data_10013 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10013 _Entry.Title ; Solution Structure Of The Ring Finger Domain Of The Human Kiaa1045 Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-11-20 _Entry.Accession_date 2005-11-20 _Entry.Last_release_date 2006-12-06 _Entry.Original_release_date 2006-12-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 . . . 10013 2 N. Tochio . . . 10013 3 S. Koshiba . . . 10013 4 M. Inoue . . . 10013 5 T. Kigawa . . . 10013 6 S. Yokoyama . . . 10013 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10013 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 340 10013 '15N chemical shifts' 76 10013 '1H chemical shifts' 519 10013 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 . . 2006-12-06 2005-11-20 original author . 10013 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WIL 'BMRB Entry Tracking System' 10013 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10013 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of the RING Finger Domain of the Human KIAA1045 Protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'not known' _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 . . . 10013 1 2 N. Tochio . . . 10013 1 3 S. Koshiba . . . 10013 1 4 M. Inoue . . . 10013 1 5 T. Kigawa . . . 10013 1 6 S. Yokoyama . . . 10013 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'KIAA1045 protein' 10013 1 'RING finger domain' 10013 1 'Structural Genomics' 10013 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10013 _Assembly.ID 1 _Assembly.Name 'ring finger domain of KIAA1045 protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 2 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all other bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'RING Finger Domain' 1 $RING_Finger_Domain . . yes native no no . . . 10013 1 2 'ZINC (II) ION, 1' 2 $ZN . . yes native no no diamagnetic 'structural zinc' . 10013 1 3 'ZINC (II) ION, 2' 2 $ZN . . yes native no no diamagnetic 'structural zinc' . 10013 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 SING . 1 . 1 CYS 18 18 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 10013 1 2 coordination SING . 1 . 1 CYS 21 21 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 10013 1 3 coordination SING . 1 . 1 HIS 40 40 ND1 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 10013 1 4 coordination SING . 1 . 1 CYS 43 43 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 10013 1 5 coordination SING . 1 . 1 CYS 32 32 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 10013 1 6 coordination SING . 1 . 1 CYS 35 35 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 10013 1 7 coordination SING . 1 . 1 CYS 70 70 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 10013 1 8 coordination SING . 1 . 1 CYS 73 73 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 10013 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 CYS 70 70 HG . . . . 10013 1 . . 1 1 CYS 73 73 HG . . . . 10013 1 . . 1 1 CYS 32 32 HG . . . . 10013 1 . . 1 1 CYS 35 35 HG . . . . 10013 1 . . 1 1 HIS 40 40 HD1 . . . . 10013 1 . . 1 1 CYS 43 43 HG . . . . 10013 1 . . 1 1 CYS 18 18 HG . . . . 10013 1 . . 1 1 CYS 21 21 HG . . . . 10013 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 1WIL . . . . . . 10013 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RING_Finger_Domain _Entity.Sf_category entity _Entity.Sf_framecode RING_Finger_Domain _Entity.Entry_ID 10013 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RING Finger Domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGPREPVVNDEMCDV CEVWTAESLFPCRVCTRVFH DGCLRRMGYIQGDSAAEVTE MAHTETGWSCHYCDNINLLL TEESGPSSG ; _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9688.757 _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 1WIL . "Solution Structure Of The Ring Finger Domain Of The Human Kiaa1045 Protein" . . . . . 