data_25208 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25208 _Entry.Title ; Backbone and Side Chain Chemical Shift Assignments for S100A4dC in complex with MPT ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-09-09 _Entry.Accession_date 2014-09-09 _Entry.Last_release_date 2016-08-19 _Entry.Original_release_date 2016-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Andrea Bodor . . . . 25208 2 Gyula Palfy . . . . 25208 3 Bence Kiss . . . . 25208 4 Laszlo Nyitray . . . . 25208 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 25208 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 526 25208 '15N chemical shifts' 178 25208 '1H chemical shifts' 174 25208 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 3 . . 2016-11-29 2014-08-08 update author 'update entry citation, etc.' 25208 2 . . 2016-09-02 2014-09-09 update BMRB 'update entry citation, etc.' 25208 1 . . 2016-08-19 2014-09-09 original author 'original release' 25208 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25208 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27418229 _Citation.Full_citation . _Citation.Title ; Multilevel Changes in Protein Dynamics upon Complex Formation of the Calcium-Loaded S100A4 with a Nonmuscle Myosin IIA Tail Fragment ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Chembiochem _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue 19 _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 1829 _Citation.Page_last 1838 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Gyula Palfy . . . . 25208 1 2 Bence Kiss . . . . 25208 1 3 Laszlo Nyitray . . . . 25208 1 4 Andrea Bodor . . . . 25208 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25208 _Assembly.ID 1 _Assembly.Name 'S100A4dC-MPT complex' _Assembly.BMRB_code . _Assembly.Number_of_components 7 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 26314.21 _Assembly.Enzyme_commission_number . _Assembly.Details '2 monomers (chain A and chain B) of S100A4dC + MPT peptide + 4 Ca ions' _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 'S100A4dC, 1' 1 $S100A4dC A . yes native no no . . . 25208 1 2 'S100A4dC, 2' 1 $S100A4dC B . yes native no no . . . 25208 1 3 MPT 2 $MPT C . no 'partially disordered' no no . . . 25208 1 4 'Ca, 1' 3 $entity_CA D . no na no no . . . 25208 1 5 'Ca, 2' 3 $entity_CA E . no na no no . . . 25208 1 6 'Ca, 3' 3 $entity_CA F . no na no no . . . 25208 1 7 'Ca, 4' 3 $entity_CA G . no na no no . . . 25208 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_S100A4dC _Entity.Sf_category entity _Entity.Sf_framecode S100A4dC _Entity.Entry_ID 25208 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name S100A4dC _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMACPLEKALDVMVSTFH KYSGKEGDKFKLNKSELKEL LTRELPSFLGKRTDEAAFQK LMSNLDSNRDNEVDFQEYCV FLSCIAMMCNE ; _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 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10403.9 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'S100A4dC is a homodimer, the given formula mass refers to one monomer.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P26447 . S100A4 . . . . . . . . . . . . . . 25208 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 -2 GLY . 25208 1 2 -1 SER . 25208 1 3 0 HIS . 25208 1 4 1 MET . 25208 1 5 2 ALA . 25208 1 6 3 CYS . 25208 1 7 4 PRO . 25208 1 8 5 LEU . 25208 1 9 6 GLU . 25208 1 10 7 LYS . 25208 1 11 8 ALA . 25208 1 12 9 LEU . 25208 1 13 10 ASP . 25208 1 14 11 VAL . 25208 1 15 12 MET . 25208 1 16 13 VAL . 25208 1 17 14 SER . 25208 1 18 15 THR . 25208 1 19 16 PHE . 25208 1 20 17 HIS . 25208 1 21 18 LYS . 25208 1 22 19 TYR . 25208 1 23 20 SER . 25208 1 24 21 GLY . 25208 1 25 22 LYS . 25208 1 26 23 GLU . 25208 1 27 24 GLY . 25208 1 28 25 ASP . 25208 1 29 26 LYS . 25208 1 30 27 PHE . 25208 1 31 28 LYS . 25208 1 32 29 LEU . 25208 1 33 30 ASN . 25208 1 34 31 LYS . 25208 1 35 32 SER . 25208 1 36 33 GLU . 25208 1 37 34 LEU . 25208 1 38 35 LYS . 25208 1 39 36 GLU . 25208 1 40 37 LEU . 25208 1 41 38 LEU . 25208 1 42 39 THR . 25208 1 43 40 ARG . 25208 1 44 41 GLU . 25208 1 45 42 LEU . 25208 1 46 43 PRO . 25208 1 47 44 SER . 25208 1 48 45 PHE . 25208 1 49 46 LEU . 25208 1 50 47 GLY . 25208 1 51 48 LYS . 25208 1 52 49 ARG . 25208 1 53 50 THR . 25208 1 54 51 ASP . 25208 1 55 52 GLU . 25208 1 56 53 ALA . 25208 1 57 54 ALA . 25208 1 58 55 PHE . 25208 1 59 56 GLN . 25208 1 60 57 LYS . 25208 1 61 58 LEU . 25208 1 62 59 MET . 25208 1 63 60 SER . 25208 1 64 61 ASN . 25208 1 65 62 LEU . 25208 1 66 63 ASP . 25208 1 67 64 SER . 25208 1 68 65 ASN . 25208 1 69 66 ARG . 25208 1 70 67 ASP . 25208 1 71 68 ASN . 25208 1 72 69 GLU . 25208 1 73 70 VAL . 25208 1 74 71 ASP . 25208 1 75 72 PHE . 25208 1 76 73 GLN . 25208 1 77 74 GLU . 25208 1 78 75 TYR . 25208 1 79 76 CYS . 25208 1 80 77 VAL . 25208 1 81 78 PHE . 25208 1 82 79 LEU . 25208 1 83 80 SER . 25208 1 84 81 CYS . 25208 1 85 82 ILE . 25208 1 86 83 ALA . 25208 1 87 84 MET . 25208 1 88 85 MET . 25208 1 89 86 CYS . 25208 1 90 87 ASN . 25208 1 91 88 GLU . 25208 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 25208 1 . SER 2 2 25208 1 . HIS 3 3 25208 1 . MET 4 4 25208 1 . ALA 5 5 25208 1 . CYS 6 6 25208 1 . PRO 7 7 25208 1 . LEU 8 8 25208 1 . GLU 9 9 25208 1 . LYS 10 10 25208 1 . ALA 11 11 25208 1 . LEU 12 12 25208 1 . ASP 13 13 25208 1 . VAL 14 14 25208 1 . MET 15 15 25208 1 . VAL 16 16 25208 1 . SER 17 17 25208 1 . THR 18 18 25208 1 . PHE 19 19 25208 1 . HIS 20 20 25208 1 . LYS 21 21 25208 1 . TYR 22 22 25208 1 . SER 23 23 25208 1 . GLY 24 24 25208 1 . LYS 25 25 25208 1 . GLU 26 26 25208 1 . GLY 27 27 25208 1 . ASP 28 28 25208 1 . LYS 29 29 25208 1 . PHE 30 30 25208 1 . LYS 31 31 25208 1 . LEU 32 32 25208 1 . ASN 33 33 25208 1 . LYS 34 34 25208 1 . SER 35 35 25208 1 . GLU 36 36 25208 1 . LEU 37 37 25208 1 . LYS 38 38 25208 1 . GLU 39 39 25208 1 . LEU 40 40 25208 1 . LEU 41 41 25208 1 . THR 42 42 25208 1 . ARG 43 43 25208 1 . GLU 44 44 25208 1 . LEU 45 45 25208 1 . PRO 46 46 25208 1 . SER 47 47 25208 1 . PHE 48 48 25208 1 . LEU 49 49 25208 1 . GLY 50 50 25208 1 . LYS 51 51 25208 1 . ARG 52 52 25208 1 . THR 53 53 25208 1 . ASP 54 54 25208 1 . GLU 55 55 25208 1 . ALA 56 56 25208 1 . ALA 57 57 25208 1 . PHE 58 58 25208 1 . GLN 59 59 25208 1 . LYS 60 60 25208 1 . LEU 61 61 25208 1 . MET 62 62 25208 1 . SER 63 63 25208 1 . ASN 64 64 25208 1 . LEU 65 65 25208 1 . ASP 66 66 25208 1 . SER 67 67 25208 1 . ASN 68 68 25208 1 . ARG 69 69 25208 1 . ASP 70 70 25208 1 . ASN 71 71 25208 1 . GLU 72 72 25208 1 . VAL 73 73 25208 1 . ASP 74 74 25208 1 . PHE 75 75 25208 1 . GLN 76 76 25208 1 . GLU 77 77 25208 1 . TYR 78 78 25208 1 . CYS 79 79 25208 1 . VAL 80 80 25208 1 . PHE 81 81 25208 1 . LEU 82 82 25208 1 . SER 83 83 25208 1 . CYS 84 84 25208 1 . ILE 85 85 25208 1 . ALA 86 86 25208 1 . MET 87 87 25208 1 . MET 88 88 25208 1 . CYS 89 89 25208 1 . ASN 90 90 25208 1 . GLU 91 91 25208 1 stop_ save_ save_MPT _Entity.Sf_category entity _Entity.Sf_framecode MPT _Entity.Entry_ID 25208 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name MPT _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; YRKLQRELEDATETADAMNR EVSSLKNKLRRGDLPFVVPR RMARK ; _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 45 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation R1893Y _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5346.1 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'This fragment is the region 1893-1937 of protein Myosin IIA heavy chain.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P35579 . Myosin-9 . . . . . . . . . . . . . . 25208 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . TYR . 25208 2 2 . ARG . 25208 2 3 . LYS . 25208 2 4 . LEU . 25208 2 5 . GLN . 25208 2 6 . ARG . 25208 2 7 . GLU . 25208 2 8 . LEU . 25208 2 9 . GLU . 25208 2 10 . ASP . 25208 2 11 . ALA . 25208 2 12 . THR . 25208 2 13 . GLU . 25208 2 14 . THR . 25208 2 15 . ALA . 25208 2 16 . ASP . 25208 2 17 . ALA . 25208 2 18 . MET . 25208 2 19 . ASN . 25208 2 20 . ARG . 25208 2 21 . GLU . 25208 2 22 . VAL . 25208 2 23 . SER . 25208 2 24 . SER . 25208 2 25 . LEU . 25208 2 26 . LYS . 25208 2 27 . ASN . 25208 2 28 . LYS . 25208 2 29 . LEU . 25208 2 30 . ARG . 25208 2 31 . ARG . 25208 2 32 . GLY . 25208 2 33 . ASP . 25208 2 34 . LEU . 25208 2 35 . PRO . 25208 2 36 . PHE . 25208 2 37 . VAL . 25208 2 38 . VAL . 25208 2 39 . PRO . 25208 2 40 . ARG . 25208 2 41 . ARG . 25208 2 42 . MET . 25208 2 43 . ALA . 25208 2 44 . ARG . 25208 2 45 . LYS . 25208 2 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 . TYR 1 1 25208 2 . ARG 2 2 25208 2 . LYS 3 3 25208 2 . LEU 4 4 25208 2 . GLN 5 5 25208 2 . ARG 6 6 25208 2 . GLU 7 7 25208 2 . LEU 8 8 25208 2 . GLU 9 9 25208 2 . ASP 10 10 25208 2 . ALA 11 11 25208 2 . THR 12 12 25208 2 . GLU 13 13 25208 2 . THR 14 14 25208 2 . ALA 15 15 25208 2 . ASP 16 16 25208 2 . ALA 17 17 25208 2 . MET 18 18 25208 2 . ASN 19 19 25208 2 . ARG 20 20 25208 2 . GLU 21 21 25208 2 . VAL 22 22 25208 2 . SER 23 23 25208 2 . SER 24 24 25208 2 . LEU 25 25 25208 2 . LYS 26 26 25208 2 . ASN 27 27 25208 2 . LYS 28 28 25208 2 . LEU 29 29 25208 2 . ARG 30 30 25208 2 . ARG 31 31 25208 2 . GLY 32 32 25208 2 . ASP 33 33 25208 2 . LEU 34 34 25208 2 . PRO 35 35 25208 2 . PHE 36 36 25208 2 . VAL 37 37 25208 2 . VAL 38 38 25208 2 . PRO 39 39 25208 2 . ARG 40 40 25208 2 . ARG 41 41 25208 2 . MET 42 42 25208 2 . ALA 43 43 25208 2 . ARG 44 44 25208 2 . LYS 45 45 25208 2 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 25208 _Entity.ID 3 _Entity.BMRB_code CA _Entity.Name entity_CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 25208 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 25208 3 CA 'Three letter code' 25208 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 25208 3 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 25208 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $S100A4dC . