data_11293 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11293 _Entry.Title ; Solution structure of the LIM domain of human Cysteine-rich protein 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-09 _Entry.Accession_date 2010-08-09 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Yoneyama . . . 11293 2 A. Sasagawa . . . 11293 3 T. Tomizawa . . . 11293 4 N. Tochio . . . 11293 5 S. Koshiba . . . 11293 6 M. Inoue . . . 11293 7 T. Kigawa . . . 11293 8 S. Yokoyama . . . 11293 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11293 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11293 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 300 11293 '15N chemical shifts' 62 11293 '1H chemical shifts' 443 11293 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-19 2010-08-09 original author . 11293 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CU8 'BMRB Entry Tracking System' 11293 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11293 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the LIM domain of human Cysteine-rich protein 2' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Yoneyama . . . 11293 1 2 A. Sasagawa . . . 11293 1 3 T. Tomizawa . . . 11293 1 4 N. Tochio . . . 11293 1 5 S. Koshiba . . . 11293 1 6 M. Inoue . . . 11293 1 7 T. Kigawa . . . 11293 1 8 S. Yokoyama . . . 11293 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11293 _Assembly.ID 1 _Assembly.Name 'Cysteine-rich protein 2' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'LIM domain' 1 $entity_1 A . yes native no no . . . 11293 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11293 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11293 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 'LIM domain' 1 CYS 12 12 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 12 CYS SG . . . . ZN 11293 1 2 coordination single . 1 'LIM domain' 1 CYS 15 15 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 15 CYS SG . . . . ZN 11293 1 3 coordination single . 1 'LIM domain' 1 HIS 33 33 ND1 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 33 HIS ND1 . . . . ZN 11293 1 4 coordination single . 1 'LIM domain' 1 CYS 36 36 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 36 CYS SG . . . . ZN 11293 1 5 coordination single . 1 'LIM domain' 1 CYS 39 39 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 39 CYS SG . . . . ZN 11293 1 6 coordination single . 1 'LIM domain' 1 CYS 42 42 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 42 CYS SG . . . . ZN 11293 1 7 coordination single . 1 'LIM domain' 1 CYS 60 60 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 60 CYS SG . . . . ZN 11293 1 8 coordination single . 1 'LIM domain' 1 CYS 64 64 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 64 CYS SG . . . . ZN 11293 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 CYS 60 60 HG . 60 CYS HG 11293 1 . . 1 1 CYS 64 64 HG . 64 CYS HG 11293 1 . . 1 1 CYS 39 39 HG . 39 CYS HG 11293 1 . . 1 1 CYS 42 42 HG . 42 CYS HG 11293 1 . . 1 1 HIS 33 33 HD1 . 33 HIS HD1 11293 1 . . 1 1 CYS 36 36 HG . 36 CYS HG 11293 1 . . 1 1 CYS 12 12 HG . 12 CYS HG 11293 1 . . 1 1 CYS 15 15 HG . 15 CYS HG 11293 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2cu8 . . . . . . 11293 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11293 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'LIM domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGMASKCPKCDKTVY FAEKVSSLGKDWHKFCLKCE RCSKTLTPGGHAEHDGKPFC HKPCYATLFGSGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2CU8 . "Solution Structure Of The Lim Domain Of Human Cysteine-Rich Protein 2" . . . . . 100.00 76 100.00 100.00 1.10e-45 . . . . 11293 1 2 no DBJ BAH13206 . "unnamed protein product [Homo sapiens]" . . . . . 64.47 282 100.00 100.00 1.76e-25 . . . . 11293 1 3 no GB EDL18559 . "cysteine rich protein 2, isoform CRA_a, partial [Mus musculus]" . . . . . 64.47 209 97.96 100.00 1.91e-25 . . . . 11293 1 4 no GB EDL97393 . "rCG27687, isoform CRA_a [Rattus norvegicus]" . . . . . 73.68 134 98.21 100.00 3.57e-31 . . . . 11293 1 5 no GB EDL97397 . "rCG27687, isoform CRA_d [Rattus norvegicus]" . . . . . 82.89 103 98.41 100.00 8.68e-38 . . . . 11293 1 6 no GB EFB24298 . "hypothetical protein PANDA_019001, partial [Ailuropoda melanoleuca]" . . . . . 64.47 194 100.00 100.00 7.62e-26 . . . . 11293 1 7 no GB EGV94916 . "Cysteine-rich protein 2 [Cricetulus griseus]" . . . . . 64.47 212 97.96 100.00 1.52e-25 . . . . 11293 1 8 no REF NP_001257766 . "cysteine-rich protein 2 isoform 2 [Homo sapiens]" . . . . . 64.47 282 100.00 100.00 1.76e-25 . . . . 11293 1 9 no REF XP_002189362 . "PREDICTED: cysteine-rich protein 2 [Taeniopygia guttata]" . . . . . 64.47 198 97.96 100.00 1.35e-25 . . . . 11293 1 10 no REF XP_002808516 . "PREDICTED: LOW QUALITY PROTEIN: cysteine-rich protein 2-like [Macaca mulatta]" . . . . . 64.47 281 100.00 100.00 2.45e-25 . . . . 11293 1 11 no REF XP_002928938 . "PREDICTED: cysteine-rich protein 2 [Ailuropoda melanoleuca]" . . . . . 64.47 223 100.00 100.00 1.79e-25 . . . . 11293 1 12 no REF XP_004055856 . "PREDICTED: uncharacterized protein LOC101137811, partial [Gorilla gorilla gorilla]" . . . . . 63.16 456 100.00 100.00 5.04e-24 . . . . 11293 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'LIM domain' . 11293 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 11293 1 2 . SER . 11293 1 3 . SER . 11293 1 4 . GLY . 11293 1 5 . SER . 11293 1 6 . SER . 11293 1 7 . GLY . 11293 1 8 . MET . 11293 1 9 . ALA . 11293 1 10 . SER . 11293 1 11 . LYS . 11293 1 12 . CYS . 11293 1 13 . PRO . 11293 1 14 . LYS . 11293 1 15 . CYS . 11293 1 16 . ASP . 11293 1 17 . LYS . 11293 1 18 . THR . 11293 1 19 . VAL . 11293 1 20 . TYR . 11293 1 21 . PHE . 11293 1 22 . ALA . 11293 1 23 . GLU . 11293 1 24 . LYS . 11293 1 25 . VAL . 11293 1 26 . SER . 11293 1 27 . SER . 11293 1 28 . LEU . 11293 1 29 . GLY . 11293 1 30 . LYS . 11293 1 31 . ASP . 11293 1 32 . TRP . 11293 1 33 . HIS . 11293 1 34 . LYS . 11293 1 35 . PHE . 11293 1 36 . CYS . 11293 1 37 . LEU . 11293 1 38 . LYS . 11293 1 39 . CYS . 11293 1 40 . GLU . 11293 1 41 . ARG . 11293 1 42 . CYS . 11293 1 43 . SER . 11293 1 44 . LYS . 11293 1 45 . THR . 11293 1 46 . LEU . 11293 1 47 . THR . 11293 1 48 . PRO . 11293 1 49 . GLY . 11293 1 50 . GLY . 11293 1 51 . HIS . 11293 1 52 . ALA . 11293 1 53 . GLU . 11293 1 54 . HIS . 11293 1 55 . ASP . 11293 1 56 . GLY . 11293 1 57 . LYS . 11293 1 58 . PRO . 11293 1 59 . PHE . 11293 1 60 . CYS . 11293 1 61 . HIS . 11293 1 62 . LYS . 11293 1 63 . PRO . 11293 1 64 . CYS . 11293 1 65 . TYR . 11293 1 66 . ALA . 11293 1 67 . THR . 11293 1 68 . LEU . 11293 1 69 . PHE . 11293 1 70 . GLY . 11293 1 71 . SER . 11293 1 72 . GLY . 11293 1 73 . PRO . 11293 1 74 . SER . 11293 1 75 . SER . 11293 1 76 . GLY . 11293 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 11293 1 . SER 2 2 11293 1 . SER 3 3 11293 1 . GLY 4 4 11293 1 . SER 5 5 11293 1 . SER 6 6 11293 1 . GLY 7 7 11293 1 . MET 8 8 11293 1 . ALA 9 9 11293 1 . SER 10 10 11293 1 . LYS 11 11 11293 1 . CYS 12 12 11293 1 . PRO 13 13 11293 1 . LYS 14 14 11293 1 . CYS 15 15 11293 1 . ASP 16 16 11293 1 . LYS 17 17 11293 1 . THR 18 18 11293 1 . VAL 19 19 11293 1 . TYR 20 20 11293 1 . PHE 21 21 11293 1 . ALA 22 22 11293 1 . GLU 23 23 11293 1 . LYS 24 24 11293 1 . VAL 25 25 11293 1 . SER 26 26 11293 1 . SER 27 27 11293 1 . LEU 28 28 11293 1 . GLY 29 29 11293 1 . LYS 30 30 11293 1 . ASP 31 31 11293 1 . TRP 32 32 11293 1 . HIS 33 33 11293 1 . LYS 34 34 11293 1 . PHE 35 35 11293 1 . CYS 36 36 11293 1 . LEU 37 37 11293 1 . LYS 38 38 11293 1 . CYS 39 39 11293 1 . GLU 40 40 11293 1 . ARG 41 41 11293 1 . CYS 42 42 11293 1 . SER 43 43 11293 1 . LYS 44 44 11293 1 . THR 45 45 11293 1 . LEU 46 46 11293 1 . THR 47 47 11293 1 . PRO 48 48 11293 1 . GLY 49 49 11293 1 . GLY 50 50 11293 1 . HIS 51 51 11293 1 . ALA 52 52 11293 1 . GLU 53 53 11293 1 . HIS 54 54 11293 1 . ASP 55 55 11293 1 . GLY 56 56 11293 1 . LYS 57 57 11293 1 . PRO 58 58 11293 1 . PHE 59 59 11293 1 . CYS 60 60 11293 1 . HIS 61 61 11293 1 . LYS 62 62 11293 1 . PRO 63 63 11293 1 . CYS 64 64 11293 1 . TYR 65 65 11293 1 . ALA 66 66 11293 1 . THR 67 67 11293 1 . LEU 68 68 11293 1 . PHE 69 69 11293 1 . GLY 70 70 11293 1 . SER 71 71 11293 1 . GLY 72 72 11293 1 . PRO 73 73 11293 1 . SER 74 74 11293 1 . SER 75 75 11293 1 . GLY 76 76 11293 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11293 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 11293 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 11293 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11293 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 11293 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P040614-03 . . . . . . 