100.00 89 100.00 100.00 5.43e-58 . . . . 10013 1 2 no DBJ BAA82997 . "KIAA1045 protein [Homo sapiens]" . . . . . 85.39 400 100.00 100.00 3.33e-48 . . . . 10013 1 3 no DBJ BAE90222 . "unnamed protein product [Macaca fascicularis]" . . . . . 85.39 383 98.68 98.68 1.54e-47 . . . . 10013 1 4 no DBJ BAE90573 . "unnamed protein product [Macaca fascicularis]" . . . . . 85.39 400 98.68 98.68 1.64e-47 . . . . 10013 1 5 no DBJ BAG09947 . "KIAA1045 protein [synthetic construct]" . . . . . 85.39 400 100.00 100.00 3.33e-48 . . . . 10013 1 6 no DBJ BAH11739 . "unnamed protein product [Homo sapiens]" . . . . . 85.39 400 100.00 100.00 3.33e-48 . . . . 10013 1 7 no EMBL CAH93249 . "hypothetical protein [Pongo abelii]" . . . . . 85.39 400 97.37 98.68 9.25e-47 . . . . 10013 1 8 no EMBL CAI29683 . "hypothetical protein [Pongo abelii]" . . . . . 85.39 409 98.68 98.68 2.88e-47 . . . . 10013 1 9 no GB EAW58408 . "hCG20484 [Homo sapiens]" . . . . . 85.39 400 100.00 100.00 3.33e-48 . . . . 10013 1 10 no GB EHH24010 . "Protein KIAA1045 [Macaca mulatta]" . . . . . 85.39 400 98.68 98.68 1.57e-47 . . . . 10013 1 11 no GB EHH57286 . "Protein KIAA1045 [Macaca fascicularis]" . . . . . 85.39 400 98.68 98.68 1.57e-47 . . . . 10013 1 12 no GB ELR52775 . "Protein KIAA1045 [Bos mutus]" . . . . . 85.39 400 97.37 98.68 6.67e-47 . . . . 10013 1 13 no REF NP_001127105 . "PHD finger protein 24 [Pongo abelii]" . . . . . 85.39 409 98.68 98.68 2.88e-47 . . . . 10013 1 14 no REF NP_001128900 . "protein KIAA1045 homolog [Pongo abelii]" . . . . . 85.39 400 97.37 98.68 9.25e-47 . . . . 10013 1 15 no REF NP_001291262 . "PHD finger protein 24 [Homo sapiens]" . . . . . 85.39 400 100.00 100.00 3.33e-48 . . . . 10013 1 16 no REF NP_056112 . "PHD finger protein 24 [Homo sapiens]" . . . . . 85.39 400 100.00 100.00 3.33e-48 . . . . 10013 1 17 no REF XP_002689719 . "PREDICTED: protein KIAA1045 homolog [Bos taurus]" . . . . . 85.39 400 97.37 98.68 6.67e-47 . . . . 10013 1 18 no SP Q5R4R7 . "RecName: Full=PHD finger protein 24" . . . . . 85.39 400 98.68 98.68 2.05e-47 . . . . 10013 1 19 no SP Q9UPV7 . "RecName: Full=PHD finger protein 24" . . . . . 85.39 400 100.00 100.00 3.33e-48 . . . . 10013 1 20 no TPG DAA26823 . "TPA: hypothetical protein BOS_8912 [Bos taurus]" . . . . . 85.39 400 97.37 98.68 6.67e-47 . . . . 10013 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 . 10013 1 2 . SER . 10013 1 3 . SER . 10013 1 4 . GLY . 10013 1 5 . SER . 10013 1 6 . SER . 10013 1 7 . GLY . 10013 1 8 . PRO . 10013 1 9 . ARG . 10013 1 10 . GLU . 10013 1 11 . PRO . 10013 1 12 . VAL . 10013 1 13 . VAL . 10013 1 14 . ASN . 10013 1 15 . ASP . 10013 1 16 . GLU . 10013 1 17 . MET . 10013 1 18 . CYS . 10013 1 19 . ASP . 10013 1 20 . VAL . 10013 1 21 . CYS . 10013 1 22 . GLU . 10013 1 23 . VAL . 10013 1 24 . TRP . 10013 1 25 . THR . 10013 1 26 . ALA . 10013 1 27 . GLU . 10013 1 28 . SER . 10013 1 29 . LEU . 10013 1 30 . PHE . 10013 1 31 . PRO . 10013 1 32 . CYS . 10013 1 33 . ARG . 10013 1 34 . VAL . 10013 1 35 . CYS . 10013 1 36 . THR . 10013 1 37 . ARG . 10013 1 38 . VAL . 10013 1 39 . PHE . 10013 1 40 . HIS . 10013 1 41 . ASP . 10013 1 42 . GLY . 10013 1 43 . CYS . 10013 1 44 . LEU . 10013 1 45 . ARG . 10013 1 46 . ARG . 10013 1 47 . MET . 10013 1 48 . GLY . 10013 1 49 . TYR . 