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25208 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 25208 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $S100A4dC . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pEV . . . 25208 1 2 2 $MPT . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pUBK . . . 25208 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 25208 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 25208 CA InChI=1S/Ca/q+2 InChI InChI 1.03 25208 CA [Ca++] SMILES CACTVS 3.341 25208 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 25208 CA [Ca+2] SMILES ACDLabs 10.04 25208 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 25208 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25208 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 25208 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25208 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 25208 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25208 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 S100A4dC '[U-100% 13C; U-100% 15N]' . . 1 $S100A4dC . . 1.37 . . mM . . . . 25208 1 2 MPT 'natural abundance' . . 2 $MPT . . 6.44 . . mM . . . . 25208 1 3 CaCl2 'natural abundance' . . 3 $entity_CA . . 3.2 . . mM . . . . 25208 1 4 MES 'natural abundance' . . . . . . 16 . . mM . . . . 25208 1 5 NaCl 'natural abundance' . . . . . . 16 . . mM . . . . 25208 1 6 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 25208 1 7 DSS 'natural abundance' . . . . . . 3 . . uL . . . . 25208 1 8 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 25208 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25208 _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' 0.080 . M 25208 1 pH 6 . pH 25208 1 pressure 1 . atm 25208 1 temperature 300 . K 25208 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25208 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.0.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25208 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25208 1 processing 25208 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25208 _Software.ID 2 _Software.Name CARA _Software.Version 1.8.4.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25208 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25208 2 'peak picking' 25208 2 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 25208 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Ultra Stabilized 900 MHz / 54 mm AVANCE AV spectrometer equipped with a TCI cryoprobe (CP TCI 900S4 H-C/N-D-05 z-GRD)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25208 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'UltraShield 700 MHz / 54 mm AVANCE AV spectrometer equipped with a TXO cryoprobe (CP TXO 700S4 C/N-H-D-05 Z-GRD)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 25208 _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 . 900 'Ultra Stabilized 900 MHz / 54 mm AVANCE AV spectrometer equipped with a TCI cryoprobe (CP TCI 900S4 H-C/N-D-05 z-GRD)' . . 25208 1 2 spectrometer_2 Bruker Avance . 700 'UltraShield 700 MHz / 54 mm AVANCE AV spectrometer equipped with a TXO cryoprobe (CP TXO 700S4 C/N-H-D-05 Z-GRD)' . . 25208 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 25208 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25208 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25208 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25208 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25208 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25208 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25208 1 7 '3D BEST-HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25208 1 8 '2D CON' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25208 1 9 '2D CBCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25208 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25208 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25208 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25208 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25208 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_chain_A _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chain_A _Assigned_chem_shift_list.Entry_ID 25208 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25208 1 2 '3D HNCA' . . . 25208 1 3 '3D HN(CO)CA' . . . 25208 1 4 '3D HNCO' . . . 25208 1 5 '3D HN(CA)CO' . . . 25208 1 6 '3D CBCA(CO)NH' . . . 25208 1 7 '3D BEST-HNCACB' . . . 25208 1 8 '2D CON' . . . 25208 1 9 '2D CBCACO' . . . 25208 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 3 3 HIS H H 1 8.673 0.02 . 1 . . . . 0 HIS H . 25208 1 2 . 1 1 3 3 HIS C C 13 174.462 0.3 . 1 . . . . 0 HIS C . 25208 1 3 . 1 1 3 3 HIS CA C 13 55.733 0.3 . 1 . . . . 0 HIS CA . 25208 1 4 . 1 1 3 3 HIS CB C 13 29.314 0.3 . 1 . . . . 0 HIS CB . 25208 1 5 . 1 1 3 3 HIS N N 15 121.073 0.3 . 1 . . . . 0 HIS N . 25208 1 6 . 1 1 4 4 MET H H 1 8.404 0.02 . 1 . . . . 1 MET H . 25208 1 7 . 1 1 4 4 MET C C 13 175.356 0.3 . 1 . . . . 1 MET C . 25208 1 8 . 1 1 4 4 MET CA C 13 55.286 0.3 . 1 . . . . 1 MET CA . 25208 1 9 . 1 1 4 4 MET CB C 13 32.73 0.3 . 1 . . . . 1 MET CB . 25208 1 10 . 1 1 4 4 MET N N 15 122.343 0.3 . 1 . . . . 1 MET N . 25208 1 11 . 1 1 5 5 ALA H H 1 8.4 0.02 . 1 . . . . 2 ALA H . 25208 1 12 . 1 1 5 5 ALA C C 13 177.692 0.3 . 1 . . . . 2 ALA C . 25208 1 13 . 1 1 5 5 ALA CA C 13 52.528 0.3 . 1 . . . . 2 ALA CA . 25208 1 14 . 1 1 5 5 ALA CB C 13 19.707 0.3 . 1 . . . . 2 ALA CB . 25208 1 15 . 1 1 5 5 ALA N N 15 125.531 0.3 . 1 . . . . 2 ALA N . 25208 1 16 . 1 1 6 6 CYS H H 1 8.876 0.02 . 1 . . . . 3 CYS H . 25208 1 17 . 1 1 6 6 CYS C C 13 174.046 0.3 . 1 . . . . 3 CYS C . 25208 1 18 . 1 1 6 6 CYS CA C 13 58.248 0.3 . 1 . . . . 3 CYS CA . 25208 1 19 . 1 1 6 6 CYS CB C 13 27.176 0.3 . 1 . . . . 3 CYS CB . 25208 1 20 . 1 1 6 6 CYS N N 15 120.715 0.3 . 1 . . . . 3 CYS N . 25208 1 21 . 1 1 7 7 PRO C C 13 179.261 0.3 . 1 . . . . 4 PRO C . 25208 1 22 . 1 1 7 7 PRO CA C 13 66.387 0.3 . 1 . . . . 4 PRO CA . 25208 1 23 . 1 1 7 7 PRO CB C 13 32.634 0.3 . 1 . . . . 4 PRO CB . 25208 1 24 . 1 1 7 7 PRO N N 15 138.545 0.3 . 1 . . . . 4 PRO N . 25208 1 25 . 1 1 8 8 LEU H H 1 10.776 0.02 . 1 . . . . 5 LEU H . 25208 1 26 . 1 1 8 8 LEU C C 13 178.587 0.3 . 1 . . . . 5 LEU C . 25208 1 27 . 1 1 8 8 LEU CA C 13 57.186 0.3 . 1 . . . . 5 LEU CA . 25208 1 28 . 1 1 8 8 LEU CB C 13 42.474 0.3 . 1 . . . . 5 LEU CB . 25208 1 29 . 1 1 8 8 LEU N N 15 122.036 0.3 . 1 . . . . 5 LEU N . 25208 1 30 . 1 1 9 9 GLU H H 1 7.038 0.02 . 1 . . . . 6 GLU H . 25208 1 31 . 1 1 9 9 GLU C C 13 179.649 0.3 . 1 . . . . 6 GLU C . 25208 1 32 . 1 1 9 9 GLU CA C 13 60.158 0.3 . 1 . . . . 6 GLU CA . 25208 1 33 . 1 1 9 9 GLU CB C 13 29.067 0.3 . 1 . . . . 6 GLU CB . 25208 1 34 . 1 1 9 9 GLU N N 15 116.708 0.3 . 1 . . . . 6 GLU N . 25208 1 35 . 1 1 10 10 LYS H H 1 8.037 0.02 . 1 . . . . 7 LYS H . 25208 1 36 . 1 1 10 10 LYS C C 13 178.633 0.3 . 1 . . . . 7 LYS C . 25208 1 37 . 1 1 10 10 LYS CA C 13 58.755 0.3 . 1 . . . . 7 LYS CA . 25208 1 38 . 1 1 10 10 LYS CB C 13 31.464 0.3 . 1 . . . . 7 LYS CB . 25208 1 39 . 1 1 10 10 LYS N N 15 119.227 0.3 . 1 . . . . 7 LYS N . 25208 1 40 . 1 1 11 11 ALA H H 1 8.278 0.02 . 1 . . . . 8 ALA H . 25208 1 41 . 1 1 11 11 ALA C C 13 179.28 0.3 . 1 . . . . 8 ALA C . 25208 1 42 . 1 1 11 11 ALA CA C 13 55.373 0.3 . 1 . . . . 8 ALA CA . 25208 1 43 . 1 1 11 11 ALA CB C 13 17.693 0.3 . 1 . . . . 8 ALA CB . 25208 1 44 . 1 1 11 11 ALA N N 15 122.126 0.3 . 1 . . . . 8 ALA N . 25208 1 45 . 1 1 12 12 LEU H H 1 7.819 0.02 . 1 . . . . 9 LEU H . 25208 1 46 . 1 1 12 12 LEU C C 13 178.678 0.3 . 1 . . . . 9 LEU C . 25208 1 47 . 1 1 12 12 LEU CA C 13 58.293 0.3 . 1 . . . . 9 LEU CA . 25208 1 48 . 1 1 12 12 LEU CB C 13 42.001 0.3 . 1 . . . . 9 LEU CB . 25208 1 49 . 1 1 12 12 LEU N N 15 118.347 0.3 . 1 . . . . 9 LEU N . 25208 1 50 . 1 1 13 13 ASP H H 1 7.697 0.02 . 1 . . . . 10 ASP H . 25208 1 51 . 1 1 13 13 ASP C C 13 179.659 0.3 . 1 . . . . 10 ASP C . 25208 1 52 . 1 1 13 13 ASP CA C 13 57.844 0.3 . 1 . . . . 10 ASP CA . 25208 1 53 . 1 1 13 13 ASP CB C 13 41.291 0.3 . 1 . . . . 10 ASP CB . 25208 1 54 . 1 1 13 13 ASP N N 15 118.859 0.3 . 1 . . . . 10 ASP N . 25208 1 55 . 1 1 14 14 VAL H H 1 8.391 0.02 . 1 . . . . 11 VAL H . 25208 1 56 . 1 1 14 14 VAL C C 13 180.273 0.3 . 1 . . . . 11 VAL C . 25208 1 57 . 1 1 14 14 VAL CA C 13 66.229 0.3 . 1 . . . . 11 VAL CA . 25208 1 58 . 1 1 14 14 VAL CB C 13 31.699 0.3 . 1 . . . . 11 VAL CB . 25208 1 59 . 1 1 14 14 VAL N N 15 121.255 0.3 . 1 . . . . 11 VAL N . 25208 1 60 . 1 1 15 15 MET H H 1 8.63 0.02 . 1 . . . . 12 MET H . 25208 1 61 . 1 1 15 15 MET C C 13 179.038 0.3 . 1 . . . . 12 MET C . 25208 1 62 . 1 1 15 15 MET CA C 13 60.916 0.3 . 1 . . . . 12 MET CA . 25208 1 63 . 1 1 15 15 MET CB C 13 33.179 0.3 . 1 . . . . 12 MET CB . 25208 1 64 . 1 1 15 15 MET N N 15 124.834 0.3 . 1 . . . . 12 MET N . 25208 1 65 . 1 1 16 16 VAL H H 1 8.32 0.02 . 1 . . . . 13 VAL H . 25208 1 66 . 1 1 16 16 VAL C C 13 178.163 0.3 . 1 . . . . 13 VAL C . 25208 1 67 . 1 1 16 16 VAL CA C 13 66.881 0.3 . 1 . . . . 13 VAL CA . 25208 1 68 . 1 1 16 16 VAL CB C 13 32.682 0.3 . 1 . . . . 13 VAL CB . 25208 1 69 . 