11293 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 11293 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 InChI InChI 1.02b 11293 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11293 ZN [Zn++] SMILES CACTVS 3.341 11293 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11293 ZN [Zn+2] SMILES ACDLabs 10.04 11293 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11293 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11293 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 11293 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11293 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 11293 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11293 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.44mM LIM domain U-15N, {13C;} 20mM d-Tris-HCl {(pH7.0);} 100mM {NaCl;} 2mM {d-DTT;} 0.02% {NaN3;} 0.01mM {ZnCl2;} 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'LIM domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.44 . . mM . . . . 11293 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11293 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11293 1 4 d-DTT 'natural abundance' . . . . . salt 2 . . mM . . . . 11293 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11293 1 6 ZnCl2 'natural abundance' . . . . . salt 0.01 . . mM . . . . 11293 1 7 H2O . . . . . . solvent 90 . . % . . . . 11293 1 8 D2O . . . . . . solvent 10 . . % . . . . 11293 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11293 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 11293 1 pH 7.0 0.05 pH 11293 1 pressure 1 0.001 atm 11293 1 temperature 298 0.1 K 11293 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11293 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11293 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11293 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11293 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11293 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11293 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11293 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B. A.' . . 11293 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11293 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11293 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11293 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11293 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11293 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11293 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11293 5 'structure solution' 11293 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11293 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11293 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 600 . . . 11293 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 11293 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11293 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11293 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11293 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11293 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11293 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11293 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11293 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11293 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11293 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11293 1 2 $NMRPipe . . 11293 1 3 $NMRview . . 11293 1 4 $Kujira . . 11293 1 5 $CYANA . . 11293 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY HA2 H 1 3.920 0.030 . 1 . . . . 7 GLY HA2 . 11293 1 2 . 1 1 7 7 GLY HA3 H 1 3.920 0.030 . 1 . . . . 7 GLY HA3 . 11293 1 3 . 1 1 7 7 GLY C C 13 174.070 0.300 . 1 . . . . 7 GLY C . 11293 1 4 . 1 1 7 7 GLY CA C 13 45.388 0.300 . 1 . . . . 7 GLY CA . 11293 1 5 . 1 1 8 8 MET H H 1 8.131 0.030 . 1 . . . . 8 MET H . 11293 1 6 . 1 1 8 8 MET HA H 1 4.434 0.030 . 1 . . . . 8 MET HA . 11293 1 7 . 1 1 8 8 MET HB2 H 1 2.054 0.030 . 2 . . . . 8 MET HB2 . 11293 1 8 . 1 1 8 8 MET HB3 H 1 1.956 0.030 . 2 . . . . 8 MET HB3 . 11293 1 9 . 1 1 8 8 MET HE1 H 1 2.047 0.030 . 1 . . . . 8 MET HE . 11293 1 10 . 1 1 8 8 MET HE2 H 1 2.047 0.030 . 1 . . . . 8 MET HE . 11293 1 11 . 1 1 8 8 MET HE3 H 1 2.047 0.030 . 1 . . . . 8 MET HE . 11293 1 12 . 1 1 8 8 MET HG2 H 1 2.557 0.030 . 2 . . . . 8 MET HG2 . 11293 1 13 . 1 1 8 8 MET HG3 H 1 2.480 0.030 . 2 . . . . 8 MET HG3 . 11293 1 14 . 1 1 8 8 MET C C 13 175.697 0.300 . 1 . . . . 8 MET C . 11293 1 15 . 1 1 8 8 MET CA C 13 55.399 0.300 . 1 . . . . 8 MET CA . 11293 1 16 . 1 1 8 8 MET CB C 13 33.029 0.300 . 1 . . . . 8 MET CB . 11293 1 17 . 1 1 8 8 MET CE C 13 16.943 0.300 . 1 . . . . 8 MET CE . 11293 1 18 . 1 1 8 8 MET CG C 13 31.958 0.300 . 1 . . . . 8 MET CG . 11293 1 19 . 1 1 8 8 MET N N 15 119.876 0.300 . 1 . . . . 8 MET N . 11293 1 20 . 1 1 9 9 ALA H H 1 8.258 0.030 . 1 . . . . 9 ALA H . 11293 1 21 . 1 1 9 9 ALA HA H 1 4.383 0.030 . 1 . . . . 9 ALA HA . 11293 1 22 . 1 1 9 9 ALA HB1 H 1 1.267 0.030 . 1 . . . . 9 ALA HB . 11293 1 23 . 1 1 9 9 ALA HB2 H 1 1.267 0.030 . 1 . . . . 9 ALA HB . 11293 1 24 . 1 1 9 9 ALA HB3 H 1 1.267 0.030 . 1 . . . . 9 ALA HB . 11293 1 25 . 1 1 9 9 ALA C C 13 177.137 0.300 . 1 . . . . 9 ALA C . 11293 1 26 . 1 1 9 9 ALA CA C 13 52.157 0.300 . 1 . . . . 9 ALA CA . 11293 1 27 . 1 1 9 9 ALA CB C 13 19.825 0.300 . 1 . . . . 9 ALA CB . 11293 1 28 . 1 1 9 9 ALA N N 15 125.576 0.300 . 1 . . . . 9 ALA N . 11293 1 29 . 1 1 10 10 SER H H 1 8.353 0.030 . 1 . . . . 10 SER H . 11293 1 30 . 1 1 10 10 SER HA H 1 4.399 0.030 . 1 . . . . 10 SER HA . 11293 1 31 . 1 1 10 10 SER HB2 H 1 3.796 0.030 . 2 . . . . 10 SER HB2 . 11293 1 32 . 1 1 10 10 SER HB3 H 1 3.704 0.030 . 2 . . . . 10 SER HB3 . 11293 1 33 . 1 1 10 10 SER C C 13 172.838 0.300 . 1 . . . . 10 SER C . 11293 1 34 . 1 1 10 10 SER CA C 13 57.804 0.300 . 1 . . . . 10 SER CA . 11293 1 35 . 1 1 10 10 SER CB C 13 64.361 0.300 . 1 . . . . 10 SER CB . 11293 1 36 . 1 1 10 10 SER N N 15 116.624 0.300 . 1 . . . . 10 SER N . 11293 1 37 . 1 1 11 11 LYS H H 1 8.293 0.030 . 1 . . . . 11 LYS H . 11293 1 38 . 1 1 11 11 LYS HA H 1 4.216 0.030 . 1 . . . . 11 LYS HA . 11293 1 39 . 1 1 11 11 LYS HB2 H 1 1.487 0.030 . 2 . . . . 11 LYS HB2 . 11293 1 40 . 1 1 11 11 LYS HB3 H 1 1.257 0.030 . 2 . . . . 11 LYS HB3 . 11293 1 41 . 1 1 11 11 LYS HD2 H 1 1.482 0.030 . 2 . . . . 11 LYS HD2 . 11293 1 42 . 1 1 11 11 LYS HD3 H 1 1.376 0.030 . 2 . . . . 11 LYS HD3 . 11293 1 43 . 1 1 11 11 LYS HE2 H 1 2.826 0.030 . 1 . . . . 11 LYS HE2 . 11293 1 44 . 1 1 11 11 LYS HE3 H 1 2.826 0.030 . 1 . . . . 11 LYS HE3 . 11293 1 45 . 1 1 11 11 LYS HG2 H 1 1.230 0.030 . 2 . . . . 11 LYS HG2 . 11293 1 46 . 1 1 11 11 LYS HG3 H 1 1.008 0.030 . 2 . . . . 11 LYS HG3 . 11293 1 47 . 1 1 11 11 LYS C C 13 175.440 0.300 . 1 . . . . 11 LYS C . 11293 1 48 . 1 1 11 11 LYS CA C 13 54.727 0.300 . 1 . . . . 11 LYS CA . 11293 1 49 . 1 1 11 11 LYS CB C 13 33.877 0.300 . 1 . . . . 11 LYS CB . 11293 1 50 . 1 1 11 11 LYS CD C 13 28.755 0.300 . 1 . . . . 11 LYS CD . 11293 1 51 . 1 1 11 11 LYS CE C 13 41.802 0.300 . 1 . . . . 11 LYS CE . 11293 1 52 . 1 1 11 11 LYS CG C 13 24.629 0.300 . 1 . . . . 11 LYS CG . 11293 1 53 . 1 1 11 11 LYS N N 15 121.088 0.300 . 1 . . . . 11 LYS N . 11293 1 54 . 1 1 12 12 CYS H H 1 8.169 0.030 . 1 . . . . 12 CYS H . 11293 1 55 . 1 1 12 12 CYS HA H 1 4.639 0.030 . 1 . . . . 12 CYS HA . 11293 1 56 . 1 1 12 12 CYS HB2 H 1 3.520 0.030 . 2 . . . . 12 CYS HB2 . 11293 1 57 . 1 1 12 12 CYS HB3 H 1 2.388 0.030 . 2 . . . . 12 CYS HB3 . 11293 1 58 . 1 1 12 12 CYS C C 13 175.988 0.300 . 1 . . . . 12 CYS C . 11293 1 59 . 1 1 12 12 CYS CA C 13 56.354 0.300 . 1 . . . . 12 CYS CA . 11293 1 60 . 1 1 12 12 CYS CB C 13 32.083 0.300 . 1 . . . . 12 CYS CB . 11293 1 61 . 1 1 12 12 CYS N N 15 129.685 0.300 . 1 . . . . 12 CYS N . 11293 1 62 . 1 1 13 13 PRO HA H 1 4.075 0.030 . 1 . . . . 13 PRO HA . 11293 1 63 . 1 1 13 13 PRO HB2 H 1 1.965 0.030 . 2 . . . . 13 PRO HB2 . 11293 1 64 . 1 1 13 13 PRO HB3 H 1 1.421 0.030 . 2 . . . . 13 PRO HB3 . 11293 1 65 . 1 1 13 13 PRO HD2 H 1 3.739 0.030 . 2 . . . . 13 PRO HD2 . 11293 1 66 . 1 1 13 13 PRO HD3 H 1 2.604 0.030 . 2 . . . . 13 PRO HD3 . 11293 1 67 . 1 1 13 13 PRO HG2 H 1 0.115 0.030 . 2 . . . . 13 PRO HG2 . 11293 1 68 . 1 1 13 13 PRO HG3 H 1 1.048 0.030 . 2 . . . . 13 PRO HG3 . 11293 1 69 . 1 1 13 13 PRO C C 13 177.155 0.300 . 1 . . . . 13 PRO C . 11293 1 70 . 1 1 13 13 PRO CA C 13 64.042 0.300 . 1 . . . . 13 PRO CA . 11293 1 71 . 1 1 13 13 PRO CB C 13 32.082 0.300 . 1 . . . . 13 PRO CB . 11293 1 72 . 1 1 13 13 PRO CD C 13 51.390 0.300 . 1 . . . . 13 PRO CD . 11293 1 73 . 1 1 13 13 PRO CG C 13 26.945 0.300 . 1 . . . . 13 PRO CG . 11293 1 74 . 1 1 14 14 LYS H H 1 8.237 0.030 . 1 . . . . 14 LYS H . 11293 1 75 . 1 1 14 14 LYS HA H 1 4.427 0.030 . 1 . . . . 14 LYS HA . 11293 1 76 . 1 1 14 14 LYS HB2 H 1 2.458 0.030 . 2 . . . . 14 LYS HB2 . 11293 1 77 . 1 1 14 14 LYS HB3 H 1 2.270 0.030 . 2 . . . . 14 LYS HB3 . 11293 1 78 . 1 1 14 14 LYS HD2 H 1 2.101 0.030 . 