data_11324 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11324 _Entry.Title ; Solution structure of the thap domain of the human thap domain-containing protein 2 ; _Entry.Type macromolecule _Entry.Version_type new _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 . . . 11324 2 T. Kigawa . . . 11324 3 T. Tomizawa . . . 11324 4 S. Koshiba . . . 11324 5 M. Inoue . . . 11324 6 S. Yokoyama . . . 11324 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)' . 11324 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11324 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 415 11324 '15N chemical shifts' 81 11324 '1H chemical shifts' 625 11324 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 . 11324 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11324 _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 thap domain of the human thap domain-containing protein 2 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 K. Miyamoto . . . 11324 1 2 T. Kigawa . . . 11324 1 3 T. Tomizawa . . . 11324 1 4 S. Koshiba . . . 11324 1 5 M. Inoue . . . 11324 1 6 S. Yokoyama . . . 11324 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11324 _Assembly.ID 1 _Assembly.Name 'THAP domain-containing protein 2' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 THAP 1 $entity_1 A . yes native no no . . . 11324 1 2 'ZINC ION' 2 $entity_ZN B . no native no no . . . 11324 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 THAP 1 CYS 12 12 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 12 CYS SG . . . B ZN 11324 1 2 coordination single . 1 THAP 1 CYS 17 17 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 17 CYS SG . . . B ZN 11324 1 3 coordination single . 1 THAP 1 CYS 60 60 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 60 CYS SG . . . B ZN 11324 1 4 coordination single . 1 THAP 1 HIS 63 63 NE2 . 2 'ZINC ION' 2 ZN 1 1 ZN . . 63 HIS NE2 . . . B ZN 11324 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 1 CYS 12 12 HG . 12 CYS HG 11324 1 2 . 1 1 CYS 17 17 HG . 17 CYS HG 11324 1 3 . 1 1 CYS 60 60 HG . 60 CYS HG 11324 1 4 . 1 1 HIS 63 63 HE2 . 63 HIS HE2 11324 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 2d8r . . . . . . 11324 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11324 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name THAP _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 ; GSSGSSGMPTNCAAAGCATT YNKHINISFHRFPLDPKRRK EWVRLVRRKNFVPGKHTFLC SKHFEASCFDLTGQTRRLKM DAVPTIFDFCTHISGPSSG ; _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and 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 2D8R . "Solution Structure Of The Thap Domain Of The Human Thap Domain-Containing Protein 2" . . . . . 100.00 99 100.00 100.00 2.01e-66 . . . . 11324 1 2 no DBJ BAG36240 . "unnamed protein product [Homo sapiens]" . . . . . 88.89 228 97.73 97.73 3.29e-58 . . . . 11324 1 3 no DBJ BAI46412 . "THAP domain containing, apoptosis associated protein 2 [synthetic construct]" . . . . . 88.89 228 97.73 97.73 3.29e-58 . . . . 11324 1 4 no EMBL CAB66542 . "hypothetical protein [Homo sapiens]" . . . . . 88.89 228 97.73 97.73 3.29e-58 . . . . 11324 1 5 no EMBL CAG38516 . "DKFZP564I0422 [Homo sapiens]" . . . . . 88.89 228 97.73 97.73 2.30e-58 . . . . 11324 1 6 no EMBL CAH91411 . "hypothetical protein [Pongo abelii]" . . . . . 88.89 228 97.73 97.73 3.59e-58 . . . . 11324 1 7 no EMBL CAL37961 . "hypothetical protein [synthetic construct]" . . . . . 88.89 228 97.73 97.73 3.29e-58 . . . . 11324 1 8 no GB AAH08358 . "THAP domain containing, apoptosis associated protein 2 [Homo sapiens]" . . . . . 88.89 228 97.73 97.73 3.29e-58 . . . . 11324 1 9 no GB AIC52465 . "THAP2, partial [synthetic construct]" . . . . . 88.89 228 97.73 97.73 3.29e-58 . . . . 11324 1 10 no GB EAW97265 . "THAP domain containing, apoptosis associated protein 2 [Homo sapiens]" . . . . . 88.89 228 97.73 97.73 3.29e-58 . . . . 11324 1 11 no GB EHH20970 . "THAP domain-containing protein 2 [Macaca mulatta]" . . . . . 88.89 230 97.73 97.73 5.32e-58 . . . . 11324 1 12 no GB EHH66496 . "THAP domain-containing protein 2 [Macaca fascicularis]" . . . . . 88.89 230 97.73 97.73 4.10e-58 . . . . 11324 1 13 no REF NP_001153224 . "THAP domain-containing protein 2 [Pongo abelii]" . . . . . 88.89 228 97.73 97.73 3.59e-58 . . . . 11324 1 14 no REF NP_001180430 . "THAP domain-containing protein 2 [Macaca mulatta]" . . . . . 88.89 230 97.73 97.73 4.10e-58 . . . . 11324 1 15 no REF NP_113623 . "THAP domain-containing protein 2 [Homo sapiens]" . . . . . 88.89 228 97.73 97.73 3.29e-58 . . . . 11324 1 16 no REF XP_002752807 . "PREDICTED: THAP domain-containing protein 2 [Callithrix jacchus]" . . . . . 88.89 228 97.73 97.73 5.71e-58 . . . . 11324 1 17 no REF XP_003126431 . "PREDICTED: THAP domain-containing protein 2 [Sus scrofa]" . . . . . 88.89 209 97.73 97.73 5.60e-58 . . . . 11324 1 18 no SP Q9H0W7 . "RecName: Full=THAP domain-containing protein 2" . . . . . 88.89 228 97.73 97.73 3.29e-58 . . . . 11324 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID THAP . 11324 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 . 11324 1 2 . SER . 11324 1 3 . SER . 11324 1 4 . GLY . 11324 1 5 . SER . 11324 1 6 . SER . 11324 1 7 . GLY . 11324 1 8 . MET . 11324 1 9 . PRO . 11324 1 10 . THR . 11324 1 11 . ASN . 11324 1 12 . CYS . 11324 1 13 . ALA . 11324 1 14 . ALA . 11324 1 15 . ALA . 11324 1 16 . GLY . 11324 1 17 . CYS . 11324 1 18 . ALA . 11324 1 19 . THR . 11324 1 20 . THR . 11324 1 21 . TYR . 11324 1 22 . ASN . 11324 1 23 . LYS . 11324 1 24 . HIS . 11324 1 25 . ILE . 11324 1 26 . ASN . 11324 1 27 . ILE . 11324 1 28 . SER . 11324 1 29 . PHE . 11324 1 30 . HIS . 11324 1 31 . ARG . 11324 1 32 . PHE . 11324 1 33 . PRO . 11324 1 34 . LEU . 11324 1 35 . ASP . 11324 1 36 . PRO . 11324 1 37 . LYS . 11324 1 38 . ARG . 11324 1 39 . ARG . 11324 1 40 . LYS . 11324 1 41 . GLU . 11324 1 42 . TRP . 11324 1 43 . VAL . 11324 1 44 . ARG . 11324 1 45 . LEU . 11324 1 46 . VAL . 11324 1 47 . ARG . 11324 1 48 . ARG . 11324 1 49 . LYS . 11324 1 50 . ASN . 11324 1 51 . PHE . 11324 1 52 . VAL . 11324 1 53 . PRO . 11324 1 54 . GLY . 11324 1 55 . LYS . 11324 1 56 . HIS . 11324 1 57 . THR . 11324 1 58 . PHE . 11324 1 59 . LEU . 11324 1 60 . CYS . 11324 1 61 . SER . 11324 1 62 . LYS . 11324 1 63 . HIS . 11324 1 64 . PHE . 11324 1 65 . GLU . 11324 1 66 . ALA . 11324 1 67 . SER . 11324 1 68 . CYS . 11324 1 69 . PHE . 11324 1 70 . ASP . 11324 1 71 . LEU . 11324 1 72 . THR . 11324 1 73 . GLY . 11324 1 74 . GLN . 11324 1 75 . THR . 11324 1 76 . ARG . 11324 1 77 . ARG . 11324 1 78 . LEU . 11324 1 79 . LYS . 11324 1 80 . MET . 11324 1 81 . ASP . 11324 1 82 . ALA . 11324 1 83 . VAL . 11324 1 84 . PRO . 11324 1 85 . THR . 11324 1 86 . ILE . 11324 1 87 . PHE . 11324 1 88 . ASP . 11324 1 89 . PHE . 11324 1 90 . CYS . 11324 1 91 . THR . 11324 1 92 . HIS . 11324 1 93 . ILE . 11324 1 94 . SER . 11324 1 95 . GLY . 11324 1 96 . PRO . 11324 1 97 . SER . 11324 1 98 . SER . 11324 1 99 . GLY . 11324 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 11324 1 . SER 2 2 11324 1 . SER 3 3 11324 1 . GLY 4 4 11324 1 . SER 5 5 11324 1 . SER 6 6 11324 1 . GLY 7 7 11324 1 . MET 8 8 11324 1 . PRO 9 9 11324 1 . THR 10 10 11324 1 . ASN 11 11 11324 1 . CYS 12 12 11324 1 . ALA 13 13 11324 1 . ALA 14 14 11324 1 . ALA 15 15 11324 1 . GLY 16 16 11324 1 . CYS 17 17 11324 1 . ALA 18 18 11324 1 . THR 19 19 11324 1 . THR 20 20 11324 1 . TYR 21 21 11324 1 . ASN 22 22 11324 1 . LYS 23 23 11324 1 . HIS 24 24 11324 1 . ILE 25 25 11324 1 . ASN 26 26 11324 1 . ILE 27 27 11324 1 . SER 28 28 11324 1 . PHE 29 29 11324 1 . HIS 30 30 11324 1 . ARG 31 31 11324 1 . PHE 32 32 11324 1 . PRO 33 33 11324 1 . LEU 34 34 11324 1 . ASP 35 35 11324 1 . PRO 36 36 11324 1 . LYS 37 37 11324 1 . ARG 38 38 11324 1 . ARG 39 39 11324 1 . LYS 40 40 11324 1 . GLU 41 41 11324 1 . TRP 42 42 11324 1 . VAL 43 43 11324 1 . ARG 44 44 11324 1 . LEU 45 45 11324 1 . VAL 46 46 11324 1 . ARG 47 47 11324 1 . ARG 48 48 11324 1 . LYS 49 49 11324 1 . ASN 50 50 11324 1 . PHE 51 51 11324 1 . VAL 52 52 11324 1 . PRO 53 53 11324 1 . GLY 54 54 11324 1 . LYS 55 55 11324 1 . HIS 56 56 11324 1 . THR 57 57 11324 1 . PHE 58 58 11324 1 . LEU 59 59 11324 1 . CYS 60 60 11324 1 . SER 61 61 11324 1 . LYS 62 62 11324 1 . HIS 63 63 11324 1 . PHE 64 64 11324 1 . GLU 65 65 11324 1 . ALA 66 66 11324 1 . SER 67 67 11324 1 . CYS 68 68 11324 1 . PHE 69 69 11324 1 . ASP 70 70 11324 1 . LEU 71 71 11324 1 . THR 72 72 11324 1 . GLY 73 73 11324 1 . GLN 74 74 11324 1 . THR 75 75 11324 1 . ARG 76 76 11324 1 . ARG 77 77 11324 1 . LEU 78 78 11324 1 . LYS 79 79 11324 1 . MET 80 80 11324 1 . ASP 81 81 11324 1 . ALA 82 82 11324 1 . VAL 83 83 11324 1 . PRO 84 84 11324 1 . THR 85 85 11324 1 . ILE 86 86 11324 1 . PHE 87 87 11324 1 . ASP 88 88 11324 1 . PHE 89 89 11324 1 . CYS 90 90 11324 1 . THR 91 91 11324 1 . HIS 92 92 11324 1 . ILE 93 93 11324 1 . SER 94 94 11324 1 . GLY 95 95 11324 1 . PRO 96 96 11324 1 . SER 97 97 11324 1 . SER 98 98 11324 1 . GLY 99 99 11324 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 11324 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 11324 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 11324 2 ZN 'Three letter code' 11324 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 11324 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 11324 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 11324 _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 . . . . . . . . . . . . . . . . . . . . . 11324 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 11324 _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 . . P050302-85 . . . . . . 11324 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 11324 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 11324 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 11324 ZN [Zn++] SMILES CACTVS 3.341 11324 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11324 ZN [Zn+2] SMILES ACDLabs 10.04 11324 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11324 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11324 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 11324 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11324 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 11324 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11324 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.84mM THAP domain {U-13C,15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZNCl2;} 1.0mM {IDA;} 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 'THAP domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.84 . . mM . . . . 11324 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11324 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11324 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11324 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11324 1 6 ZnCl2 'natural abundance' . . . . . salt 0.05 . . mM . . . . 11324 1 7 IDA 'natural abundance' . . . . . salt 1.0 . . mM . . . . 11324 1 8 H2O . . . . . . solvent 90 . . % . . . . 11324 1 9 D2O . . . . . . solvent 10 . . % . . . . 11324 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 11324 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 11324 1 pH 7.0 0.05 pH 11324 1 pressure 1 0.001 atm 11324 1 temperature 296 0.1 K 11324 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11324 _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 . . 11324 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11324 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11324 _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.' . . 11324 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11324 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11324 _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.' . . 