1 1 40 40 PRO HG2 H 1 1.944 0.030 . 2 . . . . 40 PRO HG2 . 11314 1 368 . 1 1 40 40 PRO HG3 H 1 2.119 0.030 . 2 . . . . 40 PRO HG3 . 11314 1 369 . 1 1 40 40 PRO CA C 13 65.002 0.300 . 1 . . . . 40 PRO CA . 11314 1 370 . 1 1 40 40 PRO CB C 13 32.296 0.300 . 1 . . . . 40 PRO CB . 11314 1 371 . 1 1 40 40 PRO CD C 13 51.092 0.300 . 1 . . . . 40 PRO CD . 11314 1 372 . 1 1 40 40 PRO CG C 13 27.654 0.300 . 1 . . . . 40 PRO CG . 11314 1 373 . 1 1 41 41 LYS HA H 1 4.123 0.030 . 1 . . . . 41 LYS HA . 11314 1 374 . 1 1 41 41 LYS HB2 H 1 1.891 0.030 . 1 . . . . 41 LYS HB2 . 11314 1 375 . 1 1 41 41 LYS HB3 H 1 1.891 0.030 . 1 . . . . 41 LYS HB3 . 11314 1 376 . 1 1 41 41 LYS HD2 H 1 1.708 0.030 . 1 . . . . 41 LYS HD2 . 11314 1 377 . 1 1 41 41 LYS HD3 H 1 1.708 0.030 . 1 . . . . 41 LYS HD3 . 11314 1 378 . 1 1 41 41 LYS HG2 H 1 1.499 0.030 . 2 . . . . 41 LYS HG2 . 11314 1 379 . 1 1 41 41 LYS HG3 H 1 1.448 0.030 . 2 . . . . 41 LYS HG3 . 11314 1 380 . 1 1 41 41 LYS CA C 13 59.094 0.300 . 1 . . . . 41 LYS CA . 11314 1 381 . 1 1 41 41 LYS CB C 13 32.438 0.300 . 1 . . . . 41 LYS CB . 11314 1 382 . 1 1 41 41 LYS CD C 13 29.146 0.300 . 1 . . . . 41 LYS CD . 11314 1 383 . 1 1 41 41 LYS CE C 13 42.153 0.300 . 1 . . . . 41 LYS CE . 11314 1 384 . 1 1 41 41 LYS CG C 13 25.122 0.300 . 1 . . . . 41 LYS CG . 11314 1 385 . 1 1 42 42 THR HA H 1 4.595 0.030 . 1 . . . . 42 THR HA . 11314 1 386 . 1 1 42 42 THR HB H 1 4.536 0.030 . 1 . . . . 42 THR HB . 11314 1 387 . 1 1 42 42 THR HG21 H 1 1.241 0.030 . 1 . . . . 42 THR HG2 . 11314 1 388 . 1 1 42 42 THR HG22 H 1 1.241 0.030 . 1 . . . . 42 THR HG2 . 11314 1 389 . 1 1 42 42 THR HG23 H 1 1.241 0.030 . 1 . . . . 42 THR HG2 . 11314 1 390 . 1 1 42 42 THR C C 13 175.010 0.300 . 1 . . . . 42 THR C . 11314 1 391 . 1 1 42 42 THR CA C 13 62.143 0.300 . 1 . . . . 42 THR CA . 11314 1 392 . 1 1 42 42 THR CB C 13 69.054 0.300 . 1 . . . . 42 THR CB . 11314 1 393 . 1 1 42 42 THR CG2 C 13 22.479 0.300 . 1 . . . . 42 THR CG2 . 11314 1 394 . 1 1 43 43 ASN H H 1 7.641 0.030 . 1 . . . . 43 ASN H . 11314 1 395 . 1 1 43 43 ASN HA H 1 5.351 0.030 . 1 . . . . 43 ASN HA . 11314 1 396 . 1 1 43 43 ASN HB2 H 1 3.137 0.030 . 2 . . . . 43 ASN HB2 . 11314 1 397 . 1 1 43 43 ASN HB3 H 1 2.397 0.030 . 2 . . . . 43 ASN HB3 . 11314 1 398 . 1 1 43 43 ASN HD21 H 1 6.965 0.030 . 2 . . . . 43 ASN HD21 . 11314 1 399 . 1 1 43 43 ASN HD22 H 1 8.277 0.030 . 2 . . . . 43 ASN HD22 . 11314 1 400 . 1 1 43 43 ASN C C 13 172.478 0.300 . 1 . . . . 43 ASN C . 11314 1 401 . 1 1 43 43 ASN CA C 13 53.841 0.300 . 1 . . . . 43 ASN CA . 11314 1 402 . 1 1 43 43 ASN CB C 13 40.146 0.300 . 1 . . . . 43 ASN CB . 11314 1 403 . 1 1 43 43 ASN N N 15 118.851 0.300 . 1 . . . . 43 ASN N . 11314 1 404 . 1 1 43 43 ASN ND2 N 15 118.872 0.300 . 1 . . . . 43 ASN ND2 . 11314 1 405 . 1 1 44 44 THR H H 1 7.902 0.030 . 1 . . . . 44 THR H . 11314 1 406 . 1 1 44 44 THR HA H 1 4.821 0.030 . 1 . . . . 44 THR HA . 11314 1 407 . 1 1 44 44 THR HB H 1 3.887 0.030 . 1 . . . . 44 THR HB . 11314 1 408 . 1 1 44 44 THR HG21 H 1 0.907 0.030 . 1 . . . . 44 THR HG2 . 11314 1 409 . 1 1 44 44 THR HG22 H 1 0.907 0.030 . 1 . . . . 44 THR HG2 . 11314 1 410 . 1 1 44 44 THR HG23 H 1 0.907 0.030 . 1 . . . . 44 THR HG2 . 11314 1 411 . 1 1 44 44 THR C C 13 173.932 0.300 . 1 . . . . 44 THR C . 11314 1 412 . 1 1 44 44 THR CA C 13 62.345 0.300 . 1 . . . . 44 THR CA . 11314 1 413 . 1 1 44 44 THR CB C 13 70.277 0.300 . 1 . . . . 44 THR CB . 