2 . . . . 14 LYS HD2 . 11293 1 79 . 1 1 14 14 LYS HD3 H 1 1.986 0.030 . 2 . . . . 14 LYS HD3 . 11293 1 80 . 1 1 14 14 LYS HE2 H 1 3.157 0.030 . 1 . . . . 14 LYS HE2 . 11293 1 81 . 1 1 14 14 LYS HE3 H 1 3.157 0.030 . 1 . . . . 14 LYS HE3 . 11293 1 82 . 1 1 14 14 LYS HG2 H 1 1.802 0.030 . 2 . . . . 14 LYS HG2 . 11293 1 83 . 1 1 14 14 LYS HG3 H 1 1.562 0.030 . 2 . . . . 14 LYS HG3 . 11293 1 84 . 1 1 14 14 LYS C C 13 177.105 0.300 . 1 . . . . 14 LYS C . 11293 1 85 . 1 1 14 14 LYS CA C 13 58.450 0.300 . 1 . . . . 14 LYS CA . 11293 1 86 . 1 1 14 14 LYS CB C 13 33.744 0.300 . 1 . . . . 14 LYS CB . 11293 1 87 . 1 1 14 14 LYS CD C 13 29.652 0.300 . 1 . . . . 14 LYS CD . 11293 1 88 . 1 1 14 14 LYS CE C 13 42.806 0.300 . 1 . . . . 14 LYS CE . 11293 1 89 . 1 1 14 14 LYS CG C 13 25.528 0.300 . 1 . . . . 14 LYS CG . 11293 1 90 . 1 1 14 14 LYS N N 15 118.078 0.300 . 1 . . . . 14 LYS N . 11293 1 91 . 1 1 15 15 CYS H H 1 7.489 0.030 . 1 . . . . 15 CYS H . 11293 1 92 . 1 1 15 15 CYS HA H 1 4.923 0.030 . 1 . . . . 15 CYS HA . 11293 1 93 . 1 1 15 15 CYS HB2 H 1 3.269 0.030 . 2 . . . . 15 CYS HB2 . 11293 1 94 . 1 1 15 15 CYS HB3 H 1 2.874 0.030 . 2 . . . . 15 CYS HB3 . 11293 1 95 . 1 1 15 15 CYS C C 13 175.629 0.300 . 1 . . . . 15 CYS C . 11293 1 96 . 1 1 15 15 CYS CA C 13 57.910 0.300 . 1 . . . . 15 CYS CA . 11293 1 97 . 1 1 15 15 CYS CB C 13 32.056 0.300 . 1 . . . . 15 CYS CB . 11293 1 98 . 1 1 15 15 CYS N N 15 114.140 0.300 . 1 . . . . 15 CYS N . 11293 1 99 . 1 1 16 16 ASP H H 1 8.349 0.030 . 1 . . . . 16 ASP H . 11293 1 100 . 1 1 16 16 ASP HA H 1 4.381 0.030 . 1 . . . . 16 ASP HA . 11293 1 101 . 1 1 16 16 ASP HB2 H 1 3.046 0.030 . 2 . . . . 16 ASP HB2 . 11293 1 102 . 1 1 16 16 ASP HB3 H 1 2.489 0.030 . 2 . . . . 16 ASP HB3 . 11293 1 103 . 1 1 16 16 ASP C C 13 174.484 0.300 . 1 . . . . 16 ASP C . 11293 1 104 . 1 1 16 16 ASP CA C 13 56.288 0.300 . 1 . . . . 16 ASP CA . 11293 1 105 . 1 1 16 16 ASP CB C 13 41.034 0.300 . 1 . . . . 16 ASP CB . 11293 1 106 . 1 1 16 16 ASP N N 15 121.542 0.300 . 1 . . . . 16 ASP N . 11293 1 107 . 1 1 17 17 LYS H H 1 8.090 0.030 . 1 . . . . 17 LYS H . 11293 1 108 . 1 1 17 17 LYS HA H 1 4.823 0.030 . 1 . . . . 17 LYS HA . 11293 1 109 . 1 1 17 17 LYS HB2 H 1 2.139 0.030 . 2 . . . . 17 LYS HB2 . 11293 1 110 . 1 1 17 17 LYS HB3 H 1 2.056 0.030 . 2 . . . . 17 LYS HB3 . 11293 1 111 . 1 1 17 17 LYS HD2 H 1 1.692 0.030 . 1 . . . . 17 LYS HD2 . 11293 1 112 . 1 1 17 17 LYS HD3 H 1 1.692 0.030 . 1 . . . . 17 LYS HD3 . 11293 1 113 . 1 1 17 17 LYS HE2 H 1 3.036 0.030 . 1 . . . . 17 LYS HE2 . 11293 1 114 . 1 1 17 17 LYS HE3 H 1 3.036 0.030 . 1 . . . . 17 LYS HE3 . 11293 1 115 . 1 1 17 17 LYS HG2 H 1 1.588 0.030 . 2 . . . . 17 LYS HG2 . 11293 1 116 . 1 1 17 17 LYS HG3 H 1 1.478 0.030 . 2 . . . . 17 LYS HG3 . 11293 1 117 . 1 1 17 17 LYS C C 13 177.007 0.300 . 1 . . . . 17 LYS C . 11293 1 118 . 1 1 17 17 LYS CA C 13 54.603 0.300 . 1 . . . . 17 LYS CA . 11293 1 119 . 1 1 17 17 LYS CB C 13 34.733 0.300 . 1 . . . . 17 LYS CB . 11293 1 120 . 1 1 17 17 LYS CD C 13 28.746 0.300 . 1 . . . . 17 LYS CD . 11293 1 121 . 1 1 17 17 LYS CE C 13 42.497 0.300 . 1 . . . . 17 LYS CE . 11293 1 122 . 1 1 17 17 LYS CG C 13 25.165 0.300 . 1 . . . . 17 LYS CG . 11293 1 123 . 1 1 17 17 LYS N N 15 116.956 0.300 . 1 . . . . 17 LYS N . 11293 1 124 . 1 1 18 18 THR H H 1 8.501 0.030 . 1 . . . . 18 THR H . 11293 1 125 . 1 1 18 18 THR HA H 1 4.023 0.030 . 1 . . . . 18 THR HA . 11293 1 126 . 1 1 18 18 THR HB H 1 3.707 0.030 . 1 . . . . 18 THR HB . 11293 1 127 . 1 1 18 18 THR HG21 H 1 0.657 0.030 . 1 . . . . 18 THR HG2 . 11293 1 128 . 1 1 18 18 THR HG22 H 1 0.657 0.030 . 1 . . . . 18 THR HG2 . 11293 1 129 . 1 1 18 18 THR HG23 H 1 0.657 0.030 . 1 . . . . 18 THR HG2 . 11293 1 130 . 1 1 18 18 THR C C 13 173.904 0.300 . 1 . . . . 18 THR C . 11293 1 131 . 1 1 18 18 THR CA C 13 64.265 0.300 . 1 . . . . 18 THR CA . 11293 1 132 . 1 1 18 18 THR CB C 13 69.542 0.300 . 1 . . . . 18 THR CB . 11293 1 133 . 1 1 18 18 THR CG2 C 13 22.269 0.300 . 1 . . . . 18 THR CG2 . 11293 1 134 . 1 1 18 18 THR N N 15 118.087 0.300 . 1 . . . . 18 THR N . 11293 1 135 . 1 1 19 19 VAL H H 1 8.478 0.030 . 1 . . . . 19 VAL H . 11293 1 136 . 1 1 19 19 VAL HA H 1 3.958 0.030 . 1 . . . . 19 VAL HA . 11293 1 137 . 1 1 19 19 VAL HB H 1 1.232 0.030 . 1 . . . . 19 VAL HB . 11293 1 138 . 1 1 19 19 VAL HG11 H 1 0.401 0.030 . 1 . . . . 19 VAL HG1 . 11293 1 139 . 1 1 19 19 VAL HG12 H 1 0.401 0.030 . 1 . . . . 19 VAL HG1 . 11293 1 140 . 1 1 19 19 VAL HG13 H 1 0.401 0.030 . 1 . . . . 19 VAL HG1 . 11293 1 141 . 1 1 19 19 VAL HG21 H 1 0.120 0.030 . 1 . . . . 19 VAL HG2 . 11293 1 142 . 1 1 19 19 VAL HG22 H 1 0.120 0.030 . 1 . . . . 19 VAL HG2 . 11293 1 143 . 1 1 19 19 VAL HG23 H 1 0.120 0.030 . 1 . . . . 19 VAL HG2 . 11293 1 144 . 1 1 19 19 VAL C C 13 174.317 0.300 . 1 . . . . 19 VAL C . 11293 1 145 . 1 1 19 19 VAL CA C 13 60.245 0.300 . 1 . . . . 19 VAL CA . 11293 1 146 . 1 1 19 19 VAL CB C 13 32.537 0.300 . 1 . . . . 19 VAL CB . 11293 1 147 . 1 1 19 19 VAL CG1 C 13 20.719 0.300 . 2 . . . . 19 VAL CG1 . 11293 1 148 . 1 1 19 19 VAL CG2 C 13 20.929 0.300 . 2 . . . . 19 VAL CG2 . 11293 1 149 . 1 1 19 19 VAL N N 15 127.512 0.300 . 1 . . . . 19 VAL N . 11293 1 150 . 1 1 20 20 TYR H H 1 9.084 0.030 . 1 . . . . 20 TYR H . 11293 1 151 . 1 1 20 20 TYR HA H 1 4.672 0.030 . 1 . . . . 20 TYR HA . 11293 1 152 . 1 1 20 20 TYR HB2 H 1 3.269 0.030 . 2 . . . . 20 TYR HB2 . 11293 1 153 . 1 1 20 20 TYR HB3 H 1 2.898 0.030 . 2 . . . . 20 TYR HB3 . 11293 1 154 . 1 1 20 20 TYR HD1 H 1 7.268 0.030 . 1 . . . . 20 TYR HD1 . 11293 1 155 . 1 1 20 20 TYR HD2 H 1 7.268 0.030 . 1 . . . . 20 TYR HD2 . 11293 1 156 . 1 1 20 20 TYR HE1 H 1 6.825 0.030 . 1 . . . . 20 TYR HE1 . 11293 1 157 . 1 1 20 20 TYR HE2 H 1 6.825 0.030 . 1 . . . . 20 TYR HE2 . 11293 1 158 . 1 1 20 20 TYR C C 13 177.195 0.300 . 1 . . . . 20 TYR C . 11293 1 159 . 1 1 20 20 TYR CA C 13 57.928 0.300 . 1 . . . . 20 TYR CA . 11293 1 160 . 1 1 20 20 TYR CB C 13 38.729 0.300 . 1 . . . . 20 TYR CB . 11293 1 161 . 1 1 20 20 TYR CD1 C 13 133.111 0.300 . 1 . . . . 20 TYR CD1 . 11293 1 162 . 1 1 20 20 TYR CD2 C 13 133.111 0.300 . 1 . . . . 20 TYR CD2 . 11293 1 163 . 1 1 20 20 TYR CE1 C 13 118.163 0.300 . 1 . . . . 20 TYR CE1 . 11293 1 164 . 1 1 20 20 TYR CE2 C 13 118.163 0.300 . 1 . . . . 20 TYR CE2 . 11293 1 165 . 1 1 20 20 TYR N N 15 128.907 0.300 . 1 . . . . 20 TYR N . 11293 1 166 . 1 1 21 21 PHE H H 1 8.640 0.030 . 1 . . . . 21 PHE H . 11293 1 167 . 1 1 21 21 PHE HA H 1 3.992 0.030 . 1 . . . . 21 PHE HA . 11293 1 168 . 1 1 21 21 PHE HB2 H 1 3.286 0.030 . 2 . . . . 21 PHE HB2 . 11293 1 169 . 1 1 21 21 PHE HB3 H 1 3.046 0.030 . 2 . . . . 21 PHE HB3 . 11293 1 170 . 1 1 21 21 PHE HD1 H 1 7.198 0.030 . 1 . . . . 21 PHE HD1 . 11293 1 171 . 1 1 21 21 PHE HD2 H 1 7.198 0.030 . 1 . . . . 21 PHE HD2 . 11293 1 172 . 1 1 21 21 PHE HE1 H 1 7.357 0.030 . 1 . . . . 21 PHE HE1 . 11293 1 173 . 1 1 21 21 PHE HE2 H 1 7.357 0.030 . 1 . . . . 21 PHE HE2 . 11293 1 174 . 1 1 21 21 PHE HZ H 1 7.312 0.030 . 1 . . . . 21 PHE HZ . 11293 1 175 . 1 1 21 21 PHE C C 13 177.387 0.300 . 1 . . . . 21 PHE C . 11293 1 176 . 1 1 21 21 PHE CA C 13 62.247 0.300 . 1 . . . . 21 PHE CA . 11293 1 177 . 1 1 21 21 PHE CB C 13 39.357 0.300 . 1 . . . . 21 PHE CB . 11293 1 178 . 1 1 21 21 PHE CD1 C 13 131.723 0.300 . 1 . . . . 21 PHE CD1 . 11293 1 179 . 1 1 21 21 PHE CD2 C 13 131.723 0.300 . 1 . . . . 21 PHE CD2 . 11293 1 180 . 1 1 21 21 PHE CE1 C 13 131.695 0.300 . 1 . . . . 21 PHE CE1 . 11293 1 181 . 1 1 21 21 PHE CE2 C 13 131.695 0.300 . 1 . . . . 21 PHE CE2 . 11293 1 182 . 1 1 21 21 PHE CZ C 13 130.156 0.300 . 1 . . . . 21 PHE CZ . 11293 1 183 . 1 1 21 21 PHE N N 15 121.637 0.300 . 1 . . . . 21 PHE N . 11293 1 184 . 1 1 22 22 ALA H H 1 8.239 0.030 . 1 . . . . 22 ALA H . 11293 1 185 . 1 1 22 22 ALA HA H 1 4.024 0.030 . 1 . . . . 22 ALA HA . 11293 1 186 . 1 1 22 22 ALA HB1 H 1 1.419 0.030 . 1 . . . . 22 ALA HB . 11293 1 187 . 1 1 22 22 ALA HB2 H 1 1.419 0.030 . 1 . . . . 22 ALA HB . 11293 1 188 . 1 1 22 22 ALA HB3 H 1 1.419 0.030 . 1 . . . . 22 ALA HB . 11293 1 189 . 1 1 22 22 ALA C C 13 178.276 0.300 . 1 . . . . 22 ALA C . 11293 1 190 . 1 1 22 22 ALA CA C 13 54.221 0.300 . 1 . . . . 22 ALA CA . 11293 1 191 . 1 1 22 22 ALA CB C 13 18.677 0.300 . 1 . . . . 22 ALA CB . 11293 1 192 . 1 1 22 22 ALA N N 15 118.508 0.300 . 1 . . . . 22 ALA N . 11293 1 193 . 1 1 23 23 GLU H H 1 7.661 0.030 . 1 . . . . 23 GLU H . 11293 1 194 . 1 1 23 23 GLU HA H 1 4.550 0.030 . 1 . . . . 23 GLU HA . 11293 1 195 . 1 1 23 23 GLU HB2 H 1 2.393 0.030 . 2 . . . . 23 GLU HB2 . 11293 1 196 . 1 1 23 23 GLU HB3 H 1 2.263 0.030 . 2 . . . . 23 GLU HB3 . 11293 1 197 . 1 1 23 23 GLU HG2 H 1 2.489 0.030 . 2 . . . . 23 GLU HG2 . 11293 1 198 . 1 1 23 23 GLU HG3 H 1 2.314 0.030 . 2 . . . . 23 GLU HG3 . 11293 1 199 . 1 1 23 23 GLU C C 13 175.245 0.300 . 1 . . . . 23 GLU C . 