10013 1 50 . ILE . 10013 1 51 . GLN . 10013 1 52 . GLY . 10013 1 53 . ASP . 10013 1 54 . SER . 10013 1 55 . ALA . 10013 1 56 . ALA . 10013 1 57 . GLU . 10013 1 58 . VAL . 10013 1 59 . THR . 10013 1 60 . GLU . 10013 1 61 . MET . 10013 1 62 . ALA . 10013 1 63 . HIS . 10013 1 64 . THR . 10013 1 65 . GLU . 10013 1 66 . THR . 10013 1 67 . GLY . 10013 1 68 . TRP . 10013 1 69 . SER . 10013 1 70 . CYS . 10013 1 71 . HIS . 10013 1 72 . TYR . 10013 1 73 . CYS . 10013 1 74 . ASP . 10013 1 75 . ASN . 10013 1 76 . ILE . 10013 1 77 . ASN . 10013 1 78 . LEU . 10013 1 79 . LEU . 10013 1 80 . LEU . 10013 1 81 . THR . 10013 1 82 . GLU . 10013 1 83 . GLU . 10013 1 84 . SER . 10013 1 85 . GLY . 10013 1 86 . PRO . 10013 1 87 . SER . 10013 1 88 . SER . 10013 1 89 . GLY . 10013 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 10013 1 . SER 2 2 10013 1 . SER 3 3 10013 1 . GLY 4 4 10013 1 . SER 5 5 10013 1 . SER 6 6 10013 1 . GLY 7 7 10013 1 . PRO 8 8 10013 1 . ARG 9 9 10013 1 . GLU 10 10 10013 1 . PRO 11 11 10013 1 . VAL 12 12 10013 1 . VAL 13 13 10013 1 . ASN 14 14 10013 1 . ASP 15 15 10013 1 . GLU 16 16 10013 1 . MET 17 17 10013 1 . CYS 18 18 10013 1 . ASP 19 19 10013 1 . VAL 20 20 10013 1 . CYS 21 21 10013 1 . GLU 22 22 10013 1 . VAL 23 23 10013 1 . TRP 24 24 10013 1 . THR 25 25 10013 1 . ALA 26 26 10013 1 . GLU 27 27 10013 1 . SER 28 28 10013 1 . LEU 29 29 10013 1 . PHE 30 30 10013 1 . PRO 31 31 10013 1 . CYS 32 32 10013 1 . ARG 33 33 10013 1 . VAL 34 34 10013 1 . CYS 35 35 10013 1 . THR 36 36 10013 1 . ARG 37 37 10013 1 . VAL 38 38 10013 1 . PHE 39 39 10013 1 . HIS 40 40 10013 1 . ASP 41 41 10013 1 . GLY 42 42 10013 1 . CYS 43 43 10013 1 . LEU 44 44 10013 1 . ARG 45 45 10013 1 . ARG 46 46 10013 1 . MET 47 47 10013 1 . GLY 48 48 10013 1 . TYR 49 49 10013 1 . ILE 50 50 10013 1 . GLN 51 51 10013 1 . GLY 52 52 10013 1 . ASP 53 53 10013 1 . SER 54 54 10013 1 . ALA 55 55 10013 1 . ALA 56 56 10013 1 . GLU 57 57 10013 1 . VAL 58 58 10013 1 . THR 59 59 10013 1 . GLU 60 60 10013 1 . MET 61 61 10013 1 . ALA 62 62 10013 1 . HIS 63 63 10013 1 . THR 64 64 10013 1 . GLU 65 65 10013 1 . THR 66 66 10013 1 . GLY 67 67 10013 1 . TRP 68 68 10013 1 . SER 69 69 10013 1 . CYS 70 70 10013 1 . HIS 71 71 10013 1 . TYR 72 72 10013 1 . CYS 73 73 10013 1 . ASP 74 74 10013 1 . ASN 75 75 10013 1 . ILE 76 76 10013 1 . ASN 77 77 10013 1 . LEU 78 78 10013 1 . LEU 79 79 10013 1 . LEU 80 80 10013 1 . THR 81 81 10013 1 . GLU 82 82 10013 1 . GLU 83 83 10013 1 . SER 84 84 10013 1 . GLY 85 85 10013 1 . PRO 86 86 10013 1 . SER 87 87 10013 1 . SER 88 88 10013 1 . GLY 89 89 10013 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 10013 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 10013 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 10013 _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 $RING_Finger_Domain . 9606 . no 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10013 1 stop_ loop_ _Natural_source_db.Entity_natural_src_ID _Natural_source_db.Entity_ID _Natural_source_db.Entity_label _Natural_source_db.Entity_chimera_segment_ID _Natural_source_db.Database_code _Natural_source_db.Database_type _Natural_source_db.Entry_code _Natural_source_db.Entry_type _Natural_source_db.ORF_code _Natural_source_db.Gene_locus_code _Natural_source_db.Gene_cDNA_code _Natural_source_db.Entry_ID _Natural_source_db.Entity_natural_src_list_ID . 1 $RING_Finger_Domain . BAA82997 . 5689427 . . . . 10013 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 10013 _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 $RING_Finger_Domain . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P030609-29 . . . . . . 10013 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 10013 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Sep 14 14:34:17 2011 ; _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 10013 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 10013 ZN [Zn++] SMILES CACTVS 3.341 10013 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 10013 ZN [Zn+2] SMILES ACDLabs 10.04 10013 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 10013 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 10013 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 10013 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 10013 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 10013 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10013 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RING Finger Domain' '[U-13C; U-15N]' . . . . . protein 0.4 . . mM . . . . 10013 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10013 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10013 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10013 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10013 1 6 ZnCl2 . . . . . . salt 0.1 . . mM . . . . 10013 1 7 D2O . . . . . . solvent 10 . . % . . . . 10013 1 8 H2O . . . . . . solvent 90 . . % . . . . 10013 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 10013 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.12 0.001 M 10013 1 pH 7.0 0.05 pH 10013 1 pressure 1 0.03 atm 10013 1 temperature 296 0.1 K 10013 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10013 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10013 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10013 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10013 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details 'Delaglio, F.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10013 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10013 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details 'Johnson, B. A.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10013 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10013 _Software.ID 4 _Software.Name Kujira _Software.Version 0.8996 _Software.Details 'Kobayashi, N.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10013 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10013 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details 'Guntert, P.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10013 5 'structure solution' 10013 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 10013 _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_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10013 _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_13C-separated_NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10013 1 2 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10013 1 stop_ save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10013 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10013 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 10013 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784 ppm at 296 K) 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 . . . . . . . . . 10013 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 10013 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10013 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_assigned_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10013 _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_13C-separated_NOESY 1 $sample_1 isotropic 10013 1 2 3D_15N-separated_NOESY 1 $sample_1 isotropic 10013 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 PRO HA H 1 4.421 0.030 . 