1 1 16 16 VAL N N 15 119.492 0.3 . 1 . . . . 13 VAL N . 25208 1 70 . 1 1 17 17 SER H H 1 9.041 0.02 . 1 . . . . 14 SER H . 25208 1 71 . 1 1 17 17 SER C C 13 178.859 0.3 . 1 . . . . 14 SER C . 25208 1 72 . 1 1 17 17 SER CA C 13 61.91 0.3 . 1 . . . . 14 SER CA . 25208 1 73 . 1 1 17 17 SER CB C 13 62.693 0.3 . 1 . . . . 14 SER CB . 25208 1 74 . 1 1 17 17 SER N N 15 115 0.3 . 1 . . . . 14 SER N . 25208 1 75 . 1 1 18 18 THR H H 1 8.714 0.02 . 1 . . . . 15 THR H . 25208 1 76 . 1 1 18 18 THR C C 13 174.828 0.3 . 1 . . . . 15 THR C . 25208 1 77 . 1 1 18 18 THR CA C 13 68.027 0.3 . 1 . . . . 15 THR CA . 25208 1 78 . 1 1 18 18 THR N N 15 118.868 0.3 . 1 . . . . 15 THR N . 25208 1 79 . 1 1 19 19 PHE H H 1 6.984 0.02 . 1 . . . . 16 PHE H . 25208 1 80 . 1 1 19 19 PHE C C 13 176.967 0.3 . 1 . . . . 16 PHE C . 25208 1 81 . 1 1 19 19 PHE CA C 13 62.636 0.3 . 1 . . . . 16 PHE CA . 25208 1 82 . 1 1 19 19 PHE CB C 13 39.495 0.3 . 1 . . . . 16 PHE CB . 25208 1 83 . 1 1 19 19 PHE N N 15 119.287 0.3 . 1 . . . . 16 PHE N . 25208 1 84 . 1 1 20 20 HIS H H 1 7.175 0.02 . 1 . . . . 17 HIS H . 25208 1 85 . 1 1 20 20 HIS C C 13 176.349 0.3 . 1 . . . . 17 HIS C . 25208 1 86 . 1 1 20 20 HIS CA C 13 57.401 0.3 . 1 . . . . 17 HIS CA . 25208 1 87 . 1 1 20 20 HIS CB C 13 29.234 0.3 . 1 . . . . 17 HIS CB . 25208 1 88 . 1 1 20 20 HIS N N 15 114.821 0.3 . 1 . . . . 17 HIS N . 25208 1 89 . 1 1 21 21 LYS H H 1 7.895 0.02 . 1 . . . . 18 LYS H . 25208 1 90 . 1 1 21 21 LYS C C 13 176.688 0.3 . 1 . . . . 18 LYS C . 25208 1 91 . 1 1 21 21 LYS CA C 13 58.794 0.3 . 1 . . . . 18 LYS CA . 25208 1 92 . 1 1 21 21 LYS CB C 13 32.39 0.3 . 1 . . . . 18 LYS CB . 25208 1 93 . 1 1 21 21 LYS N N 15 121.328 0.3 . 1 . . . . 18 LYS N . 25208 1 94 . 1 1 22 22 TYR H H 1 6.866 0.02 . 1 . . . . 19 TYR H . 25208 1 95 . 1 1 22 22 TYR C C 13 176.005 0.3 . 1 . . . . 19 TYR C . 25208 1 96 . 1 1 22 22 TYR CA C 13 59.654 0.3 . 1 . . . . 19 TYR CA . 25208 1 97 . 1 1 22 22 TYR CB C 13 41.041 0.3 . 1 . . . . 19 TYR CB . 25208 1 98 . 1 1 22 22 TYR N N 15 113.249 0.3 . 1 . . . . 19 TYR N . 25208 1 99 . 1 1 23 23 SER H H 1 8.314 0.02 . 1 . . . . 20 SER H . 25208 1 100 . 1 1 23 23 SER C C 13 176.544 0.3 . 1 . . . . 20 SER C . 25208 1 101 . 1 1 23 23 SER CA C 13 61.823 0.3 . 1 . . . . 20 SER CA . 25208 1 102 . 1 1 23 23 SER CB C 13 61.2 0.3 . 1 . . . . 20 SER CB . 25208 1 103 . 1 1 23 23 SER N N 15 113.426 0.3 . 1 . . . . 20 SER N . 25208 1 104 . 1 1 24 24 GLY H H 1 7.703 0.02 . 1 . . . . 21 GLY H . 25208 1 105 . 1 1 24 24 GLY C C 13 173.662 0.3 . 1 . . . . 21 GLY C . 25208 1 106 . 1 1 24 24 GLY CA C 13 45.295 0.3 . 1 . . . . 21 GLY CA . 25208 1 107 . 1 1 24 24 GLY N N 15 110.546 0.3 . 1 . . . . 21 GLY N . 25208 1 108 . 1 1 25 25 LYS H H 1 7.155 0.02 . 1 . . . . 22 LYS H . 25208 1 109 . 1 1 25 25 LYS C C 13 177.477 0.3 . 1 . . . . 22 LYS C . 25208 1 110 . 1 1 25 25 LYS CA C 13 60.097 0.3 . 1 . . . . 22 LYS CA . 25208 1 111 . 1 1 25 25 LYS CB C 13 32.722 0.3 . 1 . . . . 22 LYS CB . 25208 1 112 . 1 1 25 25 LYS N N 15 122.161 0.3 . 1 . . . . 22 LYS N . 25208 1 113 . 1 1 26 26 GLU H H 1 9.599 0.02 . 1 . . . . 23 GLU H . 25208 1 114 . 1 1 26 26 GLU C C 13 176.855 0.3 . 1 . . . . 23 GLU C . 25208 1 115 . 1 1 26 26 GLU CA C 13 54.403 0.3 . 1 . . . . 23 GLU CA . 25208 1 116 . 1 1 26 26 GLU CB C 13 34.02 0.3 . 1 . . . . 23 GLU CB . 25208 1 117 . 1 1 26 26 GLU N N 15 116.419 0.3 . 1 . . . . 23 GLU N . 25208 1 118 . 1 1 27 27 GLY H H 1 8.98 0.02 . 1 . . . . 24 GLY H . 25208 1 119 . 1 1 27 27 GLY C C 13 173.623 0.3 . 1 . . . . 24 GLY C . 25208 1 120 . 1 1 27 27 GLY CA C 13 46.272 0.3 . 1 . . . . 24 GLY CA . 25208 1 121 . 1 1 27 27 GLY N N 15 113.324 0.3 . 1 . . . . 24 GLY N . 25208 1 122 . 1 1 28 28 ASP H H 1 8.6 0.02 . 1 . . . . 25 ASP H . 25208 1 123 . 1 1 28 28 ASP C C 13 179.272 0.3 . 1 . . . . 25 ASP C . 25208 1 124 . 1 1 28 28 ASP CA C 13 55.069 0.3 . 1 . . . . 25 ASP CA . 25208 1 125 . 1 1 28 28 ASP CB C 13 41.598 0.3 . 1 . . . . 25 ASP CB . 25208 1 126 . 1 1 28 28 ASP N N 15 126.211 0.3 . 1 . . . . 25 ASP N . 25208 1 127 . 1 1 29 29 LYS H H 1 9.398 0.02 . 1 . . . . 26 LYS H . 25208 1 128 . 1 1 29 29 LYS C C 13 176.709 0.3 . 1 . . . . 26 LYS C . 25208 1 129 . 1 1 29 29 LYS CA C 13 57.905 0.3 . 1 . . . . 26 LYS CA . 25208 1 130 . 1 1 29 29 LYS CB C 13 31.134 0.3 . 1 . . . . 26 LYS CB . 25208 1 131 . 1 1 29 29 LYS N N 15 131.976 0.3 . 1 . . . . 26 LYS N . 25208 1 132 . 1 1 30 30 PHE H H 1 9.535 0.02 . 1 . . . . 27 PHE H . 25208 1 133 . 1 1 30 30 PHE C C 13 173.517 0.3 . 1 . . . . 27 PHE C . 25208 1 134 . 1 1 30 30 PHE CA C 13 56.617 0.3 . 1 . . . . 27 PHE CA . 25208 1 135 . 1 1 30 30 PHE CB C 13 39.004 0.3 . 1 . . . . 27 PHE CB . 25208 1 136 . 1 1 30 30 PHE N N 15 119.787 0.3 . 1 . . . . 27 PHE N . 25208 1 137 . 1 1 31 31 LYS H H 1 7.146 0.02 . 1 . . . . 28 LYS H . 25208 1 138 . 1 1 31 31 LYS C C 13 174.447 0.3 . 1 . . . . 28 LYS C . 25208 1 139 . 1 1 31 31 LYS CA C 13 55.185 0.3 . 1 . . . . 28 LYS CA . 25208 1 140 . 1 1 31 31 LYS CB C 13 38.961 0.3 . 1 . . . . 28 LYS CB . 25208 1 141 . 1 1 31 31 LYS N N 15 115.172 0.3 . 1 . . . . 28 LYS N . 25208 1 142 . 1 1 32 32 LEU H H 1 9.669 0.02 . 1 . . . . 29 LEU H . 25208 1 143 . 1 1 32 32 LEU C C 13 175.758 0.3 . 1 . . . . 29 LEU C . 25208 1 144 . 1 1 32 32 LEU CA C 13 52.536 0.3 . 1 . . . . 29 LEU CA . 25208 1 145 . 1 1 32 32 LEU CB C 13 43.428 0.3 . 1 . . . . 29 LEU CB . 25208 1 146 . 1 1 32 32 LEU N N 15 125.775 0.3 . 1 . . . . 29 LEU N . 25208 1 147 . 1 1 33 33 ASN H H 1 9.605 0.02 . 1 . . . . 30 ASN H . 25208 1 148 . 1 1 33 33 ASN C C 13 175.148 0.3 . 1 . . . . 30 ASN C . 25208 1 149 . 1 1 33 33 ASN CA C 13 50.64 0.3 . 1 . . . . 30 ASN CA . 25208 1 150 . 1 1 33 33 ASN CB C 13 37.226 0.3 . 1 . . . . 30 ASN CB . 25208 1 151 . 1 1 33 33 ASN N N 15 123.41 0.3 . 1 . . . . 30 ASN N . 25208 1 152 . 1 1 34 34 LYS H H 1 8.339 0.02 . 1 . . . . 31 LYS H . 25208 1 153 . 1 1 34 34 LYS C C 13 177.898 0.3 . 1 . . . . 31 LYS C . 25208 1 154 . 1 1 34 34 LYS CA C 13 61.157 0.3 . 1 . . . . 31 LYS CA . 25208 1 155 . 1 1 34 34 LYS CB C 13 31.932 0.3 . 1 . . . . 31 LYS CB . 25208 1 156 . 1 1 34 34 LYS N N 15 116.425 0.3 . 1 . . . . 31 LYS N . 25208 1 157 . 1 1 35 35 SER H H 1 7.694 0.02 . 1 . . . . 32 SER H . 25208 1 158 . 1 1 35 35 SER C C 13 177.573 0.3 . 1 . . . . 32 SER C . 25208 1 159 . 1 1 35 35 SER CA C 13 61.305 0.3 . 1 . . . . 32 SER CA . 25208 1 160 . 1 1 35 35 SER CB C 13 62.514 0.3 . 1 . . . . 32 SER CB . 25208 1 161 . 1 1 35 35 SER N N 15 114.852 0.3 . 1 . . . . 32 SER N . 25208 1 162 . 1 1 36 36 GLU H H 1 8.691 0.02 . 1 . . . . 33 GLU H . 25208 1 163 . 1 1 36 36 GLU C C 13 178.571 0.3 . 1 . . . . 33 GLU C . 25208 1 164 . 1 1 36 36 GLU CA C 13 58.927 0.3 . 1 . . . . 33 GLU CA . 25208 1 165 . 1 1 36 36 GLU CB C 13 30.895 0.3 . 1 . . . . 33 GLU CB . 25208 1 166 . 1 1 36 36 GLU N N 15 123.356 0.3 . 1 . . . . 33 GLU N . 25208 1 167 . 1 1 37 37 LEU H H 1 8.883 0.02 . 1 . . . . 34 LEU H . 25208 1 168 . 1 1 37 37 LEU C C 13 177.732 0.3 . 1 . . . . 34 LEU C . 25208 1 169 . 1 1 37 37 LEU CA C 13 57.887 0.3 . 1 . . . . 34 LEU CA . 25208 1 170 . 1 1 37 37 LEU CB C 13 41.647 0.3 . 1 . . . . 34 LEU CB . 25208 1 171 . 1 1 37 37 LEU N N 15 118.658 0.3 . 1 . . . . 34 LEU N . 25208 1 172 . 1 1 38 38 LYS H H 1 7.999 0.02 . 1 . . . . 35 LYS H . 25208 1 173 . 1 1 38 38 LYS C C 13 179.197 0.3 . 1 . . . . 35 LYS C . 25208 1 174 . 1 1 38 38 LYS CA C 13 60.076 0.3 . 1 . . . . 35 LYS CA . 25208 1 175 . 1 1 38 38 LYS CB C 13 31.761 0.3 . 1 . . . . 35 LYS CB . 25208 1 176 . 1 1 38 38 LYS N N 15 118.4 0.3 . 1 . . . . 35 LYS N . 25208 1 177 . 1 1 39 39 GLU H H 1 7.834 0.02 . 1 . . . . 36 GLU H . 25208 1 178 . 1 1 39 39 GLU C C 13 176.321 0.3 . 1 . . . . 36 GLU C . 25208 1 179 . 1 1 39 39 GLU CA C 13 59.885 0.3 . 1 . . . . 36 GLU CA . 25208 1 180 . 1 1 39 39 GLU CB C 13 29.199 0.3 . 1 . . . . 36 GLU CB . 25208 1 181 . 1 1 39 39 GLU N N 15 121.542 0.3 . 1 . . . . 36 GLU N . 25208 1 182 . 1 1 40 40 LEU H H 1 7.91 0.02 . 1 . . . . 37 LEU H . 25208 1 183 . 1 1 40 40 LEU C C 13 179.344 0.3 . 1 . . . . 37 LEU C . 25208 1 184 . 1 1 40 40 LEU CA C 13 59.363 0.3 . 1 . . . . 37 LEU CA . 25208 1 185 . 1 1 40 40 LEU CB C 13 41.855 0.3 . 1 . . . . 37 LEU CB . 25208 1 186 . 1 1 40 40 LEU N N 15 120.883 0.3 . 1 . . . . 37 LEU N . 25208 1 187 . 1 1 41 41 LEU H H 1 8.459 0.02 . 1 . . . . 38 LEU H . 25208 1 188 . 1 1 41 41 LEU C C 13 178.085 0.3 . 1 . . . . 38 LEU C . 25208 1 189 . 1 1 41 41 LEU CA C 13 59.04 0.3 . 1 . . . . 38 LEU CA . 25208 1 190 . 1 1 41 41 LEU CB C 13 42.286 0.3 . 1 . . . . 38 LEU CB . 25208 1 191 . 1 1 41 41 LEU N N 15 117.969 0.3 . 1 . . . . 38 LEU N . 25208 1 192 . 1 1 42 42 THR H H 1 7.931 0.02 . 1 . . . . 39 THR H . 25208 1 193 . 1 1 42 42 THR C C 13 176.435 0.3 . 1 . . . . 39 THR C . 25208 1 194 . 1 1 42 42 THR CA C 13 65.675 0.3 . 1 . . . . 39 THR CA . 25208 1 195 . 1 1 42 42 THR CB C 13 69.732 0.3 . 1 . . . . 39 THR CB . 25208 1 196 . 1 1 42 42 THR N N 15 108.002 0.3 . 1 . . . . 39 THR N . 25208 1 197 . 1 1 43 43 ARG H H 1 8.215 0.02 . 1 . . . . 40 ARG H . 25208 1 198 . 1 1 43 43 ARG C C 13 178.693 0.3 . 1 . . . . 40 ARG C . 25208 1 199 . 1 1 43 43 ARG CA C 13 57.513 0.3 . 1 . . . . 40 ARG CA . 25208 1 200 . 1 1 43 43 ARG CB C 13 30.911 0.3 . 1 . . . . 40 ARG CB . 25208 1 201 . 1 1 43 43 ARG N N 15 116.166 0.3 . 1 . . . . 40 ARG N . 25208 1 202 . 1 1 44 44 GLU H H 1 8.479 0.02 . 1 . . . . 41 GLU H . 25208 1 203 . 1 1 44 44 GLU C C 13 177.324 0.3 . 1 . . . . 41 GLU C . 25208 1 204 . 1 1 44 44 GLU CA C 13 54.898 0.3 . 1 . . . . 41 GLU CA . 25208 1 205 . 