11293 1 200 . 1 1 23 23 GLU CA C 13 55.382 0.300 . 1 . . . . 23 GLU CA . 11293 1 201 . 1 1 23 23 GLU CB C 13 31.110 0.300 . 1 . . . . 23 GLU CB . 11293 1 202 . 1 1 23 23 GLU CG C 13 36.598 0.300 . 1 . . . . 23 GLU CG . 11293 1 203 . 1 1 23 23 GLU N N 15 114.121 0.300 . 1 . . . . 23 GLU N . 11293 1 204 . 1 1 24 24 LYS H H 1 7.110 0.030 . 1 . . . . 24 LYS H . 11293 1 205 . 1 1 24 24 LYS HA H 1 4.332 0.030 . 1 . . . . 24 LYS HA . 11293 1 206 . 1 1 24 24 LYS HB2 H 1 1.625 0.030 . 2 . . . . 24 LYS HB2 . 11293 1 207 . 1 1 24 24 LYS HB3 H 1 1.505 0.030 . 2 . . . . 24 LYS HB3 . 11293 1 208 . 1 1 24 24 LYS HD2 H 1 1.406 0.030 . 2 . . . . 24 LYS HD2 . 11293 1 209 . 1 1 24 24 LYS HD3 H 1 1.366 0.030 . 2 . . . . 24 LYS HD3 . 11293 1 210 . 1 1 24 24 LYS HE2 H 1 2.673 0.030 . 1 . . . . 24 LYS HE2 . 11293 1 211 . 1 1 24 24 LYS HE3 H 1 2.673 0.030 . 1 . . . . 24 LYS HE3 . 11293 1 212 . 1 1 24 24 LYS HG2 H 1 1.187 0.030 . 2 . . . . 24 LYS HG2 . 11293 1 213 . 1 1 24 24 LYS HG3 H 1 1.020 0.030 . 2 . . . . 24 LYS HG3 . 11293 1 214 . 1 1 24 24 LYS C C 13 176.308 0.300 . 1 . . . . 24 LYS C . 11293 1 215 . 1 1 24 24 LYS CA C 13 56.895 0.300 . 1 . . . . 24 LYS CA . 11293 1 216 . 1 1 24 24 LYS CB C 13 34.115 0.300 . 1 . . . . 24 LYS CB . 11293 1 217 . 1 1 24 24 LYS CD C 13 29.397 0.300 . 1 . . . . 24 LYS CD . 11293 1 218 . 1 1 24 24 LYS CE C 13 41.874 0.300 . 1 . . . . 24 LYS CE . 11293 1 219 . 1 1 24 24 LYS CG C 13 24.041 0.300 . 1 . . . . 24 LYS CG . 11293 1 220 . 1 1 24 24 LYS N N 15 120.500 0.300 . 1 . . . . 24 LYS N . 11293 1 221 . 1 1 25 25 VAL H H 1 8.982 0.030 . 1 . . . . 25 VAL H . 11293 1 222 . 1 1 25 25 VAL HA H 1 4.388 0.030 . 1 . . . . 25 VAL HA . 11293 1 223 . 1 1 25 25 VAL HB H 1 1.900 0.030 . 1 . . . . 25 VAL HB . 11293 1 224 . 1 1 25 25 VAL HG11 H 1 0.851 0.030 . 1 . . . . 25 VAL HG1 . 11293 1 225 . 1 1 25 25 VAL HG12 H 1 0.851 0.030 . 1 . . . . 25 VAL HG1 . 11293 1 226 . 1 1 25 25 VAL HG13 H 1 0.851 0.030 . 1 . . . . 25 VAL HG1 . 11293 1 227 . 1 1 25 25 VAL HG21 H 1 0.876 0.030 . 1 . . . . 25 VAL HG2 . 11293 1 228 . 1 1 25 25 VAL HG22 H 1 0.876 0.030 . 1 . . . . 25 VAL HG2 . 11293 1 229 . 1 1 25 25 VAL HG23 H 1 0.876 0.030 . 1 . . . . 25 VAL HG2 . 11293 1 230 . 1 1 25 25 VAL C C 13 173.597 0.300 . 1 . . . . 25 VAL C . 11293 1 231 . 1 1 25 25 VAL CA C 13 60.693 0.300 . 1 . . . . 25 VAL CA . 11293 1 232 . 1 1 25 25 VAL CB C 13 35.123 0.300 . 1 . . . . 25 VAL CB . 11293 1 233 . 1 1 25 25 VAL CG1 C 13 21.153 0.300 . 2 . . . . 25 VAL CG1 . 11293 1 234 . 1 1 25 25 VAL CG2 C 13 20.913 0.300 . 2 . . . . 25 VAL CG2 . 11293 1 235 . 1 1 25 25 VAL N N 15 121.644 0.300 . 1 . . . . 25 VAL N . 11293 1 236 . 1 1 26 26 SER H H 1 8.552 0.030 . 1 . . . . 26 SER H . 11293 1 237 . 1 1 26 26 SER HA H 1 5.634 0.030 . 1 . . . . 26 SER HA . 11293 1 238 . 1 1 26 26 SER HB2 H 1 3.811 0.030 . 2 . . . . 26 SER HB2 . 11293 1 239 . 1 1 26 26 SER HB3 H 1 3.619 0.030 . 2 . . . . 26 SER HB3 . 11293 1 240 . 1 1 26 26 SER C C 13 175.022 0.300 . 1 . . . . 26 SER C . 11293 1 241 . 1 1 26 26 SER CA C 13 57.043 0.300 . 1 . . . . 26 SER CA . 11293 1 242 . 1 1 26 26 SER CB C 13 63.803 0.300 . 1 . . . . 26 SER CB . 11293 1 243 . 1 1 26 26 SER N N 15 121.014 0.300 . 1 . . . . 26 SER N . 11293 1 244 . 1 1 27 27 SER H H 1 9.438 0.030 . 1 . . . . 27 SER H . 11293 1 245 . 1 1 27 27 SER HA H 1 4.572 0.030 . 1 . . . . 27 SER HA . 11293 1 246 . 1 1 27 27 SER HB2 H 1 3.668 0.030 . 2 . . . . 27 SER HB2 . 11293 1 247 . 1 1 27 27 SER HB3 H 1 3.431 0.030 . 2 . . . . 27 SER HB3 . 11293 1 248 . 1 1 27 27 SER C C 13 175.963 0.300 . 1 . . . . 27 SER C . 11293 1 249 . 1 1 27 27 SER CA C 13 58.706 0.300 . 1 . . . . 27 SER CA . 11293 1 250 . 1 1 27 27 SER CB C 13 63.579 0.300 . 1 . . . . 27 SER CB . 11293 1 251 . 1 1 27 27 SER N N 15 119.183 0.300 . 1 . . . . 27 SER N . 11293 1 252 . 1 1 28 28 LEU H H 1 9.437 0.030 . 1 . . . . 28 LEU H . 11293 1 253 . 1 1 28 28 LEU HA H 1 4.046 0.030 . 1 . . . . 28 LEU HA . 11293 1 254 . 1 1 28 28 LEU HB2 H 1 2.229 0.030 . 2 . . . . 28 LEU HB2 . 11293 1 255 . 1 1 28 28 LEU HB3 H 1 1.714 0.030 . 2 . . . . 28 LEU HB3 . 11293 1 256 . 1 1 28 28 LEU HD11 H 1 0.683 0.030 . 1 . . . . 28 LEU HD1 . 11293 1 257 . 1 1 28 28 LEU HD12 H 1 0.683 0.030 . 1 . . . . 28 LEU HD1 . 11293 1 258 . 1 1 28 28 LEU HD13 H 1 0.683 0.030 . 1 . . . . 28 LEU HD1 . 11293 1 259 . 1 1 28 28 LEU HD21 H 1 0.583 0.030 . 1 . . . . 28 LEU HD2 . 11293 1 260 . 1 1 28 28 LEU HD22 H 1 0.583 0.030 . 1 . . . . 28 LEU HD2 . 11293 1 261 . 1 1 28 28 LEU HD23 H 1 0.583 0.030 . 1 . . . . 28 LEU HD2 . 11293 1 262 . 1 1 28 28 LEU HG H 1 1.423 0.030 . 1 . . . . 28 LEU HG . 11293 1 263 . 1 1 28 28 LEU C C 13 177.183 0.300 . 1 . . . . 28 LEU C . 11293 1 264 . 1 1 28 28 LEU CA C 13 55.788 0.300 . 1 . . . . 28 LEU CA . 11293 1 265 . 1 1 28 28 LEU CB C 13 38.369 0.300 . 1 . . . . 28 LEU CB . 11293 1 266 . 1 1 28 28 LEU CD1 C 13 22.038 0.300 . 2 . . . . 28 LEU CD1 . 11293 1 267 . 1 1 28 28 LEU CD2 C 13 25.717 0.300 . 2 . . . . 28 LEU CD2 . 11293 1 268 . 1 1 28 28 LEU CG C 13 26.569 0.300 . 1 . . . . 28 LEU CG . 11293 1 269 . 1 1 28 28 LEU N N 15 126.742 0.300 . 1 . . . . 28 LEU N . 11293 1 270 . 1 1 29 29 GLY H H 1 8.995 0.030 . 1 . . . . 29 GLY H . 11293 1 271 . 1 1 29 29 GLY HA2 H 1 4.102 0.030 . 2 . . . . 29 GLY HA2 . 11293 1 272 . 1 1 29 29 GLY HA3 H 1 3.601 0.030 . 2 . . . . 29 GLY HA3 . 11293 1 273 . 1 1 29 29 GLY C C 13 173.855 0.300 . 1 . . . . 29 GLY C . 11293 1 274 . 1 1 29 29 GLY CA C 13 45.501 0.300 . 1 . . . . 29 GLY CA . 11293 1 275 . 1 1 29 29 GLY N N 15 105.294 0.300 . 1 . . . . 29 GLY N . 11293 1 276 . 1 1 30 30 LYS H H 1 7.698 0.030 . 1 . . . . 30 LYS H . 11293 1 277 . 1 1 30 30 LYS HA H 1 4.551 0.030 . 1 . . . . 30 LYS HA . 11293 1 278 . 1 1 30 30 LYS HB2 H 1 1.426 0.030 . 2 . . . . 30 LYS HB2 . 11293 1 279 . 1 1 30 30 LYS HB3 H 1 1.337 0.030 . 2 . . . . 30 LYS HB3 . 11293 1 280 . 1 1 30 30 LYS HD2 H 1 1.491 0.030 . 1 . . . . 30 LYS HD2 . 11293 1 281 . 1 1 30 30 LYS HD3 H 1 1.491 0.030 . 1 . . . . 30 LYS HD3 . 11293 1 282 . 1 1 30 30 LYS HE2 H 1 2.890 0.030 . 1 . . . . 30 LYS HE2 . 11293 1 283 . 1 1 30 30 LYS HE3 H 1 2.890 0.030 . 1 . . . . 30 LYS HE3 . 11293 1 284 . 1 1 30 30 LYS HG2 H 1 1.293 0.030 . 2 . . . . 30 LYS HG2 . 11293 1 285 . 1 1 30 30 LYS HG3 H 1 1.257 0.030 . 2 . . . . 30 LYS HG3 . 11293 1 286 . 1 1 30 30 LYS C C 13 173.505 0.300 . 1 . . . . 30 LYS C . 11293 1 287 . 1 1 30 30 LYS CA C 13 54.213 0.300 . 1 . . . . 30 LYS CA . 11293 1 288 . 1 1 30 30 LYS CB C 13 35.234 0.300 . 1 . . . . 30 LYS CB . 11293 1 289 . 1 1 30 30 LYS CD C 13 29.222 0.300 . 1 . . . . 30 LYS CD . 11293 1 290 . 1 1 30 30 LYS CE C 13 42.105 0.300 . 1 . . . . 30 LYS CE . 11293 1 291 . 1 1 30 30 LYS CG C 13 24.702 0.300 . 1 . . . . 30 LYS CG . 11293 1 292 . 1 1 30 30 LYS N N 15 119.578 0.300 . 1 . . . . 30 LYS N . 11293 1 293 . 1 1 31 31 ASP H H 1 7.993 0.030 . 1 . . . . 31 ASP H . 11293 1 294 . 1 1 31 31 ASP HA H 1 5.289 0.030 . 1 . . . . 31 ASP HA . 11293 1 295 . 1 1 31 31 ASP HB2 H 1 2.347 0.030 . 2 . . . . 31 ASP HB2 . 11293 1 296 . 1 1 31 31 ASP HB3 H 1 1.994 0.030 . 2 . . . . 31 ASP HB3 . 11293 1 297 . 1 1 31 31 ASP C C 13 174.105 0.300 . 1 . . . . 31 ASP C . 11293 1 298 . 1 1 31 31 ASP CA C 13 53.560 0.300 . 1 . . . . 31 ASP CA . 11293 1 299 . 1 1 31 31 ASP CB C 13 42.514 0.300 . 1 . . . . 31 ASP CB . 11293 1 300 . 1 1 31 31 ASP N N 15 120.207 0.300 . 1 . . . . 31 ASP N . 11293 1 301 . 1 1 32 32 TRP H H 1 9.001 0.030 . 1 . . . . 32 TRP H . 11293 1 302 . 1 1 32 32 TRP HA H 1 5.023 0.030 . 1 . . . . 32 TRP HA . 11293 1 303 . 1 1 32 32 TRP HB2 H 1 3.250 0.030 . 2 . . . . 32 TRP HB2 . 11293 1 304 . 1 1 32 32 TRP HB3 H 1 2.598 0.030 . 2 . . . . 32 TRP HB3 . 11293 1 305 . 1 1 32 32 TRP HD1 H 1 7.465 0.030 . 1 . . . . 32 TRP HD1 . 11293 1 306 . 1 1 32 32 TRP HE1 H 1 10.416 0.030 . 1 . . . . 32 TRP HE1 . 11293 1 307 . 1 1 32 32 TRP HE3 H 1 7.358 0.030 . 1 . . . . 32 TRP HE3 . 11293 1 308 . 1 1 32 32 TRP HH2 H 1 6.796 0.030 . 1 . . . . 32 TRP HH2 . 11293 1 309 . 1 1 32 32 TRP HZ2 H 1 7.178 0.030 . 1 . . . . 32 TRP HZ2 . 11293 1 310 . 1 1 32 32 TRP HZ3 H 1 7.078 0.030 . 1 . . . . 32 TRP HZ3 . 11293 1 311 . 1 1 32 32 TRP C C 13 177.791 0.300 . 1 . . . . 32 TRP C . 11293 1 312 . 1 1 32 32 TRP CA C 13 54.267 0.300 . 1 . . . . 32 TRP CA . 11293 1 313 . 1 1 32 32 TRP CB C 13 31.259 0.300 . 1 . . . . 32 TRP CB . 11293 1 314 . 1 1 32 32 TRP CD1 C 13 128.665 0.300 . 1 . . . . 32 TRP CD1 . 11293 1 315 . 1 1 32 32 TRP CE3 C 13 119.888 0.300 . 1 . . . . 32 TRP CE3 . 11293 1 316 . 1 1 32 32 TRP CH2 C 13 123.214 0.300 . 1 . . . . 32 TRP CH2 . 11293 1 317 . 1 1 32 32 TRP CZ2 C 13 112.955 0.300 . 1 . . . . 32 TRP CZ2 . 11293 1 318 . 1 1 32 32 TRP CZ3 C 13 122.202 0.300 . 1 . . . . 32 TRP CZ3 . 11293 1 319 . 1 1 32 32 TRP N N 15 118.858 0.300 . 1 . . . . 32 TRP N . 11293 1 320 . 1 1 32 32 TRP NE1 N 15 131.599 0.300 . 1 . . . . 32 TRP NE1 . 11293 1 321 . 