11324 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11324 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11324 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9321 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11324 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11324 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11324 _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.' . . 11324 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11324 5 'structure solution' 11324 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 11324 _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 11324 _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 . . . 11324 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 11324 _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 . . . . . . . . . . . . . . . . 11324 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11324 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 11324 _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 . . . . . . . . . 11324 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11324 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11324 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 11324 _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 11324 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11324 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 . . 11324 1 2 $NMRPipe . . 11324 1 3 $NMRView . . 11324 1 4 $Kujira . . 11324 1 5 $CYANA . . 11324 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 8 8 MET H H 1 8.034 0.030 . 1 . . . . 8 MET H . 11324 1 2 . 1 1 8 8 MET HA H 1 4.688 0.030 . 1 . . . . 8 MET HA . 11324 1 3 . 1 1 8 8 MET HB2 H 1 1.807 0.030 . 2 . . . . 8 MET HB2 . 11324 1 4 . 1 1 8 8 MET HB3 H 1 1.861 0.030 . 2 . . . . 8 MET HB3 . 11324 1 5 . 1 1 8 8 MET HE1 H 1 1.974 0.030 . 1 . . . . 8 MET HE . 11324 1 6 . 1 1 8 8 MET HE2 H 1 1.974 0.030 . 1 . . . . 8 MET HE . 11324 1 7 . 1 1 8 8 MET HE3 H 1 1.974 0.030 . 1 . . . . 8 MET HE . 11324 1 8 . 1 1 8 8 MET HG2 H 1 2.402 0.030 . 2 . . . . 8 MET HG2 . 11324 1 9 . 1 1 8 8 MET HG3 H 1 2.477 0.030 . 2 . . . . 8 MET HG3 . 11324 1 10 . 1 1 8 8 MET CA C 13 52.984 0.300 . 1 . . . . 8 MET CA . 11324 1 11 . 1 1 8 8 MET CB C 13 32.285 0.300 . 1 . . . . 8 MET CB . 11324 1 12 . 1 1 8 8 MET CE C 13 17.002 0.300 . 1 . . . . 8 MET CE . 11324 1 13 . 1 1 8 8 MET CG C 13 31.935 0.300 . 1 . . . . 8 MET CG . 11324 1 14 . 1 1 8 8 MET N N 15 120.622 0.300 . 1 . . . . 8 MET N . 11324 1 15 . 1 1 9 9 PRO HA H 1 4.270 0.030 . 1 . . . . 9 PRO HA . 11324 1 16 . 1 1 9 9 PRO HB2 H 1 1.428 0.030 . 2 . . . . 9 PRO HB2 . 11324 1 17 . 1 1 9 9 PRO HB3 H 1 1.775 0.030 . 2 . . . . 9 PRO HB3 . 11324 1 18 . 1 1 9 9 PRO HD2 H 1 3.591 0.030 . 2 . . . . 9 PRO HD2 . 11324 1 19 . 1 1 9 9 PRO HD3 H 1 3.341 0.030 . 2 . . . . 9 PRO HD3 . 11324 1 20 . 1 1 9 9 PRO HG2 H 1 1.588 0.030 . 2 . . . . 9 PRO HG2 . 11324 1 21 . 1 1 9 9 PRO HG3 H 1 1.634 0.030 . 2 . . . . 9 PRO HG3 . 11324 1 22 . 1 1 9 9 PRO C C 13 176.114 0.300 . 1 . . . . 9 PRO C . 11324 1 23 . 1 1 9 9 PRO CA C 13 62.852 0.300 . 1 . . . . 9 PRO CA . 11324 1 24 . 1 1 9 9 PRO CB C 13 31.886 0.300 . 1 . . . . 9 PRO CB . 11324 1 25 . 1 1 9 9 PRO CD C 13 50.557 0.300 . 1 . . . . 9 PRO CD . 11324 1 26 . 1 1 9 9 PRO CG C 13 27.099 0.300 . 1 . . . . 9 PRO CG . 11324 1 27 . 1 1 10 10 THR H H 1 8.259 0.030 . 1 . . . . 10 THR H . 11324 1 28 . 1 1 10 10 THR HA H 1 4.204 0.030 . 1 . . . . 10 THR HA . 11324 1 29 . 1 1 10 10 THR HB H 1 3.865 0.030 . 1 . . . . 10 THR HB . 11324 1 30 . 1 1 10 10 THR HG21 H 1 0.778 0.030 . 1 . . . . 10 THR HG2 . 11324 1 31 . 1 1 10 10 THR HG22 H 1 0.778 0.030 . 1 . . . . 10 THR HG2 . 11324 1 32 . 1 1 10 10 THR HG23 H 1 0.778 0.030 . 1 . . . . 10 THR HG2 . 11324 1 33 . 1 1 10 10 THR C C 13 173.108 0.300 . 1 . . . . 10 THR C . 11324 1 34 . 1 1 10 10 THR CA C 13 61.949 0.300 . 1 . . . . 10 THR CA . 11324 1 35 . 1 1 10 10 THR CB C 13 69.760 0.300 . 1 . . . . 10 THR CB . 11324 1 36 . 1 1 10 10 THR CG2 C 13 21.512 0.300 . 1 . . . . 10 THR CG2 . 11324 1 37 . 1 1 10 10 THR N N 15 113.967 0.300 . 1 . . . . 10 THR N . 11324 1 38 . 1 1 11 11 ASN H H 1 8.227 0.030 . 1 . . . . 11 ASN H . 11324 1 39 . 1 1 11 11 ASN HA H 1 5.153 0.030 . 1 . . . . 11 ASN HA . 11324 1 40 . 1 1 11 11 ASN HB2 H 1 2.766 0.030 . 2 . . . . 11 ASN HB2 . 11324 1 41 . 1 1 11 11 ASN HB3 H 1 2.919 0.030 . 2 . . . . 11 ASN HB3 . 11324 1 42 . 1 1 11 11 ASN HD21 H 1 7.590 0.030 . 2 . . . . 11 ASN HD21 . 11324 1 43 . 1 1 11 11 ASN HD22 H 1 6.924 0.030 . 2 . . . . 11 ASN HD22 . 11324 1 44 . 1 1 11 11 ASN C C 13 173.472 0.300 . 1 . . . . 11 ASN C . 11324 1 45 . 1 1 11 11 ASN CA C 13 52.098 0.300 . 1 . . . . 11 ASN CA . 11324 1 46 . 1 1 11 11 ASN CB C 13 41.204 0.300 . 1 . . . . 11 ASN CB . 11324 1 47 . 1 1 11 11 ASN N N 15 120.212 0.300 . 1 . . . . 11 ASN N . 11324 1 48 . 1 1 11 11 ASN ND2 N 15 113.261 0.300 . 1 . . . . 11 ASN ND2 . 11324 1 49 . 1 1 12 12 CYS H H 1 8.535 0.030 . 1 . . . . 12 CYS H . 11324 1 50 . 1 1 12 12 CYS HA H 1 4.272 0.030 . 1 . . . . 12 CYS HA . 11324 1 51 . 1 1 12 12 CYS HB2 H 1 3.038 0.030 . 2 . . . . 12 CYS HB2 . 11324 1 52 . 1 1 12 12 CYS HB3 H 1 3.192 0.030 . 2 . . . . 12 CYS HB3 . 11324 1 53 . 1 1 12 12 CYS C C 13 175.282 0.300 . 1 . . . . 12 CYS C . 11324 1 54 . 1 1 12 12 CYS CA C 13 60.390 0.300 . 1 . . . . 12 CYS CA . 11324 1 55 . 1 1 12 12 CYS CB C 13 30.803 0.300 . 1 . . . . 12 CYS CB . 11324 1 56 . 1 1 12 12 CYS N N 15 123.763 0.300 . 1 . . . . 12 CYS N . 11324 1 57 . 1 1 13 13 ALA H H 1 9.025 0.030 . 1 . . . . 13 ALA H . 11324 1 58 . 1 1 13 13 ALA HA H 1 4.361 0.030 . 1 . . . . 13 ALA HA . 11324 1 59 . 1 1 13 13 ALA HB1 H 1 1.649 0.030 . 1 . . . . 13 ALA HB . 11324 1 60 . 1 1 13 13 ALA HB2 H 1 1.649 0.030 . 1 . . . . 13 ALA HB . 11324 1 61 . 1 1 13 13 ALA HB3 H 1 1.649 0.030 . 1 . . . . 13 ALA HB . 11324 1 62 . 1 1 13 13 ALA C C 13 177.284 0.300 . 1 . . . . 13 ALA C . 11324 1 63 . 1 1 13 13 ALA CA C 13 53.337 0.300 . 1 . . . . 13 ALA CA . 11324 1 64 . 1 1 13 13 ALA CB C 13 20.220 0.300 . 1 . . . . 13 ALA CB . 11324 1 65 . 1 1 13 13 ALA N N 15 129.022 0.300 . 1 . . . . 13 ALA N . 11324 1 66 . 1 1 14 14 ALA H H 1 8.959 0.030 . 1 . . . . 14 ALA H . 11324 1 67 . 1 1 14 14 ALA HA H 1 3.989 0.030 . 1 . . . . 14 ALA HA . 11324 1 68 . 1 1 14 14 ALA HB1 H 1 1.192 0.030 . 1 . . . . 14 ALA HB . 11324 1 69 . 1 1 14 14 ALA HB2 H 1 1.192 0.030 . 1 . . . . 14 ALA HB . 11324 1 70 . 1 1 14 14 ALA HB3 H 1 1.192 0.030 . 1 . . . . 14 ALA HB . 11324 1 71 . 1 1 14 14 ALA C C 13 177.788 0.300 . 1 . . . . 14 ALA C . 11324 1 72 . 1 1 14 14 ALA CA C 13 53.164 0.300 . 1 . . . . 14 ALA CA . 11324 1 73 . 1 1 14 14 ALA CB C 13 18.595 0.300 . 1 . . . . 14 ALA CB . 11324 1 74 . 1 1 14 14 ALA N N 15 123.087 0.300 . 1 . . . . 14 ALA N . 11324 1 75 . 1 1 15 15 ALA H H 1 8.454 0.030 . 1 . . . . 15 ALA H . 11324 1 76 . 1 1 15 15 ALA HA H 1 4.090 0.030 . 1 . . . . 15 ALA HA . 11324 1 77 . 1 1 15 15 ALA HB1 H 1 1.318 0.030 . 1 . . . . 15 ALA HB . 11324 1 78 . 1 1 15 15 ALA HB2 H 1 1.318 0.030 . 1 . . . . 15 ALA HB . 11324 1 79 . 1 1 15 15 ALA HB3 H 1 1.318 0.030 . 1 . . . . 15 ALA HB . 11324 1 80 . 1 1 15 15 ALA C C 13 179.070 0.300 . 1 . . . . 15 ALA C . 11324 1 81 . 1 1 15 15 ALA CA C 13 53.611 0.300 . 1 . . . . 15 ALA CA . 11324 1 82 . 1 1 15 15 ALA CB C 13 18.253 0.300 . 1 . . . . 15 ALA CB . 11324 1 83 . 1 1 15 15 ALA N N 15 126.634 0.300 . 1 . . . . 15 ALA N . 11324 1 84 . 1 1 16 16 GLY H H 1 8.852 0.030 . 1 . . . . 16 GLY H . 11324 1 85 . 1 1 16 16 GLY HA2 H 1 3.728 0.030 . 2 . . . . 16 GLY HA2 . 11324 1 86 . 1 1 16 16 GLY HA3 H 1 4.120 0.030 . 2 . . . . 16 GLY HA3 . 11324 1 87 . 1 1 16 16 GLY C C 13 173.349 0.300 . 1 . . . . 16 GLY C . 11324 1 88 . 1 1 16 16 GLY CA C 13 45.661 0.300 . 1 . . . . 16 GLY CA . 11324 1 89 . 1 1 16 16 GLY N N 15 111.036 0.300 . 1 . . . . 16 GLY N . 11324 1 90 . 1 1 17 17 CYS H H 1 7.744 0.030 . 1 . . . . 17 CYS H . 11324 1 91 . 1 1 17 17 CYS HA H 1 4.443 0.030 . 1 . . . . 17 CYS HA . 11324 1 92 . 1 1 17 17 CYS HB2 H 1 3.194 0.030 . 2 . . . . 17 CYS HB2 . 11324 1 93 . 1 1 17 17 CYS HB3 H 1 2.870 0.030 . 2 . . . . 17 CYS HB3 . 11324 1 94 . 1 1 17 17 CYS C C 13 175.808 0.300 . 1 . . . . 17 CYS C . 11324 1 95 . 1 1 17 17 CYS CA C 13 60.509 0.300 . 1 . . . . 17 CYS CA . 11324 1 96 . 1 1 17 17 CYS CB C 13 30.721 0.300 . 1 . . . . 17 CYS CB . 11324 1 97 . 1 1 17 17 CYS N N 15 123.128 0.300 . 1 . . . . 17 CYS N . 11324 1 98 . 1 1 18 18 ALA H H 1 8.751 0.030 . 1 . . . . 18 ALA H . 11324 1 99 . 1 1 18 18 ALA HA H 1 4.607 0.030 . 1 . . . . 18 ALA HA . 11324 1 100 . 1 1 18 18 ALA HB1 H 1 1.491 0.030 . 1 . . . . 18 ALA HB . 11324 1 101 . 1 1 18 18 ALA HB2 H 1 1.491 0.030 . 1 . . . . 18 ALA HB . 11324 1 102 . 1 1 18 18 ALA HB3 H 1 1.491 0.030 . 1 . . . . 18 ALA HB . 11324 1 103 . 1 1 18 18 ALA C C 13 177.592 0.300 . 1 . . . . 18 ALA C . 11324 1 104 . 1 1 18 18 ALA CA C 13 51.969 0.300 . 1 . . . . 18 ALA CA . 11324 1 105 . 1 1 18 18 ALA CB C 13 19.183 0.300 . 1 . . . . 18 ALA CB . 11324 1 106 . 1 1 18 18 ALA N N 15 130.983 0.300 . 1 . . . . 18 ALA N . 11324 1 107 . 1 1 19 19 THR H H 1 8.799 0.030 . 1 . . . . 19 THR H . 11324 1 108 . 1 1 19 19 THR HA H 1 4.214 0.030 . 1 . . . . 19 THR HA . 11324 1 109 . 1 1 19 19 THR HB H 1 4.328 0.030 . 1 . . . . 19 THR HB . 11324 1 110 . 1 1 19 19 THR HG21 H 1 1.389 0.030 . 1 . . . . 19 THR HG2 . 11324 1 111 . 1 1 19 19 THR HG22 H 1 1.389 0.030 . 1 . . . . 19 THR HG2 . 11324 1 112 . 1 1 19 19 THR HG23 H 1 1.389 0.030 . 1 . . . . 19 THR HG2 . 11324 1 113 . 1 1 19 19 THR C C 13 174.317 0.300 . 1 . . . . 19 THR C . 11324 1 114 . 1 1 19 19 THR CA C 13 64.469 0.300 . 1 . . . . 19 THR CA . 11324 1 115 . 1 1 19 19 THR CB C 13 68.832 0.300 . 1 . . . . 19 THR CB . 11324 1 116 . 1 1 19 19 THR CG2 C 13 24.318 0.300 . 1 . . . . 19 THR CG2 . 11324 1 117 . 1 1 19 19 THR N N 15 119.432 0.300 . 1 . . . . 19 THR N . 11324 1 118 . 1 1 20 20 THR H H 1 8.515 0.030 . 1 . . . . 20 THR H . 11324 1 119 . 1 1 20 20 THR HA H 1 4.984 0.030 . 1 . . . . 20 THR HA . 11324 1 120 . 1 1 20 20 THR HB H 1 4.192 0.030 . 1 . . . . 20 THR HB . 11324 1 121 . 1 1 20 20 THR HG21 H 1 1.283 0.030 . 1 . . . . 20 THR HG2 . 11324 1 122 . 1 1 20 20 THR HG22 H 1 1.283 0.030 . 1 . . . . 20 THR HG2 . 11324 1 123 . 1 1 20 20 THR HG23 H 1 1.283 0.030 . 1 . . . . 20 THR HG2 . 11324 1 124 . 1 1 20 20 THR C C 13 173.879 0.300 . 1 . . . . 20 THR C . 11324 1 125 . 1 1 20 20 THR CA C 13 60.421 0.300 . 1 . . . . 20 THR CA . 11324 1 126 . 1 1 20 20 THR CB C 13 71.263 0.300 . 1 . . . . 20 THR CB . 11324 1 127 . 1 1 20 20 THR CG2 C 13 21.449 0.300 . 1 . . . . 20 THR CG2 . 11324 1 128 . 1 1 20 20 THR N N 15 120.216 0.300 . 1 . . . . 20 THR N . 11324 1 129 . 1 1 21 21 TYR H H 1 8.316 0.030 . 1 . . . . 21 TYR H . 11324 1 130 . 1 1 21 21 TYR HA H 1 3.902 0.030 . 1 . . . . 21 TYR HA . 11324 1 131 . 1 1 21 21 TYR HB2 H 1 2.268 0.030 . 2 . . . . 21 TYR HB2 . 11324 1 132 . 1 1 21 21 TYR HB3 H 1 2.644 0.030 . 2 . . . . 21 TYR HB3 . 11324 1 133 . 1 1 21 21 TYR HD1 H 1 6.709 0.030 . 1 . . . . 21 TYR HD1 . 11324 1 134 . 1 1 21 21 TYR HD2 H 1 6.709 0.030 . 1 . . . . 21 TYR HD2 . 11324 1 135 . 1 1 21 21 TYR HE1 H 1 6.690 0.030 . 1 . . . . 21 TYR HE1 . 11324 1 136 . 1 1 21 21 TYR HE2 H 1 6.690 0.030 . 1 . . . . 21 TYR HE2 . 11324 1 137 . 1 1 21 21 TYR C C 13 174.912 0.300 . 1 . . . . 21 TYR C . 11324 1 138 . 1 1 21 21 TYR CA C 13 59.691 0.300 . 1 . . . . 21 TYR CA . 11324 1 139 . 1 1 21 21 TYR CB C 13 38.120 0.300 . 1 . . . . 21 TYR CB . 11324 1 140 . 1 1 21 21 TYR CD1 C 13 132.898 0.300 . 1 . . . . 21 TYR CD1 . 11324 1 141 . 1 1 21 21 TYR CD2 C 13 132.898 0.300 . 1 . . . . 21 TYR CD2 . 11324 1 142 . 1 1 21 21 TYR CE1 C 13 118.014 0.300 . 1 . . . . 21 TYR CE1 . 11324 1 143 . 1 1 21 21 TYR CE2 C 13 118.014 0.300 . 1 . . . . 21 TYR CE2 . 11324 1 144 . 1 1 21 21 TYR N N 15 123.237 0.300 . 1 . . . . 21 TYR N . 11324 1 145 . 1 1 22 22 ASN H H 1 7.378 0.030 . 1 . . . . 22 ASN H . 11324 1 146 . 1 1 22 22 ASN HA H 1 4.395 0.030 . 1 . . . . 22 ASN HA . 11324 1 147 . 1 1 22 22 ASN HB2 H 1 2.643 0.030 . 