1 1 44 44 GLU CB C 13 29.383 0.3 . 1 . . . . 41 GLU CB . 25208 1 206 . 1 1 44 44 GLU N N 15 113.118 0.3 . 1 . . . . 41 GLU N . 25208 1 207 . 1 1 45 45 LEU H H 1 7.507 0.02 . 1 . . . . 42 LEU H . 25208 1 208 . 1 1 45 45 LEU C C 13 175.226 0.3 . 1 . . . . 42 LEU C . 25208 1 209 . 1 1 45 45 LEU CA C 13 52.941 0.3 . 1 . . . . 42 LEU CA . 25208 1 210 . 1 1 45 45 LEU CB C 13 43.187 0.3 . 1 . . . . 42 LEU CB . 25208 1 211 . 1 1 45 45 LEU N N 15 118.583 0.3 . 1 . . . . 42 LEU N . 25208 1 212 . 1 1 46 46 PRO C C 13 180.491 0.3 . 1 . . . . 43 PRO C . 25208 1 213 . 1 1 46 46 PRO CA C 13 66.039 0.3 . 1 . . . . 43 PRO CA . 25208 1 214 . 1 1 46 46 PRO CB C 13 30.901 0.3 . 1 . . . . 43 PRO CB . 25208 1 215 . 1 1 46 46 PRO N N 15 134.699 0.3 . 1 . . . . 43 PRO N . 25208 1 216 . 1 1 47 47 SER H H 1 9.838 0.02 . 1 . . . . 44 SER H . 25208 1 217 . 1 1 47 47 SER C C 13 175.12 0.3 . 1 . . . . 44 SER C . 25208 1 218 . 1 1 47 47 SER CA C 13 60.892 0.3 . 1 . . . . 44 SER CA . 25208 1 219 . 1 1 47 47 SER CB C 13 61.738 0.3 . 1 . . . . 44 SER CB . 25208 1 220 . 1 1 47 47 SER N N 15 116.765 0.3 . 1 . . . . 44 SER N . 25208 1 221 . 1 1 48 48 PHE H H 1 7.984 0.02 . 1 . . . . 45 PHE H . 25208 1 222 . 1 1 48 48 PHE C C 13 174.932 0.3 . 1 . . . . 45 PHE C . 25208 1 223 . 1 1 48 48 PHE CA C 13 58.787 0.3 . 1 . . . . 45 PHE CA . 25208 1 224 . 1 1 48 48 PHE CB C 13 39.271 0.3 . 1 . . . . 45 PHE CB . 25208 1 225 . 1 1 48 48 PHE N N 15 117.676 0.3 . 1 . . . . 45 PHE N . 25208 1 226 . 1 1 49 49 LEU H H 1 7.226 0.02 . 1 . . . . 46 LEU H . 25208 1 227 . 1 1 49 49 LEU C C 13 177.391 0.3 . 1 . . . . 46 LEU C . 25208 1 228 . 1 1 49 49 LEU CA C 13 55.899 0.3 . 1 . . . . 46 LEU CA . 25208 1 229 . 1 1 49 49 LEU CB C 13 42.631 0.3 . 1 . . . . 46 LEU CB . 25208 1 230 . 1 1 49 49 LEU N N 15 119.621 0.3 . 1 . . . . 46 LEU N . 25208 1 231 . 1 1 50 50 GLY H H 1 8.222 0.02 . 1 . . . . 47 GLY H . 25208 1 232 . 1 1 50 50 GLY C C 13 174.434 0.3 . 1 . . . . 47 GLY C . 25208 1 233 . 1 1 50 50 GLY CA C 13 45.045 0.3 . 1 . . . . 47 GLY CA . 25208 1 234 . 1 1 50 50 GLY N N 15 107.652 0.3 . 1 . . . . 47 GLY N . 25208 1 235 . 1 1 51 51 LYS H H 1 8.98 0.02 . 1 . . . . 48 LYS H . 25208 1 236 . 1 1 51 51 LYS C C 13 177.554 0.3 . 1 . . . . 48 LYS C . 25208 1 237 . 1 1 51 51 LYS CA C 13 56.909 0.3 . 1 . . . . 48 LYS CA . 25208 1 238 . 1 1 51 51 LYS CB C 13 32.762 0.3 . 1 . . . . 48 LYS CB . 25208 1 239 . 1 1 51 51 LYS N N 15 120.95 0.3 . 1 . . . . 48 LYS N . 25208 1 240 . 1 1 52 52 ARG H H 1 8.293 0.02 . 1 . . . . 49 ARG H . 25208 1 241 . 1 1 52 52 ARG C C 13 175.845 0.3 . 1 . . . . 49 ARG C . 25208 1 242 . 1 1 52 52 ARG CA C 13 55.43 0.3 . 1 . . . . 49 ARG CA . 25208 1 243 . 1 1 52 52 ARG CB C 13 29.829 0.3 . 1 . . . . 49 ARG CB . 25208 1 244 . 1 1 52 52 ARG N N 15 119.933 0.3 . 1 . . . . 49 ARG N . 25208 1 245 . 1 1 53 53 THR H H 1 8.155 0.02 . 1 . . . . 50 THR H . 25208 1 246 . 1 1 53 53 THR C C 13 173.699 0.3 . 1 . . . . 50 THR C . 25208 1 247 . 1 1 53 53 THR CA C 13 61.603 0.3 . 1 . . . . 50 THR CA . 25208 1 248 . 1 1 53 53 THR CB C 13 69.009 0.3 . 1 . . . . 50 THR CB . 25208 1 249 . 1 1 53 53 THR N N 15 114.903 0.3 . 1 . . . . 50 THR N . 25208 1 250 . 1 1 54 54 ASP H H 1 8.013 0.02 . 1 . . . . 51 ASP H . 25208 1 251 . 1 1 54 54 ASP C C 13 175.92 0.3 . 1 . . . . 51 ASP C . 25208 1 252 . 1 1 54 54 ASP CA C 13 52.781 0.3 . 1 . . . . 51 ASP CA . 25208 1 253 . 1 1 54 54 ASP CB C 13 41.834 0.3 . 1 . . . . 51 ASP CB . 25208 1 254 . 1 1 54 54 ASP N N 15 123.265 0.3 . 1 . . . . 51 ASP N . 25208 1 255 . 1 1 55 55 GLU H H 1 8.666 0.02 . 1 . . . . 52 GLU H . 25208 1 256 . 1 1 55 55 GLU C C 13 178.873 0.3 . 1 . . . . 52 GLU C . 25208 1 257 . 1 1 55 55 GLU CA C 13 59.52 0.3 . 1 . . . . 52 GLU CA . 25208 1 258 . 1 1 55 55 GLU CB C 13 29.229 0.3 . 1 . . . . 52 GLU CB . 25208 1 259 . 1 1 55 55 GLU N N 15 121.093 0.3 . 1 . . . . 52 GLU N . 25208 1 260 . 1 1 56 56 ALA H H 1 8.271 0.02 . 1 . . . . 53 ALA H . 25208 1 261 . 1 1 56 56 ALA C C 13 180.395 0.3 . 1 . . . . 53 ALA C . 25208 1 262 . 1 1 56 56 ALA CA C 13 54.984 0.3 . 1 . . . . 53 ALA CA . 25208 1 263 . 1 1 56 56 ALA CB C 13 17.711 0.3 . 1 . . . . 53 ALA CB . 25208 1 264 . 1 1 56 56 ALA N N 15 121.941 0.3 . 1 . . . . 53 ALA N . 25208 1 265 . 1 1 57 57 ALA H H 1 7.977 0.02 . 1 . . . . 54 ALA H . 25208 1 266 . 1 1 57 57 ALA C C 13 180.662 0.3 . 1 . . . . 54 ALA C . 25208 1 267 . 1 1 57 57 ALA CA C 13 54.914 0.3 . 1 . . . . 54 ALA CA . 25208 1 268 . 1 1 57 57 ALA CB C 13 18.268 0.3 . 1 . . . . 54 ALA CB . 25208 1 269 . 1 1 57 57 ALA N N 15 122.206 0.3 . 1 . . . . 54 ALA N . 25208 1 270 . 1 1 58 58 PHE H H 1 8.008 0.02 . 1 . . . . 55 PHE H . 25208 1 271 . 1 1 58 58 PHE C C 13 177.579 0.3 . 1 . . . . 55 PHE C . 25208 1 272 . 1 1 58 58 PHE CA C 13 62.839 0.3 . 1 . . . . 55 PHE CA . 25208 1 273 . 1 1 58 58 PHE CB C 13 39.087 0.3 . 1 . . . . 55 PHE CB . 25208 1 274 . 1 1 58 58 PHE N N 15 117.42 0.3 . 1 . . . . 55 PHE N . 25208 1 275 . 1 1 59 59 GLN H H 1 8.4 0.02 . 1 . . . . 56 GLN H . 25208 1 276 . 1 1 59 59 GLN C C 13 178.347 0.3 . 1 . . . . 56 GLN C . 25208 1 277 . 1 1 59 59 GLN CA C 13 58.871 0.3 . 1 . . . . 56 GLN CA . 25208 1 278 . 1 1 59 59 GLN CB C 13 27.698 0.3 . 1 . . . . 56 GLN CB . 25208 1 279 . 1 1 59 59 GLN N N 15 120.561 0.3 . 1 . . . . 56 GLN N . 25208 1 280 . 1 1 60 60 LYS H H 1 7.924 0.02 . 1 . . . . 57 LYS H . 25208 1 281 . 1 1 60 60 LYS C C 13 179.14 0.3 . 1 . . . . 57 LYS C . 25208 1 282 . 1 1 60 60 LYS CA C 13 59.165 0.3 . 1 . . . . 57 LYS CA . 25208 1 283 . 1 1 60 60 LYS CB C 13 31.939 0.3 . 1 . . . . 57 LYS CB . 25208 1 284 . 1 1 60 60 LYS N N 15 120.447 0.3 . 1 . . . . 57 LYS N . 25208 1 285 . 1 1 61 61 LEU H H 1 7.859 0.02 . 1 . . . . 58 LEU H . 25208 1 286 . 1 1 61 61 LEU C C 13 178.059 0.3 . 1 . . . . 58 LEU C . 25208 1 287 . 1 1 61 61 LEU CA C 13 58.42 0.3 . 1 . . . . 58 LEU CA . 25208 1 288 . 1 1 61 61 LEU CB C 13 41.316 0.3 . 1 . . . . 58 LEU CB . 25208 1 289 . 1 1 61 61 LEU N N 15 119.825 0.3 . 1 . . . . 58 LEU N . 25208 1 290 . 1 1 62 62 MET H H 1 8.233 0.02 . 1 . . . . 59 MET H . 25208 1 291 . 1 1 62 62 MET C C 13 177.067 0.3 . 1 . . . . 59 MET C . 25208 1 292 . 1 1 62 62 MET CA C 13 58.569 0.3 . 1 . . . . 59 MET CA . 25208 1 293 . 1 1 62 62 MET CB C 13 30.528 0.3 . 1 . . . . 59 MET CB . 25208 1 294 . 1 1 62 62 MET N N 15 118.447 0.3 . 1 . . . . 59 MET N . 25208 1 295 . 1 1 63 63 SER H H 1 8.051 0.02 . 1 . . . . 60 SER H . 25208 1 296 . 1 1 63 63 SER C C 13 176.413 0.3 . 1 . . . . 60 SER C . 25208 1 297 . 1 1 63 63 SER CA C 13 61.47 0.3 . 1 . . . . 60 SER CA . 25208 1 298 . 1 1 63 63 SER CB C 13 62.812 0.3 . 1 . . . . 60 SER CB . 25208 1 299 . 1 1 63 63 SER N N 15 111.581 0.3 . 1 . . . . 60 SER N . 25208 1 300 . 1 1 64 64 ASN H H 1 7.679 0.02 . 1 . . . . 61 ASN H . 25208 1 301 . 1 1 64 64 ASN C C 13 175.15 0.3 . 1 . . . . 61 ASN C . 25208 1 302 . 1 1 64 64 ASN CA C 13 55.563 0.3 . 1 . . . . 61 ASN CA . 25208 1 303 . 1 1 64 64 ASN CB C 13 39.255 0.3 . 1 . . . . 61 ASN CB . 25208 1 304 . 1 1 64 64 ASN N N 15 117.5 0.3 . 1 . . . . 61 ASN N . 25208 1 305 . 1 1 65 65 LEU H H 1 7.954 0.02 . 1 . . . . 62 LEU H . 25208 1 306 . 1 1 65 65 LEU C C 13 178.185 0.3 . 1 . . . . 62 LEU C . 25208 1 307 . 1 1 65 65 LEU CA C 13 56.236 0.3 . 1 . . . . 62 LEU CA . 25208 1 308 . 1 1 65 65 LEU CB C 13 42.979 0.3 . 1 . . . . 62 LEU CB . 25208 1 309 . 1 1 65 65 LEU N N 15 117.334 0.3 . 1 . . . . 62 LEU N . 25208 1 310 . 1 1 66 66 ASP H H 1 7.743 0.02 . 1 . . . . 63 ASP H . 25208 1 311 . 1 1 66 66 ASP C C 13 176.819 0.3 . 1 . . . . 63 ASP C . 25208 1 312 . 1 1 66 66 ASP CA C 13 52.661 0.3 . 1 . . . . 63 ASP CA . 25208 1 313 . 1 1 66 66 ASP CB C 13 39.655 0.3 . 1 . . . . 63 ASP CB . 25208 1 314 . 1 1 66 66 ASP N N 15 116.47 0.3 . 1 . . . . 63 ASP N . 25208 1 315 . 1 1 67 67 SER H H 1 8.218 0.02 . 1 . . . . 64 SER H . 25208 1 316 . 1 1 67 67 SER C C 13 176.16 0.3 . 1 . . . . 64 SER C . 25208 1 317 . 1 1 67 67 SER CA C 13 60.322 0.3 . 1 . . . . 64 SER CA . 25208 1 318 . 1 1 67 67 SER CB C 13 63.073 0.3 . 1 . . . . 64 SER CB . 25208 1 319 . 1 1 67 67 SER N N 15 122.574 0.3 . 1 . . . . 64 SER N . 25208 1 320 . 1 1 68 68 ASN H H 1 8.137 0.02 . 1 . . . . 65 ASN H . 25208 1 321 . 1 1 68 68 ASN C C 13 174.831 0.3 . 1 . . . . 65 ASN C . 25208 1 322 . 1 1 68 68 ASN CA C 13 51.927 0.3 . 1 . . . . 65 ASN CA . 25208 1 323 . 1 1 68 68 ASN CB C 13 36.979 0.3 . 1 . . . . 65 ASN CB . 25208 1 324 . 1 1 68 68 ASN N N 15 116.664 0.3 . 1 . . . . 65 ASN N . 25208 1 325 . 1 1 69 69 ARG H H 1 7.644 0.02 . 1 . . . . 66 ARG H . 25208 1 326 . 1 1 69 69 ARG C C 13 175.482 0.3 . 1 . . . . 66 ARG C . 25208 1 327 . 1 1 69 69 ARG CA C 13 57.317 0.3 . 1 . . . . 66 ARG CA . 25208 1 328 . 1 1 69 69 ARG CB C 13 26.737 0.3 . 1 . . . . 66 ARG CB . 25208 1 329 . 1 1 69 69 ARG N N 15 115.208 0.3 . 1 . . . . 66 ARG N . 25208 1 330 . 1 1 70 70 ASP H H 1 8.708 0.02 . 1 . . . . 67 ASP H . 25208 1 331 . 1 1 70 70 ASP C C 13 177.216 0.3 . 1 . . . . 67 ASP C . 25208 1 332 . 1 1 70 70 ASP CA C 13 52.881 0.3 . 1 . . . . 67 ASP CA . 25208 1 333 . 1 1 70 70 ASP CB C 13 40.557 0.3 . 1 . . . . 67 ASP CB . 25208 1 334 . 1 1 70 70 ASP N N 15 119.806 0.3 . 1 . . . . 67 ASP N . 25208 1 335 . 1 1 71 71 ASN H H 1 10.365 0.02 . 1 . . . . 68 ASN H . 25208 1 336 . 1 1 71 71 ASN C C 13 173.076 0.3 . 1 . . . . 68 ASN C . 25208 1 337 . 1 1 71 71 ASN CA C 13 55.154 0.3 . 1 . . . . 68 ASN CA . 25208 1 338 . 1 1 71 71 ASN CB C 13 37.839 0.3 . 1 . . . . 68 ASN CB . 25208 1 339 . 1 1 71 71 ASN N N 15 116.793 0.3 . 1 . . . . 68 ASN N . 25208 1 340 . 1 1 72 72 GLU H H 1 7.761 0.02 . 1 . . . . 