data_11321 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11321 _Entry.Title ; Solution Structure of the IBR domain of the RING finger protein 31 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-10 _Entry.Accession_date 2010-08-10 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 K. Miyamoto . . . 11321 2 S. Koshiba . . . 11321 3 T. Tomizawa . . . 11321 4 M. Inoue . . . 11321 5 T. Kigawa . . . 11321 6 S. Yokoyama . . . 11321 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)' . 11321 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11321 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 355 11321 '15N chemical shifts' 80 11321 '1H chemical shifts' 540 11321 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-19 2010-08-10 original author . 11321 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CT7 'BMRB Entry Tracking System' 11321 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11321 _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 IBR domain of the RING finger protein 31 protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 K. Miyamoto . . . 11321 1 2 S. Koshiba . . . 11321 1 3 T. Tomizawa . . . 11321 1 4 M. Inoue . . . 11321 1 5 T. Kigawa . . . 11321 1 6 S. Yokoyama . . . 11321 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11321 _Assembly.ID 1 _Assembly.Name 'RING finger protein 31' _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 'IBR domain' 1 $entity_1 A . yes native no no . . . 11321 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11321 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11321 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 'IBR domain' 1 CYS 28 28 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 28 CYS SG . . . . ZN 11321 1 2 coordination single . 1 'IBR domain' 1 CYS 31 31 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 31 CYS SG . . . . ZN 11321 1 3 coordination single . 1 'IBR domain' 1 CYS 46 46 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 46 CYS SG . . . . ZN 11321 1 4 coordination single . 1 'IBR domain' 1 CYS 49 49 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 49 CYS SG . . . . ZN 11321 1 5 coordination single . 1 'IBR domain' 1 CYS 54 54 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 54 CYS SG . . . . ZN 11321 1 6 coordination single . 1 'IBR domain' 1 CYS 57 57 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 57 CYS SG . . . . ZN 11321 1 7 coordination single . 1 'IBR domain' 1 HIS 65 65 NE2 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 65 HIS NE2 . . . . ZN 11321 1 8 coordination single . 1 'IBR domain' 1 CYS 70 70 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 70 CYS SG . . . . ZN 11321 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 HIS 65 65 HE2 . 65 HIS HE2 11321 1 . . 1 1 CYS 70 70 HG . 70 CYS HG 11321 1 . . 1 1 CYS 54 54 HG . 54 CYS HG 11321 1 . . 1 1 CYS 57 57 HG . 57 CYS HG 11321 1 . . 1 1 CYS 46 46 HG . 46 CYS HG 11321 1 . . 1 1 CYS 49 49 HG . 49 CYS HG 11321 1 . . 1 1 CYS 28 28 HG . 28 CYS HG 11321 1 . . 1 1 CYS 31 31 HG . 31 CYS HG 11321 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 2ct7 . . . . . . 11321 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11321 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'IBR 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 ; GSSGSSGALFHKKLTEGVLM RDPKFLWCAQCSFGFIYERE QLEATCPQCHQTFCVRCKRQ WEEQHRGRSCEDFQNWKRMN SGPSSG ; _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 86 _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 2CT7 . "Solution Structure Of The Ibr Domain Of The Ring Finger Protein 31 Protein" . . . . . 100.00 86 100.00 100.00 5.75e-56 . . . . 11321 1 2 no DBJ BAB15675 . "unnamed protein product [Homo sapiens]" . . . . . 86.05 540 98.65 98.65 6.07e-44 . . . . 11321 1 3 no DBJ BAB70948 . "unnamed protein product [Homo sapiens]" . . . . . 86.05 642 98.65 98.65 3.21e-44 . . . . 11321 1 4 no DBJ BAB84970 . "FLJ00217 protein [Homo sapiens]" . . . . . 86.05 547 98.65 98.65 4.12e-44 . . . . 11321 1 5 no DBJ BAF35583 . "ubiquitin ligase [Homo sapiens]" . . . . . 86.05 1072 98.65 98.65 1.40e-43 . . . . 11321 1 6 no DBJ BAF83936 . "unnamed protein product [Homo sapiens]" . . . . . 86.05 1072 98.65 98.65 1.40e-43 . . . . 11321 1 7 no GB AAH09821 . "RNF31 protein, partial [Homo sapiens]" . . . . . 86.05 606 98.65 98.65 4.46e-44 . . . . 11321 1 8 no GB AAH12077 . "Ring finger protein 31 [Homo sapiens]" . . . . . 86.05 1072 98.65 98.65 1.40e-43 . . . . 11321 1 9 no GB AAH17376 . "RNF31 protein, partial [Homo sapiens]" . . . . . 86.05 603 98.65 98.65 4.67e-44 . . . . 11321 1 10 no GB AAP12522 . "zinc in-between-ring-finger ubiquitin-associated domain [Homo sapiens]" . . . . . 86.05 921 98.65 98.65 1.89e-43 . . . . 11321 1 11 no GB AIC60278 . "RNF31, partial [synthetic construct]" . . . . . 86.05 589 98.65 98.65 4.12e-44 . . . . 11321 1 12 no REF NP_001297261 . "E3 ubiquitin-protein ligase RNF31 isoform 2 [Homo sapiens]" . . . . . 86.05 921 98.65 98.65 1.90e-43 . . . . 11321 1 13 no REF NP_060469 . "E3 ubiquitin-protein ligase RNF31 isoform 1 [Homo sapiens]" . . . . . 86.05 1072 98.65 98.65 1.40e-43 . . . . 11321 1 14 no REF XP_001112195 . "PREDICTED: RING finger protein 31-like isoform 7 [Macaca mulatta]" . . . . . 86.05 1072 98.65 98.65 1.31e-43 . . . . 11321 1 15 no REF XP_001166671 . "PREDICTED: E3 ubiquitin-protein ligase RNF31 isoform X2 [Pan troglodytes]" . . . . . 86.05 1072 98.65 98.65 1.39e-43 . . . . 11321 1 16 no REF XP_001490713 . "PREDICTED: E3 ubiquitin-protein ligase RNF31 isoform X1 [Equus caballus]" . . . . . 86.05 1071 97.30 97.30 1.82e-42 . . . . 11321 1 17 no SP Q96EP0 . "RecName: Full=E3 ubiquitin-protein ligase RNF31; AltName: Full=HOIL-1-interacting protein; Short=HOIP; AltName: Full=RING finge" . . . . . 86.05 1072 98.65 98.65 1.40e-43 . . . . 11321 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'IBR domain' . 11321 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 . 11321 1 2 . SER . 11321 1 3 . SER . 11321 1 4 . GLY . 11321 1 5 . SER . 11321 1 6 . SER . 11321 1 7 . GLY . 11321 1 8 . ALA . 11321 1 9 . LEU . 11321 1 10 . PHE . 11321 1 11 . HIS . 11321 1 12 . LYS . 11321 1 13 . LYS . 11321 1 14 . LEU . 11321 1 15 . THR . 11321 1 16 . GLU . 11321 1 17 . GLY . 11321 1 18 . VAL . 11321 1 19 . LEU . 11321 1 20 . MET . 11321 1 21 . ARG . 11321 1 22 . ASP . 11321 1 23 . PRO . 11321 1 24 . LYS . 11321 1 25 . PHE . 11321 1 26 . LEU . 11321 1 27 . TRP . 11321 1 28 . CYS . 11321 1 29 . ALA . 11321 1 30 . GLN . 11321 1 31 . CYS . 11321 1 32 . SER . 11321 1 33 . PHE . 11321 1 34 . GLY . 11321 1 35 . PHE . 11321 1 36 . ILE . 11321 1 37 . TYR . 11321 1 38 . GLU . 11321 1 39 . ARG . 11321 1 40 . GLU . 11321 1 41 . GLN . 11321 1 42 . LEU . 11321 1 43 . GLU . 11321 1 44 . ALA . 11321 1 45 . THR . 11321 1 46 . CYS . 11321 1 47 . PRO . 11321 1 48 . GLN . 11321 1 49 . CYS . 11321 1 50 . HIS . 11321 1 51 . GLN . 11321 1 52 . THR . 11321 1 53 . PHE . 11321 1 54 . CYS . 11321 1 55 . VAL . 11321 1 56 . ARG . 11321 1 57 . CYS . 11321 1 58 . LYS . 11321 1 59 . ARG . 11321 1 60 . GLN . 11321 1 61 . TRP . 11321 1 62 . GLU . 11321 1 63 . GLU . 11321 1 64 . GLN . 11321 1 65 . HIS . 11321 1 66 . ARG . 11321 1 67 . GLY . 11321 1 68 . ARG . 11321 1 69 . SER . 11321 1 70 . CYS . 11321 1 71 . GLU . 11321 1 72 . ASP . 11321 1 73 . PHE . 11321 1 74 . GLN . 11321 1 75 . ASN . 11321 1 76 . TRP . 11321 1 77 . LYS . 11321 1 78 . ARG . 11321 1 79 . MET . 11321 1 80 . ASN . 11321 1 81 . SER . 11321 1 82 . GLY . 11321 1 83 . PRO . 11321 1 84 . SER . 11321 1 85 . SER . 11321 1 86 . GLY . 11321 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 11321 1 . SER 2 2 11321 1 . SER 3 3 11321 1 . GLY 4 4 11321 1 . SER 5 5 11321 1 . SER 6 6 11321 1 . GLY 7 7 11321 1 . ALA 8 8 11321 1 . LEU 9 9 11321 1 . PHE 10 10 11321 1 . HIS 11 11 11321 1 . LYS 12 12 11321 1 . LYS 13 13 11321 1 . LEU 14 14 11321 1 . THR 15 15 11321 1 . GLU 16 16 11321 1 . GLY 17 17 11321 1 . VAL 18 18 11321 1 . LEU 19 19 11321 1 . MET 20 20 11321 1 . ARG 21 21 11321 1 . ASP 22 22 11321 1 . PRO 23 23 11321 1 . LYS 24 24 11321 1 . PHE 25 25 11321 1 . LEU 26 26 11321 1 . TRP 27 27 11321 1 . CYS 28 28 11321 1 . ALA 29 29 11321 1 . GLN 30 30 11321 1 . CYS 31 31 11321 1 . SER 32 32 11321 1 . PHE 33 33 11321 1 . GLY 34 34 11321 1 . PHE 35 35 11321 1 . ILE 36 36 11321 1 . TYR 37 37 11321 1 . GLU 38 38 11321 1 . ARG 39 39 11321 1 . GLU 40 40 11321 1 . GLN 41 41 11321 1 . LEU 42 42 11321 1 . GLU 43 43 11321 1 . ALA 44 44 11321 1 . THR 45 45 11321 1 . CYS 46 46 11321 1 . PRO 47 47 11321 1 . GLN 48 48 11321 1 . CYS 49 49 11321 1 . HIS 50 50 11321 1 . GLN 51 51 11321 1 . THR 52 52 11321 1 . PHE 53 53 11321 1 . CYS 54 54 11321 1 . VAL 55 55 11321 1 . ARG 56 56 11321 1 . CYS 57 57 11321 1 . LYS 58 58 11321 1 . ARG 59 59 11321 1 . GLN 60 60 11321 1 . TRP 61 61 11321 1 . GLU 62 62 11321 1 . GLU 63 63 11321 1 . GLN 64 64 11321 1 . HIS 65 65 11321 1 . ARG 66 66 11321 1 . GLY 67 67 11321 1 . ARG 68 68 11321 1 . SER 69 69 11321 1 . CYS 70 70 11321 1 . GLU 71 71 11321 1 . ASP 72 72 11321 1 . PHE 73 73 11321 1 . GLN 74 74 11321 1 . ASN 75 75 11321 1 . TRP 76 76 11321 1 . LYS 77 77 11321 1 . ARG 78 78 11321 1 . MET 79 79 11321 1 . ASN 80 80 11321 1 . SER 81 81 11321 1 . GLY 82 82 11321 1 . PRO 83 83 11321 1 . SER 84 84 11321 1 . SER 85 85 11321 1 . GLY 86 86 11321 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11321 _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 . 11321 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 11321 _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 . . . . . . . . . . . . . . . . . . . . . 11321 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 11321 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P040816-13 . . . . . . 11321 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 11321 _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 11321 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11321 ZN [Zn++] SMILES CACTVS 3.341 11321 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11321 ZN [Zn+2] SMILES ACDLabs 10.04 11321 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11321 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11321 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 11321 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11321 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 . 