1 . . . . 22 ASN HB2 . 11324 1 148 . 1 1 22 22 ASN HB3 H 1 2.643 0.030 . 1 . . . . 22 ASN HB3 . 11324 1 149 . 1 1 22 22 ASN HD21 H 1 7.599 0.030 . 2 . . . . 22 ASN HD21 . 11324 1 150 . 1 1 22 22 ASN HD22 H 1 6.924 0.030 . 2 . . . . 22 ASN HD22 . 11324 1 151 . 1 1 22 22 ASN C C 13 174.764 0.300 . 1 . . . . 22 ASN C . 11324 1 152 . 1 1 22 22 ASN CA C 13 52.828 0.300 . 1 . . . . 22 ASN CA . 11324 1 153 . 1 1 22 22 ASN CB C 13 40.339 0.300 . 1 . . . . 22 ASN CB . 11324 1 154 . 1 1 22 22 ASN N N 15 123.276 0.300 . 1 . . . . 22 ASN N . 11324 1 155 . 1 1 22 22 ASN ND2 N 15 112.811 0.300 . 1 . . . . 22 ASN ND2 . 11324 1 156 . 1 1 23 23 LYS HA H 1 4.056 0.030 . 1 . . . . 23 LYS HA . 11324 1 157 . 1 1 23 23 LYS HB2 H 1 1.622 0.030 . 2 . . . . 23 LYS HB2 . 11324 1 158 . 1 1 23 23 LYS HB3 H 1 1.692 0.030 . 2 . . . . 23 LYS HB3 . 11324 1 159 . 1 1 23 23 LYS HD2 H 1 1.604 0.030 . 1 . . . . 23 LYS HD2 . 11324 1 160 . 1 1 23 23 LYS HD3 H 1 1.604 0.030 . 1 . . . . 23 LYS HD3 . 11324 1 161 . 1 1 23 23 LYS HE2 H 1 2.913 0.030 . 1 . . . . 23 LYS HE2 . 11324 1 162 . 1 1 23 23 LYS HE3 H 1 2.913 0.030 . 1 . . . . 23 LYS HE3 . 11324 1 163 . 1 1 23 23 LYS HG2 H 1 1.186 0.030 . 2 . . . . 23 LYS HG2 . 11324 1 164 . 1 1 23 23 LYS HG3 H 1 1.012 0.030 . 2 . . . . 23 LYS HG3 . 11324 1 165 . 1 1 23 23 LYS C C 13 176.047 0.300 . 1 . . . . 23 LYS C . 11324 1 166 . 1 1 23 23 LYS CA C 13 57.546 0.300 . 1 . . . . 23 LYS CA . 11324 1 167 . 1 1 23 23 LYS CB C 13 32.532 0.300 . 1 . . . . 23 LYS CB . 11324 1 168 . 1 1 23 23 LYS CD C 13 29.217 0.300 . 1 . . . . 23 LYS CD . 11324 1 169 . 1 1 23 23 LYS CE C 13 42.168 0.300 . 1 . . . . 23 LYS CE . 11324 1 170 . 1 1 23 23 LYS CG C 13 24.068 0.300 . 1 . . . . 23 LYS CG . 11324 1 171 . 1 1 24 24 HIS H H 1 8.250 0.030 . 1 . . . . 24 HIS H . 11324 1 172 . 1 1 24 24 HIS HA H 1 4.624 0.030 . 1 . . . . 24 HIS HA . 11324 1 173 . 1 1 24 24 HIS HB2 H 1 3.009 0.030 . 2 . . . . 24 HIS HB2 . 11324 1 174 . 1 1 24 24 HIS HB3 H 1 3.198 0.030 . 2 . . . . 24 HIS HB3 . 11324 1 175 . 1 1 24 24 HIS HD2 H 1 7.051 0.030 . 1 . . . . 24 HIS HD2 . 11324 1 176 . 1 1 24 24 HIS C C 13 175.262 0.300 . 1 . . . . 24 HIS C . 11324 1 177 . 1 1 24 24 HIS CA C 13 56.319 0.300 . 1 . . . . 24 HIS CA . 11324 1 178 . 1 1 24 24 HIS CB C 13 30.900 0.300 . 1 . . . . 24 HIS CB . 11324 1 179 . 1 1 24 24 HIS CD2 C 13 120.578 0.300 . 1 . . . . 24 HIS CD2 . 11324 1 180 . 1 1 24 24 HIS N N 15 118.380 0.300 . 1 . . . . 24 HIS N . 11324 1 181 . 1 1 25 25 ILE H H 1 7.731 0.030 . 1 . . . . 25 ILE H . 11324 1 182 . 1 1 25 25 ILE HA H 1 4.271 0.030 . 1 . . . . 25 ILE HA . 11324 1 183 . 1 1 25 25 ILE HB H 1 1.851 0.030 . 1 . . . . 25 ILE HB . 11324 1 184 . 1 1 25 25 ILE HD11 H 1 0.871 0.030 . 1 . . . . 25 ILE HD1 . 11324 1 185 . 1 1 25 25 ILE HD12 H 1 0.871 0.030 . 1 . . . . 25 ILE HD1 . 11324 1 186 . 1 1 25 25 ILE HD13 H 1 0.871 0.030 . 1 . . . . 25 ILE HD1 . 11324 1 187 . 1 1 25 25 ILE HG12 H 1 1.120 0.030 . 2 . . . . 25 ILE HG12 . 11324 1 188 . 1 1 25 25 ILE HG13 H 1 1.383 0.030 . 2 . . . . 25 ILE HG13 . 11324 1 189 . 1 1 25 25 ILE HG21 H 1 0.911 0.030 . 1 . . . . 25 ILE HG2 . 11324 1 190 . 1 1 25 25 ILE HG22 H 1 0.911 0.030 . 1 . . . . 25 ILE HG2 . 11324 1 191 . 1 1 25 25 ILE HG23 H 1 0.911 0.030 . 1 . . . . 25 ILE HG2 . 11324 1 192 . 1 1 25 25 ILE C C 13 175.869 0.300 . 1 . . . . 25 ILE C . 11324 1 193 . 1 1 25 25 ILE CA C 13 60.912 0.300 . 1 . . . . 25 ILE CA . 11324 1 194 . 1 1 25 25 ILE CB C 13 39.313 0.300 . 1 . . . . 25 ILE CB . 11324 1 195 . 1 1 25 25 ILE CD1 C 13 12.972 0.300 . 1 . . . . 25 ILE CD1 . 11324 1 196 . 1 1 25 25 ILE CG1 C 13 26.999 0.300 . 1 . . . . 25 ILE CG1 . 11324 1 197 . 1 1 25 25 ILE CG2 C 13 17.460 0.300 . 1 . . . . 25 ILE CG2 . 11324 1 198 . 1 1 25 25 ILE N N 15 119.633 0.300 . 1 . . . . 25 ILE N . 11324 1 199 . 1 1 26 26 ASN HA H 1 4.668 0.030 . 1 . . . . 26 ASN HA . 11324 1 200 . 1 1 26 26 ASN HB2 H 1 2.778 0.030 . 2 . . . . 26 ASN HB2 . 11324 1 201 . 1 1 26 26 ASN HB3 H 1 2.868 0.030 . 2 . . . . 26 ASN HB3 . 11324 1 202 . 1 1 26 26 ASN HD21 H 1 7.551 0.030 . 2 . . . . 26 ASN HD21 . 11324 1 203 . 1 1 26 26 ASN HD22 H 1 6.822 0.030 . 2 . . . . 26 ASN HD22 . 11324 1 204 . 1 1 26 26 ASN C C 13 174.651 0.300 . 1 . . . . 26 ASN C . 11324 1 205 . 1 1 26 26 ASN CA C 13 53.424 0.300 . 1 . . . . 26 ASN CA . 11324 1 206 . 1 1 26 26 ASN CB C 13 37.623 0.300 . 1 . . . . 26 ASN CB . 11324 1 207 . 1 1 26 26 ASN ND2 N 15 112.050 0.300 . 1 . . . . 26 ASN ND2 . 11324 1 208 . 1 1 27 27 ILE H H 1 7.606 0.030 . 1 . . . . 27 ILE H . 11324 1 209 . 1 1 27 27 ILE HA H 1 4.087 0.030 . 1 . . . . 27 ILE HA . 11324 1 210 . 1 1 27 27 ILE HB H 1 1.725 0.030 . 1 . . . . 27 ILE HB . 11324 1 211 . 1 1 27 27 ILE HD11 H 1 0.784 0.030 . 1 . . . . 27 ILE HD1 . 11324 1 212 . 1 1 27 27 ILE HD12 H 1 0.784 0.030 . 1 . . . . 27 ILE HD1 . 11324 1 213 . 1 1 27 27 ILE HD13 H 1 0.784 0.030 . 1 . . . . 27 ILE HD1 . 11324 1 214 . 1 1 27 27 ILE HG12 H 1 1.080 0.030 . 2 . . . . 27 ILE HG12 . 11324 1 215 . 1 1 27 27 ILE HG13 H 1 1.397 0.030 . 2 . . . . 27 ILE HG13 . 11324 1 216 . 1 1 27 27 ILE HG21 H 1 0.860 0.030 . 1 . . . . 27 ILE HG2 . 11324 1 217 . 1 1 27 27 ILE HG22 H 1 0.860 0.030 . 1 . . . . 27 ILE HG2 . 11324 1 218 . 1 1 27 27 ILE HG23 H 1 0.860 0.030 . 1 . . . . 27 ILE HG2 . 11324 1 219 . 1 1 27 27 ILE C C 13 174.669 0.300 . 1 . . . . 27 ILE C . 11324 1 220 . 1 1 27 27 ILE CA C 13 60.435 0.300 . 1 . . . . 27 ILE CA . 11324 1 221 . 1 1 27 27 ILE CB C 13 39.715 0.300 . 1 . . . . 27 ILE CB . 11324 1 222 . 1 1 27 27 ILE CD1 C 13 12.802 0.300 . 1 . . . . 27 ILE CD1 . 11324 1 223 . 1 1 27 27 ILE CG1 C 13 27.586 0.300 . 1 . . . . 27 ILE CG1 . 11324 1 224 . 1 1 27 27 ILE CG2 C 13 18.210 0.300 . 1 . . . . 27 ILE CG2 . 11324 1 225 . 1 1 27 27 ILE N N 15 121.930 0.300 . 1 . . . . 27 ILE N . 11324 1 226 . 1 1 28 28 SER H H 1 8.226 0.030 . 1 . . . . 28 SER H . 11324 1 227 . 1 1 28 28 SER HA H 1 4.635 0.030 . 1 . . . . 28 SER HA . 11324 1 228 . 1 1 28 28 SER HB2 H 1 3.917 0.030 . 2 . . . . 28 SER HB2 . 11324 1 229 . 1 1 28 28 SER HB3 H 1 3.697 0.030 . 2 . . . . 28 SER HB3 . 11324 1 230 . 1 1 28 28 SER C C 13 172.110 0.300 . 1 . . . . 28 SER C . 11324 1 231 . 1 1 28 28 SER CA C 13 56.368 0.300 . 1 . . . . 28 SER CA . 11324 1 232 . 1 1 28 28 SER CB C 13 64.985 0.300 . 1 . . . . 28 SER CB . 11324 1 233 . 1 1 28 28 SER N N 15 120.222 0.300 . 1 . . . . 28 SER N . 11324 1 234 . 1 1 29 29 PHE H H 1 8.239 0.030 . 1 . . . . 29 PHE H . 11324 1 235 . 1 1 29 29 PHE HA H 1 4.851 0.030 . 1 . . . . 29 PHE HA . 11324 1 236 . 1 1 29 29 PHE HB2 H 1 2.404 0.030 . 2 . . . . 29 PHE HB2 . 11324 1 237 . 1 1 29 29 PHE HB3 H 1 2.517 0.030 . 2 . . . . 29 PHE HB3 . 11324 1 238 . 1 1 29 29 PHE HD1 H 1 6.933 0.030 . 1 . . . . 29 PHE HD1 . 11324 1 239 . 1 1 29 29 PHE HD2 H 1 6.933 0.030 . 1 . . . . 29 PHE HD2 . 11324 1 240 . 1 1 29 29 PHE HE1 H 1 7.140 0.030 . 1 . . . . 29 PHE HE1 . 11324 1 241 . 1 1 29 29 PHE HE2 H 1 7.140 0.030 . 1 . . . . 29 PHE HE2 . 11324 1 242 . 1 1 29 29 PHE HZ H 1 7.155 0.030 . 1 . . . . 29 PHE HZ . 11324 1 243 . 1 1 29 29 PHE C C 13 175.301 0.300 . 1 . . . . 29 PHE C . 11324 1 244 . 1 1 29 29 PHE CA C 13 56.836 0.300 . 1 . . . . 29 PHE CA . 11324 1 245 . 1 1 29 29 PHE CB C 13 41.526 0.300 . 1 . . . . 29 PHE CB . 11324 1 246 . 1 1 29 29 PHE CD1 C 13 131.185 0.300 . 1 . . . . 29 PHE CD1 . 11324 1 247 . 1 1 29 29 PHE CD2 C 13 131.185 0.300 . 1 . . . . 29 PHE CD2 . 11324 1 248 . 1 1 29 29 PHE CE1 C 13 131.169 0.300 . 1 . . . . 29 PHE CE1 . 11324 1 249 . 1 1 29 29 PHE CE2 C 13 131.169 0.300 . 1 . . . . 29 PHE CE2 . 11324 1 250 . 1 1 29 29 PHE CZ C 13 129.596 0.300 . 1 . . . . 29 PHE CZ . 11324 1 251 . 1 1 29 29 PHE N N 15 117.793 0.300 . 1 . . . . 29 PHE N . 11324 1 252 . 1 1 30 30 HIS H H 1 9.082 0.030 . 1 . . . . 30 HIS H . 11324 1 253 . 1 1 30 30 HIS HA H 1 4.893 0.030 . 1 . . . . 30 HIS HA . 11324 1 254 . 1 1 30 30 HIS HB2 H 1 3.311 0.030 . 2 . . . . 30 HIS HB2 . 11324 1 255 . 1 1 30 30 HIS HB3 H 1 3.210 0.030 . 2 . . . . 30 HIS HB3 . 11324 1 256 . 1 1 30 30 HIS HD2 H 1 6.970 0.030 . 1 . . . . 30 HIS HD2 . 11324 1 257 . 1 1 30 30 HIS HE1 H 1 7.775 0.030 . 1 . . . . 30 HIS HE1 . 11324 1 258 . 1 1 30 30 HIS C C 13 174.688 0.300 . 1 . . . . 30 HIS C . 11324 1 259 . 1 1 30 30 HIS CA C 13 56.151 0.300 . 1 . . . . 30 HIS CA . 11324 1 260 . 1 1 30 30 HIS CB C 13 31.402 0.300 . 1 . . . . 30 HIS CB . 11324 1 261 . 1 1 30 30 HIS CD2 C 13 126.613 0.300 . 1 . . . . 30 HIS CD2 . 11324 1 262 . 1 1 30 30 HIS CE1 C 13 138.570 0.300 . 1 . . . . 30 HIS CE1 . 11324 1 263 . 1 1 30 30 HIS N N 15 122.085 0.300 . 1 . . . . 30 HIS N . 11324 1 264 . 1 1 31 31 ARG H H 1 8.968 0.030 . 1 . . . . 31 ARG H . 11324 1 265 . 1 1 31 31 ARG HA H 1 4.573 0.030 . 1 . . . . 31 ARG HA . 11324 1 266 . 1 1 31 31 ARG HB2 H 1 1.773 0.030 . 2 . . . . 31 ARG HB2 . 11324 1 267 . 1 1 31 31 ARG HB3 H 1 1.950 0.030 . 2 . . . . 31 ARG HB3 . 11324 1 268 . 1 1 31 31 ARG HD2 H 1 3.237 0.030 . 1 . . . . 31 ARG HD2 . 11324 1 269 . 1 1 31 31 ARG HD3 H 1 3.237 0.030 . 1 . . . . 31 ARG HD3 . 11324 1 270 . 1 1 31 31 ARG HG2 H 1 1.646 0.030 . 2 . . . . 31 ARG HG2 . 11324 1 271 . 1 1 31 31 ARG HG3 H 1 1.728 0.030 . 2 . . . . 31 ARG HG3 . 11324 1 272 . 1 1 31 31 ARG C C 13 175.528 0.300 . 1 . . . . 31 ARG C . 11324 1 273 . 1 1 31 31 ARG CA C 13 56.218 0.300 . 1 . . . . 31 ARG CA . 11324 1 274 . 1 1 31 31 ARG CB C 13 30.827 0.300 . 1 . . . . 31 ARG CB . 11324 1 275 . 1 1 31 31 ARG CD C 13 43.511 0.300 . 1 . . . . 31 ARG CD . 11324 1 276 . 1 1 31 31 ARG CG C 13 28.249 0.300 . 1 . . . . 31 ARG CG . 11324 1 277 . 1 1 31 31 ARG N N 15 125.464 0.300 . 1 . . . . 31 ARG N . 11324 1 278 . 1 1 32 32 PHE H H 1 8.553 0.030 . 1 . . . . 32 PHE H . 11324 1 279 . 1 1 32 32 PHE HA H 1 4.082 0.030 . 1 . . . . 32 PHE HA . 11324 1 280 . 1 1 32 32 PHE HB2 H 1 3.145 0.030 . 2 . . . . 32 PHE HB2 . 11324 1 281 . 1 1 32 32 PHE HB3 H 1 2.374 0.030 . 2 . . . . 32 PHE HB3 . 11324 1 282 . 1 1 32 32 PHE HD1 H 1 7.471 0.030 . 1 . . . . 32 PHE HD1 . 11324 1 283 . 1 1 32 32 PHE HD2 H 1 7.471 0.030 . 1 . . . . 32 PHE HD2 . 11324 1 284 . 1 1 32 32 PHE HE1 H 1 7.395 0.030 . 1 . . . . 32 PHE HE1 . 11324 1 285 . 1 1 32 32 PHE HE2 H 1 7.395 0.030 . 1 . . . . 32 PHE HE2 . 11324 1 286 . 1 1 32 32 PHE HZ H 1 7.312 0.030 . 1 . . . . 32 PHE HZ . 11324 1 287 . 1 1 32 32 PHE C C 13 174.327 0.300 . 1 . . . . 32 PHE C . 11324 1 288 . 1 1 32 32 PHE CA C 13 56.321 0.300 . 1 . . . . 32 PHE CA . 11324 1 289 . 1 1 32 32 PHE CB C 13 37.792 0.300 . 1 . . . . 32 PHE CB . 11324 1 290 . 1 1 32 32 PHE CD1 C 13 131.654 0.300 . 1 . . . . 32 PHE CD1 . 11324 1 291 . 1 1 32 32 PHE CD2 C 13 131.654 0.300 . 1 . . . . 32 PHE CD2 . 11324 1 292 . 1 1 32 32 PHE CE1 C 13 131.583 0.300 . 1 . . . . 32 PHE CE1 . 11324 1 293 . 1 1 32 32 PHE CE2 C 13 131.583 0.300 . 1 . . . . 32 PHE CE2 . 11324 1 294 . 1 1 32 32 PHE CZ C 13 128.880 0.300 . 1 . . . . 32 PHE CZ . 11324 1 295 . 1 1 32 32 PHE N N 15 120.703 0.300 . 1 . . . . 32 PHE N . 11324 1 296 . 1 1 33 33 PRO HA H 1 4.073 0.030 . 1 . . . . 33 PRO HA . 11324 1 297 . 1 1 33 33 PRO HB2 H 1 1.464 0.030 . 2 . . . . 33 PRO HB2 . 11324 1 298 . 1 1 33 33 PRO HB3 H 1 2.197 0.030 . 2 . . . . 33 PRO HB3 . 11324 1 299 . 1 1 33 33 PRO HD2 H 1 1.121 0.030 . 2 . . . . 33 PRO HD2 . 11324 1 300 . 1 1 33 33 PRO HD3 H 1 1.977 0.030 . 2 . . . . 33 PRO HD3 . 11324 1 301 . 1 1 33 33 PRO HG2 H 1 0.959 0.030 . 2 . . . . 33 PRO HG2 . 11324 1 302 . 1 1 33 33 PRO HG3 H 1 0.731 0.030 . 2 . . . . 33 PRO HG3 . 11324 1 303 . 1 1 33 33 PRO C C 13 175.767 0.300 . 1 . . . . 33 PRO C . 11324 1 304 . 1 1 33 33 PRO CA C 13 62.410 0.300 . 1 . . . . 33 PRO CA . 11324 1 305 . 1 1 33 33 PRO CB C 13 32.840 0.300 . 1 . . . . 33 PRO CB . 11324 1 306 . 1 1 33 33 PRO CD C 13 49.476 0.300 . 1 . . . . 33 PRO CD . 11324 1 307 . 1 1 33 33 PRO CG C 13 26.678 0.300 . 1 . . . . 33 PRO CG . 11324 1 308 . 1 1 34 34 LEU H H 1 8.247 0.030 . 1 . . . . 34 LEU H . 11324 1 309 . 1 1 34 34 LEU HA H 1 4.097 0.030 . 1 . . . . 34 LEU HA . 