69 GLU H . 25208 1 341 . 1 1 72 72 GLU C C 13 175.542 0.3 . 1 . . . . 69 GLU C . 25208 1 342 . 1 1 72 72 GLU CA C 13 54.849 0.3 . 1 . . . . 69 GLU CA . 25208 1 343 . 1 1 72 72 GLU CB C 13 35.431 0.3 . 1 . . . . 69 GLU CB . 25208 1 344 . 1 1 72 72 GLU N N 15 116.244 0.3 . 1 . . . . 69 GLU N . 25208 1 345 . 1 1 73 73 VAL H H 1 9.999 0.02 . 1 . . . . 70 VAL H . 25208 1 346 . 1 1 73 73 VAL C C 13 175.928 0.3 . 1 . . . . 70 VAL C . 25208 1 347 . 1 1 73 73 VAL CA C 13 61.259 0.3 . 1 . . . . 70 VAL CA . 25208 1 348 . 1 1 73 73 VAL CB C 13 33.265 0.3 . 1 . . . . 70 VAL CB . 25208 1 349 . 1 1 73 73 VAL N N 15 125.896 0.3 . 1 . . . . 70 VAL N . 25208 1 350 . 1 1 74 74 ASP H H 1 9.098 0.02 . 1 . . . . 71 ASP H . 25208 1 351 . 1 1 74 74 ASP C C 13 174.926 0.3 . 1 . . . . 71 ASP C . 25208 1 352 . 1 1 74 74 ASP CA C 13 52.401 0.3 . 1 . . . . 71 ASP CA . 25208 1 353 . 1 1 74 74 ASP CB C 13 41.298 0.3 . 1 . . . . 71 ASP CB . 25208 1 354 . 1 1 74 74 ASP N N 15 128.747 0.3 . 1 . . . . 71 ASP N . 25208 1 355 . 1 1 75 75 PHE H H 1 8.91 0.02 . 1 . . . . 72 PHE H . 25208 1 356 . 1 1 75 75 PHE C C 13 177.469 0.3 . 1 . . . . 72 PHE C . 25208 1 357 . 1 1 75 75 PHE CA C 13 63.304 0.3 . 1 . . . . 72 PHE CA . 25208 1 358 . 1 1 75 75 PHE CB C 13 38.97 0.3 . 1 . . . . 72 PHE CB . 25208 1 359 . 1 1 75 75 PHE N N 15 117.966 0.3 . 1 . . . . 72 PHE N . 25208 1 360 . 1 1 76 76 GLN H H 1 8.259 0.02 . 1 . . . . 73 GLN H . 25208 1 361 . 1 1 76 76 GLN C C 13 177.982 0.3 . 1 . . . . 73 GLN C . 25208 1 362 . 1 1 76 76 GLN CA C 13 60.663 0.3 . 1 . . . . 73 GLN CA . 25208 1 363 . 1 1 76 76 GLN CB C 13 28.107 0.3 . 1 . . . . 73 GLN CB . 25208 1 364 . 1 1 76 76 GLN N N 15 120.999 0.3 . 1 . . . . 73 GLN N . 25208 1 365 . 1 1 77 77 GLU H H 1 8.751 0.02 . 1 . . . . 74 GLU H . 25208 1 366 . 1 1 77 77 GLU C C 13 180.719 0.3 . 1 . . . . 74 GLU C . 25208 1 367 . 1 1 77 77 GLU CA C 13 58.409 0.3 . 1 . . . . 74 GLU CA . 25208 1 368 . 1 1 77 77 GLU CB C 13 30.625 0.3 . 1 . . . . 74 GLU CB . 25208 1 369 . 1 1 77 77 GLU N N 15 118.761 0.3 . 1 . . . . 74 GLU N . 25208 1 370 . 1 1 78 78 TYR H H 1 8.926 0.02 . 1 . . . . 75 TYR H . 25208 1 371 . 1 1 78 78 TYR C C 13 175.882 0.3 . 1 . . . . 75 TYR C . 25208 1 372 . 1 1 78 78 TYR CA C 13 60.157 0.3 . 1 . . . . 75 TYR CA . 25208 1 373 . 1 1 78 78 TYR CB C 13 38.192 0.3 . 1 . . . . 75 TYR CB . 25208 1 374 . 1 1 78 78 TYR N N 15 124.095 0.3 . 1 . . . . 75 TYR N . 25208 1 375 . 1 1 79 79 CYS H H 1 8.414 0.02 . 1 . . . . 76 CYS H . 25208 1 376 . 1 1 79 79 CYS C C 13 178.465 0.3 . 1 . . . . 76 CYS C . 25208 1 377 . 1 1 79 79 CYS CA C 13 65.171 0.3 . 1 . . . . 76 CYS CA . 25208 1 378 . 1 1 79 79 CYS CB C 13 25.33 0.3 . 1 . . . . 76 CYS CB . 25208 1 379 . 1 1 79 79 CYS N N 15 122.912 0.3 . 1 . . . . 76 CYS N . 25208 1 380 . 1 1 80 80 VAL H H 1 8.35 0.02 . 1 . . . . 77 VAL H . 25208 1 381 . 1 1 80 80 VAL C C 13 177.654 0.3 . 1 . . . . 77 VAL C . 25208 1 382 . 1 1 80 80 VAL CA C 13 67.394 0.3 . 1 . . . . 77 VAL CA . 25208 1 383 . 1 1 80 80 VAL CB C 13 31.227 0.3 . 1 . . . . 77 VAL CB . 25208 1 384 . 1 1 80 80 VAL N N 15 121.71 0.3 . 1 . . . . 77 VAL N . 25208 1 385 . 1 1 81 81 PHE H H 1 8.165 0.02 . 1 . . . . 78 PHE H . 25208 1 386 . 1 1 81 81 PHE C C 13 176.364 0.3 . 1 . . . . 78 PHE C . 25208 1 387 . 1 1 81 81 PHE CA C 13 59.142 0.3 . 1 . . . . 78 PHE CA . 25208 1 388 . 1 1 81 81 PHE CB C 13 37.75 0.3 . 1 . . . . 78 PHE CB . 25208 1 389 . 1 1 81 81 PHE N N 15 122.016 0.3 . 1 . . . . 78 PHE N . 25208 1 390 . 1 1 82 82 LEU H H 1 8.067 0.02 . 1 . . . . 79 LEU H . 25208 1 391 . 1 1 82 82 LEU C C 13 178.954 0.3 . 1 . . . . 79 LEU C . 25208 1 392 . 1 1 82 82 LEU CA C 13 57.559 0.3 . 1 . . . . 79 LEU CA . 25208 1 393 . 1 1 82 82 LEU CB C 13 40.012 0.3 . 1 . . . . 79 LEU CB . 25208 1 394 . 1 1 82 82 LEU N N 15 116.821 0.3 . 1 . . . . 79 LEU N . 25208 1 395 . 1 1 83 83 SER H H 1 8.108 0.02 . 1 . . . . 80 SER H . 25208 1 396 . 1 1 83 83 SER C C 13 175.393 0.3 . 1 . . . . 80 SER C . 25208 1 397 . 1 1 83 83 SER CA C 13 63.484 0.3 . 1 . . . . 80 SER CA . 25208 1 398 . 1 1 83 83 SER CB C 13 62.673 0.3 . 1 . . . . 80 SER CB . 25208 1 399 . 1 1 83 83 SER N N 15 115.96 0.3 . 1 . . . . 80 SER N . 25208 1 400 . 1 1 84 84 CYS H H 1 8.487 0.02 . 1 . . . . 81 CYS H . 25208 1 401 . 1 1 84 84 CYS C C 13 178.274 0.3 . 1 . . . . 81 CYS C . 25208 1 402 . 1 1 84 84 CYS CA C 13 64.406 0.3 . 1 . . . . 81 CYS CA . 25208 1 403 . 1 1 84 84 CYS CB C 13 26.445 0.3 . 1 . . . . 81 CYS CB . 25208 1 404 . 1 1 84 84 CYS N N 15 120.554 0.3 . 1 . . . . 81 CYS N . 25208 1 405 . 1 1 85 85 ILE H H 1 7.696 0.02 . 1 . . . . 82 ILE H . 25208 1 406 . 1 1 85 85 ILE C C 13 177.938 0.3 . 1 . . . . 82 ILE C . 25208 1 407 . 1 1 85 85 ILE CA C 13 65.417 0.3 . 1 . . . . 82 ILE CA . 25208 1 408 . 1 1 85 85 ILE CB C 13 36.489 0.3 . 1 . . . . 82 ILE CB . 25208 1 409 . 1 1 85 85 ILE N N 15 120.508 0.3 . 1 . . . . 82 ILE N . 25208 1 410 . 1 1 86 86 ALA H H 1 8.73 0.02 . 1 . . . . 83 ALA H . 25208 1 411 . 1 1 86 86 ALA C C 13 179.537 0.3 . 1 . . . . 83 ALA C . 25208 1 412 . 1 1 86 86 ALA CA C 13 56.12 0.3 . 1 . . . . 83 ALA CA . 25208 1 413 . 1 1 86 86 ALA CB C 13 17.307 0.3 . 1 . . . . 83 ALA CB . 25208 1 414 . 1 1 86 86 ALA N N 15 124.627 0.3 . 1 . . . . 83 ALA N . 25208 1 415 . 1 1 87 87 MET H H 1 8.603 0.02 . 1 . . . . 84 MET H . 25208 1 416 . 1 1 87 87 MET C C 13 178.855 0.3 . 1 . . . . 84 MET C . 25208 1 417 . 1 1 87 87 MET CA C 13 59.657 0.3 . 1 . . . . 84 MET CA . 25208 1 418 . 1 1 87 87 MET CB C 13 33.128 0.3 . 1 . . . . 84 MET CB . 25208 1 419 . 1 1 87 87 MET N N 15 114.604 0.3 . 1 . . . . 84 MET N . 25208 1 420 . 1 1 88 88 MET H H 1 7.649 0.02 . 1 . . . . 85 MET H . 25208 1 421 . 1 1 88 88 MET C C 13 177.9 0.3 . 1 . . . . 85 MET C . 25208 1 422 . 1 1 88 88 MET CA C 13 58.414 0.3 . 1 . . . . 85 MET CA . 25208 1 423 . 1 1 88 88 MET CB C 13 32.811 0.3 . 1 . . . . 85 MET CB . 25208 1 424 . 1 1 88 88 MET N N 15 119.869 0.3 . 1 . . . . 85 MET N . 25208 1 425 . 1 1 89 89 CYS H H 1 7.999 0.02 . 1 . . . . 86 CYS H . 25208 1 426 . 1 1 89 89 CYS C C 13 174.436 0.3 . 1 . . . . 86 CYS C . 25208 1 427 . 1 1 89 89 CYS CA C 13 61.508 0.3 . 1 . . . . 86 CYS CA . 25208 1 428 . 1 1 89 89 CYS CB C 13 27.391 0.3 . 1 . . . . 86 CYS CB . 25208 1 429 . 1 1 89 89 CYS N N 15 116.819 0.3 . 1 . . . . 86 CYS N . 25208 1 430 . 1 1 90 90 ASN H H 1 7.592 0.02 . 1 . . . . 87 ASN H . 25208 1 431 . 1 1 90 90 ASN C C 13 173.528 0.3 . 1 . . . . 87 ASN C . 25208 1 432 . 1 1 90 90 ASN CA C 13 53.587 0.3 . 1 . . . . 87 ASN CA . 25208 1 433 . 1 1 90 90 ASN CB C 13 39.586 0.3 . 1 . . . . 87 ASN CB . 25208 1 434 . 1 1 90 90 ASN N N 15 118.365 0.3 . 1 . . . . 87 ASN N . 25208 1 435 . 1 1 91 91 GLU H H 1 7.254 0.02 . 1 . . . . 88 GLU H . 25208 1 436 . 1 1 91 91 GLU C C 13 180.743 0.3 . 1 . . . . 88 GLU C . 25208 1 437 . 1 1 91 91 GLU CA C 13 58.273 0.3 . 1 . . . . 88 GLU CA . 25208 1 438 . 1 1 91 91 GLU CB C 13 30.801 0.3 . 1 . . . . 88 GLU CB . 25208 1 439 . 1 1 91 91 GLU N N 15 124.721 0.3 . 1 . . . . 88 GLU N . 25208 1 stop_ save_ save_chain_B _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chain_B _Assigned_chem_shift_list.Entry_ID 25208 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25208 2 2 '3D HNCA' . . . 25208 2 3 '3D HN(CO)CA' . . . 25208 2 4 '3D HNCO' . . . 25208 2 5 '3D HN(CA)CO' . . . 25208 2 6 '3D CBCA(CO)NH' . . . 25208 2 7 '3D BEST-HNCACB' . . . 25208 2 8 '2D CON' . . . 25208 2 9 '2D CBCACO' . . . 25208 2 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 . 2 1 3 3 HIS H H 1 8.671 0.02 . 1 . . . . 0 HIS H . 25208 2 2 . 2 1 3 3 HIS C C 13 174.452 0.3 . 1 . . . . 0 HIS C . 25208 2 3 . 2 1 3 3 HIS CA C 13 55.732 0.3 . 1 . . . . 0 HIS CA . 25208 2 4 . 2 1 3 3 HIS CB C 13 29.314 0.3 . 1 . . . . 0 HIS CB . 25208 2 5 . 2 1 3 3 HIS N N 15 121.076 0.3 . 1 . . . . 0 HIS N . 25208 2 6 . 2 1 4 4 MET H H 1 8.401 0.02 . 1 . . . . 1 MET H . 25208 2 7 . 2 1 4 4 MET C C 13 175.356 0.3 . 1 . . . . 1 MET C . 25208 2 8 . 2 1 4 4 MET CA C 13 55.281 0.3 . 1 . . . . 1 MET CA . 25208 2 9 . 2 1 4 4 MET CB C 13 32.718 0.3 . 1 . . . . 1 MET CB . 25208 2 10 . 2 1 4 4 MET N N 15 122.343 0.3 . 1 . . . . 1 MET N . 25208 2 11 . 2 1 5 5 ALA H H 1 8.395 0.02 . 1 . . . . 2 ALA H . 25208 2 12 . 2 1 5 5 ALA C C 13 177.684 0.3 . 1 . . . . 2 ALA C . 25208 2 13 . 2 1 5 5 ALA CA C 13 52.528 0.3 . 1 . . . . 2 ALA CA . 25208 2 14 . 2 1 5 5 ALA CB C 13 19.727 0.3 . 1 . . . . 2 ALA CB . 25208 2 15 . 2 1 5 5 ALA N N 15 125.515 0.3 . 1 . . . . 2 ALA N . 25208 2 16 . 2 1 6 6 CYS H H 1 8.904 0.02 . 1 . . . . 3 CYS H . 25208 2 17 . 2 1 6 6 CYS C C 13 174.02 0.3 . 1 . . . . 3 CYS C . 25208 2 18 . 2 1 6 6 CYS CA C 13 58.28 0.3 . 1 . . . . 3 CYS CA . 25208 2 19 . 2 1 6 6 CYS CB C 13 27.16 0.3 . 1 . . . . 3 CYS CB . 25208 2 20 . 2 1 6 6 CYS N N 15 120.803 0.3 . 1 . . . . 3 CYS N . 25208 2 21 . 2 1 7 7 PRO C C 13 179.265 0.3 . 1 . . . . 4 PRO C . 25208 2 22 . 2 1 7 7 PRO CA C 13 66.419 0.3 . 1 . . . . 4 PRO CA . 25208 2 23 . 2 1 7 7 PRO CB C 13 32.614 0.3 . 1 . . . . 4 PRO CB . 25208 2 24 . 2 1 7 7 PRO N N 15 138.367 0.3 . 1 . . . . 4 PRO N . 25208 2 25 . 2 1 8 8 LEU H H 1 10.77 0.02 . 1 . . . . 5 LEU H . 25208 2 26 . 2 1 8 8 LEU C C 13 178.587 0.3 . 1 . . . . 5 LEU C . 25208 2 27 . 2 1 8 8 LEU CA C 13 57.187 0.3 . 1 . . . . 5 LEU CA . 25208 2 28 . 2 1 8 8 LEU CB C 13 42.551 0.3 . 1 . . . . 5 LEU CB . 25208 2 29 . 2 1 8 8 LEU N N 15 122.033 0.3 . 1 . . . . 5 LEU N . 25208 2 30 . 2 1 9 9 GLU H H 1 6.999 0.02 . 1 . . . . 6 GLU H . 25208 2 31 . 2 1 9 9 GLU C C 13 179.563 0.3 . 1 . . . . 6 GLU C . 25208 2 32 . 2 1 9 9 GLU CA C 13 60.152 0.3 . 