11321 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11321 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.55mM IBR domain {U-13C,15N;} 20mM {d-Tris-HCl;} 200mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.01mM {ZnCl2;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'IBR domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.55 . . mM . . . . 11321 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11321 1 3 NaCl 'natural abundance' . . . . . salt 200 . . mM . . . . 11321 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11321 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11321 1 6 ZnCl2 'natural abundance' . . . . . salt 0.01 . . mM . . . . 11321 1 7 H2O . . . . . . solvent 90 . . % . . . . 11321 1 8 D2O . . . . . . solvent 10 . . % . . . . 11321 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 11321 _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' 220 0.1 mM 11321 1 pH 7.0 0.05 pH 11321 1 pressure 1 0.001 atm 11321 1 temperature 298 0.1 K 11321 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11321 _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 . . 11321 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11321 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11321 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11321 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11321 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11321 _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.' . . 11321 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11321 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11321 _Software.ID 4 _Software.Name Kujira _Software.Version 0.925 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11321 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11321 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11321 _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.' . . 11321 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11321 5 'structure solution' 11321 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 11321 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11321 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11321 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 11321 _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 . . . . . . . . . . . . . . . . 11321 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11321 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 11321 _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 . . . . . . . . . 11321 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11321 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11321 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 11321 _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 11321 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11321 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 . . 11321 1 2 $NMRPipe . . 11321 1 3 $NMRView . . 11321 1 4 $Kujira . . 11321 1 5 $CYANA . . 11321 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 6 6 SER HA H 1 4.438 0.030 . 1 . . . . 6 SER HA . 11321 1 2 . 1 1 6 6 SER HB2 H 1 3.885 0.030 . 1 . . . . 6 SER HB2 . 11321 1 3 . 1 1 6 6 SER HB3 H 1 3.885 0.030 . 1 . . . . 6 SER HB3 . 11321 1 4 . 1 1 6 6 SER C C 13 175.183 0.300 . 1 . . . . 6 SER C . 11321 1 5 . 1 1 6 6 SER CA C 13 58.926 0.300 . 1 . . . . 6 SER CA . 11321 1 6 . 1 1 6 6 SER CB C 13 63.661 0.300 . 1 . . . . 6 SER CB . 11321 1 7 . 1 1 7 7 GLY H H 1 8.385 0.030 . 1 . . . . 7 GLY H . 11321 1 8 . 1 1 7 7 GLY HA2 H 1 3.967 0.030 . 1 . . . . 7 GLY HA2 . 11321 1 9 . 1 1 7 7 GLY HA3 H 1 3.967 0.030 . 1 . . . . 7 GLY HA3 . 11321 1 10 . 1 1 7 7 GLY C C 13 174.093 0.300 . 1 . . . . 7 GLY C . 11321 1 11 . 1 1 7 7 GLY CA C 13 45.476 0.300 . 1 . . . . 7 GLY CA . 11321 1 12 . 1 1 7 7 GLY N N 15 110.901 0.300 . 1 . . . . 7 GLY N . 11321 1 13 . 1 1 8 8 ALA H H 1 8.081 0.030 . 1 . . . . 8 ALA H . 11321 1 14 . 1 1 8 8 ALA HA H 1 4.215 0.030 . 1 . . . . 8 ALA HA . 11321 1 15 . 1 1 8 8 ALA HB1 H 1 1.303 0.030 . 1 . . . . 8 ALA HB . 11321 1 16 . 1 1 8 8 ALA HB2 H 1 1.303 0.030 . 1 . . . . 8 ALA HB . 11321 1 17 . 1 1 8 8 ALA HB3 H 1 1.303 0.030 . 1 . . . . 8 ALA HB . 11321 1 18 . 1 1 8 8 ALA C C 13 177.921 0.300 . 1 . . . . 8 ALA C . 11321 1 19 . 1 1 8 8 ALA CA C 13 52.844 0.300 . 1 . . . . 8 ALA CA . 11321 1 20 . 1 1 8 8 ALA CB C 13 19.138 0.300 . 1 . . . . 8 ALA CB . 11321 1 21 . 1 1 8 8 ALA N N 15 123.630 0.300 . 1 . . . . 8 ALA N . 11321 1 22 . 1 1 9 9 LEU H H 1 8.093 0.030 . 1 . . . . 9 LEU H . 11321 1 23 . 1 1 9 9 LEU HA H 1 4.215 0.030 . 1 . . . . 9 LEU HA . 11321 1 24 . 1 1 9 9 LEU HB2 H 1 1.371 0.030 . 2 . . . . 9 LEU HB2 . 11321 1 25 . 1 1 9 9 LEU HB3 H 1 1.498 0.030 . 2 . . . . 9 LEU HB3 . 11321 1 26 . 1 1 9 9 LEU HD11 H 1 0.864 0.030 . 1 . . . . 9 LEU HD1 . 11321 1 27 . 1 1 9 9 LEU HD12 H 1 0.864 0.030 . 1 . . . . 9 LEU HD1 . 11321 1 28 . 1 1 9 9 LEU HD13 H 1 0.864 0.030 . 1 . . . . 9 LEU HD1 . 11321 1 29 . 1 1 9 9 LEU HD21 H 1 0.809 0.030 . 1 . . . . 9 LEU HD2 . 11321 1 30 . 1 1 9 9 LEU HD22 H 1 0.809 0.030 . 1 . . . . 9 LEU HD2 . 11321 1 31 . 1 1 9 9 LEU HD23 H 1 0.809 0.030 . 1 . . . . 9 LEU HD2 . 11321 1 32 . 1 1 9 9 LEU HG H 1 1.513 0.030 . 1 . . . . 9 LEU HG . 11321 1 33 . 1 1 9 9 LEU C C 13 177.182 0.300 . 1 . . . . 9 LEU C . 11321 1 34 . 1 1 9 9 LEU CA C 13 55.410 0.300 . 1 . . . . 9 LEU CA . 11321 1 35 . 1 1 9 9 LEU CB C 13 42.243 0.300 . 1 . . . . 9 LEU CB . 11321 1 36 . 1 1 9 9 LEU CD1 C 13 24.960 0.300 . 2 . . . . 9 LEU CD1 . 11321 1 37 . 1 1 9 9 LEU CD2 C 13 23.537 0.300 . 2 . . . . 9 LEU CD2 . 11321 1 38 . 1 1 9 9 LEU CG C 13 26.990 0.300 . 1 . . . . 9 LEU CG . 11321 1 39 . 1 1 9 9 LEU N N 15 120.387 0.300 . 1 . . . . 9 LEU N . 11321 1 40 . 1 1 10 10 PHE H H 1 8.003 0.030 . 1 . . . . 10 PHE H . 11321 1 41 . 1 1 10 10 PHE HA H 1 4.501 0.030 . 1 . . . . 10 PHE HA . 11321 1 42 . 1 1 10 10 PHE HB2 H 1 3.040 0.030 . 2 . . . . 10 PHE HB2 . 11321 1 43 . 1 1 10 10 PHE HB3 H 1 2.964 0.030 . 2 . . . . 10 PHE HB3 . 11321 1 44 . 1 1 10 10 PHE HD1 H 1 7.133 0.030 . 1 . . . . 10 PHE HD1 . 11321 1 45 . 1 1 10 10 PHE HD2 H 1 7.133 0.030 . 1 . . . . 10 PHE HD2 . 11321 1 46 . 1 1 10 10 PHE HE1 H 1 7.286 0.030 . 1 . . . . 10 PHE HE1 . 11321 1 47 . 1 1 10 10 PHE HE2 H 1 7.286 0.030 . 1 . . . . 10 PHE HE2 . 11321 1 48 . 1 1 10 10 PHE HZ H 1 7.258 0.030 . 1 . . . . 10 PHE HZ . 11321 1 49 . 1 1 10 10 PHE C C 13 175.535 0.300 . 1 . . . . 10 PHE C . 11321 1 50 . 1 1 10 10 PHE CA C 13 57.881 0.300 . 1 . . . . 10 PHE CA . 11321 1 51 . 1 1 10 10 PHE CB C 13 39.505 0.300 . 1 . . . . 10 PHE CB . 11321 1 52 . 1 1 10 10 PHE CD1 C 13 131.783 0.300 . 1 . . . . 10 PHE CD1 . 11321 1 53 . 1 1 10 10 PHE CD2 C 13 131.783 0.300 . 1 . . . . 10 PHE CD2 . 11321 1 54 . 1 1 10 10 PHE CE1 C 13 131.484 0.300 . 1 . . . . 10 PHE CE1 . 11321 1 55 . 1 1 10 10 PHE CE2 C 13 131.484 0.300 . 1 . . . . 10 PHE CE2 . 11321 1 56 . 1 1 10 10 PHE CZ C 13 129.786 0.300 . 1 . . . . 10 PHE CZ . 11321 1 57 . 1 1 10 10 PHE N N 15 119.978 0.300 . 1 . . . . 10 PHE N . 11321 1 58 . 1 1 11 11 HIS H H 1 8.041 0.030 . 1 . . . . 11 HIS H . 11321 1 59 . 1 1 11 11 HIS HA H 1 4.474 0.030 . 1 . . . . 11 HIS HA . 11321 1 60 . 1 1 11 11 HIS HB2 H 1 2.997 0.030 . 2 . . . . 11 HIS HB2 . 11321 1 61 . 1 1 11 11 HIS HB3 H 1 3.057 0.030 . 2 . . . . 11 HIS HB3 . 11321 1 62 . 1 1 11 11 HIS HD2 H 1 6.932 0.030 . 1 . . . . 11 HIS HD2 . 11321 1 63 . 1 1 11 11 HIS HE1 H 1 7.781 0.030 . 1 . . . . 11 HIS HE1 . 11321 1 64 . 1 1 11 11 HIS C C 13 175.317 0.300 . 1 . . . . 11 HIS C . 11321 1 65 . 1 1 11 11 HIS CA C 13 56.570 0.300 . 1 . . . . 11 HIS CA . 11321 1 66 . 1 1 11 11 HIS CB C 13 31.019 0.300 . 1 . . . . 11 HIS CB . 11321 1 67 . 1 1 11 11 HIS CD2 C 13 119.862 0.300 . 1 . . . . 11 HIS CD2 . 11321 1 68 . 1 1 11 11 HIS CE1 C 13 138.400 0.300 . 1 . . . . 11 HIS CE1 . 11321 1 69 . 1 1 11 11 HIS N N 15 120.817 0.300 . 1 . . . . 11 HIS N . 11321 1 70 . 1 1 12 12 LYS H H 1 8.097 0.030 . 1 . . . . 12 LYS H . 11321 1 71 . 1 1 12 12 LYS HA H 1 4.190 0.030 . 1 . . . . 12 LYS HA . 11321 1 72 . 1 1 12 12 LYS HB2 H 1 1.707 0.030 . 1 . . . . 12 LYS HB2 . 11321 1 73 . 1 1 12 12 LYS HB3 H 1 1.707 0.030 . 1 . . . . 12 LYS HB3 . 11321 1 74 . 1 1 12 12 LYS HD2 H 1 1.642 0.030 . 1 . . . . 12 LYS HD2 . 11321 1 75 . 1 1 12 12 LYS HD3 H 1 1.642 0.030 . 1 . . . . 12 LYS HD3 . 11321 1 76 . 1 1 12 12 LYS HE2 H 1 2.970 0.030 . 1 . . . . 12 LYS HE2 . 11321 1 77 . 1 1 12 12 LYS HE3 H 1 2.970 0.030 . 1 . . . . 12 LYS HE3 . 11321 1 78 . 1 1 12 12 LYS HG2 H 1 1.366 0.030 . 1 . . . . 12 LYS HG2 . 11321 1 79 . 1 1 12 12 LYS HG3 H 1 1.366 0.030 . 1 . . . . 12 LYS HG3 . 11321 1 80 . 1 1 12 12 LYS C C 13 176.395 0.300 . 1 . . . . 12 LYS C . 11321 1 81 . 1 1 12 12 LYS CA C 13 56.654 0.300 . 1 . . . . 12 LYS CA . 11321 1 82 . 1 1 12 12 LYS CB C 13 33.034 0.300 . 1 . . . . 12 LYS CB . 11321 1 83 . 1 1 12 12 LYS CD C 13 29.128 0.300 . 1 . . . . 12 LYS CD . 11321 1 84 . 1 1 12 12 LYS CE C 13 42.051 0.300 . 1 . . . . 12 LYS CE . 11321 1 85 . 1 1 12 12 LYS CG C 13 24.782 0.300 . 1 . . . . 12 LYS CG . 11321 1 86 . 1 1 12 12 LYS N N 15 122.611 0.300 . 1 . . . . 12 LYS N . 11321 1 87 . 1 1 13 13 LYS H H 1 8.344 0.030 . 1 . . . . 13 LYS H . 11321 1 88 . 1 1 13 13 LYS HA H 1 4.240 0.030 . 1 . . . . 13 LYS HA . 11321 1 89 . 1 1 13 13 LYS HB2 H 1 1.718 0.030 . 2 . . . . 13 LYS HB2 . 11321 1 90 . 1 1 13 13 LYS HB3 H 1 1.777 0.030 . 2 . . . . 13 LYS HB3 . 11321 1 91 . 1 1 13 13 LYS HD2 H 1 1.643 0.030 . 1 . . . . 13 LYS HD2 . 11321 1 92 . 1 1 13 13 LYS HD3 H 1 1.643 0.030 . 1 . . . . 13 LYS HD3 . 11321 1 93 . 1 1 13 13 LYS HE2 H 1 2.959 0.030 . 1 . . . . 13 LYS HE2 . 11321 1 94 . 1 1 13 13 LYS HE3 H 1 2.959 0.030 . 1 . . . . 13 LYS HE3 . 11321 1 95 . 1 1 13 13 LYS HG2 H 1 1.419 0.030 . 1 . . . . 13 LYS HG2 . 11321 1 96 . 1 1 13 13 LYS HG3 H 1 1.419 0.030 . 1 . . . . 13 LYS HG3 . 11321 1 97 . 1 1 13 13 LYS C C 13 176.807 0.300 . 1 . . . . 13 LYS C . 11321 1 98 . 1 1 13 13 LYS CA C 13 56.652 0.300 . 1 . . . . 13 LYS CA . 11321 1 99 . 1 1 13 13 LYS CB C 13 32.910 0.300 . 1 . . . . 13 LYS CB . 11321 1 100 . 1 1 13 13 LYS CD C 13 29.177 0.300 . 1 . . . . 13 LYS CD . 11321 1 101 . 1 1 13 13 LYS CE C 13 42.119 0.300 . 1 . . . . 13 LYS CE . 11321 1 102 . 1 1 13 13 LYS CG C 13 24.770 0.300 . 1 . . . . 13 LYS CG . 11321 1 103 . 1 1 13 13 LYS N N 15 122.453 0.300 . 1 . . . . 13 LYS N . 11321 1 104 . 1 1 14 14 LEU H H 1 8.285 0.030 . 1 . . . . 14 LEU H . 11321 1 105 . 1 1 14 14 LEU HA H 1 4.336 0.030 . 1 . . . . 14 LEU HA . 11321 1 106 . 1 1 14 14 LEU HB2 H 1 1.646 0.030 . 2 . . . . 14 LEU HB2 . 11321 1 107 . 1 1 14 14 LEU HB3 H 1 1.561 0.030 . 2 . . . . 14 LEU HB3 . 11321 1 108 . 1 1 14 14 LEU HD11 H 1 0.813 0.030 . 1 . . . . 14 LEU HD1 . 11321 1 109 . 