11324 1 310 . 1 1 34 34 LEU HB2 H 1 1.524 0.030 . 2 . . . . 34 LEU HB2 . 11324 1 311 . 1 1 34 34 LEU HB3 H 1 1.645 0.030 . 2 . . . . 34 LEU HB3 . 11324 1 312 . 1 1 34 34 LEU HD11 H 1 0.822 0.030 . 1 . . . . 34 LEU HD1 . 11324 1 313 . 1 1 34 34 LEU HD12 H 1 0.822 0.030 . 1 . . . . 34 LEU HD1 . 11324 1 314 . 1 1 34 34 LEU HD13 H 1 0.822 0.030 . 1 . . . . 34 LEU HD1 . 11324 1 315 . 1 1 34 34 LEU HD21 H 1 0.907 0.030 . 1 . . . . 34 LEU HD2 . 11324 1 316 . 1 1 34 34 LEU HD22 H 1 0.907 0.030 . 1 . . . . 34 LEU HD2 . 11324 1 317 . 1 1 34 34 LEU HD23 H 1 0.907 0.030 . 1 . . . . 34 LEU HD2 . 11324 1 318 . 1 1 34 34 LEU HG H 1 1.688 0.030 . 1 . . . . 34 LEU HG . 11324 1 319 . 1 1 34 34 LEU C C 13 178.309 0.300 . 1 . . . . 34 LEU C . 11324 1 320 . 1 1 34 34 LEU CA C 13 55.934 0.300 . 1 . . . . 34 LEU CA . 11324 1 321 . 1 1 34 34 LEU CB C 13 42.218 0.300 . 1 . . . . 34 LEU CB . 11324 1 322 . 1 1 34 34 LEU CD1 C 13 23.200 0.300 . 2 . . . . 34 LEU CD1 . 11324 1 323 . 1 1 34 34 LEU CD2 C 13 24.825 0.300 . 2 . . . . 34 LEU CD2 . 11324 1 324 . 1 1 34 34 LEU CG C 13 27.002 0.300 . 1 . . . . 34 LEU CG . 11324 1 325 . 1 1 34 34 LEU N N 15 121.826 0.300 . 1 . . . . 34 LEU N . 11324 1 326 . 1 1 35 35 ASP H H 1 7.790 0.030 . 1 . . . . 35 ASP H . 11324 1 327 . 1 1 35 35 ASP HA H 1 4.682 0.030 . 1 . . . . 35 ASP HA . 11324 1 328 . 1 1 35 35 ASP HB2 H 1 2.512 0.030 . 2 . . . . 35 ASP HB2 . 11324 1 329 . 1 1 35 35 ASP HB3 H 1 2.776 0.030 . 2 . . . . 35 ASP HB3 . 11324 1 330 . 1 1 35 35 ASP C C 13 174.940 0.300 . 1 . . . . 35 ASP C . 11324 1 331 . 1 1 35 35 ASP CA C 13 51.910 0.300 . 1 . . . . 35 ASP CA . 11324 1 332 . 1 1 35 35 ASP CB C 13 42.473 0.300 . 1 . . . . 35 ASP CB . 11324 1 333 . 1 1 35 35 ASP N N 15 120.803 0.300 . 1 . . . . 35 ASP N . 11324 1 334 . 1 1 36 36 PRO HA H 1 4.066 0.030 . 1 . . . . 36 PRO HA . 11324 1 335 . 1 1 36 36 PRO HB2 H 1 2.010 0.030 . 2 . . . . 36 PRO HB2 . 11324 1 336 . 1 1 36 36 PRO HB3 H 1 2.369 0.030 . 2 . . . . 36 PRO HB3 . 11324 1 337 . 1 1 36 36 PRO HD2 H 1 3.840 0.030 . 2 . . . . 36 PRO HD2 . 11324 1 338 . 1 1 36 36 PRO HD3 H 1 4.114 0.030 . 2 . . . . 36 PRO HD3 . 11324 1 339 . 1 1 36 36 PRO HG2 H 1 2.050 0.030 . 2 . . . . 36 PRO HG2 . 11324 1 340 . 1 1 36 36 PRO HG3 H 1 2.155 0.030 . 2 . . . . 36 PRO HG3 . 11324 1 341 . 1 1 36 36 PRO C C 13 179.100 0.300 . 1 . . . . 36 PRO C . 11324 1 342 . 1 1 36 36 PRO CA C 13 65.573 0.300 . 1 . . . . 36 PRO CA . 11324 1 343 . 1 1 36 36 PRO CB C 13 32.459 0.300 . 1 . . . . 36 PRO CB . 11324 1 344 . 1 1 36 36 PRO CD C 13 51.244 0.300 . 1 . . . . 36 PRO CD . 11324 1 345 . 1 1 36 36 PRO CG C 13 27.637 0.300 . 1 . . . . 36 PRO CG . 11324 1 346 . 1 1 37 37 LYS H H 1 7.976 0.030 . 1 . . . . 37 LYS H . 11324 1 347 . 1 1 37 37 LYS HA H 1 4.090 0.030 . 1 . . . . 37 LYS HA . 11324 1 348 . 1 1 37 37 LYS HB2 H 1 1.921 0.030 . 2 . . . . 37 LYS HB2 . 11324 1 349 . 1 1 37 37 LYS HB3 H 1 1.975 0.030 . 2 . . . . 37 LYS HB3 . 11324 1 350 . 1 1 37 37 LYS HD2 H 1 1.744 0.030 . 1 . . . . 37 LYS HD2 . 11324 1 351 . 1 1 37 37 LYS HD3 H 1 1.744 0.030 . 1 . . . . 37 LYS HD3 . 11324 1 352 . 1 1 37 37 LYS HE2 H 1 3.029 0.030 . 1 . . . . 37 LYS HE2 . 11324 1 353 . 1 1 37 37 LYS HE3 H 1 3.029 0.030 . 1 . . . . 37 LYS HE3 . 11324 1 354 . 1 1 37 37 LYS HG2 H 1 1.418 0.030 . 2 . . . . 37 LYS HG2 . 11324 1 355 . 1 1 37 37 LYS HG3 H 1 1.549 0.030 . 2 . . . . 37 LYS HG3 . 11324 1 356 . 1 1 37 37 LYS C C 13 179.517 0.300 . 1 . . . . 37 LYS C . 11324 1 357 . 1 1 37 37 LYS CA C 13 59.820 0.300 . 1 . . . . 37 LYS CA . 11324 1 358 . 1 1 37 37 LYS CB C 13 32.131 0.300 . 1 . . . . 37 LYS CB . 11324 1 359 . 1 1 37 37 LYS CD C 13 29.635 0.300 . 1 . . . . 37 LYS CD . 11324 1 360 . 1 1 37 37 LYS CE C 13 42.164 0.300 . 1 . . . . 37 LYS CE . 11324 1 361 . 1 1 37 37 LYS CG C 13 25.458 0.300 . 1 . . . . 37 LYS CG . 11324 1 362 . 1 1 37 37 LYS N N 15 118.347 0.300 . 1 . . . . 37 LYS N . 11324 1 363 . 1 1 38 38 ARG H H 1 8.060 0.030 . 1 . . . . 38 ARG H . 11324 1 364 . 1 1 38 38 ARG HA H 1 4.263 0.030 . 1 . . . . 38 ARG HA . 11324 1 365 . 1 1 38 38 ARG HB2 H 1 1.772 0.030 . 1 . . . . 38 ARG HB2 . 11324 1 366 . 1 1 38 38 ARG HB3 H 1 1.772 0.030 . 1 . . . . 38 ARG HB3 . 11324 1 367 . 1 1 38 38 ARG HD2 H 1 3.312 0.030 . 1 . . . . 38 ARG HD2 . 11324 1 368 . 1 1 38 38 ARG HD3 H 1 3.312 0.030 . 1 . . . . 38 ARG HD3 . 11324 1 369 . 1 1 38 38 ARG HG2 H 1 1.722 0.030 . 2 . . . . 38 ARG HG2 . 11324 1 370 . 1 1 38 38 ARG HG3 H 1 1.888 0.030 . 2 . . . . 38 ARG HG3 . 11324 1 371 . 1 1 38 38 ARG C C 13 178.544 0.300 . 1 . . . . 38 ARG C . 11324 1 372 . 1 1 38 38 ARG CA C 13 58.953 0.300 . 1 . . . . 38 ARG CA . 11324 1 373 . 1 1 38 38 ARG CB C 13 30.559 0.300 . 1 . . . . 38 ARG CB . 11324 1 374 . 1 1 38 38 ARG CD C 13 43.398 0.300 . 1 . . . . 38 ARG CD . 11324 1 375 . 1 1 38 38 ARG CG C 13 28.244 0.300 . 1 . . . . 38 ARG CG . 11324 1 376 . 1 1 38 38 ARG N N 15 120.371 0.300 . 1 . . . . 38 ARG N . 11324 1 377 . 1 1 39 39 ARG H H 1 8.772 0.030 . 1 . . . . 39 ARG H . 11324 1 378 . 1 1 39 39 ARG HA H 1 3.495 0.030 . 1 . . . . 39 ARG HA . 11324 1 379 . 1 1 39 39 ARG HB2 H 1 1.758 0.030 . 2 . . . . 39 ARG HB2 . 11324 1 380 . 1 1 39 39 ARG HB3 H 1 1.981 0.030 . 2 . . . . 39 ARG HB3 . 11324 1 381 . 1 1 39 39 ARG HD2 H 1 3.174 0.030 . 1 . . . . 39 ARG HD2 . 11324 1 382 . 1 1 39 39 ARG HD3 H 1 3.174 0.030 . 1 . . . . 39 ARG HD3 . 11324 1 383 . 1 1 39 39 ARG HG2 H 1 1.502 0.030 . 2 . . . . 39 ARG HG2 . 11324 1 384 . 1 1 39 39 ARG HG3 H 1 1.748 0.030 . 2 . . . . 39 ARG HG3 . 11324 1 385 . 1 1 39 39 ARG C C 13 177.839 0.300 . 1 . . . . 39 ARG C . 11324 1 386 . 1 1 39 39 ARG CA C 13 61.060 0.300 . 1 . . . . 39 ARG CA . 11324 1 387 . 1 1 39 39 ARG CB C 13 30.486 0.300 . 1 . . . . 39 ARG CB . 11324 1 388 . 1 1 39 39 ARG CD C 13 43.479 0.300 . 1 . . . . 39 ARG CD . 11324 1 389 . 1 1 39 39 ARG CG C 13 28.661 0.300 . 1 . . . . 39 ARG CG . 11324 1 390 . 1 1 39 39 ARG N N 15 119.620 0.300 . 1 . . . . 39 ARG N . 11324 1 391 . 1 1 40 40 LYS H H 1 7.791 0.030 . 1 . . . . 40 LYS H . 11324 1 392 . 1 1 40 40 LYS HA H 1 4.088 0.030 . 1 . . . . 40 LYS HA . 11324 1 393 . 1 1 40 40 LYS HB2 H 1 2.012 0.030 . 1 . . . . 40 LYS HB2 . 11324 1 394 . 1 1 40 40 LYS HB3 H 1 2.012 0.030 . 1 . . . . 40 LYS HB3 . 11324 1 395 . 1 1 40 40 LYS HD2 H 1 1.745 0.030 . 2 . . . . 40 LYS HD2 . 11324 1 396 . 1 1 40 40 LYS HD3 H 1 1.749 0.030 . 2 . . . . 40 LYS HD3 . 11324 1 397 . 1 1 40 40 LYS HE2 H 1 3.027 0.030 . 1 . . . . 40 LYS HE2 . 11324 1 398 . 1 1 40 40 LYS HE3 H 1 3.027 0.030 . 1 . . . . 40 LYS HE3 . 11324 1 399 . 1 1 40 40 LYS HG2 H 1 1.550 0.030 . 2 . . . . 40 LYS HG2 . 11324 1 400 . 1 1 40 40 LYS HG3 H 1 1.682 0.030 . 2 . . . . 40 LYS HG3 . 11324 1 401 . 1 1 40 40 LYS C C 13 179.069 0.300 . 1 . . . . 40 LYS C . 11324 1 402 . 1 1 40 40 LYS CA C 13 59.699 0.300 . 1 . . . . 40 LYS CA . 11324 1 403 . 1 1 40 40 LYS CB C 13 32.425 0.300 . 1 . . . . 40 LYS CB . 11324 1 404 . 1 1 40 40 LYS CD C 13 29.593 0.300 . 1 . . . . 40 LYS CD . 11324 1 405 . 1 1 40 40 LYS CE C 13 42.129 0.300 . 1 . . . . 40 LYS CE . 11324 1 406 . 1 1 40 40 LYS CG C 13 25.330 0.300 . 1 . . . . 40 LYS CG . 11324 1 407 . 1 1 40 40 LYS N N 15 116.930 0.300 . 1 . . . . 40 LYS N . 11324 1 408 . 1 1 41 41 GLU H H 1 7.549 0.030 . 1 . . . . 41 GLU H . 11324 1 409 . 1 1 41 41 GLU HA H 1 4.478 0.030 . 1 . . . . 41 GLU HA . 11324 1 410 . 1 1 41 41 GLU HB2 H 1 2.339 0.030 . 2 . . . . 41 GLU HB2 . 11324 1 411 . 1 1 41 41 GLU HB3 H 1 2.386 0.030 . 2 . . . . 41 GLU HB3 . 11324 1 412 . 1 1 41 41 GLU HG2 H 1 2.494 0.030 . 1 . . . . 41 GLU HG2 . 11324 1 413 . 1 1 41 41 GLU HG3 H 1 2.494 0.030 . 1 . . . . 41 GLU HG3 . 11324 1 414 . 1 1 41 41 GLU C C 13 178.665 0.300 . 1 . . . . 41 GLU C . 11324 1 415 . 1 1 41 41 GLU CA C 13 58.714 0.300 . 1 . . . . 41 GLU CA . 11324 1 416 . 1 1 41 41 GLU CB C 13 29.589 0.300 . 1 . . . . 41 GLU CB . 11324 1 417 . 1 1 41 41 GLU CG C 13 35.458 0.300 . 1 . . . . 41 GLU CG . 11324 1 418 . 1 1 41 41 GLU N N 15 119.731 0.300 . 1 . . . . 41 GLU N . 11324 1 419 . 1 1 42 42 TRP H H 1 8.544 0.030 . 1 . . . . 42 TRP H . 11324 1 420 . 1 1 42 42 TRP HA H 1 4.243 0.030 . 1 . . . . 42 TRP HA . 11324 1 421 . 1 1 42 42 TRP HB2 H 1 3.413 0.030 . 2 . . . . 42 TRP HB2 . 11324 1 422 . 1 1 42 42 TRP HB3 H 1 3.055 0.030 . 2 . . . . 42 TRP HB3 . 11324 1 423 . 1 1 42 42 TRP HD1 H 1 7.397 0.030 . 1 . . . . 42 TRP HD1 . 11324 1 424 . 1 1 42 42 TRP HE1 H 1 10.232 0.030 . 1 . . . . 42 TRP HE1 . 11324 1 425 . 1 1 42 42 TRP HE3 H 1 5.860 0.030 . 1 . . . . 42 TRP HE3 . 11324 1 426 . 1 1 42 42 TRP HH2 H 1 6.974 0.030 . 1 . . . . 42 TRP HH2 . 11324 1 427 . 1 1 42 42 TRP HZ2 H 1 7.329 0.030 . 1 . . . . 42 TRP HZ2 . 11324 1 428 . 1 1 42 42 TRP HZ3 H 1 6.750 0.030 . 1 . . . . 42 TRP HZ3 . 11324 1 429 . 1 1 42 42 TRP C C 13 178.240 0.300 . 1 . . . . 42 TRP C . 11324 1 430 . 1 1 42 42 TRP CA C 13 62.099 0.300 . 1 . . . . 42 TRP CA . 11324 1 431 . 1 1 42 42 TRP CB C 13 29.326 0.300 . 1 . . . . 42 TRP CB . 11324 1 432 . 1 1 42 42 TRP CD1 C 13 124.106 0.300 . 1 . . . . 42 TRP CD1 . 11324 1 433 . 1 1 42 42 TRP CE3 C 13 120.641 0.300 . 1 . . . . 42 TRP CE3 . 11324 1 434 . 1 1 42 42 TRP CH2 C 13 126.609 0.300 . 1 . . . . 42 TRP CH2 . 11324 1 435 . 1 1 42 42 TRP CZ2 C 13 114.346 0.300 . 1 . . . . 42 TRP CZ2 . 11324 1 436 . 1 1 42 42 TRP CZ3 C 13 122.719 0.300 . 1 . . . . 42 TRP CZ3 . 11324 1 437 . 1 1 42 42 TRP N N 15 119.361 0.300 . 1 . . . . 42 TRP N . 11324 1 438 . 1 1 42 42 TRP NE1 N 15 128.034 0.300 . 1 . . . . 42 TRP NE1 . 11324 1 439 . 1 1 43 43 VAL H H 1 8.632 0.030 . 1 . . . . 43 VAL H . 11324 1 440 . 1 1 43 43 VAL HA H 1 3.802 0.030 . 1 . . . . 43 VAL HA . 11324 1 441 . 1 1 43 43 VAL HB H 1 2.403 0.030 . 1 . . . . 43 VAL HB . 11324 1 442 . 1 1 43 43 VAL HG11 H 1 1.194 0.030 . 1 . . . . 43 VAL HG1 . 11324 1 443 . 1 1 43 43 VAL HG12 H 1 1.194 0.030 . 1 . . . . 43 VAL HG1 . 11324 1 444 . 1 1 43 43 VAL HG13 H 1 1.194 0.030 . 1 . . . . 43 VAL HG1 . 11324 1 445 . 1 1 43 43 VAL HG21 H 1 1.248 0.030 . 1 . . . . 43 VAL HG2 . 11324 1 446 . 1 1 43 43 VAL HG22 H 1 1.248 0.030 . 1 . . . . 43 VAL HG2 . 11324 1 447 . 1 1 43 43 VAL HG23 H 1 1.248 0.030 . 1 . . . . 43 VAL HG2 . 11324 1 448 . 1 1 43 43 VAL C C 13 178.231 0.300 . 1 . . . . 43 VAL C . 11324 1 449 . 1 1 43 43 VAL CA C 13 67.512 0.300 . 1 . . . . 43 VAL CA . 11324 1 450 . 1 1 43 43 VAL CB C 13 31.958 0.300 . 1 . . . . 43 VAL CB . 11324 1 451 . 1 1 43 43 VAL CG1 C 13 21.938 0.300 . 2 . . . . 43 VAL CG1 . 11324 1 452 . 1 1 43 43 VAL CG2 C 13 24.508 0.300 . 2 . . . . 43 VAL CG2 . 11324 1 453 . 1 1 43 43 VAL N N 15 116.702 0.300 . 1 . . . . 43 VAL N . 11324 1 454 . 1 1 44 44 ARG H H 1 8.122 0.030 . 1 . . . . 44 ARG H . 11324 1 455 . 1 1 44 44 ARG HA H 1 4.099 0.030 . 1 . . . . 44 ARG HA . 11324 1 456 . 1 1 44 44 ARG HB2 H 1 2.121 0.030 . 2 . . . . 44 ARG HB2 . 11324 1 457 . 1 1 44 44 ARG HB3 H 1 1.988 0.030 . 2 . . . . 44 ARG HB3 . 11324 1 458 . 1 1 44 44 ARG HD2 H 1 3.173 0.030 . 2 . . . . 44 ARG HD2 . 11324 1 459 . 1 1 44 44 ARG HD3 H 1 3.371 0.030 . 2 . . . . 44 ARG HD3 . 11324 1 460 . 1 1 44 44 ARG HG2 H 1 1.585 0.030 . 2 . . . . 44 ARG HG2 . 11324 1 461 . 1 1 44 44 ARG HG3 H 1 1.748 0.030 . 2 . . . . 44 ARG HG3 . 11324 1 462 . 1 1 44 44 ARG C C 13 179.079 0.300 . 1 . . . . 44 ARG C . 11324 1 463 . 1 1 44 44 ARG CA C 13 59.447 0.300 . 1 . . . . 44 ARG CA . 11324 1 464 . 1 1 44 44 ARG CB C 13 30.556 0.300 . 1 . . . . 44 ARG CB . 11324 1 465 . 1 1 44 44 ARG CD C 13 43.479 0.300 . 1 . . . . 44 ARG CD . 11324 1 466 . 1 1 44 44 ARG CG C 13 27.489 0.300 . 1 . . . . 44 ARG CG . 11324 1 467 . 1 1 44 44 ARG N N 15 120.539 0.300 . 1 . . . . 44 ARG N . 11324 1 468 . 1 1 45 45 LEU H H 1 7.820 0.030 . 1 . . . . 45 LEU H . 11324 1 469 . 1 1 45 45 LEU HA H 1 3.932 0.030 . 1 . . . . 45 LEU HA . 11324 1 470 . 1 1 45 45 LEU HB2 H 1 1.429 0.030 . 2 . . . . 45 LEU HB2 . 11324 1 471 . 1 1 45 45 LEU HB3 H 1 1.766 0.030 . 2 . . . . 45 LEU HB3 . 11324 1 472 . 1 1 45 45 LEU HD11 H 1 0.889 0.030 . 1 . . . . 