11314 1 414 . 1 1 44 44 THR CG2 C 13 20.901 0.300 . 1 . . . . 44 THR CG2 . 11314 1 415 . 1 1 44 44 THR N N 15 115.355 0.300 . 1 . . . . 44 THR N . 11314 1 416 . 1 1 45 45 CYS H H 1 9.207 0.030 . 1 . . . . 45 CYS H . 11314 1 417 . 1 1 45 45 CYS HA H 1 3.735 0.030 . 1 . . . . 45 CYS HA . 11314 1 418 . 1 1 45 45 CYS HB2 H 1 2.968 0.030 . 2 . . . . 45 CYS HB2 . 11314 1 419 . 1 1 45 45 CYS HB3 H 1 3.717 0.030 . 2 . . . . 45 CYS HB3 . 11314 1 420 . 1 1 45 45 CYS C C 13 176.801 0.300 . 1 . . . . 45 CYS C . 11314 1 421 . 1 1 45 45 CYS CA C 13 59.523 0.300 . 1 . . . . 45 CYS CA . 11314 1 422 . 1 1 45 45 CYS CB C 13 30.948 0.300 . 1 . . . . 45 CYS CB . 11314 1 423 . 1 1 45 45 CYS N N 15 130.754 0.300 . 1 . . . . 45 CYS N . 11314 1 424 . 1 1 46 46 ARG H H 1 8.643 0.030 . 1 . . . . 46 ARG H . 11314 1 425 . 1 1 46 46 ARG HA H 1 4.133 0.030 . 1 . . . . 46 ARG HA . 11314 1 426 . 1 1 46 46 ARG HB2 H 1 1.698 0.030 . 2 . . . . 46 ARG HB2 . 11314 1 427 . 1 1 46 46 ARG HB3 H 1 1.748 0.030 . 2 . . . . 46 ARG HB3 . 11314 1 428 . 1 1 46 46 ARG HD2 H 1 3.095 0.030 . 1 . . . . 46 ARG HD2 . 11314 1 429 . 1 1 46 46 ARG HD3 H 1 3.095 0.030 . 1 . . . . 46 ARG HD3 . 11314 1 430 . 1 1 46 46 ARG HG2 H 1 1.413 0.030 . 2 . . . . 46 ARG HG2 . 11314 1 431 . 1 1 46 46 ARG HG3 H 1 1.596 0.030 . 2 . . . . 46 ARG HG3 . 11314 1 432 . 1 1 46 46 ARG C C 13 176.966 0.300 . 1 . . . . 46 ARG C . 11314 1 433 . 1 1 46 46 ARG CA C 13 57.137 0.300 . 1 . . . . 46 ARG CA . 11314 1 434 . 1 1 46 46 ARG CB C 13 29.237 0.300 . 1 . . . . 46 ARG CB . 11314 1 435 . 1 1 46 46 ARG CD C 13 42.956 0.300 . 1 . . . . 46 ARG CD . 11314 1 436 . 1 1 46 46 ARG CG C 13 26.591 0.300 . 1 . . . . 46 ARG CG . 11314 1 437 . 1 1 46 46 ARG N N 15 129.993 0.300 . 1 . . . . 46 ARG N . 11314 1 438 . 1 1 47 47 GLY H H 1 9.416 0.030 . 1 . . . . 47 GLY H . 11314 1 439 . 1 1 47 47 GLY HA2 H 1 4.246 0.030 . 2 . . . . 47 GLY HA2 . 11314 1 440 . 1 1 47 47 GLY HA3 H 1 4.002 0.030 . 2 . . . . 47 GLY HA3 . 11314 1 441 . 1 1 47 47 GLY C C 13 174.829 0.300 . 1 . . . . 47 GLY C . 11314 1 442 . 1 1 47 47 GLY CA C 13 46.648 0.300 . 1 . . . . 47 GLY CA . 11314 1 443 . 1 1 47 47 GLY N N 15 113.071 0.300 . 1 . . . . 47 GLY N . 11314 1 444 . 1 1 48 48 CYS H H 1 7.248 0.030 . 1 . . . . 48 CYS H . 11314 1 445 . 1 1 48 48 CYS HA H 1 4.727 0.030 . 1 . . . . 48 CYS HA . 11314 1 446 . 1 1 48 48 CYS HB2 H 1 2.976 0.030 . 2 . . . . 48 CYS HB2 . 11314 1 447 . 1 1 48 48 CYS HB3 H 1 2.508 0.030 . 2 . . . . 48 CYS HB3 . 11314 1 448 . 1 1 48 48 CYS C C 13 175.658 0.300 . 1 . . . . 48 CYS C . 11314 1 449 . 1 1 48 48 CYS CA C 13 57.124 0.300 . 1 . . . . 48 CYS CA . 11314 1 450 . 1 1 48 48 CYS CB C 13 32.425 0.300 . 1 . . . . 48 CYS CB . 11314 1 451 . 1 1 48 48 CYS N N 15 117.057 0.300 . 1 . . . . 48 CYS N . 11314 1 452 . 1 1 49 49 ASN H H 1 8.562 0.030 . 1 . . . . 49 ASN H . 11314 1 453 . 1 1 49 49 ASN HA H 1 4.293 0.030 . 1 . . . . 49 ASN HA . 11314 1 454 . 1 1 49 49 ASN HB2 H 1 2.988 0.030 . 2 . . . . 49 ASN HB2 . 11314 1 455 . 1 1 49 49 ASN HB3 H 1 2.685 0.030 . 2 . . . . 49 ASN HB3 . 11314 1 456 . 1 1 49 49 ASN HD21 H 1 6.698 0.030 . 2 . . . . 49 ASN HD21 . 11314 1 457 . 1 1 49 49 ASN HD22 H 1 7.385 0.030 . 2 . . . . 49 ASN HD22 . 11314 1 458 . 1 1 49 49 ASN C C 13 174.016 0.300 . 1 . . . . 49 ASN C . 11314 1 459 . 1 1 49 49 ASN CA C 13 55.145 0.300 . 1 . . . . 49 ASN CA . 11314 1 460 . 1 1 49 49 ASN CB C 13 37.813 0.300 . 1 . . . . 49 ASN CB . 