1 1 33 33 HIS H H 1 7.908 0.030 . 1 . . . . 33 HIS H . 11293 1 322 . 1 1 33 33 HIS HA H 1 4.572 0.030 . 1 . . . . 33 HIS HA . 11293 1 323 . 1 1 33 33 HIS HB2 H 1 3.489 0.030 . 2 . . . . 33 HIS HB2 . 11293 1 324 . 1 1 33 33 HIS HB3 H 1 2.561 0.030 . 2 . . . . 33 HIS HB3 . 11293 1 325 . 1 1 33 33 HIS HD2 H 1 7.355 0.030 . 1 . . . . 33 HIS HD2 . 11293 1 326 . 1 1 33 33 HIS HE1 H 1 7.351 0.030 . 1 . . . . 33 HIS HE1 . 11293 1 327 . 1 1 33 33 HIS C C 13 178.981 0.300 . 1 . . . . 33 HIS C . 11293 1 328 . 1 1 33 33 HIS CA C 13 59.237 0.300 . 1 . . . . 33 HIS CA . 11293 1 329 . 1 1 33 33 HIS CB C 13 30.096 0.300 . 1 . . . . 33 HIS CB . 11293 1 330 . 1 1 33 33 HIS CD2 C 13 118.320 0.300 . 1 . . . . 33 HIS CD2 . 11293 1 331 . 1 1 33 33 HIS CE1 C 13 138.993 0.300 . 1 . . . . 33 HIS CE1 . 11293 1 332 . 1 1 33 33 HIS N N 15 117.757 0.300 . 1 . . . . 33 HIS N . 11293 1 333 . 1 1 34 34 LYS H H 1 9.278 0.030 . 1 . . . . 34 LYS H . 11293 1 334 . 1 1 34 34 LYS HA H 1 3.787 0.030 . 1 . . . . 34 LYS HA . 11293 1 335 . 1 1 34 34 LYS HB2 H 1 1.740 0.030 . 1 . . . . 34 LYS HB2 . 11293 1 336 . 1 1 34 34 LYS HB3 H 1 1.740 0.030 . 1 . . . . 34 LYS HB3 . 11293 1 337 . 1 1 34 34 LYS HD2 H 1 1.615 0.030 . 1 . . . . 34 LYS HD2 . 11293 1 338 . 1 1 34 34 LYS HD3 H 1 1.615 0.030 . 1 . . . . 34 LYS HD3 . 11293 1 339 . 1 1 34 34 LYS HE2 H 1 2.879 0.030 . 1 . . . . 34 LYS HE2 . 11293 1 340 . 1 1 34 34 LYS HE3 H 1 2.879 0.030 . 1 . . . . 34 LYS HE3 . 11293 1 341 . 1 1 34 34 LYS HG2 H 1 1.196 0.030 . 2 . . . . 34 LYS HG2 . 11293 1 342 . 1 1 34 34 LYS HG3 H 1 1.275 0.030 . 2 . . . . 34 LYS HG3 . 11293 1 343 . 1 1 34 34 LYS C C 13 178.823 0.300 . 1 . . . . 34 LYS C . 11293 1 344 . 1 1 34 34 LYS CA C 13 60.460 0.300 . 1 . . . . 34 LYS CA . 11293 1 345 . 1 1 34 34 LYS CB C 13 32.386 0.300 . 1 . . . . 34 LYS CB . 11293 1 346 . 1 1 34 34 LYS CD C 13 29.570 0.300 . 1 . . . . 34 LYS CD . 11293 1 347 . 1 1 34 34 LYS CE C 13 42.045 0.300 . 1 . . . . 34 LYS CE . 11293 1 348 . 1 1 34 34 LYS CG C 13 25.216 0.300 . 1 . . . . 34 LYS CG . 11293 1 349 . 1 1 34 34 LYS N N 15 125.031 0.300 . 1 . . . . 34 LYS N . 11293 1 350 . 1 1 35 35 PHE H H 1 7.630 0.030 . 1 . . . . 35 PHE H . 11293 1 351 . 1 1 35 35 PHE HA H 1 4.497 0.030 . 1 . . . . 35 PHE HA . 11293 1 352 . 1 1 35 35 PHE HB2 H 1 3.310 0.030 . 2 . . . . 35 PHE HB2 . 11293 1 353 . 1 1 35 35 PHE HB3 H 1 3.090 0.030 . 2 . . . . 35 PHE HB3 . 11293 1 354 . 1 1 35 35 PHE HD1 H 1 7.303 0.030 . 1 . . . . 35 PHE HD1 . 11293 1 355 . 1 1 35 35 PHE HD2 H 1 7.303 0.030 . 1 . . . . 35 PHE HD2 . 11293 1 356 . 1 1 35 35 PHE HE1 H 1 7.082 0.030 . 1 . . . . 35 PHE HE1 . 11293 1 357 . 1 1 35 35 PHE HE2 H 1 7.082 0.030 . 1 . . . . 35 PHE HE2 . 11293 1 358 . 1 1 35 35 PHE C C 13 176.281 0.300 . 1 . . . . 35 PHE C . 11293 1 359 . 1 1 35 35 PHE CA C 13 57.337 0.300 . 1 . . . . 35 PHE CA . 11293 1 360 . 1 1 35 35 PHE CB C 13 37.832 0.300 . 1 . . . . 35 PHE CB . 11293 1 361 . 1 1 35 35 PHE CD1 C 13 132.158 0.300 . 1 . . . . 35 PHE CD1 . 11293 1 362 . 1 1 35 35 PHE CD2 C 13 132.158 0.300 . 1 . . . . 35 PHE CD2 . 11293 1 363 . 1 1 35 35 PHE CE1 C 13 130.393 0.300 . 1 . . . . 35 PHE CE1 . 11293 1 364 . 1 1 35 35 PHE CE2 C 13 130.393 0.300 . 1 . . . . 35 PHE CE2 . 11293 1 365 . 1 1 35 35 PHE N N 15 112.045 0.300 . 1 . . . . 35 PHE N . 11293 1 366 . 1 1 36 36 CYS H H 1 7.510 0.030 . 1 . . . . 36 CYS H . 11293 1 367 . 1 1 36 36 CYS HA H 1 4.357 0.030 . 1 . . . . 36 CYS HA . 11293 1 368 . 1 1 36 36 CYS HB2 H 1 3.235 0.030 . 1 . . . . 36 CYS HB2 . 11293 1 369 . 1 1 36 36 CYS HB3 H 1 3.235 0.030 . 1 . . . . 36 CYS HB3 . 11293 1 370 . 1 1 36 36 CYS C C 13 175.338 0.300 . 1 . . . . 36 CYS C . 11293 1 371 . 1 1 36 36 CYS CA C 13 61.890 0.300 . 1 . . . . 36 CYS CA . 11293 1 372 . 1 1 36 36 CYS CB C 13 31.438 0.300 . 1 . . . . 36 CYS CB . 11293 1 373 . 1 1 36 36 CYS N N 15 117.855 0.300 . 1 . . . . 36 CYS N . 11293 1 374 . 1 1 37 37 LEU H H 1 6.856 0.030 . 1 . . . . 37 LEU H . 11293 1 375 . 1 1 37 37 LEU HA H 1 3.745 0.030 . 1 . . . . 37 LEU HA . 11293 1 376 . 1 1 37 37 LEU HB2 H 1 1.694 0.030 . 2 . . . . 37 LEU HB2 . 11293 1 377 . 1 1 37 37 LEU HB3 H 1 0.674 0.030 . 2 . . . . 37 LEU HB3 . 11293 1 378 . 1 1 37 37 LEU HD11 H 1 -0.576 0.030 . 1 . . . . 37 LEU HD1 . 11293 1 379 . 1 1 37 37 LEU HD12 H 1 -0.576 0.030 . 1 . . . . 37 LEU HD1 . 11293 1 380 . 1 1 37 37 LEU HD13 H 1 -0.576 0.030 . 1 . . . . 37 LEU HD1 . 11293 1 381 . 1 1 37 37 LEU HD21 H 1 0.059 0.030 . 1 . . . . 37 LEU HD2 . 11293 1 382 . 1 1 37 37 LEU HD22 H 1 0.059 0.030 . 1 . . . . 37 LEU HD2 . 11293 1 383 . 1 1 37 37 LEU HD23 H 1 0.059 0.030 . 1 . . . . 37 LEU HD2 . 11293 1 384 . 1 1 37 37 LEU HG H 1 0.707 0.030 . 1 . . . . 37 LEU HG . 11293 1 385 . 1 1 37 37 LEU C C 13 173.899 0.300 . 1 . . . . 37 LEU C . 11293 1 386 . 1 1 37 37 LEU CA C 13 53.730 0.300 . 1 . . . . 37 LEU CA . 11293 1 387 . 1 1 37 37 LEU CB C 13 38.588 0.300 . 1 . . . . 37 LEU CB . 11293 1 388 . 1 1 37 37 LEU CD1 C 13 21.607 0.300 . 2 . . . . 37 LEU CD1 . 11293 1 389 . 1 1 37 37 LEU CD2 C 13 24.056 0.300 . 2 . . . . 37 LEU CD2 . 11293 1 390 . 1 1 37 37 LEU CG C 13 27.188 0.300 . 1 . . . . 37 LEU CG . 11293 1 391 . 1 1 37 37 LEU N N 15 122.753 0.300 . 1 . . . . 37 LEU N . 11293 1 392 . 1 1 38 38 LYS H H 1 7.611 0.030 . 1 . . . . 38 LYS H . 11293 1 393 . 1 1 38 38 LYS HA H 1 4.697 0.030 . 1 . . . . 38 LYS HA . 11293 1 394 . 1 1 38 38 LYS HB2 H 1 1.206 0.030 . 1 . . . . 38 LYS HB2 . 11293 1 395 . 1 1 38 38 LYS HB3 H 1 1.206 0.030 . 1 . . . . 38 LYS HB3 . 11293 1 396 . 1 1 38 38 LYS HD2 H 1 1.507 0.030 . 1 . . . . 38 LYS HD2 . 11293 1 397 . 1 1 38 38 LYS HD3 H 1 1.507 0.030 . 1 . . . . 38 LYS HD3 . 11293 1 398 . 1 1 38 38 LYS HE2 H 1 2.897 0.030 . 1 . . . . 38 LYS HE2 . 11293 1 399 . 1 1 38 38 LYS HE3 H 1 2.897 0.030 . 1 . . . . 38 LYS HE3 . 11293 1 400 . 1 1 38 38 LYS HG2 H 1 1.008 0.030 . 1 . . . . 38 LYS HG2 . 11293 1 401 . 1 1 38 38 LYS HG3 H 1 1.008 0.030 . 1 . . . . 38 LYS HG3 . 11293 1 402 . 1 1 38 38 LYS C C 13 174.559 0.300 . 1 . . . . 38 LYS C . 11293 1 403 . 1 1 38 38 LYS CA C 13 53.524 0.300 . 1 . . . . 38 LYS CA . 11293 1 404 . 1 1 38 38 LYS CB C 13 36.240 0.300 . 1 . . . . 38 LYS CB . 11293 1 405 . 1 1 38 38 LYS CD C 13 29.362 0.300 . 1 . . . . 38 LYS CD . 11293 1 406 . 1 1 38 38 LYS CE C 13 42.136 0.300 . 1 . . . . 38 LYS CE . 11293 1 407 . 1 1 38 38 LYS CG C 13 24.465 0.300 . 1 . . . . 38 LYS CG . 11293 1 408 . 1 1 38 38 LYS N N 15 124.210 0.300 . 1 . . . . 38 LYS N . 11293 1 409 . 1 1 39 39 CYS H H 1 8.643 0.030 . 1 . . . . 39 CYS H . 11293 1 410 . 1 1 39 39 CYS HA H 1 3.765 0.030 . 1 . . . . 39 CYS HA . 11293 1 411 . 1 1 39 39 CYS HB2 H 1 3.134 0.030 . 1 . . . . 39 CYS HB2 . 11293 1 412 . 1 1 39 39 CYS HB3 H 1 3.134 0.030 . 1 . . . . 39 CYS HB3 . 11293 1 413 . 1 1 39 39 CYS C C 13 177.987 0.300 . 1 . . . . 39 CYS C . 11293 1 414 . 1 1 39 39 CYS CA C 13 59.802 0.300 . 1 . . . . 39 CYS CA . 11293 1 415 . 1 1 39 39 CYS CB C 13 31.413 0.300 . 1 . . . . 39 CYS CB . 11293 1 416 . 1 1 39 39 CYS N N 15 123.524 0.300 . 1 . . . . 39 CYS N . 11293 1 417 . 1 1 40 40 GLU H H 1 8.717 0.030 . 1 . . . . 40 GLU H . 11293 1 418 . 1 1 40 40 GLU HA H 1 3.946 0.030 . 1 . . . . 40 GLU HA . 11293 1 419 . 1 1 40 40 GLU HB2 H 1 1.550 0.030 . 2 . . . . 40 GLU HB2 . 11293 1 420 . 1 1 40 40 GLU HB3 H 1 1.093 0.030 . 2 . . . . 40 GLU HB3 . 11293 1 421 . 1 1 40 40 GLU HG2 H 1 2.217 0.030 . 2 . . . . 40 GLU HG2 . 11293 1 422 . 1 1 40 40 GLU HG3 H 1 2.163 0.030 . 2 . . . . 40 GLU HG3 . 11293 1 423 . 1 1 40 40 GLU C C 13 175.979 0.300 . 1 . . . . 40 GLU C . 11293 1 424 . 1 1 40 40 GLU CA C 13 57.799 0.300 . 1 . . . . 40 GLU CA . 11293 1 425 . 1 1 40 40 GLU CB C 13 29.845 0.300 . 1 . . . . 40 GLU CB . 11293 1 426 . 1 1 40 40 GLU CG C 13 34.520 0.300 . 1 . . . . 40 GLU CG . 11293 1 427 . 1 1 40 40 GLU N N 15 131.948 0.300 . 1 . . . . 40 GLU N . 11293 1 428 . 1 1 41 41 ARG H H 1 9.084 0.030 . 1 . . . . 41 ARG H . 11293 1 429 . 1 1 41 41 ARG HA H 1 4.560 0.030 . 1 . . . . 41 ARG HA . 11293 1 430 . 1 1 41 41 ARG HB2 H 1 2.391 0.030 . 2 . . . . 41 ARG HB2 . 11293 1 431 . 1 1 41 41 ARG HB3 H 1 1.956 0.030 . 2 . . . . 41 ARG HB3 . 11293 1 432 . 1 1 41 41 ARG HD2 H 1 3.254 0.030 . 2 . . . . 41 ARG HD2 . 11293 1 433 . 1 1 41 41 ARG HD3 H 1 3.198 0.030 . 2 . . . . 41 ARG HD3 . 11293 1 434 . 1 1 41 41 ARG HG2 H 1 1.735 0.030 . 2 . . . . 41 ARG HG2 . 11293 1 435 . 1 1 41 41 ARG HG3 H 1 1.592 0.030 . 2 . . . . 41 ARG HG3 . 11293 1 436 . 1 1 41 41 ARG C C 13 177.301 0.300 . 1 . . . . 41 ARG C . 11293 1 437 . 1 1 41 41 ARG CA C 13 58.087 0.300 . 1 . . . . 41 ARG CA . 11293 1 438 . 1 1 41 41 ARG CB C 13 30.981 0.300 . 1 . . . . 41 ARG CB . 11293 1 439 . 1 1 41 41 ARG CD C 13 43.134 0.300 . 1 . . . . 41 ARG CD . 11293 1 440 . 1 1 41 41 ARG CG C 13 28.046 0.300 . 1 . . . . 41 ARG CG . 11293 1 441 . 1 1 41 41 ARG N N 15 120.276 0.300 . 1 . . . . 41 ARG N . 11293 1 442 . 