45 LEU HD1 . 11324 1 473 . 1 1 45 45 LEU HD12 H 1 0.889 0.030 . 1 . . . . 45 LEU HD1 . 11324 1 474 . 1 1 45 45 LEU HD13 H 1 0.889 0.030 . 1 . . . . 45 LEU HD1 . 11324 1 475 . 1 1 45 45 LEU HD21 H 1 0.898 0.030 . 1 . . . . 45 LEU HD2 . 11324 1 476 . 1 1 45 45 LEU HD22 H 1 0.898 0.030 . 1 . . . . 45 LEU HD2 . 11324 1 477 . 1 1 45 45 LEU HD23 H 1 0.898 0.030 . 1 . . . . 45 LEU HD2 . 11324 1 478 . 1 1 45 45 LEU HG H 1 1.715 0.030 . 1 . . . . 45 LEU HG . 11324 1 479 . 1 1 45 45 LEU C C 13 177.427 0.300 . 1 . . . . 45 LEU C . 11324 1 480 . 1 1 45 45 LEU CA C 13 56.978 0.300 . 1 . . . . 45 LEU CA . 11324 1 481 . 1 1 45 45 LEU CB C 13 42.067 0.300 . 1 . . . . 45 LEU CB . 11324 1 482 . 1 1 45 45 LEU CD1 C 13 25.864 0.300 . 2 . . . . 45 LEU CD1 . 11324 1 483 . 1 1 45 45 LEU CD2 C 13 26.110 0.300 . 2 . . . . 45 LEU CD2 . 11324 1 484 . 1 1 45 45 LEU CG C 13 27.926 0.300 . 1 . . . . 45 LEU CG . 11324 1 485 . 1 1 45 45 LEU N N 15 119.192 0.300 . 1 . . . . 45 LEU N . 11324 1 486 . 1 1 46 46 VAL H H 1 7.658 0.030 . 1 . . . . 46 VAL H . 11324 1 487 . 1 1 46 46 VAL HA H 1 3.358 0.030 . 1 . . . . 46 VAL HA . 11324 1 488 . 1 1 46 46 VAL HB H 1 2.252 0.030 . 1 . . . . 46 VAL HB . 11324 1 489 . 1 1 46 46 VAL HG11 H 1 1.058 0.030 . 1 . . . . 46 VAL HG1 . 11324 1 490 . 1 1 46 46 VAL HG12 H 1 1.058 0.030 . 1 . . . . 46 VAL HG1 . 11324 1 491 . 1 1 46 46 VAL HG13 H 1 1.058 0.030 . 1 . . . . 46 VAL HG1 . 11324 1 492 . 1 1 46 46 VAL HG21 H 1 0.741 0.030 . 1 . . . . 46 VAL HG2 . 11324 1 493 . 1 1 46 46 VAL HG22 H 1 0.741 0.030 . 1 . . . . 46 VAL HG2 . 11324 1 494 . 1 1 46 46 VAL HG23 H 1 0.741 0.030 . 1 . . . . 46 VAL HG2 . 11324 1 495 . 1 1 46 46 VAL C C 13 175.728 0.300 . 1 . . . . 46 VAL C . 11324 1 496 . 1 1 46 46 VAL CA C 13 63.630 0.300 . 1 . . . . 46 VAL CA . 11324 1 497 . 1 1 46 46 VAL CB C 13 31.973 0.300 . 1 . . . . 46 VAL CB . 11324 1 498 . 1 1 46 46 VAL CG1 C 13 22.573 0.300 . 2 . . . . 46 VAL CG1 . 11324 1 499 . 1 1 46 46 VAL CG2 C 13 21.652 0.300 . 2 . . . . 46 VAL CG2 . 11324 1 500 . 1 1 46 46 VAL N N 15 114.560 0.300 . 1 . . . . 46 VAL N . 11324 1 501 . 1 1 47 47 ARG H H 1 7.330 0.030 . 1 . . . . 47 ARG H . 11324 1 502 . 1 1 47 47 ARG HA H 1 3.808 0.030 . 1 . . . . 47 ARG HA . 11324 1 503 . 1 1 47 47 ARG HB2 H 1 1.695 0.030 . 2 . . . . 47 ARG HB2 . 11324 1 504 . 1 1 47 47 ARG HB3 H 1 1.822 0.030 . 2 . . . . 47 ARG HB3 . 11324 1 505 . 1 1 47 47 ARG HD2 H 1 2.809 0.030 . 2 . . . . 47 ARG HD2 . 11324 1 506 . 1 1 47 47 ARG HD3 H 1 2.922 0.030 . 2 . . . . 47 ARG HD3 . 11324 1 507 . 1 1 47 47 ARG HG2 H 1 1.448 0.030 . 1 . . . . 47 ARG HG2 . 11324 1 508 . 1 1 47 47 ARG HG3 H 1 1.448 0.030 . 1 . . . . 47 ARG HG3 . 11324 1 509 . 1 1 47 47 ARG C C 13 175.184 0.300 . 1 . . . . 47 ARG C . 11324 1 510 . 1 1 47 47 ARG CA C 13 57.471 0.300 . 1 . . . . 47 ARG CA . 11324 1 511 . 1 1 47 47 ARG CB C 13 28.009 0.300 . 1 . . . . 47 ARG CB . 11324 1 512 . 1 1 47 47 ARG CD C 13 43.721 0.300 . 1 . . . . 47 ARG CD . 11324 1 513 . 1 1 47 47 ARG CG C 13 27.346 0.300 . 1 . . . . 47 ARG CG . 11324 1 514 . 1 1 47 47 ARG N N 15 114.203 0.300 . 1 . . . . 47 ARG N . 11324 1 515 . 1 1 48 48 ARG H H 1 8.148 0.030 . 1 . . . . 48 ARG H . 11324 1 516 . 1 1 48 48 ARG HA H 1 4.525 0.030 . 1 . . . . 48 ARG HA . 11324 1 517 . 1 1 48 48 ARG HB2 H 1 1.778 0.030 . 2 . . . . 48 ARG HB2 . 11324 1 518 . 1 1 48 48 ARG HB3 H 1 1.314 0.030 . 2 . . . . 48 ARG HB3 . 11324 1 519 . 1 1 48 48 ARG HD2 H 1 3.012 0.030 . 2 . . . . 48 ARG HD2 . 11324 1 520 . 1 1 48 48 ARG HD3 H 1 2.631 0.030 . 2 . . . . 48 ARG HD3 . 11324 1 521 . 1 1 48 48 ARG HG2 H 1 1.512 0.030 . 1 . . . . 48 ARG HG2 . 11324 1 522 . 1 1 48 48 ARG HG3 H 1 1.512 0.030 . 1 . . . . 48 ARG HG3 . 11324 1 523 . 1 1 48 48 ARG C C 13 175.866 0.300 . 1 . . . . 48 ARG C . 11324 1 524 . 1 1 48 48 ARG CA C 13 54.828 0.300 . 1 . . . . 48 ARG CA . 11324 1 525 . 1 1 48 48 ARG CB C 13 32.957 0.300 . 1 . . . . 48 ARG CB . 11324 1 526 . 1 1 48 48 ARG CD C 13 43.361 0.300 . 1 . . . . 48 ARG CD . 11324 1 527 . 1 1 48 48 ARG CG C 13 26.874 0.300 . 1 . . . . 48 ARG CG . 11324 1 528 . 1 1 48 48 ARG N N 15 118.745 0.300 . 1 . . . . 48 ARG N . 11324 1 529 . 1 1 49 49 LYS HA H 1 4.206 0.030 . 1 . . . . 49 LYS HA . 11324 1 530 . 1 1 49 49 LYS HB2 H 1 1.758 0.030 . 1 . . . . 49 LYS HB2 . 11324 1 531 . 1 1 49 49 LYS HB3 H 1 1.758 0.030 . 1 . . . . 49 LYS HB3 . 11324 1 532 . 1 1 49 49 LYS HD2 H 1 1.678 0.030 . 1 . . . . 49 LYS HD2 . 11324 1 533 . 1 1 49 49 LYS HD3 H 1 1.678 0.030 . 1 . . . . 49 LYS HD3 . 11324 1 534 . 1 1 49 49 LYS HE2 H 1 2.995 0.030 . 1 . . . . 49 LYS HE2 . 11324 1 535 . 1 1 49 49 LYS HE3 H 1 2.995 0.030 . 1 . . . . 49 LYS HE3 . 11324 1 536 . 1 1 49 49 LYS HG2 H 1 1.401 0.030 . 2 . . . . 49 LYS HG2 . 11324 1 537 . 1 1 49 49 LYS HG3 H 1 1.463 0.030 . 2 . . . . 49 LYS HG3 . 11324 1 538 . 1 1 49 49 LYS CA C 13 56.694 0.300 . 1 . . . . 49 LYS CA . 11324 1 539 . 1 1 49 49 LYS CB C 13 33.066 0.300 . 1 . . . . 49 LYS CB . 11324 1 540 . 1 1 49 49 LYS CD C 13 29.203 0.300 . 1 . . . . 49 LYS CD . 11324 1 541 . 1 1 49 49 LYS CE C 13 42.067 0.300 . 1 . . . . 49 LYS CE . 11324 1 542 . 1 1 49 49 LYS CG C 13 24.893 0.300 . 1 . . . . 49 LYS CG . 11324 1 543 . 1 1 50 50 ASN HA H 1 4.385 0.030 . 1 . . . . 50 ASN HA . 11324 1 544 . 1 1 50 50 ASN HB2 H 1 2.969 0.030 . 2 . . . . 50 ASN HB2 . 11324 1 545 . 1 1 50 50 ASN HB3 H 1 2.860 0.030 . 2 . . . . 50 ASN HB3 . 11324 1 546 . 1 1 50 50 ASN HD21 H 1 6.955 0.030 . 2 . . . . 50 ASN HD21 . 11324 1 547 . 1 1 50 50 ASN HD22 H 1 7.656 0.030 . 2 . . . . 50 ASN HD22 . 11324 1 548 . 1 1 50 50 ASN C C 13 173.737 0.300 . 1 . . . . 50 ASN C . 11324 1 549 . 1 1 50 50 ASN CA C 13 54.054 0.300 . 1 . . . . 50 ASN CA . 11324 1 550 . 1 1 50 50 ASN CB C 13 37.470 0.300 . 1 . . . . 50 ASN CB . 11324 1 551 . 1 1 50 50 ASN ND2 N 15 113.287 0.300 . 1 . . . . 50 ASN ND2 . 11324 1 552 . 1 1 51 51 PHE H H 1 7.746 0.030 . 1 . . . . 51 PHE H . 11324 1 553 . 1 1 51 51 PHE HA H 1 4.619 0.030 . 1 . . . . 51 PHE HA . 11324 1 554 . 1 1 51 51 PHE HB2 H 1 2.803 0.030 . 2 . . . . 51 PHE HB2 . 11324 1 555 . 1 1 51 51 PHE HB3 H 1 2.882 0.030 . 2 . . . . 51 PHE HB3 . 11324 1 556 . 1 1 51 51 PHE HD1 H 1 7.219 0.030 . 1 . . . . 51 PHE HD1 . 11324 1 557 . 1 1 51 51 PHE HD2 H 1 7.219 0.030 . 1 . . . . 51 PHE HD2 . 11324 1 558 . 1 1 51 51 PHE HE1 H 1 7.092 0.030 . 1 . . . . 51 PHE HE1 . 11324 1 559 . 1 1 51 51 PHE HE2 H 1 7.092 0.030 . 1 . . . . 51 PHE HE2 . 11324 1 560 . 1 1 51 51 PHE HZ H 1 6.818 0.030 . 1 . . . . 51 PHE HZ . 11324 1 561 . 1 1 51 51 PHE C C 13 173.903 0.300 . 1 . . . . 51 PHE C . 11324 1 562 . 1 1 51 51 PHE CA C 13 57.331 0.300 . 1 . . . . 51 PHE CA . 11324 1 563 . 1 1 51 51 PHE CB C 13 41.175 0.300 . 1 . . . . 51 PHE CB . 11324 1 564 . 1 1 51 51 PHE CD1 C 13 131.968 0.300 . 1 . . . . 51 PHE CD1 . 11324 1 565 . 1 1 51 51 PHE CD2 C 13 131.968 0.300 . 1 . . . . 51 PHE CD2 . 11324 1 566 . 1 1 51 51 PHE CE1 C 13 130.424 0.300 . 1 . . . . 51 PHE CE1 . 11324 1 567 . 1 1 51 51 PHE CE2 C 13 130.424 0.300 . 1 . . . . 51 PHE CE2 . 11324 1 568 . 1 1 51 51 PHE CZ C 13 128.830 0.300 . 1 . . . . 51 PHE CZ . 11324 1 569 . 1 1 51 51 PHE N N 15 119.250 0.300 . 1 . . . . 51 PHE N . 11324 1 570 . 1 1 52 52 VAL H H 1 8.045 0.030 . 1 . . . . 52 VAL H . 11324 1 571 . 1 1 52 52 VAL HA H 1 4.058 0.030 . 1 . . . . 52 VAL HA . 11324 1 572 . 1 1 52 52 VAL HB H 1 1.771 0.030 . 1 . . . . 52 VAL HB . 11324 1 573 . 1 1 52 52 VAL HG11 H 1 0.736 0.030 . 1 . . . . 52 VAL HG1 . 11324 1 574 . 1 1 52 52 VAL HG12 H 1 0.736 0.030 . 1 . . . . 52 VAL HG1 . 11324 1 575 . 1 1 52 52 VAL HG13 H 1 0.736 0.030 . 1 . . . . 52 VAL HG1 . 11324 1 576 . 1 1 52 52 VAL HG21 H 1 0.779 0.030 . 1 . . . . 52 VAL HG2 . 11324 1 577 . 1 1 52 52 VAL HG22 H 1 0.779 0.030 . 1 . . . . 52 VAL HG2 . 11324 1 578 . 1 1 52 52 VAL HG23 H 1 0.779 0.030 . 1 . . . . 52 VAL HG2 . 11324 1 579 . 1 1 52 52 VAL C C 13 173.032 0.300 . 1 . . . . 52 VAL C . 11324 1 580 . 1 1 52 52 VAL CA C 13 58.525 0.300 . 1 . . . . 52 VAL CA . 11324 1 581 . 1 1 52 52 VAL CB C 13 33.888 0.300 . 1 . . . . 52 VAL CB . 11324 1 582 . 1 1 52 52 VAL CG1 C 13 20.574 0.300 . 2 . . . . 52 VAL CG1 . 11324 1 583 . 1 1 52 52 VAL CG2 C 13 20.255 0.300 . 2 . . . . 52 VAL CG2 . 11324 1 584 . 1 1 52 52 VAL N N 15 128.977 0.300 . 1 . . . . 52 VAL N . 11324 1 585 . 1 1 53 53 PRO HA H 1 3.739 0.030 . 1 . . . . 53 PRO HA . 11324 1 586 . 1 1 53 53 PRO HB2 H 1 1.163 0.030 . 2 . . . . 53 PRO HB2 . 11324 1 587 . 1 1 53 53 PRO HB3 H 1 1.453 0.030 . 2 . . . . 53 PRO HB3 . 11324 1 588 . 1 1 53 53 PRO HD2 H 1 3.502 0.030 . 2 . . . . 53 PRO HD2 . 11324 1 589 . 1 1 53 53 PRO HD3 H 1 2.822 0.030 . 2 . . . . 53 PRO HD3 . 11324 1 590 . 1 1 53 53 PRO HG2 H 1 1.583 0.030 . 2 . . . . 53 PRO HG2 . 11324 1 591 . 1 1 53 53 PRO HG3 H 1 1.144 0.030 . 2 . . . . 53 PRO HG3 . 11324 1 592 . 1 1 53 53 PRO C C 13 176.098 0.300 . 1 . . . . 53 PRO C . 11324 1 593 . 1 1 53 53 PRO CA C 13 62.063 0.300 . 1 . . . . 53 PRO CA . 11324 1 594 . 1 1 53 53 PRO CB C 13 31.284 0.300 . 1 . . . . 53 PRO CB . 11324 1 595 . 1 1 53 53 PRO CD C 13 50.113 0.300 . 1 . . . . 53 PRO CD . 11324 1 596 . 1 1 53 53 PRO CG C 13 27.072 0.300 . 1 . . . . 53 PRO CG . 11324 1 597 . 1 1 54 54 GLY H H 1 8.318 0.030 . 1 . . . . 54 GLY H . 11324 1 598 . 1 1 54 54 GLY HA2 H 1 4.307 0.030 . 2 . . . . 54 GLY HA2 . 11324 1 599 . 1 1 54 54 GLY HA3 H 1 3.745 0.030 . 2 . . . . 54 GLY HA3 . 11324 1 600 . 1 1 54 54 GLY C C 13 174.686 0.300 . 1 . . . . 54 GLY C . 11324 1 601 . 1 1 54 54 GLY CA C 13 44.120 0.300 . 1 . . . . 54 GLY CA . 11324 1 602 . 1 1 54 54 GLY N N 15 109.964 0.300 . 1 . . . . 54 GLY N . 11324 1 603 . 1 1 55 55 LYS HA H 1 3.933 0.030 . 1 . . . . 55 LYS HA . 11324 1 604 . 1 1 55 55 LYS HB2 H 1 1.442 0.030 . 2 . . . . 55 LYS HB2 . 11324 1 605 . 1 1 55 55 LYS HB3 H 1 1.587 0.030 . 2 . . . . 55 LYS HB3 . 11324 1 606 . 1 1 55 55 LYS HD2 H 1 1.571 0.030 . 1 . . . . 55 LYS HD2 . 11324 1 607 . 1 1 55 55 LYS HD3 H 1 1.571 0.030 . 1 . . . . 55 LYS HD3 . 11324 1 608 . 1 1 55 55 LYS HE2 H 1 2.912 0.030 . 1 . . . . 55 LYS HE2 . 11324 1 609 . 1 1 55 55 LYS HE3 H 1 2.912 0.030 . 1 . . . . 55 LYS HE3 . 11324 1 610 . 1 1 55 55 LYS HG2 H 1 1.097 0.030 . 1 . . . . 55 LYS HG2 . 11324 1 611 . 1 1 55 55 LYS HG3 H 1 1.097 0.030 . 1 . . . . 55 LYS HG3 . 11324 1 612 . 1 1 55 55 LYS C C 13 176.889 0.300 . 1 . . . . 55 LYS C . 11324 1 613 . 1 1 55 55 LYS CA C 13 58.661 0.300 . 1 . . . . 55 LYS CA . 11324 1 614 . 1 1 55 55 LYS CB C 13 32.779 0.300 . 1 . . . . 55 LYS CB . 11324 1 615 . 1 1 55 55 LYS CD C 13 29.233 0.300 . 1 . . . . 55 LYS CD . 11324 1 616 . 1 1 55 55 LYS CE C 13 41.915 0.300 . 1 . . . . 55 LYS CE . 11324 1 617 . 1 1 55 55 LYS CG C 13 24.564 0.300 . 1 . . . . 55 LYS CG . 11324 1 618 . 1 1 56 56 HIS H H 1 8.456 0.030 . 1 . . . . 56 HIS H . 11324 1 619 . 1 1 56 56 HIS HA H 1 4.774 0.030 . 1 . . . . 56 HIS HA . 11324 1 620 . 1 1 56 56 HIS HB2 H 1 2.986 0.030 . 2 . . . . 56 HIS HB2 . 11324 1 621 . 1 1 56 56 HIS HB3 H 1 3.338 0.030 . 2 . . . . 56 HIS HB3 . 11324 1 622 . 1 1 56 56 HIS HD2 H 1 7.010 0.030 . 1 . . . . 56 HIS HD2 . 11324 1 623 . 1 1 56 56 HIS HE1 H 1 7.734 0.030 . 1 . . . . 56 HIS HE1 . 11324 1 624 . 1 1 56 56 HIS C C 13 174.644 0.300 . 1 . . . . 56 HIS C . 11324 1 625 . 1 1 56 56 HIS CA C 13 54.843 0.300 . 1 . . . . 56 HIS CA . 11324 1 626 . 1 1 56 56 HIS CB C 13 30.748 0.300 . 1 . . . . 56 HIS CB . 11324 1 627 . 1 1 56 56 HIS CD2 C 13 119.683 0.300 . 1 . . . . 56 HIS CD2 . 11324 1 628 . 1 1 56 56 HIS CE1 C 13 138.596 0.300 . 1 . . . . 56 HIS CE1 . 11324 1 629 . 1 1 56 56 HIS N N 15 116.305 0.300 . 1 . . . . 56 HIS N . 11324 1 630 . 1 1 57 57 THR H H 1 7.126 0.030 . 1 . . . . 57 THR H . 11324 1 631 . 1 1 57 57 THR HA H 1 4.515 0.030 . 1 . . . . 57 THR HA . 11324 1 632 . 1 1 57 57 THR HB H 1 3.740 0.030 . 1 . . . . 57 THR HB . 11324 1 633 . 1 1 57 57 THR HG21 H 1 1.244 0.030 . 1 . . . . 57 THR HG2 . 11324 1 634 . 1 1 57 57 THR HG22 H 1 1.244 0.030 . 1 . . . . 57 THR HG2 . 11324 1 635 . 