11314 1 461 . 1 1 49 49 ASN N N 15 119.373 0.300 . 1 . . . . 49 ASN N . 11314 1 462 . 1 1 49 49 ASN ND2 N 15 112.390 0.300 . 1 . . . . 49 ASN ND2 . 11314 1 463 . 1 1 50 50 HIS H H 1 7.963 0.030 . 1 . . . . 50 HIS H . 11314 1 464 . 1 1 50 50 HIS HA H 1 4.935 0.030 . 1 . . . . 50 HIS HA . 11314 1 465 . 1 1 50 50 HIS HB2 H 1 3.462 0.030 . 2 . . . . 50 HIS HB2 . 11314 1 466 . 1 1 50 50 HIS HB3 H 1 2.960 0.030 . 2 . . . . 50 HIS HB3 . 11314 1 467 . 1 1 50 50 HIS HD2 H 1 7.002 0.030 . 1 . . . . 50 HIS HD2 . 11314 1 468 . 1 1 50 50 HIS HE1 H 1 7.834 0.030 . 1 . . . . 50 HIS HE1 . 11314 1 469 . 1 1 50 50 HIS C C 13 175.187 0.300 . 1 . . . . 50 HIS C . 11314 1 470 . 1 1 50 50 HIS CA C 13 55.943 0.300 . 1 . . . . 50 HIS CA . 11314 1 471 . 1 1 50 50 HIS CB C 13 31.836 0.300 . 1 . . . . 50 HIS CB . 11314 1 472 . 1 1 50 50 HIS CD2 C 13 121.052 0.300 . 1 . . . . 50 HIS CD2 . 11314 1 473 . 1 1 50 50 HIS CE1 C 13 138.364 0.300 . 1 . . . . 50 HIS CE1 . 11314 1 474 . 1 1 50 50 HIS N N 15 117.053 0.300 . 1 . . . . 50 HIS N . 11314 1 475 . 1 1 51 51 LEU H H 1 8.842 0.030 . 1 . . . . 51 LEU H . 11314 1 476 . 1 1 51 51 LEU HA H 1 4.831 0.030 . 1 . . . . 51 LEU HA . 11314 1 477 . 1 1 51 51 LEU HB2 H 1 1.454 0.030 . 2 . . . . 51 LEU HB2 . 11314 1 478 . 1 1 51 51 LEU HB3 H 1 1.805 0.030 . 2 . . . . 51 LEU HB3 . 11314 1 479 . 1 1 51 51 LEU HD11 H 1 0.768 0.030 . 1 . . . . 51 LEU HD1 . 11314 1 480 . 1 1 51 51 LEU HD12 H 1 0.768 0.030 . 1 . . . . 51 LEU HD1 . 11314 1 481 . 1 1 51 51 LEU HD13 H 1 0.768 0.030 . 1 . . . . 51 LEU HD1 . 11314 1 482 . 1 1 51 51 LEU HD21 H 1 0.875 0.030 . 1 . . . . 51 LEU HD2 . 11314 1 483 . 1 1 51 51 LEU HD22 H 1 0.875 0.030 . 1 . . . . 51 LEU HD2 . 11314 1 484 . 1 1 51 51 LEU HD23 H 1 0.875 0.030 . 1 . . . . 51 LEU HD2 . 11314 1 485 . 1 1 51 51 LEU HG H 1 1.671 0.030 . 1 . . . . 51 LEU HG . 11314 1 486 . 1 1 51 51 LEU C C 13 176.646 0.300 . 1 . . . . 51 LEU C . 11314 1 487 . 1 1 51 51 LEU CA C 13 55.088 0.300 . 1 . . . . 51 LEU CA . 11314 1 488 . 1 1 51 51 LEU CB C 13 42.636 0.300 . 1 . . . . 51 LEU CB . 11314 1 489 . 1 1 51 51 LEU CD1 C 13 25.132 0.300 . 2 . . . . 51 LEU CD1 . 11314 1 490 . 1 1 51 51 LEU CD2 C 13 25.765 0.300 . 2 . . . . 51 LEU CD2 . 11314 1 491 . 1 1 51 51 LEU CG C 13 27.084 0.300 . 1 . . . . 51 LEU CG . 11314 1 492 . 1 1 51 51 LEU N N 15 123.407 0.300 . 1 . . . . 51 LEU N . 11314 1 493 . 1 1 52 52 VAL H H 1 8.450 0.030 . 1 . . . . 52 VAL H . 11314 1 494 . 1 1 52 52 VAL HA H 1 5.710 0.030 . 1 . . . . 52 VAL HA . 11314 1 495 . 1 1 52 52 VAL HB H 1 2.180 0.030 . 1 . . . . 52 VAL HB . 11314 1 496 . 1 1 52 52 VAL HG11 H 1 1.144 0.030 . 1 . . . . 52 VAL HG1 . 11314 1 497 . 1 1 52 52 VAL HG12 H 1 1.144 0.030 . 1 . . . . 52 VAL HG1 . 11314 1 498 . 1 1 52 52 VAL HG13 H 1 1.144 0.030 . 1 . . . . 52 VAL HG1 . 11314 1 499 . 1 1 52 52 VAL HG21 H 1 1.085 0.030 . 1 . . . . 52 VAL HG2 . 11314 1 500 . 1 1 52 52 VAL HG22 H 1 1.085 0.030 . 1 . . . . 52 VAL HG2 . 11314 1 501 . 1 1 52 52 VAL HG23 H 1 1.085 0.030 . 1 . . . . 52 VAL HG2 . 11314 1 502 . 1 1 52 52 VAL C C 13 175.100 0.300 . 1 . . . . 52 VAL C . 11314 1 503 . 1 1 52 52 VAL CA C 13 59.263 0.300 . 1 . . . . 52 VAL CA . 11314 1 504 . 1 1 52 52 VAL CB C 13 36.772 0.300 . 1 . . . . 52 VAL CB . 11314 1 505 . 1 1 52 52 VAL CG1 C 13 23.233 0.300 . 2 . . . . 52 VAL CG1 . 11314 1 506 . 1 1 52 52 VAL CG2 C 13 21.546 0.300 . 2 . . . . 52 VAL CG2 . 11314 1 507 . 1 1 52 52 VAL N N 15 118.917 0.300 . 