1 . . . . 6 GLU CA . 25208 2 33 . 2 1 9 9 GLU CB C 13 28.878 0.3 . 1 . . . . 6 GLU CB . 25208 2 34 . 2 1 9 9 GLU N N 15 116.937 0.3 . 1 . . . . 6 GLU N . 25208 2 35 . 2 1 10 10 LYS H H 1 8.018 0.02 . 1 . . . . 7 LYS H . 25208 2 36 . 2 1 10 10 LYS C C 13 178.624 0.3 . 1 . . . . 7 LYS C . 25208 2 37 . 2 1 10 10 LYS CA C 13 58.785 0.3 . 1 . . . . 7 LYS CA . 25208 2 38 . 2 1 10 10 LYS CB C 13 31.556 0.3 . 1 . . . . 7 LYS CB . 25208 2 39 . 2 1 10 10 LYS N N 15 119.569 0.3 . 1 . . . . 7 LYS N . 25208 2 40 . 2 1 11 11 ALA H H 1 8.187 0.02 . 1 . . . . 8 ALA H . 25208 2 41 . 2 1 11 11 ALA C C 13 179.238 0.3 . 1 . . . . 8 ALA C . 25208 2 42 . 2 1 11 11 ALA CA C 13 55.363 0.3 . 1 . . . . 8 ALA CA . 25208 2 43 . 2 1 11 11 ALA CB C 13 17.757 0.3 . 1 . . . . 8 ALA CB . 25208 2 44 . 2 1 11 11 ALA N N 15 122.089 0.3 . 1 . . . . 8 ALA N . 25208 2 45 . 2 1 12 12 LEU H H 1 7.71 0.02 . 1 . . . . 9 LEU H . 25208 2 46 . 2 1 12 12 LEU C C 13 178.652 0.3 . 1 . . . . 9 LEU C . 25208 2 47 . 2 1 12 12 LEU CA C 13 58.102 0.3 . 1 . . . . 9 LEU CA . 25208 2 48 . 2 1 12 12 LEU CB C 13 41.518 0.3 . 1 . . . . 9 LEU CB . 25208 2 49 . 2 1 12 12 LEU N N 15 118.336 0.3 . 1 . . . . 9 LEU N . 25208 2 50 . 2 1 13 13 ASP H H 1 7.724 0.02 . 1 . . . . 10 ASP H . 25208 2 51 . 2 1 13 13 ASP C C 13 179.715 0.3 . 1 . . . . 10 ASP C . 25208 2 52 . 2 1 13 13 ASP CA C 13 57.769 0.3 . 1 . . . . 10 ASP CA . 25208 2 53 . 2 1 13 13 ASP CB C 13 41.104 0.3 . 1 . . . . 10 ASP CB . 25208 2 54 . 2 1 13 13 ASP N N 15 119.095 0.3 . 1 . . . . 10 ASP N . 25208 2 55 . 2 1 14 14 VAL H H 1 8.45 0.02 . 1 . . . . 11 VAL H . 25208 2 56 . 2 1 14 14 VAL C C 13 180.274 0.3 . 1 . . . . 11 VAL C . 25208 2 57 . 2 1 14 14 VAL CA C 13 66.228 0.3 . 1 . . . . 11 VAL CA . 25208 2 58 . 2 1 14 14 VAL CB C 13 31.727 0.3 . 1 . . . . 11 VAL CB . 25208 2 59 . 2 1 14 14 VAL N N 15 121.294 0.3 . 1 . . . . 11 VAL N . 25208 2 60 . 2 1 15 15 MET H H 1 8.754 0.02 . 1 . . . . 12 MET H . 25208 2 61 . 2 1 15 15 MET C C 13 179.489 0.3 . 1 . . . . 12 MET C . 25208 2 62 . 2 1 15 15 MET CA C 13 60.899 0.3 . 1 . . . . 12 MET CA . 25208 2 63 . 2 1 15 15 MET CB C 13 32.963 0.3 . 1 . . . . 12 MET CB . 25208 2 64 . 2 1 15 15 MET N N 15 124.34 0.3 . 1 . . . . 12 MET N . 25208 2 65 . 2 1 16 16 VAL H H 1 8.456 0.02 . 1 . . . . 13 VAL H . 25208 2 66 . 2 1 16 16 VAL C C 13 177.995 0.3 . 1 . . . . 13 VAL C . 25208 2 67 . 2 1 16 16 VAL CA C 13 66.896 0.3 . 1 . . . . 13 VAL CA . 25208 2 68 . 2 1 16 16 VAL CB C 13 32.62 0.3 . 1 . . . . 13 VAL CB . 25208 2 69 . 2 1 16 16 VAL N N 15 119.854 0.3 . 1 . . . . 13 VAL N . 25208 2 70 . 2 1 17 17 SER H H 1 8.888 0.02 . 1 . . . . 14 SER H . 25208 2 71 . 2 1 17 17 SER C C 13 178.866 0.3 . 1 . . . . 14 SER C . 25208 2 72 . 2 1 17 17 SER CA C 13 61.899 0.3 . 1 . . . . 14 SER CA . 25208 2 73 . 2 1 17 17 SER CB C 13 62.66 0.3 . 1 . . . . 14 SER CB . 25208 2 74 . 2 1 17 17 SER N N 15 114.125 0.3 . 1 . . . . 14 SER N . 25208 2 75 . 2 1 18 18 THR H H 1 8.633 0.02 . 1 . . . . 15 THR H . 25208 2 76 . 2 1 18 18 THR C C 13 175.001 0.3 . 1 . . . . 15 THR C . 25208 2 77 . 2 1 18 18 THR CA C 13 67.953 0.3 . 1 . . . . 15 THR CA . 25208 2 78 . 2 1 18 18 THR N N 15 118.391 0.3 . 1 . . . . 15 THR N . 25208 2 79 . 2 1 19 19 PHE H H 1 7.076 0.02 . 1 . . . . 16 PHE H . 25208 2 80 . 2 1 19 19 PHE C C 13 176.955 0.3 . 1 . . . . 16 PHE C . 25208 2 81 . 2 1 19 19 PHE CA C 13 62.653 0.3 . 1 . . . . 16 PHE CA . 25208 2 82 . 2 1 19 19 PHE CB C 13 39.544 0.3 . 1 . . . . 16 PHE CB . 25208 2 83 . 2 1 19 19 PHE N N 15 119.736 0.3 . 1 . . . . 16 PHE N . 25208 2 84 . 2 1 20 20 HIS H H 1 7.104 0.02 . 1 . . . . 17 HIS H . 25208 2 85 . 2 1 20 20 HIS C C 13 176.451 0.3 . 1 . . . . 17 HIS C . 25208 2 86 . 2 1 20 20 HIS CA C 13 57.527 0.3 . 1 . . . . 17 HIS CA . 25208 2 87 . 2 1 20 20 HIS CB C 13 29.619 0.3 . 1 . . . . 17 HIS CB . 25208 2 88 . 2 1 20 20 HIS N N 15 114.512 0.3 . 1 . . . . 17 HIS N . 25208 2 89 . 2 1 21 21 LYS H H 1 7.71 0.02 . 1 . . . . 18 LYS H . 25208 2 90 . 2 1 21 21 LYS C C 13 176.706 0.3 . 1 . . . . 18 LYS C . 25208 2 91 . 2 1 21 21 LYS CA C 13 58.689 0.3 . 1 . . . . 18 LYS CA . 25208 2 92 . 2 1 21 21 LYS CB C 13 32.511 0.3 . 1 . . . . 18 LYS CB . 25208 2 93 . 2 1 21 21 LYS N N 15 120.556 0.3 . 1 . . . . 18 LYS N . 25208 2 94 . 2 1 22 22 TYR H H 1 6.798 0.02 . 1 . . . . 19 TYR H . 25208 2 95 . 2 1 22 22 TYR C C 13 176.095 0.3 . 1 . . . . 19 TYR C . 25208 2 96 . 2 1 22 22 TYR CA C 13 59.657 0.3 . 1 . . . . 19 TYR CA . 25208 2 97 . 2 1 22 22 TYR CB C 13 40.688 0.3 . 1 . . . . 19 TYR CB . 25208 2 98 . 2 1 22 22 TYR N N 15 113.071 0.3 . 1 . . . . 19 TYR N . 25208 2 99 . 2 1 23 23 SER H H 1 8.461 0.02 . 1 . . . . 20 SER H . 25208 2 100 . 2 1 23 23 SER C C 13 176.713 0.3 . 1 . . . . 20 SER C . 25208 2 101 . 2 1 23 23 SER CA C 13 61.91 0.3 . 1 . . . . 20 SER CA . 25208 2 102 . 2 1 23 23 SER CB C 13 61.098 0.3 . 1 . . . . 20 SER CB . 25208 2 103 . 2 1 23 23 SER N N 15 114.003 0.3 . 1 . . . . 20 SER N . 25208 2 104 . 2 1 24 24 GLY H H 1 7.628 0.02 . 1 . . . . 21 GLY H . 25208 2 105 . 2 1 24 24 GLY C C 13 173.609 0.3 . 1 . . . . 21 GLY C . 25208 2 106 . 2 1 24 24 GLY CA C 13 45.393 0.3 . 1 . . . . 21 GLY CA . 25208 2 107 . 2 1 24 24 GLY N N 15 109.952 0.3 . 1 . . . . 21 GLY N . 25208 2 108 . 2 1 25 25 LYS H H 1 7.166 0.02 . 1 . . . . 22 LYS H . 25208 2 109 . 2 1 25 25 LYS C C 13 177.482 0.3 . 1 . . . . 22 LYS C . 25208 2 110 . 2 1 25 25 LYS CA C 13 60.149 0.3 . 1 . . . . 22 LYS CA . 25208 2 111 . 2 1 25 25 LYS CB C 13 32.788 0.3 . 1 . . . . 22 LYS CB . 25208 2 112 . 2 1 25 25 LYS N N 15 121.967 0.3 . 1 . . . . 22 LYS N . 25208 2 113 . 2 1 26 26 GLU H H 1 9.596 0.02 . 1 . . . . 23 GLU H . 25208 2 114 . 2 1 26 26 GLU C C 13 176.855 0.3 . 1 . . . . 23 GLU C . 25208 2 115 . 2 1 26 26 GLU CA C 13 54.403 0.3 . 1 . . . . 23 GLU CA . 25208 2 116 . 2 1 26 26 GLU CB C 13 34.134 0.3 . 1 . . . . 23 GLU CB . 25208 2 117 . 2 1 26 26 GLU N N 15 116.418 0.3 . 1 . . . . 23 GLU N . 25208 2 118 . 2 1 27 27 GLY H H 1 8.974 0.02 . 1 . . . . 24 GLY H . 25208 2 119 . 2 1 27 27 GLY C C 13 173.64 0.3 . 1 . . . . 24 GLY C . 25208 2 120 . 2 1 27 27 GLY CA C 13 46.277 0.3 . 1 . . . . 24 GLY CA . 25208 2 121 . 2 1 27 27 GLY N N 15 113.324 0.3 . 1 . . . . 24 GLY N . 25208 2 122 . 2 1 28 28 ASP H H 1 8.597 0.02 . 1 . . . . 25 ASP H . 25208 2 123 . 2 1 28 28 ASP C C 13 179.272 0.3 . 1 . . . . 25 ASP C . 25208 2 124 . 2 1 28 28 ASP CA C 13 55.113 0.3 . 1 . . . . 25 ASP CA . 25208 2 125 . 2 1 28 28 ASP CB C 13 41.6 0.3 . 1 . . . . 25 ASP CB . 25208 2 126 . 2 1 28 28 ASP N N 15 126.211 0.3 . 1 . . . . 25 ASP N . 25208 2 127 . 2 1 29 29 LYS H H 1 9.385 0.02 . 1 . . . . 26 LYS H . 25208 2 128 . 2 1 29 29 LYS C C 13 176.688 0.3 . 1 . . . . 26 LYS C . 25208 2 129 . 2 1 29 29 LYS CA C 13 57.905 0.3 . 1 . . . . 26 LYS CA . 25208 2 130 . 2 1 29 29 LYS CB C 13 31.096 0.3 . 1 . . . . 26 LYS CB . 25208 2 131 . 2 1 29 29 LYS N N 15 131.877 0.3 . 1 . . . . 26 LYS N . 25208 2 132 . 2 1 30 30 PHE H H 1 9.54 0.02 . 1 . . . . 27 PHE H . 25208 2 133 . 2 1 30 30 PHE C C 13 173.517 0.3 . 1 . . . . 27 PHE C . 25208 2 134 . 2 1 30 30 PHE CA C 13 56.54 0.3 . 1 . . . . 27 PHE CA . 25208 2 135 . 2 1 30 30 PHE CB C 13 39.08 0.3 . 1 . . . . 27 PHE CB . 25208 2 136 . 2 1 30 30 PHE N N 15 119.709 0.3 . 1 . . . . 27 PHE N . 25208 2 137 . 2 1 31 31 LYS H H 1 7.135 0.02 . 1 . . . . 28 LYS H . 25208 2 138 . 2 1 31 31 LYS C C 13 174.457 0.3 . 1 . . . . 28 LYS C . 25208 2 139 . 2 1 31 31 LYS CA C 13 55.164 0.3 . 1 . . . . 28 LYS CA . 25208 2 140 . 2 1 31 31 LYS CB C 13 39.08 0.3 . 1 . . . . 28 LYS CB . 25208 2 141 . 2 1 31 31 LYS N N 15 115.254 0.3 . 1 . . . . 28 LYS N . 25208 2 142 . 2 1 32 32 LEU H H 1 9.656 0.02 . 1 . . . . 29 LEU H . 25208 2 143 . 2 1 32 32 LEU C C 13 175.842 0.3 . 1 . . . . 29 LEU C . 25208 2 144 . 2 1 32 32 LEU CA C 13 52.535 0.3 . 1 . . . . 29 LEU CA . 25208 2 145 . 2 1 32 32 LEU CB C 13 43.436 0.3 . 1 . . . . 29 LEU CB . 25208 2 146 . 2 1 32 32 LEU N N 15 125.577 0.3 . 1 . . . . 29 LEU N . 25208 2 147 . 2 1 33 33 ASN H H 1 9.564 0.02 . 1 . . . . 30 ASN H . 25208 2 148 . 2 1 33 33 ASN C C 13 175.154 0.3 . 1 . . . . 30 ASN C . 25208 2 149 . 2 1 33 33 ASN CA C 13 50.66 0.3 . 1 . . . . 30 ASN CA . 25208 2 150 . 2 1 33 33 ASN CB C 13 37.29 0.3 . 1 . . . . 30 ASN CB . 25208 2 151 . 2 1 33 33 ASN N N 15 123.38 0.3 . 1 . . . . 30 ASN N . 25208 2 152 . 2 1 34 34 LYS H H 1 8.309 0.02 . 1 . . . . 31 LYS H . 25208 2 153 . 2 1 34 34 LYS C C 13 177.907 0.3 . 1 . . . . 31 LYS C . 25208 2 154 . 2 1 34 34 LYS CA C 13 61.157 0.3 . 1 . . . . 31 LYS CA . 25208 2 155 . 2 1 34 34 LYS CB C 13 31.735 0.3 . 1 . . . . 31 LYS CB . 25208 2 156 . 2 1 34 34 LYS N N 15 116.456 0.3 . 1 . . . . 31 LYS N . 25208 2 157 . 2 1 35 35 SER H H 1 7.663 0.02 . 1 . . . . 32 SER H . 25208 2 158 . 2 1 35 35 SER C C 13 177.578 0.3 . 1 . . . . 32 SER C . 25208 2 159 . 2 1 35 35 SER CA C 13 61.305 0.3 . 1 . . . . 32 SER CA . 25208 2 160 . 2 1 35 35 SER CB C 13 62.591 0.3 . 1 . . . . 32 SER CB . 25208 2 161 . 2 1 35 35 SER N N 15 114.508 0.3 . 1 . . . . 32 SER N . 25208 2 162 . 2 1 36 36 GLU H H 1 8.705 0.02 . 1 . . . . 33 GLU H . 25208 2 163 . 2 1 36 36 GLU C C 13 178.593 0.3 . 1 . . . . 33 GLU C . 25208 2 164 . 2 1 36 36 GLU CA C 13 58.941 0.3 . 1 . . . . 33 GLU CA . 25208 2 165 . 2 1 36 36 GLU CB C 13 30.876 0.3 . 1 . . . . 33 GLU CB . 25208 2 166 . 2 1 36 36 GLU N N 15 123.424 0.3 . 1 . . . . 33 GLU N . 25208 2 167 . 2 1 37 37 LEU H H 1 8.916 0.02 . 1 . . . . 34 LEU H . 25208 2 168 . 2 1 37 37 LEU C C 13 177.817 0.3 . 1 . . . . 34 LEU C . 25208 2 169 . 