1 1 57 57 THR HG23 H 1 1.244 0.030 . 1 . . . . 57 THR HG2 . 11324 1 636 . 1 1 57 57 THR C C 13 173.395 0.300 . 1 . . . . 57 THR C . 11324 1 637 . 1 1 57 57 THR CA C 13 62.657 0.300 . 1 . . . . 57 THR CA . 11324 1 638 . 1 1 57 57 THR CB C 13 69.305 0.300 . 1 . . . . 57 THR CB . 11324 1 639 . 1 1 57 57 THR CG2 C 13 23.272 0.300 . 1 . . . . 57 THR CG2 . 11324 1 640 . 1 1 57 57 THR N N 15 116.616 0.300 . 1 . . . . 57 THR N . 11324 1 641 . 1 1 58 58 PHE H H 1 9.281 0.030 . 1 . . . . 58 PHE H . 11324 1 642 . 1 1 58 58 PHE HA H 1 5.760 0.030 . 1 . . . . 58 PHE HA . 11324 1 643 . 1 1 58 58 PHE HB2 H 1 3.122 0.030 . 1 . . . . 58 PHE HB2 . 11324 1 644 . 1 1 58 58 PHE HB3 H 1 3.122 0.030 . 1 . . . . 58 PHE HB3 . 11324 1 645 . 1 1 58 58 PHE HD1 H 1 7.191 0.030 . 1 . . . . 58 PHE HD1 . 11324 1 646 . 1 1 58 58 PHE HD2 H 1 7.191 0.030 . 1 . . . . 58 PHE HD2 . 11324 1 647 . 1 1 58 58 PHE HE1 H 1 7.020 0.030 . 1 . . . . 58 PHE HE1 . 11324 1 648 . 1 1 58 58 PHE HE2 H 1 7.020 0.030 . 1 . . . . 58 PHE HE2 . 11324 1 649 . 1 1 58 58 PHE HZ H 1 6.945 0.030 . 1 . . . . 58 PHE HZ . 11324 1 650 . 1 1 58 58 PHE C C 13 174.605 0.300 . 1 . . . . 58 PHE C . 11324 1 651 . 1 1 58 58 PHE CA C 13 56.731 0.300 . 1 . . . . 58 PHE CA . 11324 1 652 . 1 1 58 58 PHE CB C 13 44.408 0.300 . 1 . . . . 58 PHE CB . 11324 1 653 . 1 1 58 58 PHE CD1 C 13 132.309 0.300 . 1 . . . . 58 PHE CD1 . 11324 1 654 . 1 1 58 58 PHE CD2 C 13 132.309 0.300 . 1 . . . . 58 PHE CD2 . 11324 1 655 . 1 1 58 58 PHE CE1 C 13 130.735 0.300 . 1 . . . . 58 PHE CE1 . 11324 1 656 . 1 1 58 58 PHE CE2 C 13 130.735 0.300 . 1 . . . . 58 PHE CE2 . 11324 1 657 . 1 1 58 58 PHE CZ C 13 129.340 0.300 . 1 . . . . 58 PHE CZ . 11324 1 658 . 1 1 58 58 PHE N N 15 123.547 0.300 . 1 . . . . 58 PHE N . 11324 1 659 . 1 1 59 59 LEU H H 1 9.591 0.030 . 1 . . . . 59 LEU H . 11324 1 660 . 1 1 59 59 LEU HA H 1 5.956 0.030 . 1 . . . . 59 LEU HA . 11324 1 661 . 1 1 59 59 LEU HB2 H 1 1.834 0.030 . 1 . . . . 59 LEU HB2 . 11324 1 662 . 1 1 59 59 LEU HB3 H 1 1.834 0.030 . 1 . . . . 59 LEU HB3 . 11324 1 663 . 1 1 59 59 LEU HD11 H 1 0.547 0.030 . 1 . . . . 59 LEU HD1 . 11324 1 664 . 1 1 59 59 LEU HD12 H 1 0.547 0.030 . 1 . . . . 59 LEU HD1 . 11324 1 665 . 1 1 59 59 LEU HD13 H 1 0.547 0.030 . 1 . . . . 59 LEU HD1 . 11324 1 666 . 1 1 59 59 LEU HD21 H 1 0.896 0.030 . 1 . . . . 59 LEU HD2 . 11324 1 667 . 1 1 59 59 LEU HD22 H 1 0.896 0.030 . 1 . . . . 59 LEU HD2 . 11324 1 668 . 1 1 59 59 LEU HD23 H 1 0.896 0.030 . 1 . . . . 59 LEU HD2 . 11324 1 669 . 1 1 59 59 LEU HG H 1 1.966 0.030 . 1 . . . . 59 LEU HG . 11324 1 670 . 1 1 59 59 LEU C C 13 177.129 0.300 . 1 . . . . 59 LEU C . 11324 1 671 . 1 1 59 59 LEU CA C 13 53.225 0.300 . 1 . . . . 59 LEU CA . 11324 1 672 . 1 1 59 59 LEU CB C 13 46.549 0.300 . 1 . . . . 59 LEU CB . 11324 1 673 . 1 1 59 59 LEU CD1 C 13 27.372 0.300 . 2 . . . . 59 LEU CD1 . 11324 1 674 . 1 1 59 59 LEU CD2 C 13 26.111 0.300 . 2 . . . . 59 LEU CD2 . 11324 1 675 . 1 1 59 59 LEU CG C 13 27.262 0.300 . 1 . . . . 59 LEU CG . 11324 1 676 . 1 1 59 59 LEU N N 15 119.333 0.300 . 1 . . . . 59 LEU N . 11324 1 677 . 1 1 60 60 CYS H H 1 10.340 0.030 . 1 . . . . 60 CYS H . 11324 1 678 . 1 1 60 60 CYS HA H 1 5.384 0.030 . 1 . . . . 60 CYS HA . 11324 1 679 . 1 1 60 60 CYS HB2 H 1 2.717 0.030 . 2 . . . . 60 CYS HB2 . 11324 1 680 . 1 1 60 60 CYS HB3 H 1 3.025 0.030 . 2 . . . . 60 CYS HB3 . 11324 1 681 . 1 1 60 60 CYS C C 13 176.014 0.300 . 1 . . . . 60 CYS C . 11324 1 682 . 1 1 60 60 CYS CA C 13 58.461 0.300 . 1 . . . . 60 CYS CA . 11324 1 683 . 1 1 60 60 CYS CB C 13 31.554 0.300 . 1 . . . . 60 CYS CB . 11324 1 684 . 1 1 60 60 CYS N N 15 127.600 0.300 . 1 . . . . 60 CYS N . 11324 1 685 . 1 1 61 61 SER H H 1 8.493 0.030 . 1 . . . . 61 SER H . 11324 1 686 . 1 1 61 61 SER HA H 1 4.365 0.030 . 1 . . . . 61 SER HA . 11324 1 687 . 1 1 61 61 SER HB2 H 1 4.500 0.030 . 2 . . . . 61 SER HB2 . 11324 1 688 . 1 1 61 61 SER HB3 H 1 4.198 0.030 . 2 . . . . 61 SER HB3 . 11324 1 689 . 1 1 61 61 SER C C 13 176.375 0.300 . 1 . . . . 61 SER C . 11324 1 690 . 1 1 61 61 SER CA C 13 61.422 0.300 . 1 . . . . 61 SER CA . 11324 1 691 . 1 1 61 61 SER CB C 13 63.044 0.300 . 1 . . . . 61 SER CB . 11324 1 692 . 1 1 61 61 SER N N 15 110.315 0.300 . 1 . . . . 61 SER N . 11324 1 693 . 1 1 62 62 LYS H H 1 8.399 0.030 . 1 . . . . 62 LYS H . 11324 1 694 . 1 1 62 62 LYS HA H 1 3.954 0.030 . 1 . . . . 62 LYS HA . 11324 1 695 . 1 1 62 62 LYS HB2 H 1 1.349 0.030 . 2 . . . . 62 LYS HB2 . 11324 1 696 . 1 1 62 62 LYS HB3 H 1 1.090 0.030 . 2 . . . . 62 LYS HB3 . 11324 1 697 . 1 1 62 62 LYS HD2 H 1 1.421 0.030 . 2 . . . . 62 LYS HD2 . 11324 1 698 . 1 1 62 62 LYS HD3 H 1 1.353 0.030 . 2 . . . . 62 LYS HD3 . 11324 1 699 . 1 1 62 62 LYS HE2 H 1 2.641 0.030 . 2 . . . . 62 LYS HE2 . 11324 1 700 . 1 1 62 62 LYS HE3 H 1 2.767 0.030 . 2 . . . . 62 LYS HE3 . 11324 1 701 . 1 1 62 62 LYS HG2 H 1 1.200 0.030 . 2 . . . . 62 LYS HG2 . 11324 1 702 . 1 1 62 62 LYS HG3 H 1 1.419 0.030 . 2 . . . . 62 LYS HG3 . 11324 1 703 . 1 1 62 62 LYS C C 13 176.773 0.300 . 1 . . . . 62 LYS C . 11324 1 704 . 1 1 62 62 LYS CA C 13 58.706 0.300 . 1 . . . . 62 LYS CA . 11324 1 705 . 1 1 62 62 LYS CB C 13 32.132 0.300 . 1 . . . . 62 LYS CB . 11324 1 706 . 1 1 62 62 LYS CD C 13 29.353 0.300 . 1 . . . . 62 LYS CD . 11324 1 707 . 1 1 62 62 LYS CE C 13 41.613 0.300 . 1 . . . . 62 LYS CE . 11324 1 708 . 1 1 62 62 LYS CG C 13 25.410 0.300 . 1 . . . . 62 LYS CG . 11324 1 709 . 1 1 62 62 LYS N N 15 121.906 0.300 . 1 . . . . 62 LYS N . 11324 1 710 . 1 1 63 63 HIS H H 1 6.535 0.030 . 1 . . . . 63 HIS H . 11324 1 711 . 1 1 63 63 HIS HA H 1 4.846 0.030 . 1 . . . . 63 HIS HA . 11324 1 712 . 1 1 63 63 HIS HB2 H 1 1.872 0.030 . 2 . . . . 63 HIS HB2 . 11324 1 713 . 1 1 63 63 HIS HB3 H 1 2.439 0.030 . 2 . . . . 63 HIS HB3 . 11324 1 714 . 1 1 63 63 HIS HD2 H 1 7.894 0.030 . 1 . . . . 63 HIS HD2 . 11324 1 715 . 1 1 63 63 HIS HE1 H 1 7.902 0.030 . 1 . . . . 63 HIS HE1 . 11324 1 716 . 1 1 63 63 HIS C C 13 172.910 0.300 . 1 . . . . 63 HIS C . 11324 1 717 . 1 1 63 63 HIS CA C 13 54.897 0.300 . 1 . . . . 63 HIS CA . 11324 1 718 . 1 1 63 63 HIS CB C 13 28.439 0.300 . 1 . . . . 63 HIS CB . 11324 1 719 . 1 1 63 63 HIS CD2 C 13 131.604 0.300 . 1 . . . . 63 HIS CD2 . 11324 1 720 . 1 1 63 63 HIS CE1 C 13 139.125 0.300 . 1 . . . . 63 HIS CE1 . 11324 1 721 . 1 1 63 63 HIS N N 15 110.399 0.300 . 1 . . . . 63 HIS N . 11324 1 722 . 1 1 64 64 PHE H H 1 7.410 0.030 . 1 . . . . 64 PHE H . 11324 1 723 . 1 1 64 64 PHE HA H 1 4.826 0.030 . 1 . . . . 64 PHE HA . 11324 1 724 . 1 1 64 64 PHE HB2 H 1 2.672 0.030 . 2 . . . . 64 PHE HB2 . 11324 1 725 . 1 1 64 64 PHE HB3 H 1 2.725 0.030 . 2 . . . . 64 PHE HB3 . 11324 1 726 . 1 1 64 64 PHE HD1 H 1 6.981 0.030 . 1 . . . . 64 PHE HD1 . 11324 1 727 . 1 1 64 64 PHE HD2 H 1 6.981 0.030 . 1 . . . . 64 PHE HD2 . 11324 1 728 . 1 1 64 64 PHE HE1 H 1 6.451 0.030 . 1 . . . . 64 PHE HE1 . 11324 1 729 . 1 1 64 64 PHE HE2 H 1 6.451 0.030 . 1 . . . . 64 PHE HE2 . 11324 1 730 . 1 1 64 64 PHE HZ H 1 5.997 0.030 . 1 . . . . 64 PHE HZ . 11324 1 731 . 1 1 64 64 PHE C C 13 174.969 0.300 . 1 . . . . 64 PHE C . 11324 1 732 . 1 1 64 64 PHE CA C 13 55.990 0.300 . 1 . . . . 64 PHE CA . 11324 1 733 . 1 1 64 64 PHE CB C 13 41.199 0.300 . 1 . . . . 64 PHE CB . 11324 1 734 . 1 1 64 64 PHE CD1 C 13 132.045 0.300 . 1 . . . . 64 PHE CD1 . 11324 1 735 . 1 1 64 64 PHE CD2 C 13 132.045 0.300 . 1 . . . . 64 PHE CD2 . 11324 1 736 . 1 1 64 64 PHE CE1 C 13 130.444 0.300 . 1 . . . . 64 PHE CE1 . 11324 1 737 . 1 1 64 64 PHE CE2 C 13 130.444 0.300 . 1 . . . . 64 PHE CE2 . 11324 1 738 . 1 1 64 64 PHE CZ C 13 129.672 0.300 . 1 . . . . 64 PHE CZ . 11324 1 739 . 1 1 64 64 PHE N N 15 117.873 0.300 . 1 . . . . 64 PHE N . 11324 1 740 . 1 1 65 65 GLU H H 1 8.616 0.030 . 1 . . . . 65 GLU H . 11324 1 741 . 1 1 65 65 GLU HA H 1 4.216 0.030 . 1 . . . . 65 GLU HA . 11324 1 742 . 1 1 65 65 GLU HB2 H 1 1.963 0.030 . 2 . . . . 65 GLU HB2 . 11324 1 743 . 1 1 65 65 GLU HB3 H 1 2.363 0.030 . 2 . . . . 65 GLU HB3 . 11324 1 744 . 1 1 65 65 GLU HG2 H 1 2.260 0.030 . 2 . . . . 65 GLU HG2 . 11324 1 745 . 1 1 65 65 GLU HG3 H 1 2.345 0.030 . 2 . . . . 65 GLU HG3 . 11324 1 746 . 1 1 65 65 GLU C C 13 177.442 0.300 . 1 . . . . 65 GLU C . 11324 1 747 . 1 1 65 65 GLU CA C 13 56.731 0.300 . 1 . . . . 65 GLU CA . 11324 1 748 . 1 1 65 65 GLU CB C 13 30.517 0.300 . 1 . . . . 65 GLU CB . 11324 1 749 . 1 1 65 65 GLU CG C 13 36.290 0.300 . 1 . . . . 65 GLU CG . 11324 1 750 . 1 1 65 65 GLU N N 15 122.713 0.300 . 1 . . . . 65 GLU N . 11324 1 751 . 1 1 66 66 ALA H H 1 8.946 0.030 . 1 . . . . 66 ALA H . 11324 1 752 . 1 1 66 66 ALA HA H 1 4.230 0.030 . 1 . . . . 66 ALA HA . 11324 1 753 . 1 1 66 66 ALA HB1 H 1 1.551 0.030 . 1 . . . . 66 ALA HB . 11324 1 754 . 1 1 66 66 ALA HB2 H 1 1.551 0.030 . 1 . . . . 66 ALA HB . 11324 1 755 . 1 1 66 66 ALA HB3 H 1 1.551 0.030 . 1 . . . . 66 ALA HB . 11324 1 756 . 1 1 66 66 ALA C C 13 180.015 0.300 . 1 . . . . 66 ALA C . 11324 1 757 . 1 1 66 66 ALA CA C 13 55.824 0.300 . 1 . . . . 66 ALA CA . 11324 1 758 . 1 1 66 66 ALA CB C 13 18.271 0.300 . 1 . . . . 66 ALA CB . 11324 1 759 . 1 1 66 66 ALA N N 15 124.163 0.300 . 1 . . . . 66 ALA N . 11324 1 760 . 1 1 67 67 SER H H 1 8.083 0.030 . 1 . . . . 67 SER H . 11324 1 761 . 1 1 67 67 SER HA H 1 4.391 0.030 . 1 . . . . 67 SER HA . 11324 1 762 . 1 1 67 67 SER HB2 H 1 3.944 0.030 . 2 . . . . 67 SER HB2 . 11324 1 763 . 1 1 67 67 SER HB3 H 1 4.119 0.030 . 2 . . . . 67 SER HB3 . 11324 1 764 . 1 1 67 67 SER C C 13 175.282 0.300 . 1 . . . . 67 SER C . 11324 1 765 . 1 1 67 67 SER CA C 13 59.694 0.300 . 1 . . . . 67 SER CA . 11324 1 766 . 1 1 67 67 SER CB C 13 62.464 0.300 . 1 . . . . 67 SER CB . 11324 1 767 . 1 1 67 67 SER N N 15 109.889 0.300 . 1 . . . . 67 SER N . 11324 1 768 . 1 1 68 68 CYS H H 1 8.098 0.030 . 1 . . . . 68 CYS H . 11324 1 769 . 1 1 68 68 CYS HA H 1 4.299 0.030 . 1 . . . . 68 CYS HA . 11324 1 770 . 1 1 68 68 CYS HB2 H 1 2.612 0.030 . 2 . . . . 68 CYS HB2 . 11324 1 771 . 1 1 68 68 CYS HB3 H 1 2.488 0.030 . 2 . . . . 68 CYS HB3 . 11324 1 772 . 1 1 68 68 CYS C C 13 172.603 0.300 . 1 . . . . 68 CYS C . 11324 1 773 . 1 1 68 68 CYS CA C 13 60.829 0.300 . 1 . . . . 68 CYS CA . 11324 1 774 . 1 1 68 68 CYS CB C 13 27.901 0.300 . 1 . . . . 68 CYS CB . 11324 1 775 . 1 1 68 68 CYS N N 15 118.284 0.300 . 1 . . . . 68 CYS N . 11324 1 776 . 1 1 69 69 PHE H H 1 7.482 0.030 . 1 . . . . 69 PHE H . 11324 1 777 . 1 1 69 69 PHE HA H 1 4.941 0.030 . 1 . . . . 69 PHE HA . 11324 1 778 . 1 1 69 69 PHE HB2 H 1 2.710 0.030 . 2 . . . . 69 PHE HB2 . 11324 1 779 . 1 1 69 69 PHE HB3 H 1 2.894 0.030 . 2 . . . . 69 PHE HB3 . 11324 1 780 . 1 1 69 69 PHE HD1 H 1 6.936 0.030 . 1 . . . . 69 PHE HD1 . 11324 1 781 . 1 1 69 69 PHE HD2 H 1 6.936 0.030 . 1 . . . . 69 PHE HD2 . 11324 1 782 . 1 1 69 69 PHE HE1 H 1 6.975 0.030 . 1 . . . . 69 PHE HE1 . 11324 1 783 . 1 1 69 69 PHE HE2 H 1 6.975 0.030 . 1 . . . . 69 PHE HE2 . 11324 1 784 . 1 1 69 69 PHE HZ H 1 6.874 0.030 . 1 . . . . 69 PHE HZ . 11324 1 785 . 1 1 69 69 PHE C C 13 174.805 0.300 . 1 . . . . 69 PHE C . 11324 1 786 . 1 1 69 69 PHE CA C 13 57.019 0.300 . 1 . . . . 69 PHE CA . 11324 1 787 . 1 1 69 69 PHE CB C 13 41.171 0.300 . 1 . . . . 69 PHE CB . 11324 1 788 . 1 1 69 69 PHE CD1 C 13 131.667 0.300 . 1 . . . . 69 PHE CD1 . 11324 1 789 . 1 1 69 69 PHE CD2 C 13 131.667 0.300 . 1 . . . . 69 PHE CD2 . 11324 1 790 . 1 1 69 69 PHE CE1 C 13 132.045 0.300 . 1 . . . . 69 PHE CE1 . 11324 1 791 . 1 1 69 69 PHE CE2 C 13 132.045 0.300 . 1 . . . . 69 PHE CE2 . 11324 1 792 . 1 1 69 69 PHE CZ C 13 129.370 0.300 . 1 . . . . 69 PHE CZ . 11324 1 793 . 1 1 69 69 PHE N N 15 115.091 0.300 . 1 . . . . 69 PHE N . 11324 1 794 . 1 1 70 70 ASP H H 1 9.236 0.030 . 1 . . . . 70 ASP H . 11324 1 795 . 1 1 70 70 ASP HA H 1 4.788 0.030 . 1 . . . . 70 ASP HA . 11324 1 796 . 1 1 70 70 ASP HB2 H 1 2.439 0.030 . 2 . . . . 70 ASP HB2 . 11324 1 797 . 1 1 70 70 ASP HB3 H 1 2.714 0.030 . 2 . . . . 70 ASP HB3 . 11324 1 798 . 