1 . . . . 52 VAL N . 11314 1 508 . 1 1 53 53 CYS H H 1 9.625 0.030 . 1 . . . . 53 CYS H . 11314 1 509 . 1 1 53 53 CYS HA H 1 4.471 0.030 . 1 . . . . 53 CYS HA . 11314 1 510 . 1 1 53 53 CYS HB2 H 1 3.404 0.030 . 2 . . . . 53 CYS HB2 . 11314 1 511 . 1 1 53 53 CYS HB3 H 1 2.650 0.030 . 2 . . . . 53 CYS HB3 . 11314 1 512 . 1 1 53 53 CYS C C 13 176.382 0.300 . 1 . . . . 53 CYS C . 11314 1 513 . 1 1 53 53 CYS CA C 13 57.956 0.300 . 1 . . . . 53 CYS CA . 11314 1 514 . 1 1 53 53 CYS CB C 13 31.255 0.300 . 1 . . . . 53 CYS CB . 11314 1 515 . 1 1 53 53 CYS N N 15 126.227 0.300 . 1 . . . . 53 CYS N . 11314 1 516 . 1 1 54 54 ARG H H 1 8.486 0.030 . 1 . . . . 54 ARG H . 11314 1 517 . 1 1 54 54 ARG HA H 1 3.386 0.030 . 1 . . . . 54 ARG HA . 11314 1 518 . 1 1 54 54 ARG HB2 H 1 1.702 0.030 . 1 . . . . 54 ARG HB2 . 11314 1 519 . 1 1 54 54 ARG HB3 H 1 1.702 0.030 . 1 . . . . 54 ARG HB3 . 11314 1 520 . 1 1 54 54 ARG HD2 H 1 3.094 0.030 . 1 . . . . 54 ARG HD2 . 11314 1 521 . 1 1 54 54 ARG HD3 H 1 3.094 0.030 . 1 . . . . 54 ARG HD3 . 11314 1 522 . 1 1 54 54 ARG HG2 H 1 1.413 0.030 . 2 . . . . 54 ARG HG2 . 11314 1 523 . 1 1 54 54 ARG HG3 H 1 1.572 0.030 . 2 . . . . 54 ARG HG3 . 11314 1 524 . 1 1 54 54 ARG C C 13 177.421 0.300 . 1 . . . . 54 ARG C . 11314 1 525 . 1 1 54 54 ARG CA C 13 59.305 0.300 . 1 . . . . 54 ARG CA . 11314 1 526 . 1 1 54 54 ARG CB C 13 30.043 0.300 . 1 . . . . 54 ARG CB . 11314 1 527 . 1 1 54 54 ARG CD C 13 43.285 0.300 . 1 . . . . 54 ARG CD . 11314 1 528 . 1 1 54 54 ARG CG C 13 27.443 0.300 . 1 . . . . 54 ARG CG . 11314 1 529 . 1 1 54 54 ARG N N 15 116.579 0.300 . 1 . . . . 54 ARG N . 11314 1 530 . 1 1 55 55 ASP H H 1 8.465 0.030 . 1 . . . . 55 ASP H . 11314 1 531 . 1 1 55 55 ASP HA H 1 4.633 0.030 . 1 . . . . 55 ASP HA . 11314 1 532 . 1 1 55 55 ASP HB2 H 1 2.716 0.030 . 2 . . . . 55 ASP HB2 . 11314 1 533 . 1 1 55 55 ASP HB3 H 1 2.763 0.030 . 2 . . . . 55 ASP HB3 . 11314 1 534 . 1 1 55 55 ASP C C 13 177.471 0.300 . 1 . . . . 55 ASP C . 11314 1 535 . 1 1 55 55 ASP CA C 13 56.570 0.300 . 1 . . . . 55 ASP CA . 11314 1 536 . 1 1 55 55 ASP CB C 13 41.813 0.300 . 1 . . . . 55 ASP CB . 11314 1 537 . 1 1 55 55 ASP N N 15 120.768 0.300 . 1 . . . . 55 ASP N . 11314 1 538 . 1 1 56 56 CYS H H 1 7.489 0.030 . 1 . . . . 56 CYS H . 11314 1 539 . 1 1 56 56 CYS HA H 1 4.186 0.030 . 1 . . . . 56 CYS HA . 11314 1 540 . 1 1 56 56 CYS HB2 H 1 3.256 0.030 . 2 . . . . 56 CYS HB2 . 11314 1 541 . 1 1 56 56 CYS HB3 H 1 2.716 0.030 . 2 . . . . 56 CYS HB3 . 11314 1 542 . 1 1 56 56 CYS C C 13 173.901 0.300 . 1 . . . . 56 CYS C . 11314 1 543 . 1 1 56 56 CYS CA C 13 61.554 0.300 . 1 . . . . 56 CYS CA . 11314 1 544 . 1 1 56 56 CYS CB C 13 29.554 0.300 . 1 . . . . 56 CYS CB . 11314 1 545 . 1 1 56 56 CYS N N 15 121.352 0.300 . 1 . . . . 56 CYS N . 11314 1 546 . 1 1 57 57 ARG H H 1 7.006 0.030 . 1 . . . . 57 ARG H . 11314 1 547 . 1 1 57 57 ARG HA H 1 4.717 0.030 . 1 . . . . 57 ARG HA . 11314 1 548 . 1 1 57 57 ARG HB2 H 1 1.507 0.030 . 2 . . . . 57 ARG HB2 . 11314 1 549 . 1 1 57 57 ARG HB3 H 1 1.248 0.030 . 2 . . . . 57 ARG HB3 . 11314 1 550 . 1 1 57 57 ARG HD2 H 1 2.135 0.030 . 2 . . . . 57 ARG HD2 . 11314 1 551 . 1 1 57 57 ARG HD3 H 1 1.048 0.030 . 2 . . . . 57 ARG HD3 . 11314 1 552 . 1 1 57 57 ARG HG2 H 1 1.527 0.030 . 2 . . . . 57 ARG HG2 . 11314 1 553 . 1 1 57 57 ARG HG3 H 1 0.791 0.030 . 2 . . . . 57 ARG HG3 . 11314 1 554 . 1 1 57 57 ARG C C 13 174.544 0.300 . 1 . . . . 