2 1 37 37 LEU CA C 13 57.908 0.3 . 1 . . . . 34 LEU CA . 25208 2 170 . 2 1 37 37 LEU CB C 13 41.638 0.3 . 1 . . . . 34 LEU CB . 25208 2 171 . 2 1 37 37 LEU N N 15 118.903 0.3 . 1 . . . . 34 LEU N . 25208 2 172 . 2 1 38 38 LYS H H 1 8.071 0.02 . 1 . . . . 35 LYS H . 25208 2 173 . 2 1 38 38 LYS C C 13 179.112 0.3 . 1 . . . . 35 LYS C . 25208 2 174 . 2 1 38 38 LYS CA C 13 60.151 0.3 . 1 . . . . 35 LYS CA . 25208 2 175 . 2 1 38 38 LYS CB C 13 31.644 0.3 . 1 . . . . 35 LYS CB . 25208 2 176 . 2 1 38 38 LYS N N 15 118.363 0.3 . 1 . . . . 35 LYS N . 25208 2 177 . 2 1 39 39 GLU H H 1 7.813 0.02 . 1 . . . . 36 GLU H . 25208 2 178 . 2 1 39 39 GLU C C 13 176.592 0.3 . 1 . . . . 36 GLU C . 25208 2 179 . 2 1 39 39 GLU CA C 13 59.903 0.3 . 1 . . . . 36 GLU CA . 25208 2 180 . 2 1 39 39 GLU CB C 13 29.217 0.3 . 1 . . . . 36 GLU CB . 25208 2 181 . 2 1 39 39 GLU N N 15 121.679 0.3 . 1 . . . . 36 GLU N . 25208 2 182 . 2 1 40 40 LEU H H 1 7.921 0.02 . 1 . . . . 37 LEU H . 25208 2 183 . 2 1 40 40 LEU C C 13 179.32 0.3 . 1 . . . . 37 LEU C . 25208 2 184 . 2 1 40 40 LEU CA C 13 59.42 0.3 . 1 . . . . 37 LEU CA . 25208 2 185 . 2 1 40 40 LEU CB C 13 41.874 0.3 . 1 . . . . 37 LEU CB . 25208 2 186 . 2 1 40 40 LEU N N 15 121.315 0.3 . 1 . . . . 37 LEU N . 25208 2 187 . 2 1 41 41 LEU H H 1 8.57 0.02 . 1 . . . . 38 LEU H . 25208 2 188 . 2 1 41 41 LEU C C 13 177.785 0.3 . 1 . . . . 38 LEU C . 25208 2 189 . 2 1 41 41 LEU CA C 13 59.158 0.3 . 1 . . . . 38 LEU CA . 25208 2 190 . 2 1 41 41 LEU CB C 13 42.601 0.3 . 1 . . . . 38 LEU CB . 25208 2 191 . 2 1 41 41 LEU N N 15 119.242 0.3 . 1 . . . . 38 LEU N . 25208 2 192 . 2 1 42 42 THR H H 1 7.9 0.02 . 1 . . . . 39 THR H . 25208 2 193 . 2 1 42 42 THR C C 13 176.189 0.3 . 1 . . . . 39 THR C . 25208 2 194 . 2 1 42 42 THR CA C 13 66.04 0.3 . 1 . . . . 39 THR CA . 25208 2 195 . 2 1 42 42 THR CB C 13 69.701 0.3 . 1 . . . . 39 THR CB . 25208 2 196 . 2 1 42 42 THR N N 15 108.83 0.3 . 1 . . . . 39 THR N . 25208 2 197 . 2 1 43 43 ARG H H 1 8.175 0.02 . 1 . . . . 40 ARG H . 25208 2 198 . 2 1 43 43 ARG C C 13 178.594 0.3 . 1 . . . . 40 ARG C . 25208 2 199 . 2 1 43 43 ARG CA C 13 57.54 0.3 . 1 . . . . 40 ARG CA . 25208 2 200 . 2 1 43 43 ARG CB C 13 31.41 0.3 . 1 . . . . 40 ARG CB . 25208 2 201 . 2 1 43 43 ARG N N 15 115.902 0.3 . 1 . . . . 40 ARG N . 25208 2 202 . 2 1 44 44 GLU H H 1 8.577 0.02 . 1 . . . . 41 GLU H . 25208 2 203 . 2 1 44 44 GLU C C 13 177.387 0.3 . 1 . . . . 41 GLU C . 25208 2 204 . 2 1 44 44 GLU CA C 13 54.84 0.3 . 1 . . . . 41 GLU CA . 25208 2 205 . 2 1 44 44 GLU CB C 13 29.655 0.3 . 1 . . . . 41 GLU CB . 25208 2 206 . 2 1 44 44 GLU N N 15 112.946 0.3 . 1 . . . . 41 GLU N . 25208 2 207 . 2 1 45 45 LEU H H 1 7.569 0.02 . 1 . . . . 42 LEU H . 25208 2 208 . 2 1 45 45 LEU C C 13 175.134 0.3 . 1 . . . . 42 LEU C . 25208 2 209 . 2 1 45 45 LEU CA C 13 52.901 0.3 . 1 . . . . 42 LEU CA . 25208 2 210 . 2 1 45 45 LEU CB C 13 43.953 0.3 . 1 . . . . 42 LEU CB . 25208 2 211 . 2 1 45 45 LEU N N 15 119.142 0.3 . 1 . . . . 42 LEU N . 25208 2 212 . 2 1 46 46 PRO C C 13 180.482 0.3 . 1 . . . . 43 PRO C . 25208 2 213 . 2 1 46 46 PRO CA C 13 65.9 0.3 . 1 . . . . 43 PRO CA . 25208 2 214 . 2 1 46 46 PRO CB C 13 30.88 0.3 . 1 . . . . 43 PRO CB . 25208 2 215 . 2 1 46 46 PRO N N 15 134.427 0.3 . 1 . . . . 43 PRO N . 25208 2 216 . 2 1 47 47 SER H H 1 9.766 0.02 . 1 . . . . 44 SER H . 25208 2 217 . 2 1 47 47 SER C C 13 174.731 0.3 . 1 . . . . 44 SER C . 25208 2 218 . 2 1 47 47 SER CA C 13 60.922 0.3 . 1 . . . . 44 SER CA . 25208 2 219 . 2 1 47 47 SER CB C 13 61.665 0.3 . 1 . . . . 44 SER CB . 25208 2 220 . 2 1 47 47 SER N N 15 116.845 0.3 . 1 . . . . 44 SER N . 25208 2 221 . 2 1 48 48 PHE H H 1 8.062 0.02 . 1 . . . . 45 PHE H . 25208 2 222 . 2 1 48 48 PHE C C 13 175.145 0.3 . 1 . . . . 45 PHE C . 25208 2 223 . 2 1 48 48 PHE CA C 13 57.596 0.3 . 1 . . . . 45 PHE CA . 25208 2 224 . 2 1 48 48 PHE CB C 13 39.076 0.3 . 1 . . . . 45 PHE CB . 25208 2 225 . 2 1 48 48 PHE N N 15 118.316 0.3 . 1 . . . . 45 PHE N . 25208 2 226 . 2 1 49 49 LEU H H 1 7.275 0.02 . 1 . . . . 46 LEU H . 25208 2 227 . 2 1 49 49 LEU C C 13 177.729 0.3 . 1 . . . . 46 LEU C . 25208 2 228 . 2 1 49 49 LEU CA C 13 54.643 0.3 . 1 . . . . 46 LEU CA . 25208 2 229 . 2 1 49 49 LEU CB C 13 42.672 0.3 . 1 . . . . 46 LEU CB . 25208 2 230 . 2 1 49 49 LEU N N 15 119.526 0.3 . 1 . . . . 46 LEU N . 25208 2 231 . 2 1 50 50 GLY H H 1 8.246 0.02 . 1 . . . . 47 GLY H . 25208 2 232 . 2 1 50 50 GLY C C 13 173.862 0.3 . 1 . . . . 47 GLY C . 25208 2 233 . 2 1 50 50 GLY CA C 13 44.649 0.3 . 1 . . . . 47 GLY CA . 25208 2 234 . 2 1 50 50 GLY N N 15 109.799 0.3 . 1 . . . . 47 GLY N . 25208 2 235 . 2 1 51 51 LYS H H 1 8.307 0.02 . 1 . . . . 48 LYS H . 25208 2 236 . 2 1 51 51 LYS C C 13 177.277 0.3 . 1 . . . . 48 LYS C . 25208 2 237 . 2 1 51 51 LYS CA C 13 57.036 0.3 . 1 . . . . 48 LYS CA . 25208 2 238 . 2 1 51 51 LYS CB C 13 32.827 0.3 . 1 . . . . 48 LYS CB . 25208 2 239 . 2 1 51 51 LYS N N 15 119.253 0.3 . 1 . . . . 48 LYS N . 25208 2 240 . 2 1 52 52 ARG H H 1 8.212 0.02 . 1 . . . . 49 ARG H . 25208 2 241 . 2 1 52 52 ARG C C 13 175.319 0.3 . 1 . . . . 49 ARG C . 25208 2 242 . 2 1 52 52 ARG CA C 13 55.356 0.3 . 1 . . . . 49 ARG CA . 25208 2 243 . 2 1 52 52 ARG CB C 13 29.428 0.3 . 1 . . . . 49 ARG CB . 25208 2 244 . 2 1 52 52 ARG N N 15 119.776 0.3 . 1 . . . . 49 ARG N . 25208 2 245 . 2 1 53 53 THR H H 1 8.001 0.02 . 1 . . . . 50 THR H . 25208 2 246 . 2 1 53 53 THR C C 13 173.664 0.3 . 1 . . . . 50 THR C . 25208 2 247 . 2 1 53 53 THR CA C 13 61.356 0.3 . 1 . . . . 50 THR CA . 25208 2 248 . 2 1 53 53 THR CB C 13 69.027 0.3 . 1 . . . . 50 THR CB . 25208 2 249 . 2 1 53 53 THR N N 15 114.234 0.3 . 1 . . . . 50 THR N . 25208 2 250 . 2 1 54 54 ASP H H 1 7.985 0.02 . 1 . . . . 51 ASP H . 25208 2 251 . 2 1 54 54 ASP C C 13 175.795 0.3 . 1 . . . . 51 ASP C . 25208 2 252 . 2 1 54 54 ASP CA C 13 52.783 0.3 . 1 . . . . 51 ASP CA . 25208 2 253 . 2 1 54 54 ASP CB C 13 41.843 0.3 . 1 . . . . 51 ASP CB . 25208 2 254 . 2 1 54 54 ASP N N 15 122.456 0.3 . 1 . . . . 51 ASP N . 25208 2 255 . 2 1 55 55 GLU H H 1 8.65 0.02 . 1 . . . . 52 GLU H . 25208 2 256 . 2 1 55 55 GLU C C 13 179.129 0.3 . 1 . . . . 52 GLU C . 25208 2 257 . 2 1 55 55 GLU CA C 13 59.547 0.3 . 1 . . . . 52 GLU CA . 25208 2 258 . 2 1 55 55 GLU CB C 13 29.234 0.3 . 1 . . . . 52 GLU CB . 25208 2 259 . 2 1 55 55 GLU N N 15 120.929 0.3 . 1 . . . . 52 GLU N . 25208 2 260 . 2 1 56 56 ALA H H 1 8.354 0.02 . 1 . . . . 53 ALA H . 25208 2 261 . 2 1 56 56 ALA C C 13 180.42 0.3 . 1 . . . . 53 ALA C . 25208 2 262 . 2 1 56 56 ALA CA C 13 55.053 0.3 . 1 . . . . 53 ALA CA . 25208 2 263 . 2 1 56 56 ALA CB C 13 17.687 0.3 . 1 . . . . 53 ALA CB . 25208 2 264 . 2 1 56 56 ALA N N 15 121.997 0.3 . 1 . . . . 53 ALA N . 25208 2 265 . 2 1 57 57 ALA H H 1 7.889 0.02 . 1 . . . . 54 ALA H . 25208 2 266 . 2 1 57 57 ALA C C 13 180.057 0.3 . 1 . . . . 54 ALA C . 25208 2 267 . 2 1 57 57 ALA CA C 13 54.914 0.3 . 1 . . . . 54 ALA CA . 25208 2 268 . 2 1 57 57 ALA CB C 13 18.287 0.3 . 1 . . . . 54 ALA CB . 25208 2 269 . 2 1 57 57 ALA N N 15 122.649 0.3 . 1 . . . . 54 ALA N . 25208 2 270 . 2 1 58 58 PHE H H 1 7.883 0.02 . 1 . . . . 55 PHE H . 25208 2 271 . 2 1 58 58 PHE C C 13 177.385 0.3 . 1 . . . . 55 PHE C . 25208 2 272 . 2 1 58 58 PHE CA C 13 61.81 0.3 . 1 . . . . 55 PHE CA . 25208 2 273 . 2 1 58 58 PHE CB C 13 38.762 0.3 . 1 . . . . 55 PHE CB . 25208 2 274 . 2 1 58 58 PHE N N 15 117.352 0.3 . 1 . . . . 55 PHE N . 25208 2 275 . 2 1 59 59 GLN H H 1 8.252 0.02 . 1 . . . . 56 GLN H . 25208 2 276 . 2 1 59 59 GLN C C 13 178.249 0.3 . 1 . . . . 56 GLN C . 25208 2 277 . 2 1 59 59 GLN CA C 13 58.701 0.3 . 1 . . . . 56 GLN CA . 25208 2 278 . 2 1 59 59 GLN CB C 13 27.793 0.3 . 1 . . . . 56 GLN CB . 25208 2 279 . 2 1 59 59 GLN N N 15 119.088 0.3 . 1 . . . . 56 GLN N . 25208 2 280 . 2 1 60 60 LYS H H 1 7.847 0.02 . 1 . . . . 57 LYS H . 25208 2 281 . 2 1 60 60 LYS C C 13 177.949 0.3 . 1 . . . . 57 LYS C . 25208 2 282 . 2 1 60 60 LYS CA C 13 58.718 0.3 . 1 . . . . 57 LYS CA . 25208 2 283 . 2 1 60 60 LYS CB C 13 31.658 0.3 . 1 . . . . 57 LYS CB . 25208 2 284 . 2 1 60 60 LYS N N 15 121.309 0.3 . 1 . . . . 57 LYS N . 25208 2 285 . 2 1 61 61 LEU H H 1 7.9 0.02 . 1 . . . . 58 LEU H . 25208 2 286 . 2 1 61 61 LEU C C 13 177.704 0.3 . 1 . . . . 58 LEU C . 25208 2 287 . 2 1 61 61 LEU CA C 13 58.491 0.3 . 1 . . . . 58 LEU CA . 25208 2 288 . 2 1 61 61 LEU CB C 13 41.425 0.3 . 1 . . . . 58 LEU CB . 25208 2 289 . 2 1 61 61 LEU N N 15 119.548 0.3 . 1 . . . . 58 LEU N . 25208 2 290 . 2 1 62 62 MET H H 1 7.965 0.02 . 1 . . . . 59 MET H . 25208 2 291 . 2 1 62 62 MET C C 13 177.469 0.3 . 1 . . . . 59 MET C . 25208 2 292 . 2 1 62 62 MET CA C 13 58.171 0.3 . 1 . . . . 59 MET CA . 25208 2 293 . 2 1 62 62 MET CB C 13 30.494 0.3 . 1 . . . . 59 MET CB . 25208 2 294 . 2 1 62 62 MET N N 15 116.28 0.3 . 1 . . . . 59 MET N . 25208 2 295 . 2 1 63 63 SER H H 1 8.107 0.02 . 1 . . . . 60 SER H . 25208 2 296 . 2 1 63 63 SER C C 13 177.216 0.3 . 1 . . . . 60 SER C . 25208 2 297 . 2 1 63 63 SER CA C 13 61.543 0.3 . 1 . . . . 60 SER CA . 25208 2 298 . 2 1 63 63 SER CB C 13 62.694 0.3 . 1 . . . . 60 SER CB . 25208 2 299 . 2 1 63 63 SER N N 15 112.393 0.3 . 1 . . . . 60 SER N . 25208 2 300 . 2 1 64 64 ASN H H 1 8.266 0.02 . 1 . . . . 61 ASN H . 25208 2 301 . 2 1 64 64 ASN C C 13 177.231 0.3 . 1 . . . . 61 ASN C . 25208 2 302 . 2 1 64 64 ASN CA C 13 54.774 0.3 . 1 . . . . 61 ASN CA . 25208 2 303 . 2 1 64 64 ASN CB C 13 36.787 0.3 . 1 . . . . 61 ASN CB . 25208 2 304 . 2 1 64 64 ASN N N 15 119.797 0.3 . 1 . . . . 