1 1 14 14 LEU HD12 H 1 0.813 0.030 . 1 . . . . 14 LEU HD1 . 11321 1 110 . 1 1 14 14 LEU HD13 H 1 0.813 0.030 . 1 . . . . 14 LEU HD1 . 11321 1 111 . 1 1 14 14 LEU HD21 H 1 0.880 0.030 . 1 . . . . 14 LEU HD2 . 11321 1 112 . 1 1 14 14 LEU HD22 H 1 0.880 0.030 . 1 . . . . 14 LEU HD2 . 11321 1 113 . 1 1 14 14 LEU HD23 H 1 0.880 0.030 . 1 . . . . 14 LEU HD2 . 11321 1 114 . 1 1 14 14 LEU HG H 1 1.597 0.030 . 1 . . . . 14 LEU HG . 11321 1 115 . 1 1 14 14 LEU C C 13 177.703 0.300 . 1 . . . . 14 LEU C . 11321 1 116 . 1 1 14 14 LEU CA C 13 55.570 0.300 . 1 . . . . 14 LEU CA . 11321 1 117 . 1 1 14 14 LEU CB C 13 42.243 0.300 . 1 . . . . 14 LEU CB . 11321 1 118 . 1 1 14 14 LEU CD1 C 13 23.628 0.300 . 2 . . . . 14 LEU CD1 . 11321 1 119 . 1 1 14 14 LEU CD2 C 13 24.960 0.300 . 2 . . . . 14 LEU CD2 . 11321 1 120 . 1 1 14 14 LEU CG C 13 26.990 0.300 . 1 . . . . 14 LEU CG . 11321 1 121 . 1 1 14 14 LEU N N 15 123.429 0.300 . 1 . . . . 14 LEU N . 11321 1 122 . 1 1 15 15 THR H H 1 8.017 0.030 . 1 . . . . 15 THR H . 11321 1 123 . 1 1 15 15 THR HA H 1 4.277 0.030 . 1 . . . . 15 THR HA . 11321 1 124 . 1 1 15 15 THR HB H 1 4.229 0.030 . 1 . . . . 15 THR HB . 11321 1 125 . 1 1 15 15 THR HG21 H 1 1.161 0.030 . 1 . . . . 15 THR HG2 . 11321 1 126 . 1 1 15 15 THR HG22 H 1 1.161 0.030 . 1 . . . . 15 THR HG2 . 11321 1 127 . 1 1 15 15 THR HG23 H 1 1.161 0.030 . 1 . . . . 15 THR HG2 . 11321 1 128 . 1 1 15 15 THR C C 13 174.602 0.300 . 1 . . . . 15 THR C . 11321 1 129 . 1 1 15 15 THR CA C 13 62.038 0.300 . 1 . . . . 15 THR CA . 11321 1 130 . 1 1 15 15 THR CB C 13 69.747 0.300 . 1 . . . . 15 THR CB . 11321 1 131 . 1 1 15 15 THR CG2 C 13 21.630 0.300 . 1 . . . . 15 THR CG2 . 11321 1 132 . 1 1 15 15 THR N N 15 113.921 0.300 . 1 . . . . 15 THR N . 11321 1 133 . 1 1 16 16 GLU H H 1 8.317 0.030 . 1 . . . . 16 GLU H . 11321 1 134 . 1 1 16 16 GLU HA H 1 4.237 0.030 . 1 . . . . 16 GLU HA . 11321 1 135 . 1 1 16 16 GLU HB2 H 1 1.941 0.030 . 2 . . . . 16 GLU HB2 . 11321 1 136 . 1 1 16 16 GLU HB3 H 1 2.040 0.030 . 2 . . . . 16 GLU HB3 . 11321 1 137 . 1 1 16 16 GLU HG2 H 1 2.238 0.030 . 1 . . . . 16 GLU HG2 . 11321 1 138 . 1 1 16 16 GLU HG3 H 1 2.238 0.030 . 1 . . . . 16 GLU HG3 . 11321 1 139 . 1 1 16 16 GLU C C 13 176.916 0.300 . 1 . . . . 16 GLU C . 11321 1 140 . 1 1 16 16 GLU CA C 13 56.914 0.300 . 1 . . . . 16 GLU CA . 11321 1 141 . 1 1 16 16 GLU CB C 13 30.336 0.300 . 1 . . . . 16 GLU CB . 11321 1 142 . 1 1 16 16 GLU CG C 13 36.277 0.300 . 1 . . . . 16 GLU CG . 11321 1 143 . 1 1 16 16 GLU N N 15 122.985 0.300 . 1 . . . . 16 GLU N . 11321 1 144 . 1 1 17 17 GLY H H 1 8.360 0.030 . 1 . . . . 17 GLY H . 11321 1 145 . 1 1 17 17 GLY HA2 H 1 3.927 0.030 . 1 . . . . 17 GLY HA2 . 11321 1 146 . 1 1 17 17 GLY HA3 H 1 3.927 0.030 . 1 . . . . 17 GLY HA3 . 11321 1 147 . 1 1 17 17 GLY C C 13 174.202 0.300 . 1 . . . . 17 GLY C . 11321 1 148 . 1 1 17 17 GLY CA C 13 45.597 0.300 . 1 . . . . 17 GLY CA . 11321 1 149 . 1 1 17 17 GLY N N 15 109.636 0.300 . 1 . . . . 17 GLY N . 11321 1 150 . 1 1 18 18 VAL H H 1 7.854 0.030 . 1 . . . . 18 VAL H . 11321 1 151 . 1 1 18 18 VAL HA H 1 4.019 0.030 . 1 . . . . 18 VAL HA . 11321 1 152 . 1 1 18 18 VAL HB H 1 2.030 0.030 . 1 . . . . 18 VAL HB . 11321 1 153 . 1 1 18 18 VAL HG11 H 1 0.870 0.030 . 1 . . . . 18 VAL HG1 . 11321 1 154 . 1 1 18 18 VAL HG12 H 1 0.870 0.030 . 1 . . . . 18 VAL HG1 . 11321 1 155 . 1 1 18 18 VAL HG13 H 1 0.870 0.030 . 1 . . . . 18 VAL HG1 . 11321 1 156 . 1 1 18 18 VAL HG21 H 1 0.871 0.030 . 1 . . . . 18 VAL HG2 . 11321 1 157 . 1 1 18 18 VAL HG22 H 1 0.871 0.030 . 1 . . . . 18 VAL HG2 . 11321 1 158 . 1 1 18 18 VAL HG23 H 1 0.871 0.030 . 1 . . . . 18 VAL HG2 . 11321 1 159 . 1 1 18 18 VAL C C 13 176.237 0.300 . 1 . . . . 18 VAL C . 11321 1 160 . 1 1 18 18 VAL CA C 13 62.646 0.300 . 1 . . . . 18 VAL CA . 11321 1 161 . 1 1 18 18 VAL CB C 13 32.660 0.300 . 1 . . . . 18 VAL CB . 11321 1 162 . 1 1 18 18 VAL CG1 C 13 21.253 0.300 . 2 . . . . 18 VAL CG1 . 11321 1 163 . 1 1 18 18 VAL CG2 C 13 20.663 0.300 . 2 . . . . 18 VAL CG2 . 11321 1 164 . 1 1 18 18 VAL N N 15 119.146 0.300 . 1 . . . . 18 VAL N . 11321 1 165 . 1 1 19 19 LEU H H 1 8.224 0.030 . 1 . . . . 19 LEU H . 11321 1 166 . 1 1 19 19 LEU HA H 1 4.273 0.030 . 1 . . . . 19 LEU HA . 11321 1 167 . 1 1 19 19 LEU HB2 H 1 1.495 0.030 . 2 . . . . 19 LEU HB2 . 11321 1 168 . 1 1 19 19 LEU HB3 H 1 1.564 0.030 . 2 . . . . 19 LEU HB3 . 11321 1 169 . 1 1 19 19 LEU HD11 H 1 0.866 0.030 . 1 . . . . 19 LEU HD1 . 11321 1 170 . 1 1 19 19 LEU HD12 H 1 0.866 0.030 . 1 . . . . 19 LEU HD1 . 11321 1 171 . 1 1 19 19 LEU HD13 H 1 0.866 0.030 . 1 . . . . 19 LEU HD1 . 11321 1 172 . 1 1 19 19 LEU HD21 H 1 0.807 0.030 . 1 . . . . 19 LEU HD2 . 11321 1 173 . 1 1 19 19 LEU HD22 H 1 0.807 0.030 . 1 . . . . 19 LEU HD2 . 11321 1 174 . 1 1 19 19 LEU HD23 H 1 0.807 0.030 . 1 . . . . 19 LEU HD2 . 11321 1 175 . 1 1 19 19 LEU HG H 1 1.546 0.030 . 1 . . . . 19 LEU HG . 11321 1 176 . 1 1 19 19 LEU C C 13 177.073 0.300 . 1 . . . . 19 LEU C . 11321 1 177 . 1 1 19 19 LEU CA C 13 55.360 0.300 . 1 . . . . 19 LEU CA . 11321 1 178 . 1 1 19 19 LEU CB C 13 42.160 0.300 . 1 . . . . 19 LEU CB . 11321 1 179 . 1 1 19 19 LEU CD1 C 13 24.960 0.300 . 2 . . . . 19 LEU CD1 . 11321 1 180 . 1 1 19 19 LEU CD2 C 13 23.406 0.300 . 2 . . . . 19 LEU CD2 . 11321 1 181 . 1 1 19 19 LEU CG C 13 26.990 0.300 . 1 . . . . 19 LEU CG . 11321 1 182 . 1 1 19 19 LEU N N 15 125.212 0.300 . 1 . . . . 19 LEU N . 11321 1 183 . 1 1 20 20 MET H H 1 8.129 0.030 . 1 . . . . 20 MET H . 11321 1 184 . 1 1 20 20 MET HA H 1 4.172 0.030 . 1 . . . . 20 MET HA . 11321 1 185 . 1 1 20 20 MET HB2 H 1 1.868 0.030 . 1 . . . . 20 MET HB2 . 11321 1 186 . 1 1 20 20 MET HB3 H 1 1.868 0.030 . 1 . . . . 20 MET HB3 . 11321 1 187 . 1 1 20 20 MET HE1 H 1 2.007 0.030 . 1 . . . . 20 MET HE . 11321 1 188 . 1 1 20 20 MET HE2 H 1 2.007 0.030 . 1 . . . . 20 MET HE . 11321 1 189 . 1 1 20 20 MET HE3 H 1 2.007 0.030 . 1 . . . . 20 MET HE . 11321 1 190 . 1 1 20 20 MET HG2 H 1 2.372 0.030 . 2 . . . . 20 MET HG2 . 11321 1 191 . 1 1 20 20 MET HG3 H 1 2.441 0.030 . 2 . . . . 20 MET HG3 . 11321 1 192 . 1 1 20 20 MET C C 13 175.753 0.300 . 1 . . . . 20 MET C . 11321 1 193 . 1 1 20 20 MET CA C 13 55.360 0.300 . 1 . . . . 20 MET CA . 11321 1 194 . 1 1 20 20 MET CB C 13 32.824 0.300 . 1 . . . . 20 MET CB . 11321 1 195 . 1 1 20 20 MET CE C 13 17.194 0.300 . 1 . . . . 20 MET CE . 11321 1 196 . 1 1 20 20 MET CG C 13 32.283 0.300 . 1 . . . . 20 MET CG . 11321 1 197 . 1 1 20 20 MET N N 15 120.589 0.300 . 1 . . . . 20 MET N . 11321 1 198 . 1 1 21 21 ARG H H 1 8.457 0.030 . 1 . . . . 21 ARG H . 11321 1 199 . 1 1 21 21 ARG HA H 1 4.211 0.030 . 1 . . . . 21 ARG HA . 11321 1 200 . 1 1 21 21 ARG HB2 H 1 1.700 0.030 . 2 . . . . 21 ARG HB2 . 11321 1 201 . 1 1 21 21 ARG HB3 H 1 1.661 0.030 . 2 . . . . 21 ARG HB3 . 11321 1 202 . 1 1 21 21 ARG HD2 H 1 3.001 0.030 . 1 . . . . 21 ARG HD2 . 11321 1 203 . 1 1 21 21 ARG HD3 H 1 3.001 0.030 . 1 . . . . 21 ARG HD3 . 11321 1 204 . 1 1 21 21 ARG HG2 H 1 1.451 0.030 . 2 . . . . 21 ARG HG2 . 11321 1 205 . 1 1 21 21 ARG HG3 H 1 1.518 0.030 . 2 . . . . 21 ARG HG3 . 11321 1 206 . 1 1 21 21 ARG C C 13 175.886 0.300 . 1 . . . . 21 ARG C . 11321 1 207 . 1 1 21 21 ARG CA C 13 56.026 0.300 . 1 . . . . 21 ARG CA . 11321 1 208 . 1 1 21 21 ARG CB C 13 30.732 0.300 . 1 . . . . 21 ARG CB . 11321 1 209 . 1 1 21 21 ARG CD C 13 43.378 0.300 . 1 . . . . 21 ARG CD . 11321 1 210 . 1 1 21 21 ARG CG C 13 27.179 0.300 . 1 . . . . 21 ARG CG . 11321 1 211 . 1 1 21 21 ARG N N 15 122.034 0.300 . 1 . . . . 21 ARG N . 11321 1 212 . 1 1 22 22 ASP H H 1 8.493 0.030 . 1 . . . . 22 ASP H . 11321 1 213 . 1 1 22 22 ASP HA H 1 4.781 0.030 . 1 . . . . 22 ASP HA . 11321 1 214 . 1 1 22 22 ASP HB2 H 1 2.480 0.030 . 2 . . . . 22 ASP HB2 . 11321 1 215 . 1 1 22 22 ASP HB3 H 1 2.776 0.030 . 2 . . . . 22 ASP HB3 . 11321 1 216 . 1 1 22 22 ASP C C 13 173.996 0.300 . 1 . . . . 22 ASP C . 11321 1 217 . 1 1 22 22 ASP CA C 13 52.398 0.300 . 1 . . . . 22 ASP CA . 11321 1 218 . 1 1 22 22 ASP CB C 13 41.871 0.300 . 1 . . . . 22 ASP CB . 11321 1 219 . 1 1 22 22 ASP N N 15 123.196 0.300 . 1 . . . . 22 ASP N . 11321 1 220 . 1 1 23 23 PRO HA H 1 4.450 0.030 . 1 . . . . 23 PRO HA . 11321 1 221 . 1 1 23 23 PRO HB2 H 1 1.832 0.030 . 2 . . . . 23 PRO HB2 . 11321 1 222 . 1 1 23 23 PRO HB3 H 1 2.204 0.030 . 2 . . . . 23 PRO HB3 . 11321 1 223 . 1 1 23 23 PRO HD2 H 1 3.711 0.030 . 2 . . . . 23 PRO HD2 . 11321 1 224 . 1 1 23 23 PRO HD3 H 1 3.741 0.030 . 2 . . . . 23 PRO HD3 . 11321 1 225 . 1 1 23 23 PRO HG2 H 1 1.974 0.030 . 1 . . . . 23 PRO HG2 . 11321 1 226 . 1 1 23 23 PRO HG3 H 1 1.974 0.030 . 1 . . . . 23 PRO HG3 . 11321 1 227 . 1 1 23 23 PRO C C 13 176.976 0.300 . 1 . . . . 23 PRO C . 11321 1 228 . 1 1 23 23 PRO CA C 13 63.349 0.300 . 1 . . . . 23 PRO CA . 11321 1 229 . 1 1 23 23 PRO CB C 13 32.513 0.300 . 1 . . . . 23 PRO CB . 11321 1 230 . 1 1 23 23 PRO CD C 13 50.722 0.300 . 1 . . . . 23 PRO CD . 11321 1 231 . 1 1 23 23 PRO CG C 13 27.179 0.300 . 1 . . . . 23 PRO CG . 11321 1 232 . 1 1 24 24 LYS H H 1 8.698 0.030 . 1 . . . . 24 LYS H . 11321 1 233 . 1 1 24 24 LYS HA H 1 4.289 0.030 . 1 . . . . 24 LYS HA . 11321 1 234 . 1 1 24 24 LYS HB2 H 1 1.434 0.030 . 2 . . . . 24 LYS HB2 . 11321 1 235 . 1 1 24 24 LYS HB3 H 1 1.620 0.030 . 2 . . . . 24 LYS HB3 . 11321 1 236 . 1 1 24 24 LYS HD2 H 1 1.563 0.030 . 2 . . . . 24 LYS HD2 . 11321 1 237 . 1 1 24 24 LYS HD3 H 1 1.591 0.030 . 2 . . . . 24 LYS HD3 . 11321 1 238 . 1 1 24 24 LYS HE2 H 1 2.908 0.030 . 1 . . . . 24 LYS HE2 . 11321 1 239 . 1 1 24 24 LYS HE3 H 1 2.908 0.030 . 1 . . . . 24 LYS HE3 . 11321 1 240 . 1 1 24 24 LYS HG2 H 1 1.243 0.030 . 1 . . . . 24 LYS HG2 . 11321 1 241 . 1 1 24 24 LYS HG3 H 1 1.243 0.030 . 1 . . . . 24 LYS HG3 . 11321 1 242 . 1 1 24 24 LYS C C 13 174.408 0.300 . 1 . . . . 24 LYS C . 11321 1 243 . 1 1 24 24 LYS CA C 13 55.509 0.300 . 1 . . . . 24 LYS CA . 11321 1 244 . 1 1 24 24 LYS CB C 13 32.949 0.300 . 1 . . . . 24 LYS CB . 11321 1 245 . 1 1 24 24 LYS CD C 13 28.963 0.300 . 1 . . . . 24 LYS CD . 11321 1 246 . 1 1 24 24 LYS CE C 13 42.047 0.300 . 1 . . . . 24 LYS CE . 11321 1 247 . 1 1 24 24 LYS CG C 13 24.827 0.300 . 1 . . . . 24 LYS CG . 11321 1 248 . 1 1 24 24 LYS N N 15 120.309 0.300 . 1 . . . . 24 LYS N . 11321 1 249 . 1 1 25 25 PHE H H 1 7.893 0.030 . 1 . . . . 25 PHE H . 11321 1 250 . 1 1 25 25 PHE HA H 1 4.476 0.030 . 1 . . . . 25 PHE HA . 11321 1 251 . 1 1 25 25 PHE HB2 H 1 2.573 0.030 . 2 . . . . 25 PHE HB2 . 11321 1 252 . 1 1 25 25 PHE HB3 H 1 2.673 0.030 . 2 . . . . 25 PHE HB3 . 11321 1 253 . 1 1 25 25 PHE HD1 H 1 6.636 0.030 . 1 . . . . 25 PHE HD1 . 11321 1 254 . 