57 ARG C . 11314 1 555 . 1 1 57 57 ARG CA C 13 55.281 0.300 . 1 . . . . 57 ARG CA . 11314 1 556 . 1 1 57 57 ARG CB C 13 33.620 0.300 . 1 . . . . 57 ARG CB . 11314 1 557 . 1 1 57 57 ARG CD C 13 42.791 0.300 . 1 . . . . 57 ARG CD . 11314 1 558 . 1 1 57 57 ARG CG C 13 25.275 0.300 . 1 . . . . 57 ARG CG . 11314 1 559 . 1 1 57 57 ARG N N 15 116.536 0.300 . 1 . . . . 57 ARG N . 11314 1 560 . 1 1 58 58 ILE H H 1 9.161 0.030 . 1 . . . . 58 ILE H . 11314 1 561 . 1 1 58 58 ILE HA H 1 4.360 0.030 . 1 . . . . 58 ILE HA . 11314 1 562 . 1 1 58 58 ILE HB H 1 1.969 0.030 . 1 . . . . 58 ILE HB . 11314 1 563 . 1 1 58 58 ILE HD11 H 1 0.834 0.030 . 1 . . . . 58 ILE HD1 . 11314 1 564 . 1 1 58 58 ILE HD12 H 1 0.834 0.030 . 1 . . . . 58 ILE HD1 . 11314 1 565 . 1 1 58 58 ILE HD13 H 1 0.834 0.030 . 1 . . . . 58 ILE HD1 . 11314 1 566 . 1 1 58 58 ILE HG12 H 1 1.215 0.030 . 2 . . . . 58 ILE HG12 . 11314 1 567 . 1 1 58 58 ILE HG13 H 1 1.413 0.030 . 2 . . . . 58 ILE HG13 . 11314 1 568 . 1 1 58 58 ILE HG21 H 1 0.873 0.030 . 1 . . . . 58 ILE HG2 . 11314 1 569 . 1 1 58 58 ILE HG22 H 1 0.873 0.030 . 1 . . . . 58 ILE HG2 . 11314 1 570 . 1 1 58 58 ILE HG23 H 1 0.873 0.030 . 1 . . . . 58 ILE HG2 . 11314 1 571 . 1 1 58 58 ILE C C 13 175.714 0.300 . 1 . . . . 58 ILE C . 11314 1 572 . 1 1 58 58 ILE CA C 13 59.442 0.300 . 1 . . . . 58 ILE CA . 11314 1 573 . 1 1 58 58 ILE CB C 13 38.463 0.300 . 1 . . . . 58 ILE CB . 11314 1 574 . 1 1 58 58 ILE CD1 C 13 11.385 0.300 . 1 . . . . 58 ILE CD1 . 11314 1 575 . 1 1 58 58 ILE CG1 C 13 26.810 0.300 . 1 . . . . 58 ILE CG1 . 11314 1 576 . 1 1 58 58 ILE CG2 C 13 17.104 0.300 . 1 . . . . 58 ILE CG2 . 11314 1 577 . 1 1 58 58 ILE N N 15 122.404 0.300 . 1 . . . . 58 ILE N . 11314 1 578 . 1 1 59 59 GLN H H 1 8.759 0.030 . 1 . . . . 59 GLN H . 11314 1 579 . 1 1 59 59 GLN HA H 1 4.537 0.030 . 1 . . . . 59 GLN HA . 11314 1 580 . 1 1 59 59 GLN HB2 H 1 2.187 0.030 . 2 . . . . 59 GLN HB2 . 11314 1 581 . 1 1 59 59 GLN HB3 H 1 1.970 0.030 . 2 . . . . 59 GLN HB3 . 11314 1 582 . 1 1 59 59 GLN HE21 H 1 7.529 0.030 . 2 . . . . 59 GLN HE21 . 11314 1 583 . 1 1 59 59 GLN HE22 H 1 6.659 0.030 . 2 . . . . 59 GLN HE22 . 11314 1 584 . 1 1 59 59 GLN HG2 H 1 2.432 0.030 . 1 . . . . 59 GLN HG2 . 11314 1 585 . 1 1 59 59 GLN HG3 H 1 2.432 0.030 . 1 . . . . 59 GLN HG3 . 11314 1 586 . 1 1 59 59 GLN C C 13 176.034 0.300 . 1 . . . . 59 GLN C . 11314 1 587 . 1 1 59 59 GLN CA C 13 55.929 0.300 . 1 . . . . 59 GLN CA . 11314 1 588 . 1 1 59 59 GLN CB C 13 29.332 0.300 . 1 . . . . 59 GLN CB . 11314 1 589 . 1 1 59 59 GLN CG C 13 33.581 0.300 . 1 . . . . 59 GLN CG . 11314 1 590 . 1 1 59 59 GLN N N 15 126.796 0.300 . 1 . . . . 59 GLN N . 11314 1 591 . 1 1 59 59 GLN NE2 N 15 111.681 0.300 . 1 . . . . 59 GLN NE2 . 11314 1 592 . 1 1 60 60 GLU H H 1 8.869 0.030 . 1 . . . . 60 GLU H . 11314 1 593 . 1 1 60 60 GLU HA H 1 4.649 0.030 . 1 . . . . 60 GLU HA . 11314 1 594 . 1 1 60 60 GLU HB2 H 1 1.942 0.030 . 2 . . . . 60 GLU HB2 . 11314 1 595 . 1 1 60 60 GLU HB3 H 1 2.163 0.030 . 2 . . . . 60 GLU HB3 . 11314 1 596 . 1 1 60 60 GLU HG2 H 1 2.153 0.030 . 2 . . . . 60 GLU HG2 . 11314 1 597 . 1 1 60 60 GLU HG3 H 1 2.324 0.030 . 2 . . . . 60 GLU HG3 . 11314 1 598 . 1 1 60 60 GLU C C 13 177.759 0.300 . 1 . . . . 60 GLU C . 11314 1 599 . 1 1 60 60 GLU CA C 13 55.344 0.300 . 1 . . . . 60 GLU CA . 11314 1 600 . 1 1 60 60 GLU CB C 13 31.030 0.300 . 1 . . . . 60 GLU CB . 11314 1 601 . 1 1 60 60 GLU CG C 13 36.716 0.300 . 