1 1 70 70 ASP C C 13 176.284 0.300 . 1 . . . . 70 ASP C . 11324 1 799 . 1 1 70 70 ASP CA C 13 53.263 0.300 . 1 . . . . 70 ASP CA . 11324 1 800 . 1 1 70 70 ASP CB C 13 42.616 0.300 . 1 . . . . 70 ASP CB . 11324 1 801 . 1 1 70 70 ASP N N 15 121.648 0.300 . 1 . . . . 70 ASP N . 11324 1 802 . 1 1 71 71 LEU H H 1 8.913 0.030 . 1 . . . . 71 LEU H . 11324 1 803 . 1 1 71 71 LEU HA H 1 4.783 0.030 . 1 . . . . 71 LEU HA . 11324 1 804 . 1 1 71 71 LEU HB2 H 1 1.622 0.030 . 2 . . . . 71 LEU HB2 . 11324 1 805 . 1 1 71 71 LEU HB3 H 1 1.770 0.030 . 2 . . . . 71 LEU HB3 . 11324 1 806 . 1 1 71 71 LEU HD11 H 1 0.883 0.030 . 1 . . . . 71 LEU HD1 . 11324 1 807 . 1 1 71 71 LEU HD12 H 1 0.883 0.030 . 1 . . . . 71 LEU HD1 . 11324 1 808 . 1 1 71 71 LEU HD13 H 1 0.883 0.030 . 1 . . . . 71 LEU HD1 . 11324 1 809 . 1 1 71 71 LEU HD21 H 1 0.812 0.030 . 1 . . . . 71 LEU HD2 . 11324 1 810 . 1 1 71 71 LEU HD22 H 1 0.812 0.030 . 1 . . . . 71 LEU HD2 . 11324 1 811 . 1 1 71 71 LEU HD23 H 1 0.812 0.030 . 1 . . . . 71 LEU HD2 . 11324 1 812 . 1 1 71 71 LEU HG H 1 1.605 0.030 . 1 . . . . 71 LEU HG . 11324 1 813 . 1 1 71 71 LEU C C 13 177.535 0.300 . 1 . . . . 71 LEU C . 11324 1 814 . 1 1 71 71 LEU CA C 13 54.481 0.300 . 1 . . . . 71 LEU CA . 11324 1 815 . 1 1 71 71 LEU CB C 13 41.915 0.300 . 1 . . . . 71 LEU CB . 11324 1 816 . 1 1 71 71 LEU CD1 C 13 24.967 0.300 . 2 . . . . 71 LEU CD1 . 11324 1 817 . 1 1 71 71 LEU CD2 C 13 23.655 0.300 . 2 . . . . 71 LEU CD2 . 11324 1 818 . 1 1 71 71 LEU CG C 13 27.283 0.300 . 1 . . . . 71 LEU CG . 11324 1 819 . 1 1 71 71 LEU N N 15 126.646 0.300 . 1 . . . . 71 LEU N . 11324 1 820 . 1 1 72 72 THR H H 1 8.411 0.030 . 1 . . . . 72 THR H . 11324 1 821 . 1 1 72 72 THR HA H 1 4.310 0.030 . 1 . . . . 72 THR HA . 11324 1 822 . 1 1 72 72 THR HB H 1 4.197 0.030 . 1 . . . . 72 THR HB . 11324 1 823 . 1 1 72 72 THR HG21 H 1 1.238 0.030 . 1 . . . . 72 THR HG2 . 11324 1 824 . 1 1 72 72 THR HG22 H 1 1.238 0.030 . 1 . . . . 72 THR HG2 . 11324 1 825 . 1 1 72 72 THR HG23 H 1 1.238 0.030 . 1 . . . . 72 THR HG2 . 11324 1 826 . 1 1 72 72 THR C C 13 175.508 0.300 . 1 . . . . 72 THR C . 11324 1 827 . 1 1 72 72 THR CA C 13 62.068 0.300 . 1 . . . . 72 THR CA . 11324 1 828 . 1 1 72 72 THR CB C 13 70.056 0.300 . 1 . . . . 72 THR CB . 11324 1 829 . 1 1 72 72 THR CG2 C 13 21.403 0.300 . 1 . . . . 72 THR CG2 . 11324 1 830 . 1 1 72 72 THR N N 15 115.274 0.300 . 1 . . . . 72 THR N . 11324 1 831 . 1 1 73 73 GLY H H 1 8.667 0.030 . 1 . . . . 73 GLY H . 11324 1 832 . 1 1 73 73 GLY HA2 H 1 4.027 0.030 . 1 . . . . 73 GLY HA2 . 11324 1 833 . 1 1 73 73 GLY HA3 H 1 4.027 0.030 . 1 . . . . 73 GLY HA3 . 11324 1 834 . 1 1 73 73 GLY C C 13 174.265 0.300 . 1 . . . . 73 GLY C . 11324 1 835 . 1 1 73 73 GLY CA C 13 45.524 0.300 . 1 . . . . 73 GLY CA . 11324 1 836 . 1 1 73 73 GLY N N 15 113.328 0.300 . 1 . . . . 73 GLY N . 11324 1 837 . 1 1 74 74 GLN HA H 1 4.214 0.030 . 1 . . . . 74 GLN HA . 11324 1 838 . 1 1 74 74 GLN HB2 H 1 2.047 0.030 . 2 . . . . 74 GLN HB2 . 11324 1 839 . 1 1 74 74 GLN HB3 H 1 2.244 0.030 . 2 . . . . 74 GLN HB3 . 11324 1 840 . 1 1 74 74 GLN HE21 H 1 6.862 0.030 . 2 . . . . 74 GLN HE21 . 11324 1 841 . 1 1 74 74 GLN HE22 H 1 7.570 0.030 . 2 . . . . 74 GLN HE22 . 11324 1 842 . 1 1 74 74 GLN HG2 H 1 2.402 0.030 . 1 . . . . 74 GLN HG2 . 11324 1 843 . 1 1 74 74 GLN HG3 H 1 2.402 0.030 . 1 . . . . 74 GLN HG3 . 11324 1 844 . 1 1 74 74 GLN C C 13 176.154 0.300 . 1 . . . . 74 GLN C . 11324 1 845 . 1 1 74 74 GLN CA C 13 56.911 0.300 . 1 . . . . 74 GLN CA . 11324 1 846 . 1 1 74 74 GLN CB C 13 29.022 0.300 . 1 . . . . 74 GLN CB . 11324 1 847 . 1 1 74 74 GLN CG C 13 34.267 0.300 . 1 . . . . 74 GLN CG . 11324 1 848 . 1 1 74 74 GLN NE2 N 15 112.582 0.300 . 1 . . . . 74 GLN NE2 . 11324 1 849 . 1 1 75 75 THR H H 1 7.810 0.030 . 1 . . . . 75 THR H . 11324 1 850 . 1 1 75 75 THR HA H 1 4.484 0.030 . 1 . . . . 75 THR HA . 11324 1 851 . 1 1 75 75 THR HB H 1 4.165 0.030 . 1 . . . . 75 THR HB . 11324 1 852 . 1 1 75 75 THR HG21 H 1 1.203 0.030 . 1 . . . . 75 THR HG2 . 11324 1 853 . 1 1 75 75 THR HG22 H 1 1.203 0.030 . 1 . . . . 75 THR HG2 . 11324 1 854 . 1 1 75 75 THR HG23 H 1 1.203 0.030 . 1 . . . . 75 THR HG2 . 11324 1 855 . 1 1 75 75 THR C C 13 173.233 0.300 . 1 . . . . 75 THR C . 11324 1 856 . 1 1 75 75 THR CA C 13 60.683 0.300 . 1 . . . . 75 THR CA . 11324 1 857 . 1 1 75 75 THR CB C 13 70.769 0.300 . 1 . . . . 75 THR CB . 11324 1 858 . 1 1 75 75 THR CG2 C 13 21.418 0.300 . 1 . . . . 75 THR CG2 . 11324 1 859 . 1 1 75 75 THR N N 15 112.540 0.300 . 1 . . . . 75 THR N . 11324 1 860 . 1 1 76 76 ARG H H 1 8.598 0.030 . 1 . . . . 76 ARG H . 11324 1 861 . 1 1 76 76 ARG HA H 1 4.648 0.030 . 1 . . . . 76 ARG HA . 11324 1 862 . 1 1 76 76 ARG HB2 H 1 1.677 0.030 . 1 . . . . 76 ARG HB2 . 11324 1 863 . 1 1 76 76 ARG HB3 H 1 1.677 0.030 . 1 . . . . 76 ARG HB3 . 11324 1 864 . 1 1 76 76 ARG HD2 H 1 2.683 0.030 . 2 . . . . 76 ARG HD2 . 11324 1 865 . 1 1 76 76 ARG HD3 H 1 2.583 0.030 . 2 . . . . 76 ARG HD3 . 11324 1 866 . 1 1 76 76 ARG HG2 H 1 1.427 0.030 . 1 . . . . 76 ARG HG2 . 11324 1 867 . 1 1 76 76 ARG HG3 H 1 1.427 0.030 . 1 . . . . 76 ARG HG3 . 11324 1 868 . 1 1 76 76 ARG C C 13 175.198 0.300 . 1 . . . . 76 ARG C . 11324 1 869 . 1 1 76 76 ARG CA C 13 56.484 0.300 . 1 . . . . 76 ARG CA . 11324 1 870 . 1 1 76 76 ARG CB C 13 31.358 0.300 . 1 . . . . 76 ARG CB . 11324 1 871 . 1 1 76 76 ARG CD C 13 43.296 0.300 . 1 . . . . 76 ARG CD . 11324 1 872 . 1 1 76 76 ARG CG C 13 27.073 0.300 . 1 . . . . 76 ARG CG . 11324 1 873 . 1 1 76 76 ARG N N 15 124.513 0.300 . 1 . . . . 76 ARG N . 11324 1 874 . 1 1 77 77 ARG H H 1 8.482 0.030 . 1 . . . . 77 ARG H . 11324 1 875 . 1 1 77 77 ARG HA H 1 4.916 0.030 . 1 . . . . 77 ARG HA . 11324 1 876 . 1 1 77 77 ARG HB2 H 1 1.819 0.030 . 2 . . . . 77 ARG HB2 . 11324 1 877 . 1 1 77 77 ARG HB3 H 1 1.950 0.030 . 2 . . . . 77 ARG HB3 . 11324 1 878 . 1 1 77 77 ARG HD2 H 1 3.256 0.030 . 1 . . . . 77 ARG HD2 . 11324 1 879 . 1 1 77 77 ARG HD3 H 1 3.256 0.030 . 1 . . . . 77 ARG HD3 . 11324 1 880 . 1 1 77 77 ARG HG2 H 1 1.684 0.030 . 1 . . . . 77 ARG HG2 . 11324 1 881 . 1 1 77 77 ARG HG3 H 1 1.684 0.030 . 1 . . . . 77 ARG HG3 . 11324 1 882 . 1 1 77 77 ARG C C 13 174.962 0.300 . 1 . . . . 77 ARG C . 11324 1 883 . 1 1 77 77 ARG CA C 13 54.428 0.300 . 1 . . . . 77 ARG CA . 11324 1 884 . 1 1 77 77 ARG CB C 13 33.695 0.300 . 1 . . . . 77 ARG CB . 11324 1 885 . 1 1 77 77 ARG CD C 13 43.644 0.300 . 1 . . . . 77 ARG CD . 11324 1 886 . 1 1 77 77 ARG CG C 13 26.936 0.300 . 1 . . . . 77 ARG CG . 11324 1 887 . 1 1 77 77 ARG N N 15 123.581 0.300 . 1 . . . . 77 ARG N . 11324 1 888 . 1 1 78 78 LEU H H 1 8.780 0.030 . 1 . . . . 78 LEU H . 11324 1 889 . 1 1 78 78 LEU HA H 1 3.933 0.030 . 1 . . . . 78 LEU HA . 11324 1 890 . 1 1 78 78 LEU HB2 H 1 0.958 0.030 . 2 . . . . 78 LEU HB2 . 11324 1 891 . 1 1 78 78 LEU HB3 H 1 1.397 0.030 . 2 . . . . 78 LEU HB3 . 11324 1 892 . 1 1 78 78 LEU HD11 H 1 -0.335 0.030 . 1 . . . . 78 LEU HD1 . 11324 1 893 . 1 1 78 78 LEU HD12 H 1 -0.335 0.030 . 1 . . . . 78 LEU HD1 . 11324 1 894 . 1 1 78 78 LEU HD13 H 1 -0.335 0.030 . 1 . . . . 78 LEU HD1 . 11324 1 895 . 1 1 78 78 LEU HD21 H 1 -0.510 0.030 . 1 . . . . 78 LEU HD2 . 11324 1 896 . 1 1 78 78 LEU HD22 H 1 -0.510 0.030 . 1 . . . . 78 LEU HD2 . 11324 1 897 . 1 1 78 78 LEU HD23 H 1 -0.510 0.030 . 1 . . . . 78 LEU HD2 . 11324 1 898 . 1 1 78 78 LEU HG H 1 0.992 0.030 . 1 . . . . 78 LEU HG . 11324 1 899 . 1 1 78 78 LEU C C 13 177.788 0.300 . 1 . . . . 78 LEU C . 11324 1 900 . 1 1 78 78 LEU CA C 13 54.819 0.300 . 1 . . . . 78 LEU CA . 11324 1 901 . 1 1 78 78 LEU CB C 13 42.717 0.300 . 1 . . . . 78 LEU CB . 11324 1 902 . 1 1 78 78 LEU CD1 C 13 24.257 0.300 . 2 . . . . 78 LEU CD1 . 11324 1 903 . 1 1 78 78 LEU CD2 C 13 24.288 0.300 . 2 . . . . 78 LEU CD2 . 11324 1 904 . 1 1 78 78 LEU CG C 13 25.371 0.300 . 1 . . . . 78 LEU CG . 11324 1 905 . 1 1 78 78 LEU N N 15 126.104 0.300 . 1 . . . . 78 LEU N . 11324 1 906 . 1 1 79 79 LYS H H 1 8.585 0.030 . 1 . . . . 79 LYS H . 11324 1 907 . 1 1 79 79 LYS HA H 1 4.149 0.030 . 1 . . . . 79 LYS HA . 11324 1 908 . 1 1 79 79 LYS HB2 H 1 1.585 0.030 . 2 . . . . 79 LYS HB2 . 11324 1 909 . 1 1 79 79 LYS HB3 H 1 2.020 0.030 . 2 . . . . 79 LYS HB3 . 11324 1 910 . 1 1 79 79 LYS HD2 H 1 1.647 0.030 . 2 . . . . 79 LYS HD2 . 11324 1 911 . 1 1 79 79 LYS HD3 H 1 1.693 0.030 . 2 . . . . 79 LYS HD3 . 11324 1 912 . 1 1 79 79 LYS HE2 H 1 2.819 0.030 . 2 . . . . 79 LYS HE2 . 11324 1 913 . 1 1 79 79 LYS HE3 H 1 2.926 0.030 . 2 . . . . 79 LYS HE3 . 11324 1 914 . 1 1 79 79 LYS HG2 H 1 1.206 0.030 . 2 . . . . 79 LYS HG2 . 11324 1 915 . 1 1 79 79 LYS HG3 H 1 1.438 0.030 . 2 . . . . 79 LYS HG3 . 11324 1 916 . 1 1 79 79 LYS C C 13 178.419 0.300 . 1 . . . . 79 LYS C . 11324 1 917 . 1 1 79 79 LYS CA C 13 57.718 0.300 . 1 . . . . 79 LYS CA . 11324 1 918 . 1 1 79 79 LYS CB C 13 34.055 0.300 . 1 . . . . 79 LYS CB . 11324 1 919 . 1 1 79 79 LYS CD C 13 29.584 0.300 . 1 . . . . 79 LYS CD . 11324 1 920 . 1 1 79 79 LYS CE C 13 42.308 0.300 . 1 . . . . 79 LYS CE . 11324 1 921 . 1 1 79 79 LYS CG C 13 27.116 0.300 . 1 . . . . 79 LYS CG . 11324 1 922 . 1 1 79 79 LYS N N 15 125.832 0.300 . 1 . . . . 79 LYS N . 11324 1 923 . 1 1 80 80 MET H H 1 8.739 0.030 . 1 . . . . 80 MET H . 11324 1 924 . 1 1 80 80 MET HA H 1 4.254 0.030 . 1 . . . . 80 MET HA . 11324 1 925 . 1 1 80 80 MET HB2 H 1 2.126 0.030 . 1 . . . . 80 MET HB2 . 11324 1 926 . 1 1 80 80 MET HB3 H 1 2.126 0.030 . 1 . . . . 80 MET HB3 . 11324 1 927 . 1 1 80 80 MET HE1 H 1 2.142 0.030 . 1 . . . . 80 MET HE . 11324 1 928 . 1 1 80 80 MET HE2 H 1 2.142 0.030 . 1 . . . . 80 MET HE . 11324 1 929 . 1 1 80 80 MET HE3 H 1 2.142 0.030 . 1 . . . . 80 MET HE . 11324 1 930 . 1 1 80 80 MET HG2 H 1 2.708 0.030 . 2 . . . . 80 MET HG2 . 11324 1 931 . 1 1 80 80 MET HG3 H 1 2.654 0.030 . 2 . . . . 80 MET HG3 . 11324 1 932 . 1 1 80 80 MET C C 13 176.119 0.300 . 1 . . . . 80 MET C . 11324 1 933 . 1 1 80 80 MET CA C 13 57.527 0.300 . 1 . . . . 80 MET CA . 11324 1 934 . 1 1 80 80 MET CB C 13 32.077 0.300 . 1 . . . . 80 MET CB . 11324 1 935 . 1 1 80 80 MET CE C 13 17.018 0.300 . 1 . . . . 80 MET CE . 11324 1 936 . 1 1 80 80 MET CG C 13 32.049 0.300 . 1 . . . . 80 MET CG . 11324 1 937 . 1 1 80 80 MET N N 15 119.350 0.300 . 1 . . . . 80 MET N . 11324 1 938 . 1 1 81 81 ASP H H 1 8.169 0.030 . 1 . . . . 81 ASP H . 11324 1 939 . 1 1 81 81 ASP HA H 1 4.630 0.030 . 1 . . . . 81 ASP HA . 11324 1 940 . 1 1 81 81 ASP HB2 H 1 2.574 0.030 . 2 . . . . 81 ASP HB2 . 11324 1 941 . 1 1 81 81 ASP HB3 H 1 2.916 0.030 . 2 . . . . 81 ASP HB3 . 11324 1 942 . 1 1 81 81 ASP C C 13 176.174 0.300 . 1 . . . . 81 ASP C . 11324 1 943 . 1 1 81 81 ASP CA C 13 52.213 0.300 . 1 . . . . 81 ASP CA . 11324 1 944 . 1 1 81 81 ASP CB C 13 39.857 0.300 . 1 . . . . 81 ASP CB . 11324 1 945 . 1 1 81 81 ASP N N 15 114.867 0.300 . 1 . . . . 81 ASP N . 11324 1 946 . 1 1 82 82 ALA H H 1 7.290 0.030 . 1 . . . . 82 ALA H . 11324 1 947 . 1 1 82 82 ALA HA H 1 4.370 0.030 . 1 . . . . 82 ALA HA . 11324 1 948 . 1 1 82 82 ALA HB1 H 1 1.420 0.030 . 1 . . . . 82 ALA HB . 11324 1 949 . 1 1 82 82 ALA HB2 H 1 1.420 0.030 . 1 . . . . 82 ALA HB . 11324 1 950 . 1 1 82 82 ALA HB3 H 1 1.420 0.030 . 1 . . . . 82 ALA HB . 11324 1 951 . 1 1 82 82 ALA C C 13 178.387 0.300 . 1 . . . . 82 ALA C . 11324 1 952 . 1 1 82 82 ALA CA C 13 53.721 0.300 . 1 . . . . 82 ALA CA . 11324 1 953 . 1 1 82 82 ALA CB C 13 21.497 0.300 . 1 . . . . 82 ALA CB . 11324 1 954 . 1 1 82 82 ALA N N 15 121.792 0.300 . 1 . . . . 82 ALA N . 11324 1 955 . 1 1 83 83 VAL H H 1 8.102 0.030 . 1 . . . . 83 VAL H . 11324 1 956 . 1 1 83 83 VAL HA H 1 4.560 0.030 . 1 . . . . 83 VAL HA . 11324 1 957 . 1 1 83 83 VAL HB H 1 1.935 0.030 . 1 . . . . 83 VAL HB . 11324 1 958 . 1 1 83 83 VAL HG11 H 1 1.056 0.030 . 1 . . . . 83 VAL HG1 . 11324 1 959 . 1 1 83 83 VAL HG12 H 1 1.056 0.030 . 1 . . . . 83 VAL HG1 . 11324 1 960 . 1 1 83 83 VAL HG13 H 1 1.056 0.030 . 1 . . . . 83 VAL HG1 . 11324 1 961 . 1 1 83 83 VAL HG21 H 1 0.938 0.030 . 