1 1 42 42 CYS H H 1 8.664 0.030 . 1 . . . . 42 CYS H . 11293 1 443 . 1 1 42 42 CYS HA H 1 4.998 0.030 . 1 . . . . 42 CYS HA . 11293 1 444 . 1 1 42 42 CYS HB2 H 1 3.291 0.030 . 2 . . . . 42 CYS HB2 . 11293 1 445 . 1 1 42 42 CYS HB3 H 1 2.647 0.030 . 2 . . . . 42 CYS HB3 . 11293 1 446 . 1 1 42 42 CYS C C 13 176.577 0.300 . 1 . . . . 42 CYS C . 11293 1 447 . 1 1 42 42 CYS CA C 13 59.484 0.300 . 1 . . . . 42 CYS CA . 11293 1 448 . 1 1 42 42 CYS CB C 13 32.696 0.300 . 1 . . . . 42 CYS CB . 11293 1 449 . 1 1 42 42 CYS N N 15 118.993 0.300 . 1 . . . . 42 CYS N . 11293 1 450 . 1 1 43 43 SER H H 1 8.007 0.030 . 1 . . . . 43 SER H . 11293 1 451 . 1 1 43 43 SER HA H 1 4.069 0.030 . 1 . . . . 43 SER HA . 11293 1 452 . 1 1 43 43 SER HB2 H 1 4.178 0.030 . 2 . . . . 43 SER HB2 . 11293 1 453 . 1 1 43 43 SER HB3 H 1 4.000 0.030 . 2 . . . . 43 SER HB3 . 11293 1 454 . 1 1 43 43 SER C C 13 172.208 0.300 . 1 . . . . 43 SER C . 11293 1 455 . 1 1 43 43 SER CA C 13 61.359 0.300 . 1 . . . . 43 SER CA . 11293 1 456 . 1 1 43 43 SER CB C 13 62.207 0.300 . 1 . . . . 43 SER CB . 11293 1 457 . 1 1 43 43 SER N N 15 115.633 0.300 . 1 . . . . 43 SER N . 11293 1 458 . 1 1 44 44 LYS H H 1 8.360 0.030 . 1 . . . . 44 LYS H . 11293 1 459 . 1 1 44 44 LYS HA H 1 4.078 0.030 . 1 . . . . 44 LYS HA . 11293 1 460 . 1 1 44 44 LYS HB2 H 1 1.792 0.030 . 2 . . . . 44 LYS HB2 . 11293 1 461 . 1 1 44 44 LYS HB3 H 1 1.502 0.030 . 2 . . . . 44 LYS HB3 . 11293 1 462 . 1 1 44 44 LYS HD2 H 1 1.708 0.030 . 1 . . . . 44 LYS HD2 . 11293 1 463 . 1 1 44 44 LYS HD3 H 1 1.708 0.030 . 1 . . . . 44 LYS HD3 . 11293 1 464 . 1 1 44 44 LYS HE2 H 1 3.039 0.030 . 1 . . . . 44 LYS HE2 . 11293 1 465 . 1 1 44 44 LYS HE3 H 1 3.039 0.030 . 1 . . . . 44 LYS HE3 . 11293 1 466 . 1 1 44 44 LYS HG2 H 1 1.564 0.030 . 2 . . . . 44 LYS HG2 . 11293 1 467 . 1 1 44 44 LYS HG3 H 1 1.470 0.030 . 2 . . . . 44 LYS HG3 . 11293 1 468 . 1 1 44 44 LYS C C 13 176.819 0.300 . 1 . . . . 44 LYS C . 11293 1 469 . 1 1 44 44 LYS CA C 13 58.017 0.300 . 1 . . . . 44 LYS CA . 11293 1 470 . 1 1 44 44 LYS CB C 13 33.951 0.300 . 1 . . . . 44 LYS CB . 11293 1 471 . 1 1 44 44 LYS CD C 13 29.612 0.300 . 1 . . . . 44 LYS CD . 11293 1 472 . 1 1 44 44 LYS CE C 13 42.312 0.300 . 1 . . . . 44 LYS CE . 11293 1 473 . 1 1 44 44 LYS CG C 13 25.389 0.300 . 1 . . . . 44 LYS CG . 11293 1 474 . 1 1 44 44 LYS N N 15 123.797 0.300 . 1 . . . . 44 LYS N . 11293 1 475 . 1 1 45 45 THR H H 1 8.554 0.030 . 1 . . . . 45 THR H . 11293 1 476 . 1 1 45 45 THR HA H 1 3.922 0.030 . 1 . . . . 45 THR HA . 11293 1 477 . 1 1 45 45 THR HB H 1 4.012 0.030 . 1 . . . . 45 THR HB . 11293 1 478 . 1 1 45 45 THR HG21 H 1 1.221 0.030 . 1 . . . . 45 THR HG2 . 11293 1 479 . 1 1 45 45 THR HG22 H 1 1.221 0.030 . 1 . . . . 45 THR HG2 . 11293 1 480 . 1 1 45 45 THR HG23 H 1 1.221 0.030 . 1 . . . . 45 THR HG2 . 11293 1 481 . 1 1 45 45 THR C C 13 173.932 0.300 . 1 . . . . 45 THR C . 11293 1 482 . 1 1 45 45 THR CA C 13 64.904 0.300 . 1 . . . . 45 THR CA . 11293 1 483 . 1 1 45 45 THR CB C 13 69.040 0.300 . 1 . . . . 45 THR CB . 11293 1 484 . 1 1 45 45 THR CG2 C 13 22.277 0.300 . 1 . . . . 45 THR CG2 . 11293 1 485 . 1 1 45 45 THR N N 15 120.210 0.300 . 1 . . . . 45 THR N . 11293 1 486 . 1 1 46 46 LEU H H 1 7.733 0.030 . 1 . . . . 46 LEU H . 11293 1 487 . 1 1 46 46 LEU HA H 1 4.497 0.030 . 1 . . . . 46 LEU HA . 11293 1 488 . 1 1 46 46 LEU HB2 H 1 0.820 0.030 . 1 . . . . 46 LEU HB2 . 11293 1 489 . 1 1 46 46 LEU HB3 H 1 0.820 0.030 . 1 . . . . 46 LEU HB3 . 11293 1 490 . 1 1 46 46 LEU HD11 H 1 -0.156 0.030 . 1 . . . . 46 LEU HD1 . 11293 1 491 . 1 1 46 46 LEU HD12 H 1 -0.156 0.030 . 1 . . . . 46 LEU HD1 . 11293 1 492 . 1 1 46 46 LEU HD13 H 1 -0.156 0.030 . 1 . . . . 46 LEU HD1 . 11293 1 493 . 1 1 46 46 LEU HD21 H 1 0.809 0.030 . 1 . . . . 46 LEU HD2 . 11293 1 494 . 1 1 46 46 LEU HD22 H 1 0.809 0.030 . 1 . . . . 46 LEU HD2 . 11293 1 495 . 1 1 46 46 LEU HD23 H 1 0.809 0.030 . 1 . . . . 46 LEU HD2 . 11293 1 496 . 1 1 46 46 LEU HG H 1 1.471 0.030 . 1 . . . . 46 LEU HG . 11293 1 497 . 1 1 46 46 LEU C C 13 175.096 0.300 . 1 . . . . 46 LEU C . 11293 1 498 . 1 1 46 46 LEU CA C 13 52.958 0.300 . 1 . . . . 46 LEU CA . 11293 1 499 . 1 1 46 46 LEU CB C 13 43.260 0.300 . 1 . . . . 46 LEU CB . 11293 1 500 . 1 1 46 46 LEU CD1 C 13 26.073 0.300 . 2 . . . . 46 LEU CD1 . 11293 1 501 . 1 1 46 46 LEU CD2 C 13 23.721 0.300 . 2 . . . . 46 LEU CD2 . 11293 1 502 . 1 1 46 46 LEU CG C 13 26.019 0.300 . 1 . . . . 46 LEU CG . 11293 1 503 . 1 1 46 46 LEU N N 15 127.473 0.300 . 1 . . . . 46 LEU N . 11293 1 504 . 1 1 47 47 THR H H 1 8.569 0.030 . 1 . . . . 47 THR H . 11293 1 505 . 1 1 47 47 THR HA H 1 4.522 0.030 . 1 . . . . 47 THR HA . 11293 1 506 . 1 1 47 47 THR HB H 1 4.018 0.030 . 1 . . . . 47 THR HB . 11293 1 507 . 1 1 47 47 THR HG21 H 1 1.258 0.030 . 1 . . . . 47 THR HG2 . 11293 1 508 . 1 1 47 47 THR HG22 H 1 1.258 0.030 . 1 . . . . 47 THR HG2 . 11293 1 509 . 1 1 47 47 THR HG23 H 1 1.258 0.030 . 1 . . . . 47 THR HG2 . 11293 1 510 . 1 1 47 47 THR C C 13 172.806 0.300 . 1 . . . . 47 THR C . 11293 1 511 . 1 1 47 47 THR CA C 13 59.538 0.300 . 1 . . . . 47 THR CA . 11293 1 512 . 1 1 47 47 THR CB C 13 70.360 0.300 . 1 . . . . 47 THR CB . 11293 1 513 . 1 1 47 47 THR CG2 C 13 21.149 0.300 . 1 . . . . 47 THR CG2 . 11293 1 514 . 1 1 47 47 THR N N 15 117.464 0.300 . 1 . . . . 47 THR N . 11293 1 515 . 1 1 48 48 PRO HA H 1 4.251 0.030 . 1 . . . . 48 PRO HA . 11293 1 516 . 1 1 48 48 PRO HB2 H 1 2.537 0.030 . 2 . . . . 48 PRO HB2 . 11293 1 517 . 1 1 48 48 PRO HB3 H 1 2.014 0.030 . 2 . . . . 48 PRO HB3 . 11293 1 518 . 1 1 48 48 PRO HD2 H 1 3.936 0.030 . 2 . . . . 48 PRO HD2 . 11293 1 519 . 1 1 48 48 PRO HD3 H 1 3.711 0.030 . 2 . . . . 48 PRO HD3 . 11293 1 520 . 1 1 48 48 PRO HG2 H 1 2.196 0.030 . 2 . . . . 48 PRO HG2 . 11293 1 521 . 1 1 48 48 PRO HG3 H 1 1.688 0.030 . 2 . . . . 48 PRO HG3 . 11293 1 522 . 1 1 48 48 PRO C C 13 178.088 0.300 . 1 . . . . 48 PRO C . 11293 1 523 . 1 1 48 48 PRO CA C 13 64.030 0.300 . 1 . . . . 48 PRO CA . 11293 1 524 . 1 1 48 48 PRO CB C 13 31.532 0.300 . 1 . . . . 48 PRO CB . 11293 1 525 . 1 1 48 48 PRO CD C 13 51.292 0.300 . 1 . . . . 48 PRO CD . 11293 1 526 . 1 1 48 48 PRO CG C 13 28.365 0.300 . 1 . . . . 48 PRO CG . 11293 1 527 . 1 1 49 49 GLY H H 1 9.737 0.030 . 1 . . . . 49 GLY H . 11293 1 528 . 1 1 49 49 GLY HA2 H 1 4.242 0.030 . 2 . . . . 49 GLY HA2 . 11293 1 529 . 1 1 49 49 GLY HA3 H 1 3.690 0.030 . 2 . . . . 49 GLY HA3 . 11293 1 530 . 1 1 49 49 GLY C C 13 174.940 0.300 . 1 . . . . 49 GLY C . 11293 1 531 . 1 1 49 49 GLY CA C 13 45.954 0.300 . 1 . . . . 49 GLY CA . 11293 1 532 . 1 1 49 49 GLY N N 15 113.707 0.300 . 1 . . . . 49 GLY N . 11293 1 533 . 1 1 50 50 GLY H H 1 8.593 0.030 . 1 . . . . 50 GLY H . 11293 1 534 . 1 1 50 50 GLY HA2 H 1 4.785 0.030 . 2 . . . . 50 GLY HA2 . 11293 1 535 . 1 1 50 50 GLY HA3 H 1 3.463 0.030 . 2 . . . . 50 GLY HA3 . 11293 1 536 . 1 1 50 50 GLY C C 13 173.831 0.300 . 1 . . . . 50 GLY C . 11293 1 537 . 1 1 50 50 GLY CA C 13 46.096 0.300 . 1 . . . . 50 GLY CA . 11293 1 538 . 1 1 50 50 GLY N N 15 109.702 0.300 . 1 . . . . 50 GLY N . 11293 1 539 . 1 1 51 51 HIS H H 1 6.830 0.030 . 1 . . . . 51 HIS H . 11293 1 540 . 1 1 51 51 HIS HA H 1 4.222 0.030 . 1 . . . . 51 HIS HA . 11293 1 541 . 1 1 51 51 HIS HB2 H 1 3.226 0.030 . 2 . . . . 51 HIS HB2 . 11293 1 542 . 1 1 51 51 HIS HB3 H 1 2.830 0.030 . 2 . . . . 51 HIS HB3 . 11293 1 543 . 1 1 51 51 HIS HD2 H 1 6.812 0.030 . 1 . . . . 51 HIS HD2 . 11293 1 544 . 1 1 51 51 HIS HE1 H 1 6.834 0.030 . 1 . . . . 51 HIS HE1 . 11293 1 545 . 1 1 51 51 HIS C C 13 170.286 0.300 . 1 . . . . 51 HIS C . 11293 1 546 . 1 1 51 51 HIS CA C 13 53.392 0.300 . 1 . . . . 51 HIS CA . 11293 1 547 . 1 1 51 51 HIS CB C 13 31.736 0.300 . 1 . . . . 51 HIS CB . 11293 1 548 . 1 1 51 51 HIS CD2 C 13 129.182 0.300 . 1 . . . . 51 HIS CD2 . 11293 1 549 . 1 1 51 51 HIS CE1 C 13 137.425 0.300 . 1 . . . . 51 HIS CE1 . 11293 1 550 . 1 1 51 51 HIS N N 15 115.590 0.300 . 1 . . . . 51 HIS N . 11293 1 551 . 1 1 52 52 ALA H H 1 8.166 0.030 . 1 . . . . 52 ALA H . 11293 1 552 . 1 1 52 52 ALA HA H 1 4.456 0.030 . 1 . . . . 52 ALA HA . 11293 1 553 . 1 1 52 52 ALA HB1 H 1 0.831 0.030 . 1 . . . . 52 ALA HB . 11293 1 554 . 1 1 52 52 ALA HB2 H 1 0.831 0.030 . 1 . . . . 52 ALA HB . 11293 1 555 . 1 1 52 52 ALA HB3 H 1 0.831 0.030 . 1 . . . . 52 ALA HB . 11293 1 556 . 1 1 52 52 ALA C C 13 178.373 0.300 . 1 . . . . 52 ALA C . 11293 1 557 . 1 1 52 52 ALA CA C 13 50.129 0.300 . 1 . . . . 52 ALA CA . 11293 1 558 . 1 1 52 52 ALA CB C 13 22.293 0.300 . 1 . . . . 52 ALA CB . 11293 1 559 . 1 1 52 52 ALA N N 15 120.700 0.300 . 1 . . . . 52 ALA N . 11293 1 560 . 1 1 53 53 GLU H H 1 8.728 0.030 . 1 . . . . 53 GLU H . 11293 1 561 . 1 1 53 53 GLU HA H 1 5.663 0.030 . 1 . . . . 53 GLU HA . 11293 1 562 . 1 1 53 53 GLU HB2 H 1 1.961 0.030 . 1 . . . . 53 GLU HB2 . 11293 1 563 . 1 1 53 53 GLU HB3 H 1 1.961 0.030 . 1 . . . . 