1 . . . . 60 GLU CG . 11314 1 602 . 1 1 60 60 GLU N N 15 124.744 0.300 . 1 . . . . 60 GLU N . 11314 1 603 . 1 1 62 62 ASN HA H 1 4.623 0.030 . 1 . . . . 62 ASN HA . 11314 1 604 . 1 1 62 62 ASN HB2 H 1 3.093 0.030 . 2 . . . . 62 ASN HB2 . 11314 1 605 . 1 1 62 62 ASN HB3 H 1 2.918 0.030 . 2 . . . . 62 ASN HB3 . 11314 1 606 . 1 1 62 62 ASN HD21 H 1 6.967 0.030 . 2 . . . . 62 ASN HD21 . 11314 1 607 . 1 1 62 62 ASN HD22 H 1 7.668 0.030 . 2 . . . . 62 ASN HD22 . 11314 1 608 . 1 1 62 62 ASN C C 13 176.049 0.300 . 1 . . . . 62 ASN C . 11314 1 609 . 1 1 62 62 ASN CA C 13 53.224 0.300 . 1 . . . . 62 ASN CA . 11314 1 610 . 1 1 62 62 ASN CB C 13 37.496 0.300 . 1 . . . . 62 ASN CB . 11314 1 611 . 1 1 62 62 ASN ND2 N 15 112.587 0.300 . 1 . . . . 62 ASN ND2 . 11314 1 612 . 1 1 63 63 GLY H H 1 8.311 0.030 . 1 . . . . 63 GLY H . 11314 1 613 . 1 1 63 63 GLY HA2 H 1 4.310 0.030 . 2 . . . . 63 GLY HA2 . 11314 1 614 . 1 1 63 63 GLY HA3 H 1 3.877 0.030 . 2 . . . . 63 GLY HA3 . 11314 1 615 . 1 1 63 63 GLY C C 13 175.147 0.300 . 1 . . . . 63 GLY C . 11314 1 616 . 1 1 63 63 GLY CA C 13 46.012 0.300 . 1 . . . . 63 GLY CA . 11314 1 617 . 1 1 63 63 GLY N N 15 106.633 0.300 . 1 . . . . 63 GLY N . 11314 1 618 . 1 1 64 64 THR H H 1 7.543 0.030 . 1 . . . . 64 THR H . 11314 1 619 . 1 1 64 64 THR HA H 1 4.651 0.030 . 1 . . . . 64 THR HA . 11314 1 620 . 1 1 64 64 THR HB H 1 4.236 0.030 . 1 . . . . 64 THR HB . 11314 1 621 . 1 1 64 64 THR HG21 H 1 1.124 0.030 . 1 . . . . 64 THR HG2 . 11314 1 622 . 1 1 64 64 THR HG22 H 1 1.124 0.030 . 1 . . . . 64 THR HG2 . 11314 1 623 . 1 1 64 64 THR HG23 H 1 1.124 0.030 . 1 . . . . 64 THR HG2 . 11314 1 624 . 1 1 64 64 THR C C 13 172.236 0.300 . 1 . . . . 64 THR C . 11314 1 625 . 1 1 64 64 THR CA C 13 61.237 0.300 . 1 . . . . 64 THR CA . 11314 1 626 . 1 1 64 64 THR CB C 13 71.017 0.300 . 1 . . . . 64 THR CB . 11314 1 627 . 1 1 64 64 THR CG2 C 13 21.323 0.300 . 1 . . . . 64 THR CG2 . 11314 1 628 . 1 1 64 64 THR N N 15 112.240 0.300 . 1 . . . . 64 THR N . 11314 1 629 . 1 1 65 65 TRP H H 1 8.082 0.030 . 1 . . . . 65 TRP H . 11314 1 630 . 1 1 65 65 TRP HA H 1 5.416 0.030 . 1 . . . . 65 TRP HA . 11314 1 631 . 1 1 65 65 TRP HB2 H 1 3.224 0.030 . 2 . . . . 65 TRP HB2 . 11314 1 632 . 1 1 65 65 TRP HB3 H 1 3.080 0.030 . 2 . . . . 65 TRP HB3 . 11314 1 633 . 1 1 65 65 TRP HD1 H 1 7.326 0.030 . 1 . . . . 65 TRP HD1 . 11314 1 634 . 1 1 65 65 TRP HE1 H 1 10.418 0.030 . 1 . . . . 65 TRP HE1 . 11314 1 635 . 1 1 65 65 TRP HE3 H 1 6.988 0.030 . 1 . . . . 65 TRP HE3 . 11314 1 636 . 1 1 65 65 TRP HH2 H 1 6.750 0.030 . 1 . . . . 65 TRP HH2 . 11314 1 637 . 1 1 65 65 TRP HZ2 H 1 7.300 0.030 . 1 . . . . 65 TRP HZ2 . 11314 1 638 . 1 1 65 65 TRP HZ3 H 1 6.612 0.030 . 1 . . . . 65 TRP HZ3 . 11314 1 639 . 1 1 65 65 TRP C C 13 175.004 0.300 . 1 . . . . 65 TRP C . 11314 1 640 . 1 1 65 65 TRP CA C 13 55.458 0.300 . 1 . . . . 65 TRP CA . 11314 1 641 . 1 1 65 65 TRP CB C 13 32.508 0.300 . 1 . . . . 65 TRP CB . 11314 1 642 . 1 1 65 65 TRP CD1 C 13 128.997 0.300 . 1 . . . . 65 TRP CD1 . 11314 1 643 . 1 1 65 65 TRP CE3 C 13 119.881 0.300 . 1 . . . . 65 TRP CE3 . 11314 1 644 . 1 1 65 65 TRP CH2 C 13 123.086 0.300 . 1 . . . . 65 TRP CH2 . 11314 1 645 . 1 1 65 65 TRP CZ2 C 13 115.036 0.300 . 1 . . . . 65 TRP CZ2 . 11314 1 646 . 1 1 65 65 TRP CZ3 C 13 119.998 0.300 . 1 . . . . 65 TRP CZ3 . 11314 1 647 . 1 1 65 65 TRP N N 15 115.714 0.300 . 1 . . . . 65 TRP N . 11314 1 648 . 