1 1 25 25 PHE HD2 H 1 6.636 0.030 . 1 . . . . 25 PHE HD2 . 11321 1 255 . 1 1 25 25 PHE C C 13 174.481 0.300 . 1 . . . . 25 PHE C . 11321 1 256 . 1 1 25 25 PHE CA C 13 57.719 0.300 . 1 . . . . 25 PHE CA . 11321 1 257 . 1 1 25 25 PHE CB C 13 40.804 0.300 . 1 . . . . 25 PHE CB . 11321 1 258 . 1 1 25 25 PHE CD1 C 13 131.472 0.300 . 1 . . . . 25 PHE CD1 . 11321 1 259 . 1 1 25 25 PHE CD2 C 13 131.472 0.300 . 1 . . . . 25 PHE CD2 . 11321 1 260 . 1 1 25 25 PHE N N 15 120.820 0.300 . 1 . . . . 25 PHE N . 11321 1 261 . 1 1 26 26 LEU H H 1 8.419 0.030 . 1 . . . . 26 LEU H . 11321 1 262 . 1 1 26 26 LEU HA H 1 4.228 0.030 . 1 . . . . 26 LEU HA . 11321 1 263 . 1 1 26 26 LEU HB2 H 1 0.709 0.030 . 2 . . . . 26 LEU HB2 . 11321 1 264 . 1 1 26 26 LEU HB3 H 1 0.796 0.030 . 2 . . . . 26 LEU HB3 . 11321 1 265 . 1 1 26 26 LEU HD11 H 1 0.506 0.030 . 1 . . . . 26 LEU HD1 . 11321 1 266 . 1 1 26 26 LEU HD12 H 1 0.506 0.030 . 1 . . . . 26 LEU HD1 . 11321 1 267 . 1 1 26 26 LEU HD13 H 1 0.506 0.030 . 1 . . . . 26 LEU HD1 . 11321 1 268 . 1 1 26 26 LEU HD21 H 1 0.485 0.030 . 1 . . . . 26 LEU HD2 . 11321 1 269 . 1 1 26 26 LEU HD22 H 1 0.485 0.030 . 1 . . . . 26 LEU HD2 . 11321 1 270 . 1 1 26 26 LEU HD23 H 1 0.485 0.030 . 1 . . . . 26 LEU HD2 . 11321 1 271 . 1 1 26 26 LEU HG H 1 1.189 0.030 . 1 . . . . 26 LEU HG . 11321 1 272 . 1 1 26 26 LEU C C 13 173.148 0.300 . 1 . . . . 26 LEU C . 11321 1 273 . 1 1 26 26 LEU CA C 13 53.288 0.300 . 1 . . . . 26 LEU CA . 11321 1 274 . 1 1 26 26 LEU CB C 13 44.631 0.300 . 1 . . . . 26 LEU CB . 11321 1 275 . 1 1 26 26 LEU CD1 C 13 25.157 0.300 . 2 . . . . 26 LEU CD1 . 11321 1 276 . 1 1 26 26 LEU CD2 C 13 25.919 0.300 . 2 . . . . 26 LEU CD2 . 11321 1 277 . 1 1 26 26 LEU CG C 13 26.736 0.300 . 1 . . . . 26 LEU CG . 11321 1 278 . 1 1 26 26 LEU N N 15 127.745 0.300 . 1 . . . . 26 LEU N . 11321 1 279 . 1 1 27 27 TRP H H 1 7.746 0.030 . 1 . . . . 27 TRP H . 11321 1 280 . 1 1 27 27 TRP HA H 1 4.954 0.030 . 1 . . . . 27 TRP HA . 11321 1 281 . 1 1 27 27 TRP HB2 H 1 2.866 0.030 . 1 . . . . 27 TRP HB2 . 11321 1 282 . 1 1 27 27 TRP HB3 H 1 2.866 0.030 . 1 . . . . 27 TRP HB3 . 11321 1 283 . 1 1 27 27 TRP HD1 H 1 7.134 0.030 . 1 . . . . 27 TRP HD1 . 11321 1 284 . 1 1 27 27 TRP HE1 H 1 10.116 0.030 . 1 . . . . 27 TRP HE1 . 11321 1 285 . 1 1 27 27 TRP HE3 H 1 7.507 0.030 . 1 . . . . 27 TRP HE3 . 11321 1 286 . 1 1 27 27 TRP HH2 H 1 7.104 0.030 . 1 . . . . 27 TRP HH2 . 11321 1 287 . 1 1 27 27 TRP HZ2 H 1 7.334 0.030 . 1 . . . . 27 TRP HZ2 . 11321 1 288 . 1 1 27 27 TRP HZ3 H 1 7.080 0.030 . 1 . . . . 27 TRP HZ3 . 11321 1 289 . 1 1 27 27 TRP C C 13 175.668 0.300 . 1 . . . . 27 TRP C . 11321 1 290 . 1 1 27 27 TRP CA C 13 55.539 0.300 . 1 . . . . 27 TRP CA . 11321 1 291 . 1 1 27 27 TRP CB C 13 30.772 0.300 . 1 . . . . 27 TRP CB . 11321 1 292 . 1 1 27 27 TRP CD1 C 13 127.256 0.300 . 1 . . . . 27 TRP CD1 . 11321 1 293 . 1 1 27 27 TRP CE3 C 13 121.257 0.300 . 1 . . . . 27 TRP CE3 . 11321 1 294 . 1 1 27 27 TRP CH2 C 13 124.371 0.300 . 1 . . . . 27 TRP CH2 . 11321 1 295 . 1 1 27 27 TRP CZ2 C 13 114.026 0.300 . 1 . . . . 27 TRP CZ2 . 11321 1 296 . 1 1 27 27 TRP CZ3 C 13 121.792 0.300 . 1 . . . . 27 TRP CZ3 . 11321 1 297 . 1 1 27 27 TRP N N 15 119.401 0.300 . 1 . . . . 27 TRP N . 11321 1 298 . 1 1 27 27 TRP NE1 N 15 128.617 0.300 . 1 . . . . 27 TRP NE1 . 11321 1 299 . 1 1 28 28 CYS HA H 1 4.912 0.030 . 1 . . . . 28 CYS HA . 11321 1 300 . 1 1 28 28 CYS HB2 H 1 2.579 0.030 . 2 . . . . 28 CYS HB2 . 11321 1 301 . 1 1 28 28 CYS HB3 H 1 3.151 0.030 . 2 . . . . 28 CYS HB3 . 11321 1 302 . 1 1 28 28 CYS CB C 13 32.146 0.300 . 1 . . . . 28 CYS CB . 11321 1 303 . 1 1 29 29 ALA HA H 1 4.034 0.030 . 1 . . . . 29 ALA HA . 11321 1 304 . 1 1 29 29 ALA HB1 H 1 1.280 0.030 . 1 . . . . 29 ALA HB . 11321 1 305 . 1 1 29 29 ALA HB2 H 1 1.280 0.030 . 1 . . . . 29 ALA HB . 11321 1 306 . 1 1 29 29 ALA HB3 H 1 1.280 0.030 . 1 . . . . 29 ALA HB . 11321 1 307 . 1 1 29 29 ALA CA C 13 53.816 0.300 . 1 . . . . 29 ALA CA . 11321 1 308 . 1 1 29 29 ALA CB C 13 19.413 0.300 . 1 . . . . 29 ALA CB . 11321 1 309 . 1 1 30 30 GLN HA H 1 4.302 0.030 . 1 . . . . 30 GLN HA . 11321 1 310 . 1 1 30 30 GLN HB2 H 1 2.023 0.030 . 2 . . . . 30 GLN HB2 . 11321 1 311 . 1 1 30 30 GLN HB3 H 1 2.229 0.030 . 2 . . . . 30 GLN HB3 . 11321 1 312 . 1 1 30 30 GLN HE21 H 1 6.914 0.030 . 2 . . . . 30 GLN HE21 . 11321 1 313 . 1 1 30 30 GLN HE22 H 1 7.699 0.030 . 2 . . . . 30 GLN HE22 . 11321 1 314 . 1 1 30 30 GLN HG2 H 1 2.309 0.030 . 1 . . . . 30 GLN HG2 . 11321 1 315 . 1 1 30 30 GLN HG3 H 1 2.309 0.030 . 1 . . . . 30 GLN HG3 . 11321 1 316 . 1 1 30 30 GLN C C 13 177.582 0.300 . 1 . . . . 30 GLN C . 11321 1 317 . 1 1 30 30 GLN CA C 13 58.093 0.300 . 1 . . . . 30 GLN CA . 11321 1 318 . 1 1 30 30 GLN CB C 13 29.820 0.300 . 1 . . . . 30 GLN CB . 11321 1 319 . 1 1 30 30 GLN CG C 13 34.280 0.300 . 1 . . . . 30 GLN CG . 11321 1 320 . 1 1 30 30 GLN NE2 N 15 112.427 0.300 . 1 . . . . 30 GLN NE2 . 11321 1 321 . 1 1 31 31 CYS H H 1 9.082 0.030 . 1 . . . . 31 CYS H . 11321 1 322 . 1 1 31 31 CYS HA H 1 3.996 0.030 . 1 . . . . 31 CYS HA . 11321 1 323 . 1 1 31 31 CYS HB2 H 1 3.323 0.030 . 1 . . . . 31 CYS HB2 . 11321 1 324 . 1 1 31 31 CYS HB3 H 1 3.323 0.030 . 1 . . . . 31 CYS HB3 . 11321 1 325 . 1 1 31 31 CYS C C 13 177.485 0.300 . 1 . . . . 31 CYS C . 11321 1 326 . 1 1 31 31 CYS CA C 13 59.798 0.300 . 1 . . . . 31 CYS CA . 11321 1 327 . 1 1 31 31 CYS CB C 13 31.617 0.300 . 1 . . . . 31 CYS CB . 11321 1 328 . 1 1 31 31 CYS N N 15 121.287 0.300 . 1 . . . . 31 CYS N . 11321 1 329 . 1 1 32 32 SER H H 1 7.767 0.030 . 1 . . . . 32 SER H . 11321 1 330 . 1 1 32 32 SER HA H 1 4.120 0.030 . 1 . . . . 32 SER HA . 11321 1 331 . 1 1 32 32 SER HB2 H 1 4.122 0.030 . 2 . . . . 32 SER HB2 . 11321 1 332 . 1 1 32 32 SER HB3 H 1 4.249 0.030 . 2 . . . . 32 SER HB3 . 11321 1 333 . 1 1 32 32 SER CA C 13 61.796 0.300 . 1 . . . . 32 SER CA . 11321 1 334 . 1 1 32 32 SER CB C 13 61.796 0.300 . 1 . . . . 32 SER CB . 11321 1 335 . 1 1 32 32 SER N N 15 115.240 0.300 . 1 . . . . 32 SER N . 11321 1 336 . 1 1 33 33 PHE HA H 1 4.497 0.030 . 1 . . . . 33 PHE HA . 11321 1 337 . 1 1 33 33 PHE HB2 H 1 2.946 0.030 . 1 . . . . 33 PHE HB2 . 11321 1 338 . 1 1 33 33 PHE HB3 H 1 2.946 0.030 . 1 . . . . 33 PHE HB3 . 11321 1 339 . 1 1 33 33 PHE HD1 H 1 7.213 0.030 . 1 . . . . 33 PHE HD1 . 11321 1 340 . 1 1 33 33 PHE HD2 H 1 7.213 0.030 . 1 . . . . 33 PHE HD2 . 11321 1 341 . 1 1 33 33 PHE HE1 H 1 7.274 0.030 . 1 . . . . 33 PHE HE1 . 11321 1 342 . 1 1 33 33 PHE HE2 H 1 7.274 0.030 . 1 . . . . 33 PHE HE2 . 11321 1 343 . 1 1 33 33 PHE HZ H 1 7.287 0.030 . 1 . . . . 33 PHE HZ . 11321 1 344 . 1 1 33 33 PHE CA C 13 59.396 0.300 . 1 . . . . 33 PHE CA . 11321 1 345 . 1 1 33 33 PHE CB C 13 42.269 0.300 . 1 . . . . 33 PHE CB . 11321 1 346 . 1 1 33 33 PHE CD1 C 13 132.096 0.300 . 1 . . . . 33 PHE CD1 . 11321 1 347 . 1 1 33 33 PHE CD2 C 13 132.096 0.300 . 1 . . . . 33 PHE CD2 . 11321 1 348 . 1 1 33 33 PHE CE1 C 13 131.472 0.300 . 1 . . . . 33 PHE CE1 . 11321 1 349 . 1 1 33 33 PHE CE2 C 13 131.472 0.300 . 1 . . . . 33 PHE CE2 . 11321 1 350 . 1 1 33 33 PHE CZ C 13 129.697 0.300 . 1 . . . . 33 PHE CZ . 11321 1 351 . 1 1 34 34 GLY HA2 H 1 4.943 0.030 . 1 . . . . 34 GLY HA2 . 11321 1 352 . 1 1 34 34 GLY HA3 H 1 4.943 0.030 . 1 . . . . 34 GLY HA3 . 11321 1 353 . 1 1 34 34 GLY C C 13 172.252 0.300 . 1 . . . . 34 GLY C . 11321 1 354 . 1 1 34 34 GLY CA C 13 44.778 0.300 . 1 . . . . 34 GLY CA . 11321 1 355 . 1 1 35 35 PHE H H 1 8.440 0.030 . 1 . . . . 35 PHE H . 11321 1 356 . 1 1 35 35 PHE HA H 1 4.661 0.030 . 1 . . . . 35 PHE HA . 11321 1 357 . 1 1 35 35 PHE HB2 H 1 3.043 0.030 . 1 . . . . 35 PHE HB2 . 11321 1 358 . 1 1 35 35 PHE HB3 H 1 3.043 0.030 . 1 . . . . 35 PHE HB3 . 11321 1 359 . 1 1 35 35 PHE HD1 H 1 7.155 0.030 . 1 . . . . 35 PHE HD1 . 11321 1 360 . 1 1 35 35 PHE HD2 H 1 7.155 0.030 . 1 . . . . 35 PHE HD2 . 11321 1 361 . 1 1 35 35 PHE HE1 H 1 7.058 0.030 . 1 . . . . 35 PHE HE1 . 11321 1 362 . 1 1 35 35 PHE HE2 H 1 7.058 0.030 . 1 . . . . 35 PHE HE2 . 11321 1 363 . 1 1 35 35 PHE HZ H 1 6.846 0.030 . 1 . . . . 35 PHE HZ . 11321 1 364 . 1 1 35 35 PHE C C 13 171.707 0.300 . 1 . . . . 35 PHE C . 11321 1 365 . 1 1 35 35 PHE CA C 13 55.165 0.300 . 1 . . . . 35 PHE CA . 11321 1 366 . 1 1 35 35 PHE CB C 13 40.860 0.300 . 1 . . . . 35 PHE CB . 11321 1 367 . 1 1 35 35 PHE CD1 C 13 133.823 0.300 . 1 . . . . 35 PHE CD1 . 11321 1 368 . 1 1 35 35 PHE CD2 C 13 133.823 0.300 . 1 . . . . 35 PHE CD2 . 11321 1 369 . 1 1 35 35 PHE CE1 C 13 130.307 0.300 . 1 . . . . 35 PHE CE1 . 11321 1 370 . 1 1 35 35 PHE CE2 C 13 130.307 0.300 . 1 . . . . 35 PHE CE2 . 11321 1 371 . 1 1 35 35 PHE CZ C 13 128.422 0.300 . 1 . . . . 35 PHE CZ . 11321 1 372 . 1 1 35 35 PHE N N 15 121.062 0.300 . 1 . . . . 35 PHE N . 11321 1 373 . 1 1 36 36 ILE H H 1 8.191 0.030 . 1 . . . . 36 ILE H . 11321 1 374 . 1 1 36 36 ILE HA H 1 4.398 0.030 . 1 . . . . 36 ILE HA . 11321 1 375 . 1 1 36 36 ILE HB H 1 1.684 0.030 . 1 . . . . 36 ILE HB . 11321 1 376 . 1 1 36 36 ILE HD11 H 1 0.746 0.030 . 1 . . . . 36 ILE HD1 . 11321 1 377 . 1 1 36 36 ILE HD12 H 1 0.746 0.030 . 1 . . . . 36 ILE HD1 . 11321 1 378 . 1 1 36 36 ILE HD13 H 1 0.746 0.030 . 1 . . . . 36 ILE HD1 . 11321 1 379 . 1 1 36 36 ILE HG12 H 1 0.985 0.030 . 2 . . . . 36 ILE HG12 . 11321 1 380 . 1 1 36 36 ILE HG13 H 1 1.438 0.030 . 2 . . . . 36 ILE HG13 . 11321 1 381 . 1 1 36 36 ILE HG21 H 1 0.743 0.030 . 1 . . . . 36 ILE HG2 . 11321 1 382 . 1 1 36 36 ILE HG22 H 1 0.743 0.030 . 1 . . . . 36 ILE HG2 . 11321 1 383 . 1 1 36 36 ILE HG23 H 1 0.743 0.030 . 1 . . . . 36 ILE HG2 . 11321 1 384 . 1 1 36 36 ILE C C 13 175.620 0.300 . 1 . . . . 36 ILE C . 11321 1 385 . 1 1 36 36 ILE CA C 13 59.914 0.300 . 1 . . . . 36 ILE CA . 11321 1 386 . 1 1 36 36 ILE CB C 13 38.912 0.300 . 1 . . . . 36 ILE CB . 11321 1 387 . 1 1 36 36 ILE CD1 C 13 12.756 0.300 . 1 . . . . 36 ILE CD1 . 11321 1 388 . 1 1 36 36 ILE CG1 C 13 27.849 0.300 . 1 . . . . 36 ILE CG1 . 11321 1 389 . 1 1 36 36 ILE CG2 C 13 17.794 0.300 . 1 . . . . 36 ILE CG2 . 11321 1 390 . 1 1 36 36 ILE N N 15 118.997 0.300 . 1 . . . . 36 ILE N . 11321 1 391 . 1 1 37 37 TYR H H 1 8.482 0.030 . 1 . . . . 37 TYR H . 11321 1 392 . 1 1 37 37 TYR HA H 1 4.889 0.030 . 1 . . . . 37 TYR HA . 11321 1 393 . 1 1 37 37 TYR HB2 H 1 2.848 0.030 . 2 . . . . 37 TYR HB2 . 11321 1 394 . 1 1 37 37 TYR HB3 H 1 2.714 0.030 . 2 . . . . 37 TYR HB3 . 11321 1 395 . 1 1 37 37 TYR HD1 H 1 7.042 0.030 . 1 . . . . 37 TYR HD1 . 11321 1 396 . 1 1 37 37 TYR HD2 H 1 7.042 0.030 . 1 . . . . 37 TYR HD2 . 11321 1 397 . 1 1 37 37 TYR HE1 H 1 6.662 0.030 . 1 . . . . 