1 . . . . 83 VAL HG2 . 11324 1 962 . 1 1 83 83 VAL HG22 H 1 0.938 0.030 . 1 . . . . 83 VAL HG2 . 11324 1 963 . 1 1 83 83 VAL HG23 H 1 0.938 0.030 . 1 . . . . 83 VAL HG2 . 11324 1 964 . 1 1 83 83 VAL C C 13 171.799 0.300 . 1 . . . . 83 VAL C . 11324 1 965 . 1 1 83 83 VAL CA C 13 58.104 0.300 . 1 . . . . 83 VAL CA . 11324 1 966 . 1 1 83 83 VAL CB C 13 34.691 0.300 . 1 . . . . 83 VAL CB . 11324 1 967 . 1 1 83 83 VAL CG1 C 13 21.930 0.300 . 2 . . . . 83 VAL CG1 . 11324 1 968 . 1 1 83 83 VAL CG2 C 13 19.371 0.300 . 2 . . . . 83 VAL CG2 . 11324 1 969 . 1 1 83 83 VAL N N 15 117.257 0.300 . 1 . . . . 83 VAL N . 11324 1 970 . 1 1 84 84 PRO HA H 1 3.355 0.030 . 1 . . . . 84 PRO HA . 11324 1 971 . 1 1 84 84 PRO HB2 H 1 1.094 0.030 . 2 . . . . 84 PRO HB2 . 11324 1 972 . 1 1 84 84 PRO HB3 H 1 -0.033 0.030 . 2 . . . . 84 PRO HB3 . 11324 1 973 . 1 1 84 84 PRO HD2 H 1 1.575 0.030 . 2 . . . . 84 PRO HD2 . 11324 1 974 . 1 1 84 84 PRO HD3 H 1 2.912 0.030 . 2 . . . . 84 PRO HD3 . 11324 1 975 . 1 1 84 84 PRO HG2 H 1 0.739 0.030 . 2 . . . . 84 PRO HG2 . 11324 1 976 . 1 1 84 84 PRO HG3 H 1 1.841 0.030 . 2 . . . . 84 PRO HG3 . 11324 1 977 . 1 1 84 84 PRO C C 13 174.485 0.300 . 1 . . . . 84 PRO C . 11324 1 978 . 1 1 84 84 PRO CA C 13 61.908 0.300 . 1 . . . . 84 PRO CA . 11324 1 979 . 1 1 84 84 PRO CB C 13 30.927 0.300 . 1 . . . . 84 PRO CB . 11324 1 980 . 1 1 84 84 PRO CD C 13 48.014 0.300 . 1 . . . . 84 PRO CD . 11324 1 981 . 1 1 84 84 PRO CG C 13 25.624 0.300 . 1 . . . . 84 PRO CG . 11324 1 982 . 1 1 85 85 THR H H 1 7.331 0.030 . 1 . . . . 85 THR H . 11324 1 983 . 1 1 85 85 THR HA H 1 4.609 0.030 . 1 . . . . 85 THR HA . 11324 1 984 . 1 1 85 85 THR HB H 1 4.356 0.030 . 1 . . . . 85 THR HB . 11324 1 985 . 1 1 85 85 THR HG21 H 1 1.055 0.030 . 1 . . . . 85 THR HG2 . 11324 1 986 . 1 1 85 85 THR HG22 H 1 1.055 0.030 . 1 . . . . 85 THR HG2 . 11324 1 987 . 1 1 85 85 THR HG23 H 1 1.055 0.030 . 1 . . . . 85 THR HG2 . 11324 1 988 . 1 1 85 85 THR C C 13 174.682 0.300 . 1 . . . . 85 THR C . 11324 1 989 . 1 1 85 85 THR CA C 13 60.803 0.300 . 1 . . . . 85 THR CA . 11324 1 990 . 1 1 85 85 THR CB C 13 71.280 0.300 . 1 . . . . 85 THR CB . 11324 1 991 . 1 1 85 85 THR CG2 C 13 22.544 0.300 . 1 . . . . 85 THR CG2 . 11324 1 992 . 1 1 85 85 THR N N 15 106.584 0.300 . 1 . . . . 85 THR N . 11324 1 993 . 1 1 86 86 ILE H H 1 7.813 0.030 . 1 . . . . 86 ILE H . 11324 1 994 . 1 1 86 86 ILE HA H 1 4.139 0.030 . 1 . . . . 86 ILE HA . 11324 1 995 . 1 1 86 86 ILE HB H 1 1.596 0.030 . 1 . . . . 86 ILE HB . 11324 1 996 . 1 1 86 86 ILE HD11 H 1 0.572 0.030 . 1 . . . . 86 ILE HD1 . 11324 1 997 . 1 1 86 86 ILE HD12 H 1 0.572 0.030 . 1 . . . . 86 ILE HD1 . 11324 1 998 . 1 1 86 86 ILE HD13 H 1 0.572 0.030 . 1 . . . . 86 ILE HD1 . 11324 1 999 . 1 1 86 86 ILE HG12 H 1 1.311 0.030 . 2 . . . . 86 ILE HG12 . 11324 1 1000 . 1 1 86 86 ILE HG13 H 1 0.738 0.030 . 2 . . . . 86 ILE HG13 . 11324 1 1001 . 1 1 86 86 ILE HG21 H 1 0.732 0.030 . 1 . . . . 86 ILE HG2 . 11324 1 1002 . 1 1 86 86 ILE HG22 H 1 0.732 0.030 . 1 . . . . 86 ILE HG2 . 11324 1 1003 . 1 1 86 86 ILE HG23 H 1 0.732 0.030 . 1 . . . . 86 ILE HG2 . 11324 1 1004 . 1 1 86 86 ILE C C 13 174.207 0.300 . 1 . . . . 86 ILE C . 11324 1 1005 . 1 1 86 86 ILE CA C 13 61.669 0.300 . 1 . . . . 86 ILE CA . 11324 1 1006 . 1 1 86 86 ILE CB C 13 38.211 0.300 . 1 . . . . 86 ILE CB . 11324 1 1007 . 1 1 86 86 ILE CD1 C 13 13.348 0.300 . 1 . . . . 86 ILE CD1 . 11324 1 1008 . 1 1 86 86 ILE CG1 C 13 26.597 0.300 . 1 . . . . 86 ILE CG1 . 11324 1 1009 . 1 1 86 86 ILE CG2 C 13 17.963 0.300 . 1 . . . . 86 ILE CG2 . 11324 1 1010 . 1 1 86 86 ILE N N 15 125.522 0.300 . 1 . . . . 86 ILE N . 11324 1 1011 . 1 1 87 87 PHE H H 1 8.498 0.030 . 1 . . . . 87 PHE H . 11324 1 1012 . 1 1 87 87 PHE HA H 1 4.600 0.030 . 1 . . . . 87 PHE HA . 11324 1 1013 . 1 1 87 87 PHE HB2 H 1 3.007 0.030 . 2 . . . . 87 PHE HB2 . 11324 1 1014 . 1 1 87 87 PHE HB3 H 1 2.452 0.030 . 2 . . . . 87 PHE HB3 . 11324 1 1015 . 1 1 87 87 PHE HD1 H 1 7.012 0.030 . 1 . . . . 87 PHE HD1 . 11324 1 1016 . 1 1 87 87 PHE HD2 H 1 7.012 0.030 . 1 . . . . 87 PHE HD2 . 11324 1 1017 . 1 1 87 87 PHE HE1 H 1 6.721 0.030 . 1 . . . . 87 PHE HE1 . 11324 1 1018 . 1 1 87 87 PHE HE2 H 1 6.721 0.030 . 1 . . . . 87 PHE HE2 . 11324 1 1019 . 1 1 87 87 PHE HZ H 1 6.541 0.030 . 1 . . . . 87 PHE HZ . 11324 1 1020 . 1 1 87 87 PHE C C 13 174.891 0.300 . 1 . . . . 87 PHE C . 11324 1 1021 . 1 1 87 87 PHE CA C 13 56.898 0.300 . 1 . . . . 87 PHE CA . 11324 1 1022 . 1 1 87 87 PHE CB C 13 41.836 0.300 . 1 . . . . 87 PHE CB . 11324 1 1023 . 1 1 87 87 PHE CD1 C 13 132.302 0.300 . 1 . . . . 87 PHE CD1 . 11324 1 1024 . 1 1 87 87 PHE CD2 C 13 132.302 0.300 . 1 . . . . 87 PHE CD2 . 11324 1 1025 . 1 1 87 87 PHE CE1 C 13 130.209 0.300 . 1 . . . . 87 PHE CE1 . 11324 1 1026 . 1 1 87 87 PHE CE2 C 13 130.209 0.300 . 1 . . . . 87 PHE CE2 . 11324 1 1027 . 1 1 87 87 PHE CZ C 13 128.203 0.300 . 1 . . . . 87 PHE CZ . 11324 1 1028 . 1 1 87 87 PHE N N 15 124.334 0.300 . 1 . . . . 87 PHE N . 11324 1 1029 . 1 1 88 88 ASP H H 1 8.518 0.030 . 1 . . . . 88 ASP H . 11324 1 1030 . 1 1 88 88 ASP HA H 1 4.530 0.030 . 1 . . . . 88 ASP HA . 11324 1 1031 . 1 1 88 88 ASP HB2 H 1 2.569 0.030 . 2 . . . . 88 ASP HB2 . 11324 1 1032 . 1 1 88 88 ASP HB3 H 1 2.691 0.030 . 2 . . . . 88 ASP HB3 . 11324 1 1033 . 1 1 88 88 ASP C C 13 175.830 0.300 . 1 . . . . 88 ASP C . 11324 1 1034 . 1 1 88 88 ASP CA C 13 54.857 0.300 . 1 . . . . 88 ASP CA . 11324 1 1035 . 1 1 88 88 ASP CB C 13 41.174 0.300 . 1 . . . . 88 ASP CB . 11324 1 1036 . 1 1 88 88 ASP N N 15 121.587 0.300 . 1 . . . . 88 ASP N . 11324 1 1037 . 1 1 89 89 PHE H H 1 7.972 0.030 . 1 . . . . 89 PHE H . 11324 1 1038 . 1 1 89 89 PHE HA H 1 4.668 0.030 . 1 . . . . 89 PHE HA . 11324 1 1039 . 1 1 89 89 PHE HB2 H 1 3.100 0.030 . 2 . . . . 89 PHE HB2 . 11324 1 1040 . 1 1 89 89 PHE HB3 H 1 3.140 0.030 . 2 . . . . 89 PHE HB3 . 11324 1 1041 . 1 1 89 89 PHE HD1 H 1 7.190 0.030 . 1 . . . . 89 PHE HD1 . 11324 1 1042 . 1 1 89 89 PHE HD2 H 1 7.190 0.030 . 1 . . . . 89 PHE HD2 . 11324 1 1043 . 1 1 89 89 PHE HE1 H 1 7.198 0.030 . 1 . . . . 89 PHE HE1 . 11324 1 1044 . 1 1 89 89 PHE HE2 H 1 7.198 0.030 . 1 . . . . 89 PHE HE2 . 11324 1 1045 . 1 1 89 89 PHE HZ H 1 6.809 0.030 . 1 . . . . 89 PHE HZ . 11324 1 1046 . 1 1 89 89 PHE C C 13 175.708 0.300 . 1 . . . . 89 PHE C . 11324 1 1047 . 1 1 89 89 PHE CA C 13 57.003 0.300 . 1 . . . . 89 PHE CA . 11324 1 1048 . 1 1 89 89 PHE CB C 13 38.961 0.300 . 1 . . . . 89 PHE CB . 11324 1 1049 . 1 1 89 89 PHE CD1 C 13 132.191 0.300 . 1 . . . . 89 PHE CD1 . 11324 1 1050 . 1 1 89 89 PHE CD2 C 13 132.191 0.300 . 1 . . . . 89 PHE CD2 . 11324 1 1051 . 1 1 89 89 PHE CE1 C 13 131.552 0.300 . 1 . . . . 89 PHE CE1 . 11324 1 1052 . 1 1 89 89 PHE CE2 C 13 131.552 0.300 . 1 . . . . 89 PHE CE2 . 11324 1 1053 . 1 1 89 89 PHE CZ C 13 130.174 0.300 . 1 . . . . 89 PHE CZ . 11324 1 1054 . 1 1 89 89 PHE N N 15 118.784 0.300 . 1 . . . . 89 PHE N . 11324 1 1055 . 1 1 90 90 CYS H H 1 8.044 0.030 . 1 . . . . 90 CYS H . 11324 1 1056 . 1 1 90 90 CYS HA H 1 4.524 0.030 . 1 . . . . 90 CYS HA . 11324 1 1057 . 1 1 90 90 CYS HB2 H 1 2.969 0.030 . 1 . . . . 90 CYS HB2 . 11324 1 1058 . 1 1 90 90 CYS HB3 H 1 2.969 0.030 . 1 . . . . 90 CYS HB3 . 11324 1 1059 . 1 1 90 90 CYS C C 13 174.645 0.300 . 1 . . . . 90 CYS C . 11324 1 1060 . 1 1 90 90 CYS CA C 13 58.953 0.300 . 1 . . . . 90 CYS CA . 11324 1 1061 . 1 1 90 90 CYS CB C 13 28.110 0.300 . 1 . . . . 90 CYS CB . 11324 1 1062 . 1 1 90 90 CYS N N 15 120.706 0.300 . 1 . . . . 90 CYS N . 11324 1 1063 . 1 1 91 91 THR HA H 1 4.294 0.030 . 1 . . . . 91 THR HA . 11324 1 1064 . 1 1 91 91 THR HB H 1 4.203 0.030 . 1 . . . . 91 THR HB . 11324 1 1065 . 1 1 91 91 THR HG21 H 1 1.187 0.030 . 1 . . . . 91 THR HG2 . 11324 1 1066 . 1 1 91 91 THR HG22 H 1 1.187 0.030 . 1 . . . . 91 THR HG2 . 11324 1 1067 . 1 1 91 91 THR HG23 H 1 1.187 0.030 . 1 . . . . 91 THR HG2 . 11324 1 1068 . 1 1 91 91 THR CA C 13 62.163 0.300 . 1 . . . . 91 THR CA . 11324 1 1069 . 1 1 91 91 THR CB C 13 69.605 0.300 . 1 . . . . 91 THR CB . 11324 1 1070 . 1 1 91 91 THR CG2 C 13 21.472 0.300 . 1 . . . . 91 THR CG2 . 11324 1 1071 . 1 1 92 92 HIS HA H 1 4.638 0.030 . 1 . . . . 92 HIS HA . 11324 1 1072 . 1 1 92 92 HIS HB2 H 1 3.035 0.030 . 2 . . . . 92 HIS HB2 . 11324 1 1073 . 1 1 92 92 HIS HB3 H 1 3.197 0.030 . 2 . . . . 92 HIS HB3 . 11324 1 1074 . 1 1 92 92 HIS HD2 H 1 7.029 0.030 . 1 . . . . 92 HIS HD2 . 11324 1 1075 . 1 1 92 92 HIS C C 13 175.121 0.300 . 1 . . . . 92 HIS C . 11324 1 1076 . 1 1 92 92 HIS CA C 13 56.409 0.300 . 1 . . . . 92 HIS CA . 11324 1 1077 . 1 1 92 92 HIS CB C 13 30.769 0.300 . 1 . . . . 92 HIS CB . 11324 1 1078 . 1 1 92 92 HIS CD2 C 13 130.855 0.300 . 1 . . . . 92 HIS CD2 . 11324 1 1079 . 1 1 93 93 ILE H H 1 8.049 0.030 . 1 . . . . 93 ILE H . 11324 1 1080 . 1 1 93 93 ILE HA H 1 4.184 0.030 . 1 . . . . 93 ILE HA . 11324 1 1081 . 1 1 93 93 ILE HB H 1 1.835 0.030 . 1 . . . . 93 ILE HB . 11324 1 1082 . 1 1 93 93 ILE HD11 H 1 0.868 0.030 . 1 . . . . 93 ILE HD1 . 11324 1 1083 . 1 1 93 93 ILE HD12 H 1 0.868 0.030 . 1 . . . . 93 ILE HD1 . 11324 1 1084 . 1 1 93 93 ILE HD13 H 1 0.868 0.030 . 1 . . . . 93 ILE HD1 . 11324 1 1085 . 1 1 93 93 ILE HG12 H 1 1.115 0.030 . 2 . . . . 93 ILE HG12 . 11324 1 1086 . 1 1 93 93 ILE HG13 H 1 1.394 0.030 . 2 . . . . 93 ILE HG13 . 11324 1 1087 . 1 1 93 93 ILE HG21 H 1 0.868 0.030 . 1 . . . . 93 ILE HG2 . 11324 1 1088 . 1 1 93 93 ILE HG22 H 1 0.868 0.030 . 1 . . . . 93 ILE HG2 . 11324 1 1089 . 1 1 93 93 ILE HG23 H 1 0.868 0.030 . 1 . . . . 93 ILE HG2 . 11324 1 1090 . 1 1 93 93 ILE C C 13 176.003 0.300 . 1 . . . . 93 ILE C . 11324 1 1091 . 1 1 93 93 ILE CA C 13 60.945 0.300 . 1 . . . . 93 ILE CA . 11324 1 1092 . 1 1 93 93 ILE CB C 13 38.682 0.300 . 1 . . . . 93 ILE CB . 11324 1 1093 . 1 1 93 93 ILE CD1 C 13 12.957 0.300 . 1 . . . . 93 ILE CD1 . 11324 1 1094 . 1 1 93 93 ILE CG1 C 13 27.043 0.300 . 1 . . . . 93 ILE CG1 . 11324 1 1095 . 1 1 93 93 ILE CG2 C 13 17.428 0.300 . 1 . . . . 93 ILE CG2 . 11324 1 1096 . 1 1 93 93 ILE N N 15 122.820 0.300 . 1 . . . . 93 ILE N . 11324 1 1097 . 1 1 94 94 SER H H 1 8.391 0.030 . 1 . . . . 94 SER H . 11324 1 1098 . 1 1 94 94 SER HA H 1 4.505 0.030 . 1 . . . . 94 SER HA . 11324 1 1099 . 1 1 94 94 SER HB2 H 1 3.850 0.030 . 1 . . . . 94 SER HB2 . 11324 1 1100 . 1 1 94 94 SER HB3 H 1 3.850 0.030 . 1 . . . . 94 SER HB3 . 11324 1 1101 . 1 1 94 94 SER C C 13 174.436 0.300 . 1 . . . . 94 SER C . 11324 1 1102 . 1 1 94 94 SER CA C 13 58.221 0.300 . 1 . . . . 94 SER CA . 11324 1 1103 . 1 1 94 94 SER CB C 13 63.907 0.300 . 1 . . . . 94 SER CB . 11324 1 1104 . 1 1 94 94 SER N N 15 120.005 0.300 . 1 . . . . 94 SER N . 11324 1 1105 . 1 1 95 95 GLY H H 1 8.223 0.030 . 1 . . . . 95 GLY H . 11324 1 1106 . 1 1 95 95 GLY HA2 H 1 4.082 0.030 . 2 . . . . 95 GLY HA2 . 11324 1 1107 . 1 1 95 95 GLY HA3 H 1 4.160 0.030 . 2 . . . . 95 GLY HA3 . 11324 1 1108 . 1 1 95 95 GLY C C 13 171.690 0.300 . 1 . . . . 95 GLY C . 11324 1 1109 . 1 1 95 95 GLY CA C 13 44.677 0.300 . 1 . . . . 95 GLY CA . 11324 1 1110 . 1 1 95 95 GLY N N 15 110.825 0.300 . 1 . . . . 95 GLY N . 11324 1 1111 . 1 1 96 96 PRO HA H 1 4.471 0.030 . 1 . . . . 96 PRO HA . 11324 1 1112 . 1 1 96 96 PRO HB2 H 1 1.981 0.030 . 1 . . . . 96 PRO HB2 . 11324 1 1113 . 1 1 96 96 PRO HB3 H 1 1.981 0.030 . 1 . . . . 96 PRO HB3 . 11324 1 1114 . 1 1 96 96 PRO HD2 H 1 3.629 0.030 . 1 . . . . 96 PRO HD2 . 11324 1 1115 . 1 1 96 96 PRO HD3 H 1 3.629 0.030 . 1 . . . . 96 PRO HD3 . 11324 1 1116 . 1 1 96 96 PRO HG2 H 1 2.016 0.030 . 1 . . . . 96 PRO HG2 . 11324 1 1117 . 1 1 96 96 PRO HG3 H 1 2.016 0.030 . 1 . . . . 96 PRO HG3 . 11324 1 1118 . 1 1 96 96 PRO CA C 13 63.236 0.300 . 1 . . . . 96 PRO CA . 11324 1 1119 . 1 1 96 96 PRO CB C 13 32.198 0.300 . 1 . . . . 96 PRO CB . 11324 1 1120 . 1 1 96 96 PRO CD C 13 49.786 0.300 . 1 . . . . 96 PRO CD . 11324 1 1121 . 1 1 96 96 PRO CG C 13 27.072 0.300 . 1 . . . . 96 PRO CG . 11324 1 stop_ save_