1 1 65 65 TRP NE1 N 15 131.098 0.300 . 1 . . . . 65 TRP NE1 . 11314 1 649 . 1 1 66 66 ARG H H 1 8.522 0.030 . 1 . . . . 66 ARG H . 11314 1 650 . 1 1 66 66 ARG HA H 1 4.897 0.030 . 1 . . . . 66 ARG HA . 11314 1 651 . 1 1 66 66 ARG HB2 H 1 1.772 0.030 . 2 . . . . 66 ARG HB2 . 11314 1 652 . 1 1 66 66 ARG HB3 H 1 1.858 0.030 . 2 . . . . 66 ARG HB3 . 11314 1 653 . 1 1 66 66 ARG HD2 H 1 2.822 0.030 . 2 . . . . 66 ARG HD2 . 11314 1 654 . 1 1 66 66 ARG HD3 H 1 3.146 0.030 . 2 . . . . 66 ARG HD3 . 11314 1 655 . 1 1 66 66 ARG HG2 H 1 1.605 0.030 . 2 . . . . 66 ARG HG2 . 11314 1 656 . 1 1 66 66 ARG HG3 H 1 1.714 0.030 . 2 . . . . 66 ARG HG3 . 11314 1 657 . 1 1 66 66 ARG C C 13 175.539 0.300 . 1 . . . . 66 ARG C . 11314 1 658 . 1 1 66 66 ARG CA C 13 54.968 0.300 . 1 . . . . 66 ARG CA . 11314 1 659 . 1 1 66 66 ARG CB C 13 36.516 0.300 . 1 . . . . 66 ARG CB . 11314 1 660 . 1 1 66 66 ARG CD C 13 43.902 0.300 . 1 . . . . 66 ARG CD . 11314 1 661 . 1 1 66 66 ARG CG C 13 28.235 0.300 . 1 . . . . 66 ARG CG . 11314 1 662 . 1 1 66 66 ARG N N 15 117.953 0.300 . 1 . . . . 66 ARG N . 11314 1 663 . 1 1 67 67 CYS H H 1 10.385 0.030 . 1 . . . . 67 CYS H . 11314 1 664 . 1 1 67 67 CYS HA H 1 5.468 0.030 . 1 . . . . 67 CYS HA . 11314 1 665 . 1 1 67 67 CYS HB2 H 1 3.621 0.030 . 2 . . . . 67 CYS HB2 . 11314 1 666 . 1 1 67 67 CYS HB3 H 1 3.273 0.030 . 2 . . . . 67 CYS HB3 . 11314 1 667 . 1 1 67 67 CYS C C 13 175.544 0.300 . 1 . . . . 67 CYS C . 11314 1 668 . 1 1 67 67 CYS CA C 13 58.536 0.300 . 1 . . . . 67 CYS CA . 11314 1 669 . 1 1 67 67 CYS CB C 13 32.797 0.300 . 1 . . . . 67 CYS CB . 11314 1 670 . 1 1 67 67 CYS N N 15 123.285 0.300 . 1 . . . . 67 CYS N . 11314 1 671 . 1 1 68 68 LYS H H 1 8.175 0.030 . 1 . . . . 68 LYS H . 11314 1 672 . 1 1 68 68 LYS HA H 1 4.003 0.030 . 1 . . . . 68 LYS HA . 11314 1 673 . 1 1 68 68 LYS HB2 H 1 1.808 0.030 . 2 . . . . 68 LYS HB2 . 11314 1 674 . 1 1 68 68 LYS HB3 H 1 1.868 0.030 . 2 . . . . 68 LYS HB3 . 11314 1 675 . 1 1 68 68 LYS HD2 H 1 1.661 0.030 . 2 . . . . 68 LYS HD2 . 11314 1 676 . 1 1 68 68 LYS HD3 H 1 1.718 0.030 . 2 . . . . 68 LYS HD3 . 11314 1 677 . 1 1 68 68 LYS HE2 H 1 2.981 0.030 . 1 . . . . 68 LYS HE2 . 11314 1 678 . 1 1 68 68 LYS HE3 H 1 2.981 0.030 . 1 . . . . 68 LYS HE3 . 11314 1 679 . 1 1 68 68 LYS HG2 H 1 1.363 0.030 . 2 . . . . 68 LYS HG2 . 11314 1 680 . 1 1 68 68 LYS HG3 H 1 1.282 0.030 . 2 . . . . 68 LYS HG3 . 11314 1 681 . 1 1 68 68 LYS C C 13 177.612 0.300 . 1 . . . . 68 LYS C . 11314 1 682 . 1 1 68 68 LYS CA C 13 59.305 0.300 . 1 . . . . 68 LYS CA . 11314 1 683 . 1 1 68 68 LYS CB C 13 32.890 0.300 . 1 . . . . 68 LYS CB . 11314 1 684 . 1 1 68 68 LYS CD C 13 30.209 0.300 . 1 . . . . 68 LYS CD . 11314 1 685 . 1 1 68 68 LYS CE C 13 42.133 0.300 . 1 . . . . 68 LYS CE . 11314 1 686 . 1 1 68 68 LYS CG C 13 25.966 0.300 . 1 . . . . 68 LYS CG . 11314 1 687 . 1 1 68 68 LYS N N 15 115.837 0.300 . 1 . . . . 68 LYS N . 11314 1 688 . 1 1 69 69 VAL H H 1 7.930 0.030 . 1 . . . . 69 VAL H . 11314 1 689 . 1 1 69 69 VAL HA H 1 3.877 0.030 . 1 . . . . 69 VAL HA . 11314 1 690 . 1 1 69 69 VAL HB H 1 2.140 0.030 . 1 . . . . 69 VAL HB . 11314 1 691 . 1 1 69 69 VAL HG11 H 1 0.912 0.030 . 1 . . . . 69 VAL HG1 . 11314 1 692 . 1 1 69 69 VAL HG12 H 1 0.912 0.030 . 1 . . . . 69 VAL HG1 . 11314 1 693 . 1 1 69 69 VAL HG13 H 1 0.912 0.030 . 1 . . . . 69 VAL HG1 . 11314 1 694 . 1 1 69 69 VAL HG21 H 1 1.003 0.030 . 1 . . . . 69 VAL HG2 . 11314 1 695 . 