37 TYR HE1 . 11321 1 398 . 1 1 37 37 TYR HE2 H 1 6.662 0.030 . 1 . . . . 37 TYR HE2 . 11321 1 399 . 1 1 37 37 TYR CA C 13 56.533 0.300 . 1 . . . . 37 TYR CA . 11321 1 400 . 1 1 37 37 TYR CB C 13 41.112 0.300 . 1 . . . . 37 TYR CB . 11321 1 401 . 1 1 37 37 TYR CD1 C 13 133.675 0.300 . 1 . . . . 37 TYR CD1 . 11321 1 402 . 1 1 37 37 TYR CD2 C 13 133.675 0.300 . 1 . . . . 37 TYR CD2 . 11321 1 403 . 1 1 37 37 TYR CE1 C 13 118.556 0.300 . 1 . . . . 37 TYR CE1 . 11321 1 404 . 1 1 37 37 TYR CE2 C 13 118.556 0.300 . 1 . . . . 37 TYR CE2 . 11321 1 405 . 1 1 37 37 TYR N N 15 126.871 0.300 . 1 . . . . 37 TYR N . 11321 1 406 . 1 1 38 38 GLU H H 1 8.493 0.030 . 1 . . . . 38 GLU H . 11321 1 407 . 1 1 38 38 GLU HA H 1 4.280 0.030 . 1 . . . . 38 GLU HA . 11321 1 408 . 1 1 38 38 GLU HB2 H 1 1.802 0.030 . 2 . . . . 38 GLU HB2 . 11321 1 409 . 1 1 38 38 GLU HB3 H 1 2.051 0.030 . 2 . . . . 38 GLU HB3 . 11321 1 410 . 1 1 38 38 GLU HG2 H 1 2.113 0.030 . 2 . . . . 38 GLU HG2 . 11321 1 411 . 1 1 38 38 GLU HG3 H 1 2.171 0.030 . 2 . . . . 38 GLU HG3 . 11321 1 412 . 1 1 38 38 GLU CA C 13 55.804 0.300 . 1 . . . . 38 GLU CA . 11321 1 413 . 1 1 38 38 GLU CB C 13 30.730 0.300 . 1 . . . . 38 GLU CB . 11321 1 414 . 1 1 38 38 GLU CG C 13 36.277 0.300 . 1 . . . . 38 GLU CG . 11321 1 415 . 1 1 38 38 GLU N N 15 123.391 0.300 . 1 . . . . 38 GLU N . 11321 1 416 . 1 1 39 39 ARG HA H 1 4.039 0.030 . 1 . . . . 39 ARG HA . 11321 1 417 . 1 1 39 39 ARG HB2 H 1 1.626 0.030 . 2 . . . . 39 ARG HB2 . 11321 1 418 . 1 1 39 39 ARG HB3 H 1 1.775 0.030 . 2 . . . . 39 ARG HB3 . 11321 1 419 . 1 1 39 39 ARG HD2 H 1 3.130 0.030 . 1 . . . . 39 ARG HD2 . 11321 1 420 . 1 1 39 39 ARG HD3 H 1 3.130 0.030 . 1 . . . . 39 ARG HD3 . 11321 1 421 . 1 1 39 39 ARG HG2 H 1 1.451 0.030 . 1 . . . . 39 ARG HG2 . 11321 1 422 . 1 1 39 39 ARG HG3 H 1 1.451 0.030 . 1 . . . . 39 ARG HG3 . 11321 1 423 . 1 1 39 39 ARG C C 13 176.007 0.300 . 1 . . . . 39 ARG C . 11321 1 424 . 1 1 39 39 ARG CA C 13 56.846 0.300 . 1 . . . . 39 ARG CA . 11321 1 425 . 1 1 39 39 ARG CB C 13 30.772 0.300 . 1 . . . . 39 ARG CB . 11321 1 426 . 1 1 39 39 ARG CD C 13 43.270 0.300 . 1 . . . . 39 ARG CD . 11321 1 427 . 1 1 39 39 ARG CG C 13 27.179 0.300 . 1 . . . . 39 ARG CG . 11321 1 428 . 1 1 40 40 GLU H H 1 8.579 0.030 . 1 . . . . 40 GLU H . 11321 1 429 . 1 1 40 40 GLU HA H 1 4.196 0.030 . 1 . . . . 40 GLU HA . 11321 1 430 . 1 1 40 40 GLU HB2 H 1 1.899 0.030 . 2 . . . . 40 GLU HB2 . 11321 1 431 . 1 1 40 40 GLU HB3 H 1 2.068 0.030 . 2 . . . . 40 GLU HB3 . 11321 1 432 . 1 1 40 40 GLU HG2 H 1 2.194 0.030 . 1 . . . . 40 GLU HG2 . 11321 1 433 . 1 1 40 40 GLU HG3 H 1 2.194 0.030 . 1 . . . . 40 GLU HG3 . 11321 1 434 . 1 1 40 40 GLU C C 13 176.237 0.300 . 1 . . . . 40 GLU C . 11321 1 435 . 1 1 40 40 GLU CA C 13 56.881 0.300 . 1 . . . . 40 GLU CA . 11321 1 436 . 1 1 40 40 GLU CB C 13 29.087 0.300 . 1 . . . . 40 GLU CB . 11321 1 437 . 1 1 40 40 GLU CG C 13 36.502 0.300 . 1 . . . . 40 GLU CG . 11321 1 438 . 1 1 40 40 GLU N N 15 118.426 0.300 . 1 . . . . 40 GLU N . 11321 1 439 . 1 1 41 41 GLN H H 1 7.656 0.030 . 1 . . . . 41 GLN H . 11321 1 440 . 1 1 41 41 GLN HA H 1 4.322 0.030 . 1 . . . . 41 GLN HA . 11321 1 441 . 1 1 41 41 GLN HB2 H 1 2.040 0.030 . 2 . . . . 41 GLN HB2 . 11321 1 442 . 1 1 41 41 GLN HB3 H 1 2.217 0.030 . 2 . . . . 41 GLN HB3 . 11321 1 443 . 1 1 41 41 GLN HE21 H 1 6.886 0.030 . 2 . . . . 41 GLN HE21 . 11321 1 444 . 1 1 41 41 GLN HE22 H 1 7.625 0.030 . 2 . . . . 41 GLN HE22 . 11321 1 445 . 1 1 41 41 GLN HG2 H 1 2.336 0.030 . 1 . . . . 41 GLN HG2 . 11321 1 446 . 1 1 41 41 GLN HG3 H 1 2.336 0.030 . 1 . . . . 41 GLN HG3 . 11321 1 447 . 1 1 41 41 GLN C C 13 175.438 0.300 . 1 . . . . 41 GLN C . 11321 1 448 . 1 1 41 41 GLN CA C 13 55.588 0.300 . 1 . . . . 41 GLN CA . 11321 1 449 . 1 1 41 41 GLN CB C 13 29.662 0.300 . 1 . . . . 41 GLN CB . 11321 1 450 . 1 1 41 41 GLN CG C 13 34.060 0.300 . 1 . . . . 41 GLN CG . 11321 1 451 . 1 1 41 41 GLN N N 15 119.265 0.300 . 1 . . . . 41 GLN N . 11321 1 452 . 1 1 41 41 GLN NE2 N 15 112.757 0.300 . 1 . . . . 41 GLN NE2 . 11321 1 453 . 1 1 42 42 LEU H H 1 8.301 0.030 . 1 . . . . 42 LEU H . 11321 1 454 . 1 1 42 42 LEU HA H 1 4.141 0.030 . 1 . . . . 42 LEU HA . 11321 1 455 . 1 1 42 42 LEU HB2 H 1 1.776 0.030 . 2 . . . . 42 LEU HB2 . 11321 1 456 . 1 1 42 42 LEU HB3 H 1 1.490 0.030 . 2 . . . . 42 LEU HB3 . 11321 1 457 . 1 1 42 42 LEU HD11 H 1 1.005 0.030 . 1 . . . . 42 LEU HD1 . 11321 1 458 . 1 1 42 42 LEU HD12 H 1 1.005 0.030 . 1 . . . . 42 LEU HD1 . 11321 1 459 . 1 1 42 42 LEU HD13 H 1 1.005 0.030 . 1 . . . . 42 LEU HD1 . 11321 1 460 . 1 1 42 42 LEU HD21 H 1 0.875 0.030 . 1 . . . . 42 LEU HD2 . 11321 1 461 . 1 1 42 42 LEU HD22 H 1 0.875 0.030 . 1 . . . . 42 LEU HD2 . 11321 1 462 . 1 1 42 42 LEU HD23 H 1 0.875 0.030 . 1 . . . . 42 LEU HD2 . 11321 1 463 . 1 1 42 42 LEU HG H 1 1.787 0.030 . 1 . . . . 42 LEU HG . 11321 1 464 . 1 1 42 42 LEU C C 13 175.353 0.300 . 1 . . . . 42 LEU C . 11321 1 465 . 1 1 42 42 LEU CA C 13 56.470 0.300 . 1 . . . . 42 LEU CA . 11321 1 466 . 1 1 42 42 LEU CB C 13 42.366 0.300 . 1 . . . . 42 LEU CB . 11321 1 467 . 1 1 42 42 LEU CD1 C 13 25.404 0.300 . 2 . . . . 42 LEU CD1 . 11321 1 468 . 1 1 42 42 LEU CD2 C 13 23.406 0.300 . 2 . . . . 42 LEU CD2 . 11321 1 469 . 1 1 42 42 LEU CG C 13 27.179 0.300 . 1 . . . . 42 LEU CG . 11321 1 470 . 1 1 42 42 LEU N N 15 122.163 0.300 . 1 . . . . 42 LEU N . 11321 1 471 . 1 1 43 43 GLU H H 1 7.935 0.030 . 1 . . . . 43 GLU H . 11321 1 472 . 1 1 43 43 GLU HA H 1 4.116 0.030 . 1 . . . . 43 GLU HA . 11321 1 473 . 1 1 43 43 GLU HB2 H 1 0.406 0.030 . 1 . . . . 43 GLU HB2 . 11321 1 474 . 1 1 43 43 GLU HB3 H 1 0.406 0.030 . 1 . . . . 43 GLU HB3 . 11321 1 475 . 1 1 43 43 GLU HG2 H 1 0.661 0.030 . 2 . . . . 43 GLU HG2 . 11321 1 476 . 1 1 43 43 GLU HG3 H 1 1.044 0.030 . 2 . . . . 43 GLU HG3 . 11321 1 477 . 1 1 43 43 GLU C C 13 174.142 0.300 . 1 . . . . 43 GLU C . 11321 1 478 . 1 1 43 43 GLU CA C 13 53.609 0.300 . 1 . . . . 43 GLU CA . 11321 1 479 . 1 1 43 43 GLU CB C 13 29.461 0.300 . 1 . . . . 43 GLU CB . 11321 1 480 . 1 1 43 43 GLU CG C 13 34.426 0.300 . 1 . . . . 43 GLU CG . 11321 1 481 . 1 1 43 43 GLU N N 15 118.438 0.300 . 1 . . . . 43 GLU N . 11321 1 482 . 1 1 44 44 ALA H H 1 8.168 0.030 . 1 . . . . 44 ALA H . 11321 1 483 . 1 1 44 44 ALA HA H 1 4.283 0.030 . 1 . . . . 44 ALA HA . 11321 1 484 . 1 1 44 44 ALA HB1 H 1 0.433 0.030 . 1 . . . . 44 ALA HB . 11321 1 485 . 1 1 44 44 ALA HB2 H 1 0.433 0.030 . 1 . . . . 44 ALA HB . 11321 1 486 . 1 1 44 44 ALA HB3 H 1 0.433 0.030 . 1 . . . . 44 ALA HB . 11321 1 487 . 1 1 44 44 ALA C C 13 174.965 0.300 . 1 . . . . 44 ALA C . 11321 1 488 . 1 1 44 44 ALA CA C 13 50.547 0.300 . 1 . . . . 44 ALA CA . 11321 1 489 . 1 1 44 44 ALA CB C 13 22.252 0.300 . 1 . . . . 44 ALA CB . 11321 1 490 . 1 1 44 44 ALA N N 15 125.037 0.300 . 1 . . . . 44 ALA N . 11321 1 491 . 1 1 45 45 THR H H 1 7.916 0.030 . 1 . . . . 45 THR H . 11321 1 492 . 1 1 45 45 THR HA H 1 4.837 0.030 . 1 . . . . 45 THR HA . 11321 1 493 . 1 1 45 45 THR HB H 1 3.529 0.030 . 1 . . . . 45 THR HB . 11321 1 494 . 1 1 45 45 THR HG21 H 1 0.805 0.030 . 1 . . . . 45 THR HG2 . 11321 1 495 . 1 1 45 45 THR HG22 H 1 0.805 0.030 . 1 . . . . 45 THR HG2 . 11321 1 496 . 1 1 45 45 THR HG23 H 1 0.805 0.030 . 1 . . . . 45 THR HG2 . 11321 1 497 . 1 1 45 45 THR C C 13 173.100 0.300 . 1 . . . . 45 THR C . 11321 1 498 . 1 1 45 45 THR CA C 13 60.734 0.300 . 1 . . . . 45 THR CA . 11321 1 499 . 1 1 45 45 THR CB C 13 70.513 0.300 . 1 . . . . 45 THR CB . 11321 1 500 . 1 1 45 45 THR CG2 C 13 20.988 0.300 . 1 . . . . 45 THR CG2 . 11321 1 501 . 1 1 45 45 THR N N 15 116.056 0.300 . 1 . . . . 45 THR N . 11321 1 502 . 1 1 46 46 CYS H H 1 8.676 0.030 . 1 . . . . 46 CYS H . 11321 1 503 . 1 1 46 46 CYS HA H 1 3.672 0.030 . 1 . . . . 46 CYS HA . 11321 1 504 . 1 1 46 46 CYS HB2 H 1 3.208 0.030 . 1 . . . . 46 CYS HB2 . 11321 1 505 . 1 1 46 46 CYS HB3 H 1 3.208 0.030 . 1 . . . . 46 CYS HB3 . 11321 1 506 . 1 1 46 46 CYS C C 13 175.838 0.300 . 1 . . . . 46 CYS C . 11321 1 507 . 1 1 46 46 CYS CA C 13 56.421 0.300 . 1 . . . . 46 CYS CA . 11321 1 508 . 1 1 46 46 CYS CB C 13 32.747 0.300 . 1 . . . . 46 CYS CB . 11321 1 509 . 1 1 46 46 CYS N N 15 131.523 0.300 . 1 . . . . 46 CYS N . 11321 1 510 . 1 1 47 47 PRO HA H 1 4.174 0.030 . 1 . . . . 47 PRO HA . 11321 1 511 . 1 1 47 47 PRO HB2 H 1 2.219 0.030 . 2 . . . . 47 PRO HB2 . 11321 1 512 . 1 1 47 47 PRO HB3 H 1 1.756 0.030 . 2 . . . . 47 PRO HB3 . 11321 1 513 . 1 1 47 47 PRO HD2 H 1 2.836 0.030 . 2 . . . . 47 PRO HD2 . 11321 1 514 . 1 1 47 47 PRO HD3 H 1 3.071 0.030 . 2 . . . . 47 PRO HD3 . 11321 1 515 . 1 1 47 47 PRO HG2 H 1 1.841 0.030 . 2 . . . . 47 PRO HG2 . 11321 1 516 . 1 1 47 47 PRO HG3 H 1 1.813 0.030 . 2 . . . . 47 PRO HG3 . 11321 1 517 . 1 1 47 47 PRO C C 13 175.789 0.300 . 1 . . . . 47 PRO C . 11321 1 518 . 1 1 47 47 PRO CA C 13 63.571 0.300 . 1 . . . . 47 PRO CA . 11321 1 519 . 1 1 47 47 PRO CB C 13 32.417 0.300 . 1 . . . . 47 PRO CB . 11321 1 520 . 1 1 47 47 PRO CD C 13 50.341 0.300 . 1 . . . . 47 PRO CD . 11321 1 521 . 1 1 47 47 PRO CG C 13 27.179 0.300 . 1 . . . . 47 PRO CG . 11321 1 522 . 1 1 48 48 GLN H H 1 8.900 0.030 . 1 . . . . 48 GLN H . 11321 1 523 . 1 1 48 48 GLN HA H 1 3.946 0.030 . 1 . . . . 48 GLN HA . 11321 1 524 . 1 1 48 48 GLN HB2 H 1 1.557 0.030 . 1 . . . . 48 GLN HB2 . 11321 1 525 . 1 1 48 48 GLN HB3 H 1 1.557 0.030 . 1 . . . . 48 GLN HB3 . 11321 1 526 . 1 1 48 48 GLN HE21 H 1 6.856 0.030 . 1 . . . . 48 GLN HE21 . 11321 1 527 . 1 1 48 48 GLN HE22 H 1 6.856 0.030 . 1 . . . . 48 GLN HE22 . 11321 1 528 . 1 1 48 48 GLN HG2 H 1 1.565 0.030 . 2 . . . . 48 GLN HG2 . 11321 1 529 . 1 1 48 48 GLN HG3 H 1 1.749 0.030 . 2 . . . . 48 GLN HG3 . 11321 1 530 . 1 1 48 48 GLN C C 13 175.923 0.300 . 1 . . . . 48 GLN C . 11321 1 531 . 1 1 48 48 GLN CA C 13 57.599 0.300 . 1 . . . . 48 GLN CA . 11321 1 532 . 1 1 48 48 GLN CB C 13 29.868 0.300 . 1 . . . . 48 GLN CB . 11321 1 533 . 1 1 48 48 GLN CG C 13 34.282 0.300 . 1 . . . . 48 GLN CG . 11321 1 534 . 1 1 48 48 GLN N N 15 120.632 0.300 . 1 . . . . 48 GLN N . 11321 1 535 . 1 1 48 48 GLN NE2 N 15 112.544 0.300 . 1 . . . . 48 GLN NE2 . 11321 1 536 . 1 1 49 49 CYS H H 1 8.824 0.030 . 1 . . . . 49 CYS H . 11321 1 537 . 1 1 49 49 CYS HA H 1 4.633 0.030 . 1 . . . . 49 CYS HA . 11321 1 538 . 1 1 49 49 CYS HB2 H 1 3.122 0.030 . 2 . . . . 49 CYS HB2 . 11321 1 539 . 1 1 49 49 CYS HB3 H 1 2.615 0.030 . 2 . . . . 49 CYS HB3 . 11321 1 540 . 1 1 49 49 CYS C C 13 176.928 0.300 . 1 . . . . 49 CYS C . 11321 1 541 . 1 1 49 49 CYS CA C 13 58.746 0.300 . 1 . . . . 49 CYS CA . 11321 1 542 . 1 1 49 49 CYS CB C 13 31.718 0.300 . 