53 GLU HB3 . 11293 1 564 . 1 1 53 53 GLU HG2 H 1 2.189 0.030 . 2 . . . . 53 GLU HG2 . 11293 1 565 . 1 1 53 53 GLU HG3 H 1 2.071 0.030 . 2 . . . . 53 GLU HG3 . 11293 1 566 . 1 1 53 53 GLU C C 13 174.054 0.300 . 1 . . . . 53 GLU C . 11293 1 567 . 1 1 53 53 GLU CA C 13 55.859 0.300 . 1 . . . . 53 GLU CA . 11293 1 568 . 1 1 53 53 GLU CB C 13 32.768 0.300 . 1 . . . . 53 GLU CB . 11293 1 569 . 1 1 53 53 GLU CG C 13 35.333 0.300 . 1 . . . . 53 GLU CG . 11293 1 570 . 1 1 53 53 GLU N N 15 122.019 0.300 . 1 . . . . 53 GLU N . 11293 1 571 . 1 1 54 54 HIS H H 1 9.367 0.030 . 1 . . . . 54 HIS H . 11293 1 572 . 1 1 54 54 HIS HA H 1 4.643 0.030 . 1 . . . . 54 HIS HA . 11293 1 573 . 1 1 54 54 HIS HB2 H 1 2.908 0.030 . 2 . . . . 54 HIS HB2 . 11293 1 574 . 1 1 54 54 HIS HB3 H 1 2.526 0.030 . 2 . . . . 54 HIS HB3 . 11293 1 575 . 1 1 54 54 HIS HD2 H 1 6.815 0.030 . 1 . . . . 54 HIS HD2 . 11293 1 576 . 1 1 54 54 HIS C C 13 175.114 0.300 . 1 . . . . 54 HIS C . 11293 1 577 . 1 1 54 54 HIS CA C 13 57.557 0.300 . 1 . . . . 54 HIS CA . 11293 1 578 . 1 1 54 54 HIS CB C 13 33.543 0.300 . 1 . . . . 54 HIS CB . 11293 1 579 . 1 1 54 54 HIS CD2 C 13 119.788 0.300 . 1 . . . . 54 HIS CD2 . 11293 1 580 . 1 1 54 54 HIS N N 15 121.668 0.300 . 1 . . . . 54 HIS N . 11293 1 581 . 1 1 55 55 ASP HA H 1 4.146 0.030 . 1 . . . . 55 ASP HA . 11293 1 582 . 1 1 55 55 ASP HB2 H 1 2.983 0.030 . 2 . . . . 55 ASP HB2 . 11293 1 583 . 1 1 55 55 ASP HB3 H 1 2.300 0.030 . 2 . . . . 55 ASP HB3 . 11293 1 584 . 1 1 55 55 ASP C C 13 175.513 0.300 . 1 . . . . 55 ASP C . 11293 1 585 . 1 1 55 55 ASP CA C 13 55.187 0.300 . 1 . . . . 55 ASP CA . 11293 1 586 . 1 1 55 55 ASP CB C 13 39.572 0.300 . 1 . . . . 55 ASP CB . 11293 1 587 . 1 1 56 56 GLY H H 1 8.927 0.030 . 1 . . . . 56 GLY H . 11293 1 588 . 1 1 56 56 GLY HA2 H 1 4.062 0.030 . 2 . . . . 56 GLY HA2 . 11293 1 589 . 1 1 56 56 GLY HA3 H 1 3.532 0.030 . 2 . . . . 56 GLY HA3 . 11293 1 590 . 1 1 56 56 GLY C C 13 172.233 0.300 . 1 . . . . 56 GLY C . 11293 1 591 . 1 1 56 56 GLY CA C 13 45.600 0.300 . 1 . . . . 56 GLY CA . 11293 1 592 . 1 1 56 56 GLY N N 15 104.973 0.300 . 1 . . . . 56 GLY N . 11293 1 593 . 1 1 57 57 LYS H H 1 7.903 0.030 . 1 . . . . 57 LYS H . 11293 1 594 . 1 1 57 57 LYS HA H 1 4.982 0.030 . 1 . . . . 57 LYS HA . 11293 1 595 . 1 1 57 57 LYS HB2 H 1 2.300 0.030 . 2 . . . . 57 LYS HB2 . 11293 1 596 . 1 1 57 57 LYS HB3 H 1 1.433 0.030 . 2 . . . . 57 LYS HB3 . 11293 1 597 . 1 1 57 57 LYS HD2 H 1 1.769 0.030 . 2 . . . . 57 LYS HD2 . 11293 1 598 . 1 1 57 57 LYS HD3 H 1 1.708 0.030 . 2 . . . . 57 LYS HD3 . 11293 1 599 . 1 1 57 57 LYS HE2 H 1 3.164 0.030 . 1 . . . . 57 LYS HE2 . 11293 1 600 . 1 1 57 57 LYS HE3 H 1 3.164 0.030 . 1 . . . . 57 LYS HE3 . 11293 1 601 . 1 1 57 57 LYS HG2 H 1 1.597 0.030 . 1 . . . . 57 LYS HG2 . 11293 1 602 . 1 1 57 57 LYS HG3 H 1 1.597 0.030 . 1 . . . . 57 LYS HG3 . 11293 1 603 . 1 1 57 57 LYS C C 13 173.875 0.300 . 1 . . . . 57 LYS C . 11293 1 604 . 1 1 57 57 LYS CA C 13 51.119 0.300 . 1 . . . . 57 LYS CA . 11293 1 605 . 1 1 57 57 LYS CB C 13 32.594 0.300 . 1 . . . . 57 LYS CB . 11293 1 606 . 1 1 57 57 LYS CD C 13 29.014 0.300 . 1 . . . . 57 LYS CD . 11293 1 607 . 1 1 57 57 LYS CE C 13 42.793 0.300 . 1 . . . . 57 LYS CE . 11293 1 608 . 1 1 57 57 LYS CG C 13 25.150 0.300 . 1 . . . . 57 LYS CG . 11293 1 609 . 1 1 57 57 LYS N N 15 117.160 0.300 . 1 . . . . 57 LYS N . 11293 1 610 . 1 1 58 58 PRO HA H 1 5.175 0.030 . 1 . . . . 58 PRO HA . 11293 1 611 . 1 1 58 58 PRO HB2 H 1 1.050 0.030 . 2 . . . . 58 PRO HB2 . 11293 1 612 . 1 1 58 58 PRO HB3 H 1 0.982 0.030 . 2 . . . . 58 PRO HB3 . 11293 1 613 . 1 1 58 58 PRO HD2 H 1 4.057 0.030 . 2 . . . . 58 PRO HD2 . 11293 1 614 . 1 1 58 58 PRO HD3 H 1 3.736 0.030 . 2 . . . . 58 PRO HD3 . 11293 1 615 . 1 1 58 58 PRO HG2 H 1 2.230 0.030 . 2 . . . . 58 PRO HG2 . 11293 1 616 . 1 1 58 58 PRO HG3 H 1 1.569 0.030 . 2 . . . . 58 PRO HG3 . 11293 1 617 . 1 1 58 58 PRO C C 13 174.486 0.300 . 1 . . . . 58 PRO C . 11293 1 618 . 1 1 58 58 PRO CA C 13 61.236 0.300 . 1 . . . . 58 PRO CA . 11293 1 619 . 1 1 58 58 PRO CB C 13 31.661 0.300 . 1 . . . . 58 PRO CB . 11293 1 620 . 1 1 58 58 PRO CD C 13 49.990 0.300 . 1 . . . . 58 PRO CD . 11293 1 621 . 1 1 58 58 PRO CG C 13 25.820 0.300 . 1 . . . . 58 PRO CG . 11293 1 622 . 1 1 59 59 PHE H H 1 7.869 0.030 . 1 . . . . 59 PHE H . 11293 1 623 . 1 1 59 59 PHE HA H 1 5.963 0.030 . 1 . . . . 59 PHE HA . 11293 1 624 . 1 1 59 59 PHE HB2 H 1 3.213 0.030 . 2 . . . . 59 PHE HB2 . 11293 1 625 . 1 1 59 59 PHE HB3 H 1 2.429 0.030 . 2 . . . . 59 PHE HB3 . 11293 1 626 . 1 1 59 59 PHE HD1 H 1 7.164 0.030 . 1 . . . . 59 PHE HD1 . 11293 1 627 . 1 1 59 59 PHE HD2 H 1 7.164 0.030 . 1 . . . . 59 PHE HD2 . 11293 1 628 . 1 1 59 59 PHE HE1 H 1 7.464 0.030 . 1 . . . . 59 PHE HE1 . 11293 1 629 . 1 1 59 59 PHE HE2 H 1 7.464 0.030 . 1 . . . . 59 PHE HE2 . 11293 1 630 . 1 1 59 59 PHE HZ H 1 7.560 0.030 . 1 . . . . 59 PHE HZ . 11293 1 631 . 1 1 59 59 PHE C C 13 175.697 0.300 . 1 . . . . 59 PHE C . 11293 1 632 . 1 1 59 59 PHE CA C 13 56.319 0.300 . 1 . . . . 59 PHE CA . 11293 1 633 . 1 1 59 59 PHE CB C 13 46.827 0.300 . 1 . . . . 59 PHE CB . 11293 1 634 . 1 1 59 59 PHE CD1 C 13 131.579 0.300 . 1 . . . . 59 PHE CD1 . 11293 1 635 . 1 1 59 59 PHE CD2 C 13 131.579 0.300 . 1 . . . . 59 PHE CD2 . 11293 1 636 . 1 1 59 59 PHE CE1 C 13 132.868 0.300 . 1 . . . . 59 PHE CE1 . 11293 1 637 . 1 1 59 59 PHE CE2 C 13 132.868 0.300 . 1 . . . . 59 PHE CE2 . 11293 1 638 . 1 1 59 59 PHE CZ C 13 129.722 0.300 . 1 . . . . 59 PHE CZ . 11293 1 639 . 1 1 59 59 PHE N N 15 115.387 0.300 . 1 . . . . 59 PHE N . 11293 1 640 . 1 1 60 60 CYS H H 1 9.192 0.030 . 1 . . . . 60 CYS H . 11293 1 641 . 1 1 60 60 CYS HA H 1 4.321 0.030 . 1 . . . . 60 CYS HA . 11293 1 642 . 1 1 60 60 CYS HB2 H 1 3.064 0.030 . 2 . . . . 60 CYS HB2 . 11293 1 643 . 1 1 60 60 CYS HB3 H 1 2.875 0.030 . 2 . . . . 60 CYS HB3 . 11293 1 644 . 1 1 60 60 CYS CA C 13 59.998 0.300 . 1 . . . . 60 CYS CA . 11293 1 645 . 1 1 60 60 CYS CB C 13 31.512 0.300 . 1 . . . . 60 CYS CB . 11293 1 646 . 1 1 60 60 CYS N N 15 124.256 0.300 . 1 . . . . 60 CYS N . 11293 1 647 . 1 1 61 61 HIS H H 1 9.094 0.030 . 1 . . . . 61 HIS H . 11293 1 648 . 1 1 61 61 HIS HA H 1 4.228 0.030 . 1 . . . . 61 HIS HA . 11293 1 649 . 1 1 61 61 HIS HB2 H 1 3.143 0.030 . 2 . . . . 61 HIS HB2 . 11293 1 650 . 1 1 61 61 HIS HB3 H 1 2.993 0.030 . 2 . . . . 61 HIS HB3 . 11293 1 651 . 1 1 61 61 HIS HD2 H 1 6.929 0.030 . 1 . . . . 61 HIS HD2 . 11293 1 652 . 1 1 61 61 HIS HE1 H 1 7.377 0.030 . 1 . . . . 61 HIS HE1 . 11293 1 653 . 1 1 61 61 HIS CA C 13 61.487 0.300 . 1 . . . . 61 HIS CA . 11293 1 654 . 1 1 61 61 HIS CB C 13 31.294 0.300 . 1 . . . . 61 HIS CB . 11293 1 655 . 1 1 61 61 HIS CD2 C 13 118.236 0.300 . 1 . . . . 61 HIS CD2 . 11293 1 656 . 1 1 61 61 HIS CE1 C 13 139.188 0.300 . 1 . . . . 61 HIS CE1 . 11293 1 657 . 1 1 61 61 HIS N N 15 122.372 0.300 . 1 . . . . 61 HIS N . 11293 1 658 . 1 1 62 62 LYS H H 1 8.164 0.030 . 1 . . . . 62 LYS H . 11293 1 659 . 1 1 62 62 LYS HA H 1 4.741 0.030 . 1 . . . . 62 LYS HA . 11293 1 660 . 1 1 62 62 LYS HB2 H 1 1.844 0.030 . 2 . . . . 62 LYS HB2 . 11293 1 661 . 1 1 62 62 LYS HB3 H 1 1.730 0.030 . 2 . . . . 62 LYS HB3 . 11293 1 662 . 1 1 62 62 LYS HD2 H 1 1.666 0.030 . 1 . . . . 62 LYS HD2 . 11293 1 663 . 1 1 62 62 LYS HD3 H 1 1.666 0.030 . 1 . . . . 62 LYS HD3 . 11293 1 664 . 1 1 62 62 LYS HE2 H 1 2.951 0.030 . 1 . . . . 62 LYS HE2 . 11293 1 665 . 1 1 62 62 LYS HE3 H 1 2.951 0.030 . 1 . . . . 62 LYS HE3 . 11293 1 666 . 1 1 62 62 LYS HG2 H 1 1.393 0.030 . 1 . . . . 62 LYS HG2 . 11293 1 667 . 1 1 62 62 LYS HG3 H 1 1.393 0.030 . 1 . . . . 62 LYS HG3 . 11293 1 668 . 1 1 62 62 LYS CA C 13 53.366 0.300 . 1 . . . . 62 LYS CA . 11293 1 669 . 1 1 62 62 LYS CB C 13 35.483 0.300 . 1 . . . . 62 LYS CB . 11293 1 670 . 1 1 62 62 LYS CD C 13 29.451 0.300 . 1 . . . . 62 LYS CD . 11293 1 671 . 1 1 62 62 LYS CE C 13 42.078 0.300 . 1 . . . . 62 LYS CE . 11293 1 672 . 1 1 62 62 LYS CG C 13 25.080 0.300 . 1 . . . . 62 LYS CG . 11293 1 673 . 1 1 62 62 LYS N N 15 114.389 0.300 . 1 . . . . 62 LYS N . 11293 1 674 . 1 1 63 63 PRO HA H 1 4.860 0.030 . 1 . . . . 63 PRO HA . 11293 1 675 . 1 1 63 63 PRO HB2 H 1 2.429 0.030 . 2 . . . . 63 PRO HB2 . 11293 1 676 . 1 1 63 63 PRO HB3 H 1 2.085 0.030 . 2 . . . . 63 PRO HB3 . 11293 1 677 . 1 1 63 63 PRO HD2 H 1 4.079 0.030 . 2 . . . . 63 PRO HD2 . 11293 1 678 . 1 1 63 63 PRO HD3 H 1 3.613 0.030 . 2 . . . . 63 PRO HD3 . 11293 1 679 . 1 1 63 63 PRO HG2 H 1 2.097 0.030 . 2 . . . . 63 PRO HG2 . 11293 1 680 . 1 1 63 63 PRO HG3 H 1 2.023 0.030 . 2 . . . . 63 PRO HG3 . 11293 1 681 . 1 1 63 63 PRO C C 13 180.026 0.300 . 1 . . . . 63 PRO C . 11293 1 682 . 1 1 63 63 PRO CA C 13 64.525 0.300 . 1 . . . . 63 PRO CA . 11293 1 683 . 1 1 63 63 PRO CB C 13 34.520 0.300 . 1 . . . . 63 PRO CB . 11293 1 684 . 1 1 63 63 PRO CD C 13 49.908 0.300 . 1 . . . . 63 PRO CD . 