1 1 69 69 VAL HG22 H 1 1.003 0.030 . 1 . . . . 69 VAL HG2 . 11314 1 696 . 1 1 69 69 VAL HG23 H 1 1.003 0.030 . 1 . . . . 69 VAL HG2 . 11314 1 697 . 1 1 69 69 VAL C C 13 178.078 0.300 . 1 . . . . 69 VAL C . 11314 1 698 . 1 1 69 69 VAL CA C 13 65.755 0.300 . 1 . . . . 69 VAL CA . 11314 1 699 . 1 1 69 69 VAL CB C 13 32.718 0.300 . 1 . . . . 69 VAL CB . 11314 1 700 . 1 1 69 69 VAL CG1 C 13 21.081 0.300 . 2 . . . . 69 VAL CG1 . 11314 1 701 . 1 1 69 69 VAL CG2 C 13 23.223 0.300 . 2 . . . . 69 VAL CG2 . 11314 1 702 . 1 1 69 69 VAL N N 15 121.426 0.300 . 1 . . . . 69 VAL N . 11314 1 703 . 1 1 70 70 CYS H H 1 8.335 0.030 . 1 . . . . 70 CYS H . 11314 1 704 . 1 1 70 70 CYS HA H 1 3.894 0.030 . 1 . . . . 70 CYS HA . 11314 1 705 . 1 1 70 70 CYS HB2 H 1 2.952 0.030 . 1 . . . . 70 CYS HB2 . 11314 1 706 . 1 1 70 70 CYS HB3 H 1 2.952 0.030 . 1 . . . . 70 CYS HB3 . 11314 1 707 . 1 1 70 70 CYS C C 13 176.632 0.300 . 1 . . . . 70 CYS C . 11314 1 708 . 1 1 70 70 CYS CA C 13 64.163 0.300 . 1 . . . . 70 CYS CA . 11314 1 709 . 1 1 70 70 CYS CB C 13 29.742 0.300 . 1 . . . . 70 CYS CB . 11314 1 710 . 1 1 70 70 CYS N N 15 124.293 0.300 . 1 . . . . 70 CYS N . 11314 1 711 . 1 1 71 71 SER H H 1 8.002 0.030 . 1 . . . . 71 SER H . 11314 1 712 . 1 1 71 71 SER HA H 1 4.214 0.030 . 1 . . . . 71 SER HA . 11314 1 713 . 1 1 71 71 SER HB2 H 1 3.764 0.030 . 1 . . . . 71 SER HB2 . 11314 1 714 . 1 1 71 71 SER HB3 H 1 3.764 0.030 . 1 . . . . 71 SER HB3 . 11314 1 715 . 1 1 71 71 SER C C 13 174.618 0.300 . 1 . . . . 71 SER C . 11314 1 716 . 1 1 71 71 SER CA C 13 59.323 0.300 . 1 . . . . 71 SER CA . 11314 1 717 . 1 1 71 71 SER CB C 13 63.947 0.300 . 1 . . . . 71 SER CB . 11314 1 718 . 1 1 71 71 SER N N 15 112.117 0.300 . 1 . . . . 71 SER N . 11314 1 719 . 1 1 72 72 GLY H H 1 7.550 0.030 . 1 . . . . 72 GLY H . 11314 1 720 . 1 1 72 72 GLY HA2 H 1 4.147 0.030 . 2 . . . . 72 GLY HA2 . 11314 1 721 . 1 1 72 72 GLY HA3 H 1 4.079 0.030 . 2 . . . . 72 GLY HA3 . 11314 1 722 . 1 1 72 72 GLY C C 13 171.753 0.300 . 1 . . . . 72 GLY C . 11314 1 723 . 1 1 72 72 GLY CA C 13 44.957 0.300 . 1 . . . . 72 GLY CA . 11314 1 724 . 1 1 72 72 GLY N N 15 108.889 0.300 . 1 . . . . 72 GLY N . 11314 1 725 . 1 1 73 73 PRO HA H 1 4.483 0.030 . 1 . . . . 73 PRO HA . 11314 1 726 . 1 1 73 73 PRO HB2 H 1 2.281 0.030 . 2 . . . . 73 PRO HB2 . 11314 1 727 . 1 1 73 73 PRO HB3 H 1 1.970 0.030 . 2 . . . . 73 PRO HB3 . 11314 1 728 . 1 1 73 73 PRO HD2 H 1 3.629 0.030 . 1 . . . . 73 PRO HD2 . 11314 1 729 . 1 1 73 73 PRO HD3 H 1 3.629 0.030 . 1 . . . . 73 PRO HD3 . 11314 1 730 . 1 1 73 73 PRO HG2 H 1 2.013 0.030 . 1 . . . . 73 PRO HG2 . 11314 1 731 . 1 1 73 73 PRO HG3 H 1 2.013 0.030 . 1 . . . . 73 PRO HG3 . 11314 1 732 . 1 1 73 73 PRO C C 13 177.534 0.300 . 1 . . . . 73 PRO C . 11314 1 733 . 1 1 73 73 PRO CA C 13 63.314 0.300 . 1 . . . . 73 PRO CA . 11314 1 734 . 1 1 73 73 PRO CB C 13 32.083 0.300 . 1 . . . . 73 PRO CB . 11314 1 735 . 1 1 73 73 PRO CD C 13 49.781 0.300 . 1 . . . . 73 PRO CD . 11314 1 736 . 1 1 73 73 PRO CG C 13 27.166 0.300 . 1 . . . . 73 PRO CG . 11314 1 737 . 1 1 74 74 SER H H 1 8.527 0.030 . 1 . . . . 74 SER H . 11314 1 738 . 1 1 74 74 SER C C 13 174.755 0.300 . 1 . . . . 74 SER C . 11314 1 739 . 1 1 74 74 SER CA C 13 58.312 0.300 . 1 . . . . 74 SER CA . 11314 1 740 . 1 1 74 74 SER CB C 13 63.880 0.300 . 1 . . . . 74 SER CB . 11314 1 741 . 1 1 74 74 SER N N 15 116.545 0.300 . 1 . . . . 74 SER N . 11314 1 stop_ save_