1 . . . . 49 CYS CB . 11321 1 543 . 1 1 49 49 CYS N N 15 119.593 0.300 . 1 . . . . 49 CYS N . 11321 1 544 . 1 1 50 50 HIS H H 1 7.463 0.030 . 1 . . . . 50 HIS H . 11321 1 545 . 1 1 50 50 HIS HA H 1 4.356 0.030 . 1 . . . . 50 HIS HA . 11321 1 546 . 1 1 50 50 HIS HB2 H 1 3.421 0.030 . 2 . . . . 50 HIS HB2 . 11321 1 547 . 1 1 50 50 HIS HB3 H 1 3.268 0.030 . 2 . . . . 50 HIS HB3 . 11321 1 548 . 1 1 50 50 HIS HD2 H 1 6.867 0.030 . 1 . . . . 50 HIS HD2 . 11321 1 549 . 1 1 50 50 HIS HE1 H 1 8.024 0.030 . 1 . . . . 50 HIS HE1 . 11321 1 550 . 1 1 50 50 HIS C C 13 173.887 0.300 . 1 . . . . 50 HIS C . 11321 1 551 . 1 1 50 50 HIS CA C 13 57.173 0.300 . 1 . . . . 50 HIS CA . 11321 1 552 . 1 1 50 50 HIS CB C 13 26.554 0.300 . 1 . . . . 50 HIS CB . 11321 1 553 . 1 1 50 50 HIS CD2 C 13 119.360 0.300 . 1 . . . . 50 HIS CD2 . 11321 1 554 . 1 1 50 50 HIS CE1 C 13 136.971 0.300 . 1 . . . . 50 HIS CE1 . 11321 1 555 . 1 1 50 50 HIS N N 15 116.074 0.300 . 1 . . . . 50 HIS N . 11321 1 556 . 1 1 51 51 GLN H H 1 8.450 0.030 . 1 . . . . 51 GLN H . 11321 1 557 . 1 1 51 51 GLN HA H 1 4.490 0.030 . 1 . . . . 51 GLN HA . 11321 1 558 . 1 1 51 51 GLN HB2 H 1 2.142 0.030 . 2 . . . . 51 GLN HB2 . 11321 1 559 . 1 1 51 51 GLN HB3 H 1 2.265 0.030 . 2 . . . . 51 GLN HB3 . 11321 1 560 . 1 1 51 51 GLN HE21 H 1 6.908 0.030 . 2 . . . . 51 GLN HE21 . 11321 1 561 . 1 1 51 51 GLN HE22 H 1 7.651 0.030 . 2 . . . . 51 GLN HE22 . 11321 1 562 . 1 1 51 51 GLN HG2 H 1 2.345 0.030 . 2 . . . . 51 GLN HG2 . 11321 1 563 . 1 1 51 51 GLN HG3 H 1 2.401 0.030 . 2 . . . . 51 GLN HG3 . 11321 1 564 . 1 1 51 51 GLN C C 13 175.305 0.300 . 1 . . . . 51 GLN C . 11321 1 565 . 1 1 51 51 GLN CA C 13 56.510 0.300 . 1 . . . . 51 GLN CA . 11321 1 566 . 1 1 51 51 GLN CB C 13 29.843 0.300 . 1 . . . . 51 GLN CB . 11321 1 567 . 1 1 51 51 GLN CG C 13 34.726 0.300 . 1 . . . . 51 GLN CG . 11321 1 568 . 1 1 51 51 GLN N N 15 121.802 0.300 . 1 . . . . 51 GLN N . 11321 1 569 . 1 1 51 51 GLN NE2 N 15 113.124 0.300 . 1 . . . . 51 GLN NE2 . 11321 1 570 . 1 1 52 52 THR H H 1 8.786 0.030 . 1 . . . . 52 THR H . 11321 1 571 . 1 1 52 52 THR HA H 1 5.480 0.030 . 1 . . . . 52 THR HA . 11321 1 572 . 1 1 52 52 THR HB H 1 3.924 0.030 . 1 . . . . 52 THR HB . 11321 1 573 . 1 1 52 52 THR HG21 H 1 0.814 0.030 . 1 . . . . 52 THR HG2 . 11321 1 574 . 1 1 52 52 THR HG22 H 1 0.814 0.030 . 1 . . . . 52 THR HG2 . 11321 1 575 . 1 1 52 52 THR HG23 H 1 0.814 0.030 . 1 . . . . 52 THR HG2 . 11321 1 576 . 1 1 52 52 THR C C 13 174.614 0.300 . 1 . . . . 52 THR C . 11321 1 577 . 1 1 52 52 THR CA C 13 61.348 0.300 . 1 . . . . 52 THR CA . 11321 1 578 . 1 1 52 52 THR CB C 13 69.622 0.300 . 1 . . . . 52 THR CB . 11321 1 579 . 1 1 52 52 THR CG2 C 13 21.563 0.300 . 1 . . . . 52 THR CG2 . 11321 1 580 . 1 1 52 52 THR N N 15 120.956 0.300 . 1 . . . . 52 THR N . 11321 1 581 . 1 1 53 53 PHE H H 1 9.076 0.030 . 1 . . . . 53 PHE H . 11321 1 582 . 1 1 53 53 PHE HA H 1 5.459 0.030 . 1 . . . . 53 PHE HA . 11321 1 583 . 1 1 53 53 PHE HB2 H 1 2.914 0.030 . 2 . . . . 53 PHE HB2 . 11321 1 584 . 1 1 53 53 PHE HB3 H 1 2.659 0.030 . 2 . . . . 53 PHE HB3 . 11321 1 585 . 1 1 53 53 PHE HD1 H 1 7.114 0.030 . 1 . . . . 53 PHE HD1 . 11321 1 586 . 1 1 53 53 PHE HD2 H 1 7.114 0.030 . 1 . . . . 53 PHE HD2 . 11321 1 587 . 1 1 53 53 PHE HE1 H 1 7.293 0.030 . 1 . . . . 53 PHE HE1 . 11321 1 588 . 1 1 53 53 PHE HE2 H 1 7.293 0.030 . 1 . . . . 53 PHE HE2 . 11321 1 589 . 1 1 53 53 PHE HZ H 1 7.283 0.030 . 1 . . . . 53 PHE HZ . 11321 1 590 . 1 1 53 53 PHE C C 13 173.015 0.300 . 1 . . . . 53 PHE C . 11321 1 591 . 1 1 53 53 PHE CA C 13 55.555 0.300 . 1 . . . . 53 PHE CA . 11321 1 592 . 1 1 53 53 PHE CB C 13 42.571 0.300 . 1 . . . . 53 PHE CB . 11321 1 593 . 1 1 53 53 PHE CD1 C 13 133.542 0.300 . 1 . . . . 53 PHE CD1 . 11321 1 594 . 1 1 53 53 PHE CD2 C 13 133.542 0.300 . 1 . . . . 53 PHE CD2 . 11321 1 595 . 1 1 53 53 PHE CE1 C 13 130.806 0.300 . 1 . . . . 53 PHE CE1 . 11321 1 596 . 1 1 53 53 PHE CE2 C 13 130.806 0.300 . 1 . . . . 53 PHE CE2 . 11321 1 597 . 1 1 53 53 PHE CZ C 13 129.746 0.300 . 1 . . . . 53 PHE CZ . 11321 1 598 . 1 1 53 53 PHE N N 15 124.264 0.300 . 1 . . . . 53 PHE N . 11321 1 599 . 1 1 54 54 CYS H H 1 8.579 0.030 . 1 . . . . 54 CYS H . 11321 1 600 . 1 1 54 54 CYS HA H 1 4.690 0.030 . 1 . . . . 54 CYS HA . 11321 1 601 . 1 1 54 54 CYS HB2 H 1 3.619 0.030 . 2 . . . . 54 CYS HB2 . 11321 1 602 . 1 1 54 54 CYS HB3 H 1 2.944 0.030 . 2 . . . . 54 CYS HB3 . 11321 1 603 . 1 1 54 54 CYS C C 13 178.188 0.300 . 1 . . . . 54 CYS C . 11321 1 604 . 1 1 54 54 CYS CA C 13 58.749 0.300 . 1 . . . . 54 CYS CA . 11321 1 605 . 1 1 54 54 CYS CB C 13 31.630 0.300 . 1 . . . . 54 CYS CB . 11321 1 606 . 1 1 54 54 CYS N N 15 121.072 0.300 . 1 . . . . 54 CYS N . 11321 1 607 . 1 1 55 55 VAL H H 1 8.985 0.030 . 1 . . . . 55 VAL H . 11321 1 608 . 1 1 55 55 VAL HA H 1 3.757 0.030 . 1 . . . . 55 VAL HA . 11321 1 609 . 1 1 55 55 VAL HB H 1 1.988 0.030 . 1 . . . . 55 VAL HB . 11321 1 610 . 1 1 55 55 VAL HG11 H 1 0.558 0.030 . 1 . . . . 55 VAL HG1 . 11321 1 611 . 1 1 55 55 VAL HG12 H 1 0.558 0.030 . 1 . . . . 55 VAL HG1 . 11321 1 612 . 1 1 55 55 VAL HG13 H 1 0.558 0.030 . 1 . . . . 55 VAL HG1 . 11321 1 613 . 1 1 55 55 VAL HG21 H 1 0.819 0.030 . 1 . . . . 55 VAL HG2 . 11321 1 614 . 1 1 55 55 VAL HG22 H 1 0.819 0.030 . 1 . . . . 55 VAL HG2 . 11321 1 615 . 1 1 55 55 VAL HG23 H 1 0.819 0.030 . 1 . . . . 55 VAL HG2 . 11321 1 616 . 1 1 55 55 VAL C C 13 175.983 0.300 . 1 . . . . 55 VAL C . 11321 1 617 . 1 1 55 55 VAL CA C 13 65.239 0.300 . 1 . . . . 55 VAL CA . 11321 1 618 . 1 1 55 55 VAL CB C 13 31.617 0.300 . 1 . . . . 55 VAL CB . 11321 1 619 . 1 1 55 55 VAL CG1 C 13 22.296 0.300 . 2 . . . . 55 VAL CG1 . 11321 1 620 . 1 1 55 55 VAL CG2 C 13 20.298 0.300 . 2 . . . . 55 VAL CG2 . 11321 1 621 . 1 1 56 56 ARG H H 1 9.173 0.030 . 1 . . . . 56 ARG H . 11321 1 622 . 1 1 56 56 ARG HA H 1 4.440 0.030 . 1 . . . . 56 ARG HA . 11321 1 623 . 1 1 56 56 ARG HB2 H 1 1.895 0.030 . 2 . . . . 56 ARG HB2 . 11321 1 624 . 1 1 56 56 ARG HB3 H 1 2.023 0.030 . 2 . . . . 56 ARG HB3 . 11321 1 625 . 1 1 56 56 ARG HD2 H 1 3.245 0.030 . 2 . . . . 56 ARG HD2 . 11321 1 626 . 1 1 56 56 ARG HD3 H 1 3.340 0.030 . 2 . . . . 56 ARG HD3 . 11321 1 627 . 1 1 56 56 ARG HG2 H 1 1.695 0.030 . 1 . . . . 56 ARG HG2 . 11321 1 628 . 1 1 56 56 ARG HG3 H 1 1.695 0.030 . 1 . . . . 56 ARG HG3 . 11321 1 629 . 1 1 56 56 ARG C C 13 177.316 0.300 . 1 . . . . 56 ARG C . 11321 1 630 . 1 1 56 56 ARG CA C 13 58.745 0.300 . 1 . . . . 56 ARG CA . 11321 1 631 . 1 1 56 56 ARG CB C 13 31.832 0.300 . 1 . . . . 56 ARG CB . 11321 1 632 . 1 1 56 56 ARG CD C 13 43.600 0.300 . 1 . . . . 56 ARG CD . 11321 1 633 . 1 1 56 56 ARG CG C 13 28.013 0.300 . 1 . . . . 56 ARG CG . 11321 1 634 . 1 1 56 56 ARG N N 15 122.897 0.300 . 1 . . . . 56 ARG N . 11321 1 635 . 1 1 57 57 CYS H H 1 8.945 0.030 . 1 . . . . 57 CYS H . 11321 1 636 . 1 1 57 57 CYS HA H 1 4.984 0.030 . 1 . . . . 57 CYS HA . 11321 1 637 . 1 1 57 57 CYS HB2 H 1 3.294 0.030 . 2 . . . . 57 CYS HB2 . 11321 1 638 . 1 1 57 57 CYS HB3 H 1 3.411 0.030 . 2 . . . . 57 CYS HB3 . 11321 1 639 . 1 1 57 57 CYS C C 13 176.516 0.300 . 1 . . . . 57 CYS C . 11321 1 640 . 1 1 57 57 CYS CA C 13 59.593 0.300 . 1 . . . . 57 CYS CA . 11321 1 641 . 1 1 57 57 CYS CB C 13 31.677 0.300 . 1 . . . . 57 CYS CB . 11321 1 642 . 1 1 57 57 CYS N N 15 119.446 0.300 . 1 . . . . 57 CYS N . 11321 1 643 . 1 1 58 58 LYS H H 1 8.134 0.030 . 1 . . . . 58 LYS H . 11321 1 644 . 1 1 58 58 LYS HA H 1 4.364 0.030 . 1 . . . . 58 LYS HA . 11321 1 645 . 1 1 58 58 LYS HB2 H 1 2.293 0.030 . 2 . . . . 58 LYS HB2 . 11321 1 646 . 1 1 58 58 LYS HB3 H 1 2.021 0.030 . 2 . . . . 58 LYS HB3 . 11321 1 647 . 1 1 58 58 LYS HD2 H 1 1.610 0.030 . 2 . . . . 58 LYS HD2 . 11321 1 648 . 1 1 58 58 LYS HD3 H 1 1.745 0.030 . 2 . . . . 58 LYS HD3 . 11321 1 649 . 1 1 58 58 LYS HE2 H 1 3.050 0.030 . 1 . . . . 58 LYS HE2 . 11321 1 650 . 1 1 58 58 LYS HE3 H 1 3.050 0.030 . 1 . . . . 58 LYS HE3 . 11321 1 651 . 1 1 58 58 LYS HG2 H 1 1.303 0.030 . 2 . . . . 58 LYS HG2 . 11321 1 652 . 1 1 58 58 LYS HG3 H 1 1.424 0.030 . 2 . . . . 58 LYS HG3 . 11321 1 653 . 1 1 58 58 LYS C C 13 175.474 0.300 . 1 . . . . 58 LYS C . 11321 1 654 . 1 1 58 58 LYS CA C 13 57.912 0.300 . 1 . . . . 58 LYS CA . 11321 1 655 . 1 1 58 58 LYS CB C 13 28.758 0.300 . 1 . . . . 58 LYS CB . 11321 1 656 . 1 1 58 58 LYS CD C 13 28.561 0.300 . 1 . . . . 58 LYS CD . 11321 1 657 . 1 1 58 58 LYS CE C 13 42.941 0.300 . 1 . . . . 58 LYS CE . 11321 1 658 . 1 1 58 58 LYS CG C 13 25.099 0.300 . 1 . . . . 58 LYS CG . 11321 1 659 . 1 1 58 58 LYS N N 15 116.426 0.300 . 1 . . . . 58 LYS N . 11321 1 660 . 1 1 59 59 ARG H H 1 7.993 0.030 . 1 . . . . 59 ARG H . 11321 1 661 . 1 1 59 59 ARG HA H 1 4.550 0.030 . 1 . . . . 59 ARG HA . 11321 1 662 . 1 1 59 59 ARG HB2 H 1 2.114 0.030 . 1 . . . . 59 ARG HB2 . 11321 1 663 . 1 1 59 59 ARG HB3 H 1 2.114 0.030 . 1 . . . . 59 ARG HB3 . 11321 1 664 . 1 1 59 59 ARG HD2 H 1 3.394 0.030 . 2 . . . . 59 ARG HD2 . 11321 1 665 . 1 1 59 59 ARG HD3 H 1 3.453 0.030 . 2 . . . . 59 ARG HD3 . 11321 1 666 . 1 1 59 59 ARG HG2 H 1 1.923 0.030 . 2 . . . . 59 ARG HG2 . 11321 1 667 . 1 1 59 59 ARG HG3 H 1 2.040 0.030 . 2 . . . . 59 ARG HG3 . 11321 1 668 . 1 1 59 59 ARG C C 13 176.589 0.300 . 1 . . . . 59 ARG C . 11321 1 669 . 1 1 59 59 ARG CA C 13 56.043 0.300 . 1 . . . . 59 ARG CA . 11321 1 670 . 1 1 59 59 ARG CB C 13 31.320 0.300 . 1 . . . . 59 ARG CB . 11321 1 671 . 1 1 59 59 ARG CD C 13 43.479 0.300 . 1 . . . . 59 ARG CD . 11321 1 672 . 1 1 59 59 ARG CG C 13 28.955 0.300 . 1 . . . . 59 ARG CG . 11321 1 673 . 1 1 59 59 ARG N N 15 119.231 0.300 . 1 . . . . 59 ARG N . 11321 1 674 . 1 1 60 60 GLN H H 1 8.849 0.030 . 1 . . . . 60 GLN H . 11321 1 675 . 1 1 60 60 GLN HA H 1 4.257 0.030 . 1 . . . . 60 GLN HA . 11321 1 676 . 1 1 60 60 GLN HB2 H 1 2.134 0.030 . 2 . . . . 60 GLN HB2 . 11321 1 677 . 1 1 60 60 GLN HB3 H 1 2.185 0.030 . 2 . . . . 60 GLN HB3 . 11321 1 678 . 1 1 60 60 GLN HE21 H 1 6.976 0.030 . 2 . . . . 60 GLN HE21 . 11321 1 679 . 1 1 60 60 GLN HE22 H 1 7.710 0.030 . 2 . . . . 60 GLN HE22 . 11321 1 680 . 1 1 60 60 GLN HG2 H 1 2.483 0.030 . 2 . . . . 60 GLN HG2 . 11321 1 681 . 1 1 60 60 GLN HG3 H 1 2.585 0.030 . 2 . . . . 60 GLN HG3 . 11321 1 682 . 1 1 60 60 GLN C C 13 176.516 0.300 . 1 . . . . 60 GLN C . 11321 1 683 . 1 1 60 60 GLN CA C 13 57.332 0.300 . 1 . . . . 60 GLN CA . 11321 1 684 . 1 1 60 60 GLN CB C 13 28.635 0.300 . 1 . . . . 60 GLN CB . 11321 1 685 . 1 1 60 60 GLN CG C 13 34.226 0.300 . 1 . . . . 60 GLN CG . 11321 1 686 . 1 1 60 60 GLN N N 15 121.207 0.300 . 1 . . . . 60 GLN N . 