61 ASN N . 25208 2 305 . 2 1 65 65 LEU H H 1 7.691 0.02 . 1 . . . . 62 LEU H . 25208 2 306 . 2 1 65 65 LEU C C 13 178.565 0.3 . 1 . . . . 62 LEU C . 25208 2 307 . 2 1 65 65 LEU CA C 13 54.938 0.3 . 1 . . . . 62 LEU CA . 25208 2 308 . 2 1 65 65 LEU CB C 13 44.122 0.3 . 1 . . . . 62 LEU CB . 25208 2 309 . 2 1 65 65 LEU N N 15 114.513 0.3 . 1 . . . . 62 LEU N . 25208 2 310 . 2 1 66 66 ASP H H 1 7.827 0.02 . 1 . . . . 63 ASP H . 25208 2 311 . 2 1 66 66 ASP C C 13 176.92 0.3 . 1 . . . . 63 ASP C . 25208 2 312 . 2 1 66 66 ASP CA C 13 52.907 0.3 . 1 . . . . 63 ASP CA . 25208 2 313 . 2 1 66 66 ASP CB C 13 39.074 0.3 . 1 . . . . 63 ASP CB . 25208 2 314 . 2 1 66 66 ASP N N 15 117.529 0.3 . 1 . . . . 63 ASP N . 25208 2 315 . 2 1 67 67 SER H H 1 8.157 0.02 . 1 . . . . 64 SER H . 25208 2 316 . 2 1 67 67 SER C C 13 175.563 0.3 . 1 . . . . 64 SER C . 25208 2 317 . 2 1 67 67 SER CA C 13 61.411 0.3 . 1 . . . . 64 SER CA . 25208 2 318 . 2 1 67 67 SER CB C 13 63.95 0.3 . 1 . . . . 64 SER CB . 25208 2 319 . 2 1 67 67 SER N N 15 124.024 0.3 . 1 . . . . 64 SER N . 25208 2 320 . 2 1 68 68 ASN H H 1 7.963 0.02 . 1 . . . . 65 ASN H . 25208 2 321 . 2 1 68 68 ASN C C 13 174.676 0.3 . 1 . . . . 65 ASN C . 25208 2 322 . 2 1 68 68 ASN CA C 13 51.748 0.3 . 1 . . . . 65 ASN CA . 25208 2 323 . 2 1 68 68 ASN CB C 13 37.232 0.3 . 1 . . . . 65 ASN CB . 25208 2 324 . 2 1 68 68 ASN N N 15 115.088 0.3 . 1 . . . . 65 ASN N . 25208 2 325 . 2 1 69 69 ARG H H 1 7.745 0.02 . 1 . . . . 66 ARG H . 25208 2 326 . 2 1 69 69 ARG C C 13 175.523 0.3 . 1 . . . . 66 ARG C . 25208 2 327 . 2 1 69 69 ARG CA C 13 56.919 0.3 . 1 . . . . 66 ARG CA . 25208 2 328 . 2 1 69 69 ARG CB C 13 26.388 0.3 . 1 . . . . 66 ARG CB . 25208 2 329 . 2 1 69 69 ARG N N 15 115.647 0.3 . 1 . . . . 66 ARG N . 25208 2 330 . 2 1 70 70 ASP H H 1 8.57 0.02 . 1 . . . . 67 ASP H . 25208 2 331 . 2 1 70 70 ASP C C 13 177.18 0.3 . 1 . . . . 67 ASP C . 25208 2 332 . 2 1 70 70 ASP CA C 13 52.828 0.3 . 1 . . . . 67 ASP CA . 25208 2 333 . 2 1 70 70 ASP CB C 13 40.541 0.3 . 1 . . . . 67 ASP CB . 25208 2 334 . 2 1 70 70 ASP N N 15 119.281 0.3 . 1 . . . . 67 ASP N . 25208 2 335 . 2 1 71 71 ASN H H 1 10.249 0.02 . 1 . . . . 68 ASN H . 25208 2 336 . 2 1 71 71 ASN C C 13 173.176 0.3 . 1 . . . . 68 ASN C . 25208 2 337 . 2 1 71 71 ASN CA C 13 55.215 0.3 . 1 . . . . 68 ASN CA . 25208 2 338 . 2 1 71 71 ASN CB C 13 37.874 0.3 . 1 . . . . 68 ASN CB . 25208 2 339 . 2 1 71 71 ASN N N 15 116.584 0.3 . 1 . . . . 68 ASN N . 25208 2 340 . 2 1 72 72 GLU H H 1 7.793 0.02 . 1 . . . . 69 GLU H . 25208 2 341 . 2 1 72 72 GLU C C 13 175.27 0.3 . 1 . . . . 69 GLU C . 25208 2 342 . 2 1 72 72 GLU CA C 13 54.854 0.3 . 1 . . . . 69 GLU CA . 25208 2 343 . 2 1 72 72 GLU CB C 13 35.469 0.3 . 1 . . . . 69 GLU CB . 25208 2 344 . 2 1 72 72 GLU N N 15 116.129 0.3 . 1 . . . . 69 GLU N . 25208 2 345 . 2 1 73 73 VAL H H 1 9.953 0.02 . 1 . . . . 70 VAL H . 25208 2 346 . 2 1 73 73 VAL C C 13 175.943 0.3 . 1 . . . . 70 VAL C . 25208 2 347 . 2 1 73 73 VAL CA C 13 61.283 0.3 . 1 . . . . 70 VAL CA . 25208 2 348 . 2 1 73 73 VAL CB C 13 33.288 0.3 . 1 . . . . 70 VAL CB . 25208 2 349 . 2 1 73 73 VAL N N 15 126.163 0.3 . 1 . . . . 70 VAL N . 25208 2 350 . 2 1 74 74 ASP H H 1 9.332 0.02 . 1 . . . . 71 ASP H . 25208 2 351 . 2 1 74 74 ASP C C 13 175.023 0.3 . 1 . . . . 71 ASP C . 25208 2 352 . 2 1 74 74 ASP CA C 13 52.337 0.3 . 1 . . . . 71 ASP CA . 25208 2 353 . 2 1 74 74 ASP CB C 13 41.629 0.3 . 1 . . . . 71 ASP CB . 25208 2 354 . 2 1 74 74 ASP N N 15 128.783 0.3 . 1 . . . . 71 ASP N . 25208 2 355 . 2 1 75 75 PHE H H 1 8.964 0.02 . 1 . . . . 72 PHE H . 25208 2 356 . 2 1 75 75 PHE C C 13 177.305 0.3 . 1 . . . . 72 PHE C . 25208 2 357 . 2 1 75 75 PHE CA C 13 62.918 0.3 . 1 . . . . 72 PHE CA . 25208 2 358 . 2 1 75 75 PHE CB C 13 39.088 0.3 . 1 . . . . 72 PHE CB . 25208 2 359 . 2 1 75 75 PHE N N 15 118.452 0.3 . 1 . . . . 72 PHE N . 25208 2 360 . 2 1 76 76 GLN H H 1 8.263 0.02 . 1 . . . . 73 GLN H . 25208 2 361 . 2 1 76 76 GLN C C 13 177.979 0.3 . 1 . . . . 73 GLN C . 25208 2 362 . 2 1 76 76 GLN CA C 13 60.657 0.3 . 1 . . . . 73 GLN CA . 25208 2 363 . 2 1 76 76 GLN CB C 13 28.023 0.3 . 1 . . . . 73 GLN CB . 25208 2 364 . 2 1 76 76 GLN N N 15 121.036 0.3 . 1 . . . . 73 GLN N . 25208 2 365 . 2 1 77 77 GLU H H 1 8.871 0.02 . 1 . . . . 74 GLU H . 25208 2 366 . 2 1 77 77 GLU C C 13 180.741 0.3 . 1 . . . . 74 GLU C . 25208 2 367 . 2 1 77 77 GLU CA C 13 59.153 0.3 . 1 . . . . 74 GLU CA . 25208 2 368 . 2 1 77 77 GLU CB C 13 30.434 0.3 . 1 . . . . 74 GLU CB . 25208 2 369 . 2 1 77 77 GLU N N 15 119.859 0.3 . 1 . . . . 74 GLU N . 25208 2 370 . 2 1 78 78 TYR H H 1 8.761 0.02 . 1 . . . . 75 TYR H . 25208 2 371 . 2 1 78 78 TYR C C 13 175.915 0.3 . 1 . . . . 75 TYR C . 25208 2 372 . 2 1 78 78 TYR CA C 13 60.616 0.3 . 1 . . . . 75 TYR CA . 25208 2 373 . 2 1 78 78 TYR CB C 13 38.355 0.3 . 1 . . . . 75 TYR CB . 25208 2 374 . 2 1 78 78 TYR N N 15 123.174 0.3 . 1 . . . . 75 TYR N . 25208 2 375 . 2 1 79 79 CYS H H 1 8.342 0.02 . 1 . . . . 76 CYS H . 25208 2 376 . 2 1 79 79 CYS C C 13 178.073 0.3 . 1 . . . . 76 CYS C . 25208 2 377 . 2 1 79 79 CYS CA C 13 65.106 0.3 . 1 . . . . 76 CYS CA . 25208 2 378 . 2 1 79 79 CYS CB C 13 25.671 0.3 . 1 . . . . 76 CYS CB . 25208 2 379 . 2 1 79 79 CYS N N 15 121.305 0.3 . 1 . . . . 76 CYS N . 25208 2 380 . 2 1 80 80 VAL H H 1 8.351 0.02 . 1 . . . . 77 VAL H . 25208 2 381 . 2 1 80 80 VAL C C 13 177.676 0.3 . 1 . . . . 77 VAL C . 25208 2 382 . 2 1 80 80 VAL CA C 13 67.061 0.3 . 1 . . . . 77 VAL CA . 25208 2 383 . 2 1 80 80 VAL CB C 13 31.65 0.3 . 1 . . . . 77 VAL CB . 25208 2 384 . 2 1 80 80 VAL N N 15 122.802 0.3 . 1 . . . . 77 VAL N . 25208 2 385 . 2 1 81 81 PHE H H 1 7.63 0.02 . 1 . . . . 78 PHE H . 25208 2 386 . 2 1 81 81 PHE C C 13 176.435 0.3 . 1 . . . . 78 PHE C . 25208 2 387 . 2 1 81 81 PHE CA C 13 59.55 0.3 . 1 . . . . 78 PHE CA . 25208 2 388 . 2 1 81 81 PHE CB C 13 38.395 0.3 . 1 . . . . 78 PHE CB . 25208 2 389 . 2 1 81 81 PHE N N 15 119.34 0.3 . 1 . . . . 78 PHE N . 25208 2 390 . 2 1 82 82 LEU H H 1 8.557 0.02 . 1 . . . . 79 LEU H . 25208 2 391 . 2 1 82 82 LEU C C 13 178.999 0.3 . 1 . . . . 79 LEU C . 25208 2 392 . 2 1 82 82 LEU CA C 13 57.66 0.3 . 1 . . . . 79 LEU CA . 25208 2 393 . 2 1 82 82 LEU CB C 13 40.553 0.3 . 1 . . . . 79 LEU CB . 25208 2 394 . 2 1 82 82 LEU N N 15 118.901 0.3 . 1 . . . . 79 LEU N . 25208 2 395 . 2 1 83 83 SER H H 1 8.143 0.02 . 1 . . . . 80 SER H . 25208 2 396 . 2 1 83 83 SER C C 13 174.903 0.3 . 1 . . . . 80 SER C . 25208 2 397 . 2 1 83 83 SER CA C 13 63.873 0.3 . 1 . . . . 80 SER CA . 25208 2 398 . 2 1 83 83 SER CB C 13 62.938 0.3 . 1 . . . . 80 SER CB . 25208 2 399 . 2 1 83 83 SER N N 15 114.813 0.3 . 1 . . . . 80 SER N . 25208 2 400 . 2 1 84 84 CYS H H 1 7.539 0.02 . 1 . . . . 81 CYS H . 25208 2 401 . 2 1 84 84 CYS C C 13 177.569 0.3 . 1 . . . . 81 CYS C . 25208 2 402 . 2 1 84 84 CYS CA C 13 64.407 0.3 . 1 . . . . 81 CYS CA . 25208 2 403 . 2 1 84 84 CYS CB C 13 26.903 0.3 . 1 . . . . 81 CYS CB . 25208 2 404 . 2 1 84 84 CYS N N 15 118.542 0.3 . 1 . . . . 81 CYS N . 25208 2 405 . 2 1 85 85 ILE H H 1 7.939 0.02 . 1 . . . . 82 ILE H . 25208 2 406 . 2 1 85 85 ILE C C 13 178.335 0.3 . 1 . . . . 82 ILE C . 25208 2 407 . 2 1 85 85 ILE CA C 13 64.196 0.3 . 1 . . . . 82 ILE CA . 25208 2 408 . 2 1 85 85 ILE CB C 13 35.639 0.3 . 1 . . . . 82 ILE CB . 25208 2 409 . 2 1 85 85 ILE N N 15 120.58 0.3 . 1 . . . . 82 ILE N . 25208 2 410 . 2 1 86 86 ALA H H 1 8.62 0.02 . 1 . . . . 83 ALA H . 25208 2 411 . 2 1 86 86 ALA C C 13 180.021 0.3 . 1 . . . . 83 ALA C . 25208 2 412 . 2 1 86 86 ALA CA C 13 56.288 0.3 . 1 . . . . 83 ALA CA . 25208 2 413 . 2 1 86 86 ALA CB C 13 17.356 0.3 . 1 . . . . 83 ALA CB . 25208 2 414 . 2 1 86 86 ALA N N 15 123.971 0.3 . 1 . . . . 83 ALA N . 25208 2 415 . 2 1 87 87 MET H H 1 8.407 0.02 . 1 . . . . 84 MET H . 25208 2 416 . 2 1 87 87 MET C C 13 179.469 0.3 . 1 . . . . 84 MET C . 25208 2 417 . 2 1 87 87 MET CA C 13 60.057 0.3 . 1 . . . . 84 MET CA . 25208 2 418 . 2 1 87 87 MET CB C 13 33.623 0.3 . 1 . . . . 84 MET CB . 25208 2 419 . 2 1 87 87 MET N N 15 115.481 0.3 . 1 . . . . 84 MET N . 25208 2 420 . 2 1 88 88 MET H H 1 8.087 0.02 . 1 . . . . 85 MET H . 25208 2 421 . 2 1 88 88 MET C C 13 178.597 0.3 . 1 . . . . 85 MET C . 25208 2 422 . 2 1 88 88 MET CA C 13 59.219 0.3 . 1 . . . . 85 MET CA . 25208 2 423 . 2 1 88 88 MET CB C 13 33.2 0.3 . 1 . . . . 85 MET CB . 25208 2 424 . 2 1 88 88 MET N N 15 119.471 0.3 . 1 . . . . 85 MET N . 25208 2 425 . 2 1 89 89 CYS H H 1 8.051 0.02 . 1 . . . . 86 CYS H . 25208 2 426 . 2 1 89 89 CYS C C 13 174.445 0.3 . 1 . . . . 86 CYS C . 25208 2 427 . 2 1 89 89 CYS CA C 13 62.047 0.3 . 1 . . . . 86 CYS CA . 25208 2 428 . 2 1 89 89 CYS CB C 13 27.353 0.3 . 1 . . . . 86 CYS CB . 25208 2 429 . 2 1 89 89 CYS N N 15 117.012 0.3 . 1 . . . . 86 CYS N . 25208 2 430 . 2 1 90 90 ASN H H 1 7.529 0.02 . 1 . . . . 87 ASN H . 25208 2 431 . 2 1 90 90 ASN C C 13 173.607 0.3 . 1 . . . . 87 ASN C . 25208 2 432 . 2 1 90 90 ASN CA C 13 53.404 0.3 . 1 . . . . 87 ASN CA . 25208 2 433 . 2 1 90 90 ASN CB C 13 40.497 0.3 . 1 . . . . 87 ASN CB . 25208 2 434 . 2 1 90 90 ASN N N 15 117.329 0.3 . 1 . . . . 87 ASN N . 25208 2 435 . 2 1 91 91 GLU H H 1 7.155 0.02 . 1 . . . . 88 GLU H . 25208 2 436 . 2 1 91 91 GLU C C 13 180.826 0.3 . 1 . . . . 88 GLU C . 25208 2 437 . 2 1 91 91 GLU CA C 13 58.162 0.3 . 1 . . . . 88 GLU CA . 25208 2 438 . 2 1 91 91 GLU CB C 13 30.887 0.3 . 1 . . . . 88 GLU CB . 25208 2 439 . 2 1 91 91 GLU N N 15 123.799 0.3 . 1 . . . . 88 GLU N . 25208 2 stop_ save_