11293 1 685 . 1 1 63 63 PRO CG C 13 24.794 0.300 . 1 . . . . 63 PRO CG . 11293 1 686 . 1 1 64 64 CYS H H 1 7.767 0.030 . 1 . . . . 64 CYS H . 11293 1 687 . 1 1 64 64 CYS HA H 1 3.606 0.030 . 1 . . . . 64 CYS HA . 11293 1 688 . 1 1 64 64 CYS HB2 H 1 3.387 0.030 . 2 . . . . 64 CYS HB2 . 11293 1 689 . 1 1 64 64 CYS HB3 H 1 2.907 0.030 . 2 . . . . 64 CYS HB3 . 11293 1 690 . 1 1 64 64 CYS C C 13 175.614 0.300 . 1 . . . . 64 CYS C . 11293 1 691 . 1 1 64 64 CYS CA C 13 64.685 0.300 . 1 . . . . 64 CYS CA . 11293 1 692 . 1 1 64 64 CYS CB C 13 31.004 0.300 . 1 . . . . 64 CYS CB . 11293 1 693 . 1 1 64 64 CYS N N 15 123.698 0.300 . 1 . . . . 64 CYS N . 11293 1 694 . 1 1 65 65 TYR H H 1 8.895 0.030 . 1 . . . . 65 TYR H . 11293 1 695 . 1 1 65 65 TYR HA H 1 3.670 0.030 . 1 . . . . 65 TYR HA . 11293 1 696 . 1 1 65 65 TYR HB2 H 1 3.344 0.030 . 2 . . . . 65 TYR HB2 . 11293 1 697 . 1 1 65 65 TYR HB3 H 1 2.886 0.030 . 2 . . . . 65 TYR HB3 . 11293 1 698 . 1 1 65 65 TYR HD1 H 1 6.781 0.030 . 1 . . . . 65 TYR HD1 . 11293 1 699 . 1 1 65 65 TYR HD2 H 1 6.781 0.030 . 1 . . . . 65 TYR HD2 . 11293 1 700 . 1 1 65 65 TYR HE1 H 1 6.702 0.030 . 1 . . . . 65 TYR HE1 . 11293 1 701 . 1 1 65 65 TYR HE2 H 1 6.702 0.030 . 1 . . . . 65 TYR HE2 . 11293 1 702 . 1 1 65 65 TYR C C 13 177.049 0.300 . 1 . . . . 65 TYR C . 11293 1 703 . 1 1 65 65 TYR CA C 13 62.032 0.300 . 1 . . . . 65 TYR CA . 11293 1 704 . 1 1 65 65 TYR CB C 13 39.019 0.300 . 1 . . . . 65 TYR CB . 11293 1 705 . 1 1 65 65 TYR CD1 C 13 133.436 0.300 . 1 . . . . 65 TYR CD1 . 11293 1 706 . 1 1 65 65 TYR CD2 C 13 133.436 0.300 . 1 . . . . 65 TYR CD2 . 11293 1 707 . 1 1 65 65 TYR CE1 C 13 118.210 0.300 . 1 . . . . 65 TYR CE1 . 11293 1 708 . 1 1 65 65 TYR CE2 C 13 118.210 0.300 . 1 . . . . 65 TYR CE2 . 11293 1 709 . 1 1 65 65 TYR N N 15 118.992 0.300 . 1 . . . . 65 TYR N . 11293 1 710 . 1 1 66 66 ALA H H 1 7.190 0.030 . 1 . . . . 66 ALA H . 11293 1 711 . 1 1 66 66 ALA HA H 1 4.100 0.030 . 1 . . . . 66 ALA HA . 11293 1 712 . 1 1 66 66 ALA HB1 H 1 1.529 0.030 . 1 . . . . 66 ALA HB . 11293 1 713 . 1 1 66 66 ALA HB2 H 1 1.529 0.030 . 1 . . . . 66 ALA HB . 11293 1 714 . 1 1 66 66 ALA HB3 H 1 1.529 0.030 . 1 . . . . 66 ALA HB . 11293 1 715 . 1 1 66 66 ALA C C 13 179.813 0.300 . 1 . . . . 66 ALA C . 11293 1 716 . 1 1 66 66 ALA CA C 13 54.904 0.300 . 1 . . . . 66 ALA CA . 11293 1 717 . 1 1 66 66 ALA CB C 13 18.462 0.300 . 1 . . . . 66 ALA CB . 11293 1 718 . 1 1 66 66 ALA N N 15 118.170 0.300 . 1 . . . . 66 ALA N . 11293 1 719 . 1 1 67 67 THR H H 1 8.037 0.030 . 1 . . . . 67 THR H . 11293 1 720 . 1 1 67 67 THR HA H 1 3.948 0.030 . 1 . . . . 67 THR HA . 11293 1 721 . 1 1 67 67 THR HB H 1 4.081 0.030 . 1 . . . . 67 THR HB . 11293 1 722 . 1 1 67 67 THR HG21 H 1 1.123 0.030 . 1 . . . . 67 THR HG2 . 11293 1 723 . 1 1 67 67 THR HG22 H 1 1.123 0.030 . 1 . . . . 67 THR HG2 . 11293 1 724 . 1 1 67 67 THR HG23 H 1 1.123 0.030 . 1 . . . . 67 THR HG2 . 11293 1 725 . 1 1 67 67 THR C C 13 175.418 0.300 . 1 . . . . 67 THR C . 11293 1 726 . 1 1 67 67 THR CA C 13 65.039 0.300 . 1 . . . . 67 THR CA . 11293 1 727 . 1 1 67 67 THR CB C 13 69.390 0.300 . 1 . . . . 67 THR CB . 11293 1 728 . 1 1 67 67 THR CG2 C 13 20.917 0.300 . 1 . . . . 67 THR CG2 . 11293 1 729 . 1 1 67 67 THR N N 15 110.865 0.300 . 1 . . . . 67 THR N . 11293 1 730 . 1 1 68 68 LEU H H 1 7.188 0.030 . 1 . . . . 68 LEU H . 11293 1 731 . 1 1 68 68 LEU HA H 1 3.654 0.030 . 1 . . . . 68 LEU HA . 11293 1 732 . 1 1 68 68 LEU HB2 H 1 0.599 0.030 . 2 . . . . 68 LEU HB2 . 11293 1 733 . 1 1 68 68 LEU HB3 H 1 -0.188 0.030 . 2 . . . . 68 LEU HB3 . 11293 1 734 . 1 1 68 68 LEU HD11 H 1 0.332 0.030 . 1 . . . . 68 LEU HD1 . 11293 1 735 . 1 1 68 68 LEU HD12 H 1 0.332 0.030 . 1 . . . . 68 LEU HD1 . 11293 1 736 . 1 1 68 68 LEU HD13 H 1 0.332 0.030 . 1 . . . . 68 LEU HD1 . 11293 1 737 . 1 1 68 68 LEU HD21 H 1 0.400 0.030 . 1 . . . . 68 LEU HD2 . 11293 1 738 . 1 1 68 68 LEU HD22 H 1 0.400 0.030 . 1 . . . . 68 LEU HD2 . 11293 1 739 . 1 1 68 68 LEU HD23 H 1 0.400 0.030 . 1 . . . . 68 LEU HD2 . 11293 1 740 . 1 1 68 68 LEU HG H 1 1.091 0.030 . 1 . . . . 68 LEU HG . 11293 1 741 . 1 1 68 68 LEU C C 13 178.002 0.300 . 1 . . . . 68 LEU C . 11293 1 742 . 1 1 68 68 LEU CA C 13 56.849 0.300 . 1 . . . . 68 LEU CA . 11293 1 743 . 1 1 68 68 LEU CB C 13 42.107 0.300 . 1 . . . . 68 LEU CB . 11293 1 744 . 1 1 68 68 LEU CD1 C 13 25.612 0.300 . 2 . . . . 68 LEU CD1 . 11293 1 745 . 1 1 68 68 LEU CD2 C 13 22.488 0.300 . 2 . . . . 68 LEU CD2 . 11293 1 746 . 1 1 68 68 LEU CG C 13 26.471 0.300 . 1 . . . . 68 LEU CG . 11293 1 747 . 1 1 68 68 LEU N N 15 120.987 0.300 . 1 . . . . 68 LEU N . 11293 1 748 . 1 1 69 69 PHE H H 1 7.757 0.030 . 1 . . . . 69 PHE H . 11293 1 749 . 1 1 69 69 PHE HA H 1 4.535 0.030 . 1 . . . . 69 PHE HA . 11293 1 750 . 1 1 69 69 PHE HB2 H 1 2.863 0.030 . 2 . . . . 69 PHE HB2 . 11293 1 751 . 1 1 69 69 PHE HB3 H 1 1.624 0.030 . 2 . . . . 69 PHE HB3 . 11293 1 752 . 1 1 69 69 PHE HD1 H 1 6.377 0.030 . 1 . . . . 69 PHE HD1 . 11293 1 753 . 1 1 69 69 PHE HD2 H 1 6.377 0.030 . 1 . . . . 69 PHE HD2 . 11293 1 754 . 1 1 69 69 PHE HE1 H 1 6.158 0.030 . 1 . . . . 69 PHE HE1 . 11293 1 755 . 1 1 69 69 PHE HE2 H 1 6.158 0.030 . 1 . . . . 69 PHE HE2 . 11293 1 756 . 1 1 69 69 PHE HZ H 1 6.652 0.030 . 1 . . . . 69 PHE HZ . 11293 1 757 . 1 1 69 69 PHE C C 13 176.453 0.300 . 1 . . . . 69 PHE C . 11293 1 758 . 1 1 69 69 PHE CA C 13 56.831 0.300 . 1 . . . . 69 PHE CA . 11293 1 759 . 1 1 69 69 PHE CB C 13 39.512 0.300 . 1 . . . . 69 PHE CB . 11293 1 760 . 1 1 69 69 PHE CD1 C 13 131.718 0.300 . 1 . . . . 69 PHE CD1 . 11293 1 761 . 1 1 69 69 PHE CD2 C 13 131.718 0.300 . 1 . . . . 69 PHE CD2 . 11293 1 762 . 1 1 69 69 PHE CE1 C 13 130.229 0.300 . 1 . . . . 69 PHE CE1 . 11293 1 763 . 1 1 69 69 PHE CE2 C 13 130.229 0.300 . 1 . . . . 69 PHE CE2 . 11293 1 764 . 1 1 69 69 PHE CZ C 13 129.155 0.300 . 1 . . . . 69 PHE CZ . 11293 1 765 . 1 1 69 69 PHE N N 15 114.683 0.300 . 1 . . . . 69 PHE N . 11293 1 766 . 1 1 70 70 GLY H H 1 7.514 0.030 . 1 . . . . 70 GLY H . 11293 1 767 . 1 1 70 70 GLY HA2 H 1 4.077 0.030 . 2 . . . . 70 GLY HA2 . 11293 1 768 . 1 1 70 70 GLY HA3 H 1 4.041 0.030 . 2 . . . . 70 GLY HA3 . 11293 1 769 . 1 1 70 70 GLY C C 13 174.130 0.300 . 1 . . . . 70 GLY C . 11293 1 770 . 1 1 70 70 GLY CA C 13 45.596 0.300 . 1 . . . . 70 GLY CA . 11293 1 771 . 1 1 70 70 GLY N N 15 108.911 0.300 . 1 . . . . 70 GLY N . 11293 1 772 . 1 1 71 71 SER H H 1 8.332 0.030 . 1 . . . . 71 SER H . 11293 1 773 . 1 1 71 71 SER HA H 1 4.535 0.030 . 1 . . . . 71 SER HA . 11293 1 774 . 1 1 71 71 SER HB2 H 1 3.883 0.030 . 1 . . . . 71 SER HB2 . 11293 1 775 . 1 1 71 71 SER HB3 H 1 3.883 0.030 . 1 . . . . 71 SER HB3 . 11293 1 776 . 1 1 71 71 SER C C 13 174.737 0.300 . 1 . . . . 71 SER C . 11293 1 777 . 1 1 71 71 SER CA C 13 58.282 0.300 . 1 . . . . 71 SER CA . 11293 1 778 . 1 1 71 71 SER CB C 13 63.980 0.300 . 1 . . . . 71 SER CB . 11293 1 779 . 1 1 71 71 SER N N 15 115.436 0.300 . 1 . . . . 71 SER N . 11293 1 780 . 1 1 72 72 GLY H H 1 8.263 0.030 . 1 . . . . 72 GLY H . 11293 1 781 . 1 1 72 72 GLY HA2 H 1 4.125 0.030 . 1 . . . . 72 GLY HA2 . 11293 1 782 . 1 1 72 72 GLY HA3 H 1 4.125 0.030 . 1 . . . . 72 GLY HA3 . 11293 1 783 . 1 1 72 72 GLY C C 13 171.932 0.300 . 1 . . . . 72 GLY C . 11293 1 784 . 1 1 72 72 GLY CA C 13 44.681 0.300 . 1 . . . . 72 GLY CA . 11293 1 785 . 1 1 72 72 GLY N N 15 110.663 0.300 . 1 . . . . 72 GLY N . 11293 1 786 . 1 1 73 73 PRO HA H 1 4.459 0.030 . 1 . . . . 73 PRO HA . 11293 1 787 . 1 1 73 73 PRO HB2 H 1 2.270 0.030 . 2 . . . . 73 PRO HB2 . 11293 1 788 . 1 1 73 73 PRO HB3 H 1 1.966 0.030 . 2 . . . . 73 PRO HB3 . 11293 1 789 . 1 1 73 73 PRO HD2 H 1 3.618 0.030 . 1 . . . . 73 PRO HD2 . 11293 1 790 . 1 1 73 73 PRO HD3 H 1 3.618 0.030 . 1 . . . . 73 PRO HD3 . 11293 1 791 . 1 1 73 73 PRO HG2 H 1 2.000 0.030 . 1 . . . . 73 PRO HG2 . 11293 1 792 . 1 1 73 73 PRO HG3 H 1 2.000 0.030 . 1 . . . . 73 PRO HG3 . 11293 1 793 . 1 1 73 73 PRO C C 13 177.392 0.300 . 1 . . . . 73 PRO C . 11293 1 794 . 1 1 73 73 PRO CA C 13 63.323 0.300 . 1 . . . . 73 PRO CA . 11293 1 795 . 1 1 73 73 PRO CB C 13 32.154 0.300 . 1 . . . . 73 PRO CB . 11293 1 796 . 1 1 73 73 PRO CD C 13 49.825 0.300 . 1 . . . . 73 PRO CD . 11293 1 797 . 1 1 73 73 PRO CG C 13 27.163 0.300 . 1 . . . . 73 PRO CG . 11293 1 798 . 1 1 74 74 SER H H 1 8.505 0.030 . 1 . . . . 74 SER H . 11293 1 799 . 1 1 74 74 SER HA H 1 4.477 0.030 . 1 . . . . 74 SER HA . 11293 1 800 . 1 1 74 74 SER HB2 H 1 3.863 0.030 . 1 . . . . 74 SER HB2 . 11293 1 801 . 1 1 74 74 SER HB3 H 1 3.863 0.030 . 1 . . . . 74 SER HB3 . 11293 1 802 . 1 1 74 74 SER C C 13 174.677 0.300 . 1 . . . . 74 SER C . 11293 1 803 . 1 1 74 74 SER CA C 13 58.335 0.300 . 1 . . . . 74 SER CA . 11293 1 804 . 1 1 74 74 SER CB C 13 63.906 0.300 . 1 . . . . 74 SER CB . 11293 1 805 . 1 1 74 74 SER N N 15 116.381 0.300 . 1 . . . . 74 SER N . 11293 1 stop_ save_