11321 1 687 . 1 1 60 60 GLN NE2 N 15 112.290 0.300 . 1 . . . . 60 GLN NE2 . 11321 1 688 . 1 1 61 61 TRP H H 1 9.033 0.030 . 1 . . . . 61 TRP H . 11321 1 689 . 1 1 61 61 TRP HA H 1 4.020 0.030 . 1 . . . . 61 TRP HA . 11321 1 690 . 1 1 61 61 TRP HB2 H 1 2.542 0.030 . 2 . . . . 61 TRP HB2 . 11321 1 691 . 1 1 61 61 TRP HB3 H 1 2.800 0.030 . 2 . . . . 61 TRP HB3 . 11321 1 692 . 1 1 61 61 TRP HD1 H 1 6.867 0.030 . 1 . . . . 61 TRP HD1 . 11321 1 693 . 1 1 61 61 TRP HE1 H 1 9.405 0.030 . 1 . . . . 61 TRP HE1 . 11321 1 694 . 1 1 61 61 TRP HE3 H 1 6.929 0.030 . 1 . . . . 61 TRP HE3 . 11321 1 695 . 1 1 61 61 TRP HH2 H 1 6.658 0.030 . 1 . . . . 61 TRP HH2 . 11321 1 696 . 1 1 61 61 TRP HZ2 H 1 6.874 0.030 . 1 . . . . 61 TRP HZ2 . 11321 1 697 . 1 1 61 61 TRP HZ3 H 1 6.245 0.030 . 1 . . . . 61 TRP HZ3 . 11321 1 698 . 1 1 61 61 TRP C C 13 175.256 0.300 . 1 . . . . 61 TRP C . 11321 1 699 . 1 1 61 61 TRP CA C 13 58.675 0.300 . 1 . . . . 61 TRP CA . 11321 1 700 . 1 1 61 61 TRP CB C 13 30.526 0.300 . 1 . . . . 61 TRP CB . 11321 1 701 . 1 1 61 61 TRP CD1 C 13 126.590 0.300 . 1 . . . . 61 TRP CD1 . 11321 1 702 . 1 1 61 61 TRP CE3 C 13 118.733 0.300 . 1 . . . . 61 TRP CE3 . 11321 1 703 . 1 1 61 61 TRP CH2 C 13 123.705 0.300 . 1 . . . . 61 TRP CH2 . 11321 1 704 . 1 1 61 61 TRP CZ2 C 13 113.637 0.300 . 1 . . . . 61 TRP CZ2 . 11321 1 705 . 1 1 61 61 TRP CZ3 C 13 121.745 0.300 . 1 . . . . 61 TRP CZ3 . 11321 1 706 . 1 1 61 61 TRP N N 15 127.743 0.300 . 1 . . . . 61 TRP N . 11321 1 707 . 1 1 61 61 TRP NE1 N 15 128.617 0.300 . 1 . . . . 61 TRP NE1 . 11321 1 708 . 1 1 62 62 GLU H H 1 5.894 0.030 . 1 . . . . 62 GLU H . 11321 1 709 . 1 1 62 62 GLU HA H 1 4.409 0.030 . 1 . . . . 62 GLU HA . 11321 1 710 . 1 1 62 62 GLU HB2 H 1 1.603 0.030 . 2 . . . . 62 GLU HB2 . 11321 1 711 . 1 1 62 62 GLU HB3 H 1 2.325 0.030 . 2 . . . . 62 GLU HB3 . 11321 1 712 . 1 1 62 62 GLU HG2 H 1 2.168 0.030 . 2 . . . . 62 GLU HG2 . 11321 1 713 . 1 1 62 62 GLU HG3 H 1 2.339 0.030 . 2 . . . . 62 GLU HG3 . 11321 1 714 . 1 1 62 62 GLU C C 13 175.401 0.300 . 1 . . . . 62 GLU C . 11321 1 715 . 1 1 62 62 GLU CA C 13 54.062 0.300 . 1 . . . . 62 GLU CA . 11321 1 716 . 1 1 62 62 GLU CB C 13 33.609 0.300 . 1 . . . . 62 GLU CB . 11321 1 717 . 1 1 62 62 GLU CG C 13 37.244 0.300 . 1 . . . . 62 GLU CG . 11321 1 718 . 1 1 62 62 GLU N N 15 123.347 0.300 . 1 . . . . 62 GLU N . 11321 1 719 . 1 1 63 63 GLU H H 1 8.935 0.030 . 1 . . . . 63 GLU H . 11321 1 720 . 1 1 63 63 GLU HA H 1 3.780 0.030 . 1 . . . . 63 GLU HA . 11321 1 721 . 1 1 63 63 GLU HB2 H 1 1.939 0.030 . 2 . . . . 63 GLU HB2 . 11321 1 722 . 1 1 63 63 GLU HB3 H 1 1.974 0.030 . 2 . . . . 63 GLU HB3 . 11321 1 723 . 1 1 63 63 GLU HG2 H 1 2.328 0.030 . 1 . . . . 63 GLU HG2 . 11321 1 724 . 1 1 63 63 GLU HG3 H 1 2.328 0.030 . 1 . . . . 63 GLU HG3 . 11321 1 725 . 1 1 63 63 GLU C C 13 178.454 0.300 . 1 . . . . 63 GLU C . 11321 1 726 . 1 1 63 63 GLU CA C 13 58.911 0.300 . 1 . . . . 63 GLU CA . 11321 1 727 . 1 1 63 63 GLU CB C 13 29.177 0.300 . 1 . . . . 63 GLU CB . 11321 1 728 . 1 1 63 63 GLU CG C 13 36.035 0.300 . 1 . . . . 63 GLU CG . 11321 1 729 . 1 1 63 63 GLU N N 15 122.146 0.300 . 1 . . . . 63 GLU N . 11321 1 730 . 1 1 64 64 GLN H H 1 8.251 0.030 . 1 . . . . 64 GLN H . 11321 1 731 . 1 1 64 64 GLN HA H 1 3.765 0.030 . 1 . . . . 64 GLN HA . 11321 1 732 . 1 1 64 64 GLN HB2 H 1 1.208 0.030 . 2 . . . . 64 GLN HB2 . 11321 1 733 . 1 1 64 64 GLN HB3 H 1 1.001 0.030 . 2 . . . . 64 GLN HB3 . 11321 1 734 . 1 1 64 64 GLN HE21 H 1 6.736 0.030 . 2 . . . . 64 GLN HE21 . 11321 1 735 . 1 1 64 64 GLN HE22 H 1 7.190 0.030 . 2 . . . . 64 GLN HE22 . 11321 1 736 . 1 1 64 64 GLN HG2 H 1 1.621 0.030 . 2 . . . . 64 GLN HG2 . 11321 1 737 . 1 1 64 64 GLN HG3 H 1 1.771 0.030 . 2 . . . . 64 GLN HG3 . 11321 1 738 . 1 1 64 64 GLN C C 13 175.656 0.300 . 1 . . . . 64 GLN C . 11321 1 739 . 1 1 64 64 GLN CA C 13 58.120 0.300 . 1 . . . . 64 GLN CA . 11321 1 740 . 1 1 64 64 GLN CB C 13 26.415 0.300 . 1 . . . . 64 GLN CB . 11321 1 741 . 1 1 64 64 GLN CG C 13 33.614 0.300 . 1 . . . . 64 GLN CG . 11321 1 742 . 1 1 64 64 GLN N N 15 116.319 0.300 . 1 . . . . 64 GLN N . 11321 1 743 . 1 1 64 64 GLN NE2 N 15 110.806 0.300 . 1 . . . . 64 GLN NE2 . 11321 1 744 . 1 1 65 65 HIS H H 1 7.660 0.030 . 1 . . . . 65 HIS H . 11321 1 745 . 1 1 65 65 HIS HA H 1 3.751 0.030 . 1 . . . . 65 HIS HA . 11321 1 746 . 1 1 65 65 HIS HB2 H 1 0.933 0.030 . 2 . . . . 65 HIS HB2 . 11321 1 747 . 1 1 65 65 HIS HB3 H 1 1.044 0.030 . 2 . . . . 65 HIS HB3 . 11321 1 748 . 1 1 65 65 HIS HD2 H 1 6.097 0.030 . 1 . . . . 65 HIS HD2 . 11321 1 749 . 1 1 65 65 HIS HE1 H 1 7.909 0.030 . 1 . . . . 65 HIS HE1 . 11321 1 750 . 1 1 65 65 HIS C C 13 178.006 0.300 . 1 . . . . 65 HIS C . 11321 1 751 . 1 1 65 65 HIS CA C 13 54.695 0.300 . 1 . . . . 65 HIS CA . 11321 1 752 . 1 1 65 65 HIS CB C 13 27.072 0.300 . 1 . . . . 65 HIS CB . 11321 1 753 . 1 1 65 65 HIS CD2 C 13 127.023 0.300 . 1 . . . . 65 HIS CD2 . 11321 1 754 . 1 1 65 65 HIS CE1 C 13 138.553 0.300 . 1 . . . . 65 HIS CE1 . 11321 1 755 . 1 1 65 65 HIS N N 15 117.011 0.300 . 1 . . . . 65 HIS N . 11321 1 756 . 1 1 66 66 ARG H H 1 7.805 0.030 . 1 . . . . 66 ARG H . 11321 1 757 . 1 1 66 66 ARG HA H 1 4.122 0.030 . 1 . . . . 66 ARG HA . 11321 1 758 . 1 1 66 66 ARG HB2 H 1 1.946 0.030 . 2 . . . . 66 ARG HB2 . 11321 1 759 . 1 1 66 66 ARG HB3 H 1 1.998 0.030 . 2 . . . . 66 ARG HB3 . 11321 1 760 . 1 1 66 66 ARG HD2 H 1 3.226 0.030 . 2 . . . . 66 ARG HD2 . 11321 1 761 . 1 1 66 66 ARG HD3 H 1 3.440 0.030 . 2 . . . . 66 ARG HD3 . 11321 1 762 . 1 1 66 66 ARG HG2 H 1 1.691 0.030 . 2 . . . . 66 ARG HG2 . 11321 1 763 . 1 1 66 66 ARG HG3 H 1 1.842 0.030 . 2 . . . . 66 ARG HG3 . 11321 1 764 . 1 1 66 66 ARG C C 13 177.146 0.300 . 1 . . . . 66 ARG C . 11321 1 765 . 1 1 66 66 ARG CA C 13 59.124 0.300 . 1 . . . . 66 ARG CA . 11321 1 766 . 1 1 66 66 ARG CB C 13 29.416 0.300 . 1 . . . . 66 ARG CB . 11321 1 767 . 1 1 66 66 ARG CD C 13 42.695 0.300 . 1 . . . . 66 ARG CD . 11321 1 768 . 1 1 66 66 ARG CG C 13 27.096 0.300 . 1 . . . . 66 ARG CG . 11321 1 769 . 1 1 66 66 ARG N N 15 122.784 0.300 . 1 . . . . 66 ARG N . 11321 1 770 . 1 1 67 67 GLY H H 1 9.075 0.030 . 1 . . . . 67 GLY H . 11321 1 771 . 1 1 67 67 GLY HA2 H 1 3.806 0.030 . 2 . . . . 67 GLY HA2 . 11321 1 772 . 1 1 67 67 GLY HA3 H 1 4.102 0.030 . 2 . . . . 67 GLY HA3 . 11321 1 773 . 1 1 67 67 GLY C C 13 173.499 0.300 . 1 . . . . 67 GLY C . 11321 1 774 . 1 1 67 67 GLY CA C 13 45.633 0.300 . 1 . . . . 67 GLY CA . 11321 1 775 . 1 1 67 67 GLY N N 15 114.270 0.300 . 1 . . . . 67 GLY N . 11321 1 776 . 1 1 68 68 ARG H H 1 8.117 0.030 . 1 . . . . 68 ARG H . 11321 1 777 . 1 1 68 68 ARG HA H 1 4.946 0.030 . 1 . . . . 68 ARG HA . 11321 1 778 . 1 1 68 68 ARG HB2 H 1 1.832 0.030 . 2 . . . . 68 ARG HB2 . 11321 1 779 . 1 1 68 68 ARG HB3 H 1 1.567 0.030 . 2 . . . . 68 ARG HB3 . 11321 1 780 . 1 1 68 68 ARG HD2 H 1 2.828 0.030 . 2 . . . . 68 ARG HD2 . 11321 1 781 . 1 1 68 68 ARG HD3 H 1 3.092 0.030 . 2 . . . . 68 ARG HD3 . 11321 1 782 . 1 1 68 68 ARG HG2 H 1 1.608 0.030 . 2 . . . . 68 ARG HG2 . 11321 1 783 . 1 1 68 68 ARG HG3 H 1 1.525 0.030 . 2 . . . . 68 ARG HG3 . 11321 1 784 . 1 1 68 68 ARG C C 13 176.468 0.300 . 1 . . . . 68 ARG C . 11321 1 785 . 1 1 68 68 ARG CA C 13 54.452 0.300 . 1 . . . . 68 ARG CA . 11321 1 786 . 1 1 68 68 ARG CB C 13 34.473 0.300 . 1 . . . . 68 ARG CB . 11321 1 787 . 1 1 68 68 ARG CD C 13 43.473 0.300 . 1 . . . . 68 ARG CD . 11321 1 788 . 1 1 68 68 ARG CG C 13 28.273 0.300 . 1 . . . . 68 ARG CG . 11321 1 789 . 1 1 68 68 ARG N N 15 118.775 0.300 . 1 . . . . 68 ARG N . 11321 1 790 . 1 1 69 69 SER H H 1 9.190 0.030 . 1 . . . . 69 SER H . 11321 1 791 . 1 1 69 69 SER HA H 1 4.748 0.030 . 1 . . . . 69 SER HA . 11321 1 792 . 1 1 69 69 SER HB2 H 1 4.198 0.030 . 2 . . . . 69 SER HB2 . 11321 1 793 . 1 1 69 69 SER HB3 H 1 4.515 0.030 . 2 . . . . 69 SER HB3 . 11321 1 794 . 1 1 69 69 SER C C 13 174.856 0.300 . 1 . . . . 69 SER C . 11321 1 795 . 1 1 69 69 SER CA C 13 57.313 0.300 . 1 . . . . 69 SER CA . 11321 1 796 . 1 1 69 69 SER CB C 13 64.813 0.300 . 1 . . . . 69 SER CB . 11321 1 797 . 1 1 69 69 SER N N 15 118.359 0.300 . 1 . . . . 69 SER N . 11321 1 798 . 1 1 70 70 CYS H H 1 8.649 0.030 . 1 . . . . 70 CYS H . 11321 1 799 . 1 1 70 70 CYS HA H 1 3.942 0.030 . 1 . . . . 70 CYS HA . 11321 1 800 . 1 1 70 70 CYS HB2 H 1 2.966 0.030 . 2 . . . . 70 CYS HB2 . 11321 1 801 . 1 1 70 70 CYS HB3 H 1 2.786 0.030 . 2 . . . . 70 CYS HB3 . 11321 1 802 . 1 1 70 70 CYS C C 13 178.830 0.300 . 1 . . . . 70 CYS C . 11321 1 803 . 1 1 70 70 CYS CA C 13 64.015 0.300 . 1 . . . . 70 CYS CA . 11321 1 804 . 1 1 70 70 CYS CB C 13 29.991 0.300 . 1 . . . . 70 CYS CB . 11321 1 805 . 1 1 70 70 CYS N N 15 123.335 0.300 . 1 . . . . 70 CYS N . 11321 1 806 . 1 1 71 71 GLU H H 1 9.117 0.030 . 1 . . . . 71 GLU H . 11321 1 807 . 1 1 71 71 GLU HA H 1 4.027 0.030 . 1 . . . . 71 GLU HA . 11321 1 808 . 1 1 71 71 GLU HB2 H 1 2.063 0.030 . 2 . . . . 71 GLU HB2 . 11321 1 809 . 1 1 71 71 GLU HB3 H 1 1.921 0.030 . 2 . . . . 71 GLU HB3 . 11321 1 810 . 1 1 71 71 GLU HG2 H 1 2.267 0.030 . 2 . . . . 71 GLU HG2 . 11321 1 811 . 1 1 71 71 GLU HG3 H 1 2.405 0.030 . 2 . . . . 71 GLU HG3 . 11321 1 812 . 1 1 71 71 GLU C C 13 178.588 0.300 . 1 . . . . 71 GLU C . 11321 1 813 . 1 1 71 71 GLU CA C 13 60.098 0.300 . 1 . . . . 71 GLU CA . 11321 1 814 . 1 1 71 71 GLU CB C 13 29.003 0.300 . 1 . . . . 71 GLU CB . 11321 1 815 . 1 1 71 71 GLU CG C 13 36.721 0.300 . 1 . . . . 71 GLU CG . 11321 1 816 . 1 1 71 71 GLU N N 15 120.321 0.300 . 1 . . . . 71 GLU N . 11321 1 817 . 1 1 72 72 ASP H H 1 8.043 0.030 . 1 . . . . 72 ASP H . 11321 1 818 . 1 1 72 72 ASP HA H 1 4.512 0.030 . 1 . . . . 72 ASP HA . 11321 1 819 . 1 1 72 72 ASP HB2 H 1 2.872 0.030 . 2 . . . . 72 ASP HB2 . 11321 1 820 . 1 1 72 72 ASP HB3 H 1 2.723 0.030 . 2 . . . . 72 ASP HB3 . 11321 1 821 . 1 1 72 72 ASP C C 13 179.654 0.300 . 1 . . . . 72 ASP C . 11321 1 822 . 1 1 72 72 ASP CA C 13 57.195 0.300 . 1 . . . . 72 ASP CA . 11321 1 823 . 1 1 72 72 ASP CB C 13 40.236 0.300 . 1 . . . . 72 ASP CB . 11321 1 824 . 1 1 72 72 ASP N N 15 121.721 0.300 . 1 . . . . 72 ASP N . 11321 1 825 . 1 1 73 73 PHE H H 1 8.893 0.030 . 1 . . . . 73 PHE H . 11321 1 826 . 1 1 73 73 PHE HA H 1 4.124 0.030 . 1 . . . . 73 PHE HA . 11321 1 827 . 1 1 73 73 PHE HB2 H 1 2.487 0.030 . 2 . . . . 73 PHE HB2 . 11321 1 828 . 1 1 73 73 PHE HB3 H 1 2.285 0.030 . 2 . . . . 73 PHE HB3 . 11321 1 829 . 1 1 73 73 PHE HD1 H 1 6.800 0.030 . 1 . . . . 73 PHE HD1 . 11321 1 830 . 1 1 73 73 PHE HD2 H 1 6.800 0.030 . 1 . . . . 73 PHE HD2 . 11321 1 831 . 1 1 73 73 PHE HE1 H 1 7.048 0.030 . 1 . . . . 73 PHE HE1 . 11321 1 832 . 1 1 73 73 PHE HE2 H 1 7.048 0.030 . 1 . . . . 73 PHE HE2 . 11321 1 833 . 1 1 73 73 PHE HZ H 1 7.351 0.030 . 1 . . . . 73 PHE HZ . 11321 1 834 . 1 1 73 73 PHE C C 13 175.850 0.300 . 1 . . . . 73 PHE C . 11321 1 835 . 1 1 73 73 PHE CA C 13 61.058 0.300 . 1 . . . . 73 PHE CA . 11321 1 836 . 1 1 73 73 PHE CB C 13 38.121 0.300 . 1 . . . . 73 PHE CB . 11321 1 837 . 1 1 73 73 PHE CD1 C 13 131.742 0.300 . 1 . . . . 73 PHE CD1 . 11321 1 838 . 1 1 73 73 PHE CD2 C 13 131.742 0.300 . 1 . . . . 73 PHE CD2 . 11321 1 839 . 1 1 73 73 PHE CE1 C 13 130.825 0.300 . 1 . . . . 73 PHE CE1 . 11321 1 840 . 1 1 73 73 PHE CE2 C 13 130.825 0.300 . 1 . . . . 73 PHE CE2 . 11321 1 841 . 1 1 73 73 PHE CZ C 13 129.961 0.300 . 1 . . . . 73 PHE CZ . 11321 1 842 . 1 1 73 73 PHE N N 15 121.720 0.300 . 1 . . . . 73 PHE N . 11321 1 843 . 1 1 74 74 GLN H H 1 8.138 0.030 . 1 . . . . 74 GLN H . 11321 1 844 . 1 1 74 74 GLN HA H 1 3.606 0.030 . 1 . . . . 74 GLN HA . 11321 1 845 . 1 1 74 74 GLN HB2 H 1 2.119 0.030 . 1 . . . . 74 GLN HB2 . 11321 1 846 . 1 1 74 74 GLN HB3 H 1 2.119 0.030 . 1 . . . . 74 GLN HB3 . 11321 1 847 . 1 1 74 74 GLN HE21 H 1 6.970 0.030 . 2 . . . . 74 GLN HE21 . 11321 1 848 . 1 1 74 74 GLN HE22 H 1 7.417 0.030 . 2 . . . . 74 GLN HE22 . 11321 1 849 . 1 1 74 74 GLN HG2 H 1 2.359 0.030 . 1 . . . . 74 GLN HG2 . 11321 1 850 . 1 1 74 74 GLN HG3 H 1 2.359 0.030 . 1 . . . . 74 GLN HG3 . 11321 1 851 . 1 1 74 74 GLN C C 13 178.430 0.300 . 1 . . . . 74 GLN C . 11321 1 852 . 1 1 74 74 GLN CA C 13 58.879 0.300 . 1 . . . . 74 GLN CA . 11321 1 853 . 1 1 74 74 GLN CB C 13 27.765 0.300 . 1 . . . . 74 GLN CB . 11321 1 854 . 1 1 74 74 GLN CG C 13 33.568 0.300 . 1 . . . . 74 GLN CG . 11321 1 855 . 1 1 74 74 GLN N N 15 119.041 0.300 . 1 . . . . 74 GLN N . 11321 1 856 . 1 1 74 74 GLN NE2 N 15 111.457 0.300 . 1 . . . . 74 GLN NE2 . 11321 1 857 . 1 1 75 75 ASN H H 1 7.913 0.030 . 1 . . . . 75 ASN H . 11321 1 858 . 1 1 75 75 ASN HA H 1 4.370 0.030 . 1 . . . . 75 ASN HA . 11321 1 859 . 1 1 75 75 ASN HB2 H 1 2.852 0.030 . 2 . . . . 75 ASN HB2 . 11321 1 860 . 1 1 75 75 ASN HB3 H 1 2.878 0.030 . 2 . . . . 75 ASN HB3 . 11321 1 861 . 1 1 75 75 ASN HD21 H 1 7.025 0.030 . 2 . . . . 75 ASN HD21 . 11321 1 862 . 1 1 75 75 ASN HD22 H 1 7.824 0.030 . 2 . . . . 75 ASN HD22 . 11321 1 863 . 1 1 75 75 ASN C C 13 176.807 0.300 . 1 . . . . 75 ASN C . 11321 1 864 . 1 1 75 75 ASN CA C 13 56.315 0.300 . 1 . . . . 75 ASN CA . 11321 1 865 . 1 1 75 75 ASN CB C 13 38.296 0.300 . 1 . . . . 75 ASN CB . 11321 1 866 . 1 1 75 75 ASN N N 15 118.206 0.300 . 1 . . . . 75 ASN N . 11321 1 867 . 1 1 75 75 ASN ND2 N 15 113.939 0.300 . 1 . . . . 75 ASN ND2 . 11321 1 868 . 1 1 76 76 TRP H H 1 8.280 0.030 . 1 . . . . 76 TRP H . 11321 1 869 . 1 1 76 76 TRP HA H 1 3.918 0.030 . 1 . . . . 76 TRP HA . 11321 1 870 . 1 1 76 76 TRP HB2 H 1 3.178 0.030 . 2 . . . . 76 TRP HB2 . 11321 1 871 . 1 1 76 76 TRP HB3 H 1 3.370 0.030 . 2 . . . . 76 TRP HB3 . 11321 1 872 . 1 1 76 76 TRP HD1 H 1 7.136 0.030 . 1 . . . . 76 TRP HD1 . 11321 1 873 . 1 1 76 76 TRP HE1 H 1 10.057 0.030 . 1 . . . . 76 TRP HE1 . 11321 1 874 . 1 1 76 76 TRP HE3 H 1 6.969 0.030 . 1 . . . . 76 TRP HE3 . 11321 1 875 . 1 1 76 76 TRP HH2 H 1 7.109 0.030 . 1 . . . . 76 TRP HH2 . 11321 1 876 . 1 1 76 76 TRP HZ2 H 1 7.339 0.030 . 1 . . . . 76 TRP HZ2 . 11321 1 877 . 1 1 76 76 TRP HZ3 H 1 6.935 0.030 . 1 . . . . 76 TRP HZ3 . 11321 1 878 . 1 1 76 76 TRP C C 13 178.793 0.300 . 1 . . . . 76 TRP C . 11321 1 879 . 1 1 76 76 TRP CA C 13 62.231 0.300 . 1 . . . . 76 TRP CA . 11321 1 880 . 1 1 76 76 TRP CB C 13 28.128 0.300 . 1 . . . . 76 TRP CB . 11321 1 881 . 1 1 76 76 TRP CD1 C 13 126.812 0.300 . 1 . . . . 76 TRP CD1 . 11321 1 882 . 1 1 76 76 TRP CE3 C 13 119.897 0.300 . 1 . . . . 76 TRP CE3 . 11321 1 883 . 1 1 76 76 TRP CH2 C 13 124.555 0.300 . 1 . . . . 76 TRP CH2 . 11321 1 884 . 1 1 76 76 TRP CZ2 C 13 114.386 0.300 . 1 . . . . 76 TRP CZ2 . 11321 1 885 . 1 1 76 76 TRP CZ3 C 13 121.731 0.300 . 1 . . . . 76 TRP CZ3 . 11321 1 886 . 1 1 76 76 TRP N N 15 122.611 0.300 . 1 . . . . 76 TRP N . 11321 1 887 . 1 1 76 76 TRP NE1 N 15 129.906 0.300 . 1 . . . . 76 TRP NE1 . 11321 1 888 . 1 1 77 77 LYS H H 1 8.447 0.030 . 1 . . . . 77 LYS H . 11321 1 889 . 1 1 77 77 LYS HA H 1 3.268 0.030 . 1 . . . . 77 LYS HA . 11321 1 890 . 1 1 77 77 LYS HB2 H 1 1.372 0.030 . 2 . . . . 77 LYS HB2 . 11321 1 891 . 1 1 77 77 LYS HB3 H 1 1.513 0.030 . 2 . . . . 77 LYS HB3 . 11321 1 892 . 1 1 77 77 LYS HD2 H 1 1.523 0.030 . 1 . . . . 77 LYS HD2 . 11321 1 893 . 1 1 77 77 LYS HD3 H 1 1.523 0.030 . 1 . . . . 77 LYS HD3 . 11321 1 894 . 1 1 77 77 LYS HE2 H 1 2.841 0.030 . 2 . . . . 77 LYS HE2 . 11321 1 895 . 1 1 77 77 LYS HE3 H 1 2.888 0.030 . 2 . . . . 77 LYS HE3 . 11321 1 896 . 1 1 77 77 LYS HG2 H 1 1.053 0.030 . 2 . . . . 77 LYS HG2 . 11321 1 897 . 1 1 77 77 LYS HG3 H 1 0.954 0.030 . 2 . . . . 77 LYS HG3 . 11321 1 898 . 1 1 77 77 LYS C C 13 179.024 0.300 . 1 . . . . 77 LYS C . 11321 1 899 . 1 1 77 77 LYS CA C 13 57.747 0.300 . 1 . . . . 77 LYS CA . 11321 1 900 . 1 1 77 77 LYS CB C 13 30.794 0.300 . 1 . . . . 77 LYS CB . 11321 1 901 . 1 1 77 77 LYS CD C 13 27.812 0.300 . 1 . . . . 77 LYS CD . 11321 1 902 . 1 1 77 77 LYS CE C 13 41.626 0.300 . 1 . . . . 77 LYS CE . 11321 1 903 . 1 1 77 77 LYS CG C 13 23.850 0.300 . 1 . . . . 77 LYS CG . 11321 1 904 . 1 1 77 77 LYS N N 15 119.914 0.300 . 1 . . . . 77 LYS N . 11321 1 905 . 1 1 78 78 ARG H H 1 7.731 0.030 . 1 . . . . 78 ARG H . 11321 1 906 . 1 1 78 78 ARG HA H 1 3.905 0.030 . 1 . . . . 78 ARG HA . 11321 1 907 . 1 1 78 78 ARG HB2 H 1 1.835 0.030 . 1 . . . . 78 ARG HB2 . 11321 1 908 . 1 1 78 78 ARG HB3 H 1 1.835 0.030 . 1 . . . . 78 ARG HB3 . 11321 1 909 . 1 1 78 78 ARG HD2 H 1 3.164 0.030 . 1 . . . . 78 ARG HD2 . 11321 1 910 . 1 1 78 78 ARG HD3 H 1 3.164 0.030 . 1 . . . . 78 ARG HD3 . 11321 1 911 . 1 1 78 78 ARG HG2 H 1 1.541 0.030 . 2 . . . . 78 ARG HG2 . 11321 1 912 . 1 1 78 78 ARG HG3 H 1 1.657 0.030 . 2 . . . . 78 ARG HG3 . 11321 1 913 . 1 1 78 78 ARG C C 13 178.333 0.300 . 1 . . . . 78 ARG C . 11321 1 914 . 1 1 78 78 ARG CA C 13 58.696 0.300 . 1 . . . . 78 ARG CA . 11321 1 915 . 1 1 78 78 ARG CB C 13 30.114 0.300 . 1 . . . . 78 ARG CB . 11321 1 916 . 1 1 78 78 ARG CD C 13 43.352 0.300 . 1 . . . . 78 ARG CD . 11321 1 917 . 1 1 78 78 ARG CG C 13 27.488 0.300 . 1 . . . . 78 ARG CG . 11321 1 918 . 1 1 78 78 ARG N N 15 118.710 0.300 . 1 . . . . 78 ARG N . 11321 1 919 . 1 1 79 79 MET H H 1 7.469 0.030 . 1 . . . . 79 MET H . 11321 1 920 . 1 1 79 79 MET HA H 1 4.218 0.030 . 1 . . . . 79 MET HA . 11321 1 921 . 1 1 79 79 MET HB2 H 1 1.838 0.030 . 2 . . . . 79 MET HB2 . 11321 1 922 . 1 1 79 79 MET HB3 H 1 1.949 0.030 . 2 . . . . 79 MET HB3 . 11321 1 923 . 1 1 79 79 MET HE1 H 1 1.993 0.030 . 1 . . . . 79 MET HE . 11321 1 924 . 1 1 79 79 MET HE2 H 1 1.993 0.030 . 1 . . . . 79 MET HE . 11321 1 925 . 1 1 79 79 MET HE3 H 1 1.993 0.030 . 1 . . . . 79 MET HE . 11321 1 926 . 1 1 79 79 MET HG2 H 1 2.428 0.030 . 2 . . . . 79 MET HG2 . 11321 1 927 . 1 1 79 79 MET HG3 H 1 2.563 0.030 . 2 . . . . 79 MET HG3 . 11321 1 928 . 1 1 79 79 MET C C 13 176.649 0.300 . 1 . . . . 79 MET C . 11321 1 929 . 1 1 79 79 MET CA C 13 56.479 0.300 . 1 . . . . 79 MET CA . 11321 1 930 . 1 1 79 79 MET CB C 13 32.622 0.300 . 1 . . . . 79 MET CB . 11321 1 931 . 1 1 79 79 MET CE C 13 16.528 0.300 . 1 . . . . 79 MET CE . 11321 1 932 . 1 1 79 79 MET CG C 13 31.925 0.300 . 1 . . . . 79 MET CG . 11321 1 933 . 1 1 79 79 MET N N 15 116.319 0.300 . 1 . . . . 79 MET N . 11321 1 934 . 1 1 80 80 ASN H H 1 7.427 0.030 . 1 . . . . 80 ASN H . 11321 1 935 . 1 1 80 80 ASN HA H 1 4.506 0.030 . 1 . . . . 80 ASN HA . 11321 1 936 . 1 1 80 80 ASN HB2 H 1 2.132 0.030 . 2 . . . . 80 ASN HB2 . 11321 1 937 . 1 1 80 80 ASN HB3 H 1 1.398 0.030 . 2 . . . . 80 ASN HB3 . 11321 1 938 . 1 1 80 80 ASN HD21 H 1 6.418 0.030 . 2 . . . . 80 ASN HD21 . 11321 1 939 . 1 1 80 80 ASN HD22 H 1 6.593 0.030 . 2 . . . . 80 ASN HD22 . 11321 1 940 . 1 1 80 80 ASN C C 13 174.408 0.300 . 1 . . . . 80 ASN C . 11321 1 941 . 1 1 80 80 ASN CA C 13 53.597 0.300 . 1 . . . . 80 ASN CA . 11321 1 942 . 1 1 80 80 ASN CB C 13 39.159 0.300 . 1 . . . . 80 ASN CB . 11321 1 943 . 1 1 80 80 ASN N N 15 117.649 0.300 . 1 . . . . 80 ASN N . 11321 1 944 . 1 1 80 80 ASN ND2 N 15 115.173 0.300 . 1 . . . . 80 ASN ND2 . 11321 1 945 . 1 1 81 81 SER H H 1 7.724 0.030 . 1 . . . . 81 SER H . 11321 1 946 . 1 1 81 81 SER HA H 1 4.407 0.030 . 1 . . . . 81 SER HA . 11321 1 947 . 1 1 81 81 SER HB2 H 1 3.800 0.030 . 1 . . . . 81 SER HB2 . 11321 1 948 . 1 1 81 81 SER HB3 H 1 3.800 0.030 . 1 . . . . 81 SER HB3 . 11321 1 949 . 1 1 81 81 SER C C 13 174.372 0.300 . 1 . . . . 81 SER C . 11321 1 950 . 1 1 81 81 SER CA C 13 58.657 0.300 . 1 . . . . 81 SER CA . 11321 1 951 . 1 1 81 81 SER CB C 13 64.155 0.300 . 1 . . . . 81 SER CB . 11321 1 952 . 1 1 81 81 SER N N 15 114.803 0.300 . 1 . . . . 81 SER N . 11321 1 953 . 1 1 82 82 GLY H H 1 8.129 0.030 . 1 . . . . 82 GLY H . 11321 1 954 . 1 1 82 82 GLY HA2 H 1 4.069 0.030 . 1 . . . . 82 GLY HA2 . 11321 1 955 . 1 1 82 82 GLY HA3 H 1 4.069 0.030 . 1 . . . . 82 GLY HA3 . 11321 1 956 . 1 1 82 82 GLY C C 13 171.913 0.300 . 1 . . . . 82 GLY C . 11321 1 957 . 1 1 82 82 GLY CA C 13 44.636 0.300 . 1 . . . . 82 GLY CA . 11321 1 958 . 1 1 82 82 GLY N N 15 110.539 0.300 . 1 . . . . 82 GLY N . 11321 1 959 . 1 1 83 83 PRO HA H 1 4.450 0.030 . 1 . . . . 83 PRO HA . 11321 1 960 . 1 1 83 83 PRO HB2 H 1 2.268 0.030 . 2 . . . . 83 PRO HB2 . 11321 1 961 . 1 1 83 83 PRO HB3 H 1 1.958 0.030 . 2 . . . . 83 PRO HB3 . 11321 1 962 . 1 1 83 83 PRO HD2 H 1 3.621 0.030 . 1 . . . . 83 PRO HD2 . 11321 1 963 . 1 1 83 83 PRO HD3 H 1 3.621 0.030 . 1 . . . . 83 PRO HD3 . 11321 1 964 . 1 1 83 83 PRO HG2 H 1 2.001 0.030 . 1 . . . . 83 PRO HG2 . 11321 1 965 . 1 1 83 83 PRO HG3 H 1 2.001 0.030 . 1 . . . . 83 PRO HG3 . 11321 1 966 . 1 1 83 83 PRO C C 13 177.437 0.300 . 1 . . . . 83 PRO C . 11321 1 967 . 1 1 83 83 PRO CA C 13 63.349 0.300 . 1 . . . . 83 PRO CA . 11321 1 968 . 1 1 83 83 PRO CB C 13 32.170 0.300 . 1 . . . . 83 PRO CB . 11321 1 969 . 1 1 83 83 PRO CD C 13 49.930 0.300 . 1 . . . . 83 PRO CD . 11321 1 970 . 1 1 83 83 PRO CG C 13 26.990 0.300 . 1 . . . . 83 PRO CG . 11321 1 971 . 1 1 84 84 SER H H 1 8.492 0.030 . 1 . . . . 84 SER H . 11321 1 972 . 1 1 84 84 SER C C 13 174.626 0.300 . 1 . . . . 84 SER C . 11321 1 973 . 1 1 84 84 SER CA C 13 58.432 0.300 . 1 . . . . 84 SER CA . 11321 1 974 . 1 1 84 84 SER CB C 13 63.990 0.300 . 1 . . . . 84 SER CB . 11321 1 975 . 1 1 84 84 SER N N 15 116.390 0.300 . 1 . . . . 84 SER N . 11321 1 stop_ save_