1 . . . . 8 PRO HA . 10013 1 2 . 1 1 8 8 PRO HB2 H 1 1.919 0.030 . 2 . . . . 8 PRO HB2 . 10013 1 3 . 1 1 8 8 PRO HB3 H 1 2.243 0.030 . 2 . . . . 8 PRO HB3 . 10013 1 4 . 1 1 8 8 PRO HG2 H 1 2.003 0.030 . 1 . . . . 8 PRO HG2 . 10013 1 5 . 1 1 8 8 PRO HG3 H 1 2.003 0.030 . 1 . . . . 8 PRO HG3 . 10013 1 6 . 1 1 8 8 PRO HD2 H 1 3.604 0.030 . 1 . . . . 8 PRO HD2 . 10013 1 7 . 1 1 8 8 PRO HD3 H 1 3.604 0.030 . 1 . . . . 8 PRO HD3 . 10013 1 8 . 1 1 8 8 PRO C C 13 176.979 0.300 . 1 . . . . 8 PRO C . 10013 1 9 . 1 1 8 8 PRO CA C 13 63.094 0.300 . 1 . . . . 8 PRO CA . 10013 1 10 . 1 1 8 8 PRO CB C 13 32.173 0.300 . 1 . . . . 8 PRO CB . 10013 1 11 . 1 1 8 8 PRO CG C 13 27.317 0.300 . 1 . . . . 8 PRO CG . 10013 1 12 . 1 1 8 8 PRO CD C 13 49.780 0.300 . 1 . . . . 8 PRO CD . 10013 1 13 . 1 1 9 9 ARG H H 1 8.445 0.030 . 1 . . . . 9 ARG H . 10013 1 14 . 1 1 9 9 ARG HA H 1 4.332 0.030 . 1 . . . . 9 ARG HA . 10013 1 15 . 1 1 9 9 ARG HB2 H 1 1.764 0.030 . 2 . . . . 9 ARG HB2 . 10013 1 16 . 1 1 9 9 ARG HB3 H 1 1.837 0.030 . 2 . . . . 9 ARG HB3 . 10013 1 17 . 1 1 9 9 ARG HG2 H 1 1.600 0.030 . 1 . . . . 9 ARG HG2 . 10013 1 18 . 1 1 9 9 ARG HG3 H 1 1.600 0.030 . 1 . . . . 9 ARG HG3 . 10013 1 19 . 1 1 9 9 ARG HD2 H 1 3.157 0.030 . 1 . . . . 9 ARG HD2 . 10013 1 20 . 1 1 9 9 ARG HD3 H 1 3.157 0.030 . 1 . . . . 9 ARG HD3 . 10013 1 21 . 1 1 9 9 ARG C C 13 176.071 0.300 . 1 . . . . 9 ARG C . 10013 1 22 . 1 1 9 9 ARG CA C 13 55.831 0.300 . 1 . . . . 9 ARG CA . 10013 1 23 . 1 1 9 9 ARG CB C 13 30.981 0.300 . 1 . . . . 9 ARG CB . 10013 1 24 . 1 1 9 9 ARG CG C 13 26.746 0.300 . 1 . . . . 9 ARG CG . 10013 1 25 . 1 1 9 9 ARG CD C 13 43.273 0.300 . 1 . . . . 9 ARG CD . 10013 1 26 . 1 1 9 9 ARG N N 15 121.373 0.300 . 1 . . . . 9 ARG N . 10013 1 27 . 1 1 10 10 GLU H H 1 8.360 0.030 . 1 . . . . 10 GLU H . 10013 1 28 . 1 1 10 10 GLU HA H 1 4.550 0.030 . 1 . . . . 10 GLU HA . 10013 1 29 . 1 1 10 10 GLU HB2 H 1 1.869 0.030 . 2 . . . . 10 GLU HB2 . 10013 1 30 . 1 1 10 10 GLU HB3 H 1 2.033 0.030 . 2 . . . . 10 GLU HB3 . 10013 1 31 . 1 1 10 10 GLU HG2 H 1 2.276 0.030 . 1 . . . . 10 GLU HG2 . 10013 1 32 . 1 1 10 10 GLU HG3 H 1 2.276 0.030 . 1 . . . . 10 GLU HG3 . 10013 1 33 . 1 1 10 10 GLU C C 13 174.435 0.300 . 1 . . . . 10 GLU C . 10013 1 34 . 1 1 10 10 GLU CA C 13 54.307 0.300 . 1 . . . . 10 GLU CA . 10013 1 35 . 1 1 10 10 GLU CB C 13 29.629 0.300 . 1 . . . . 10 GLU CB . 10013 1 36 . 1 1 10 10 GLU CG C 13 35.997 0.300 . 1 . . . . 10 GLU CG . 10013 1 37 . 1 1 10 10 GLU N N 15 123.505 0.300 . 1 . . . . 10 GLU N . 10013 1 38 . 1 1 11 11 PRO HA H 1 4.391 0.030 . 1 . . . . 11 PRO HA . 10013 1 39 . 1 1 11 11 PRO HB2 H 1 1.839 0.030 . 2 . . . . 11 PRO HB2 . 10013 1 40 . 1 1 11 11 PRO HB3 H 1 2.204 0.030 . 2 . . . . 11 PRO HB3 . 10013 1 41 . 1 1 11 11 PRO HG2 H 1 1.957 0.030 . 2 . . . . 11 PRO HG2 . 10013 1 42 . 1 1 11 11 PRO HG3 H 1 2.007 0.030 . 2 . . . . 11 PRO HG3 . 10013 1 43 . 1 1 11 11 PRO HD2 H 1 3.672 0.030 . 2 . . . . 11 PRO HD2 . 10013 1 44 . 1 1 11 11 PRO HD3 H 1 3.775 0.030 . 2 . . . . 11 PRO HD3 . 10013 1 45 . 1 1 11 11 PRO C C 13 176.592 0.300 . 1 . . . . 11 PRO C . 10013 1 46 . 1 1 11 11 PRO CA C 13 63.093 0.300 . 1 . . . . 11 PRO CA . 10013 1 47 . 1 1 11 11 PRO CB C 13 32.002 0.300 . 1 . . . . 11 PRO CB . 10013 1 48 . 1 1 11 11 PRO CG C 13 27.322 0.300 . 1 . . . . 11 PRO CG . 10013 1 49 . 1 1 11 11 PRO CD C 13 50.525 0.300 . 1 . . . . 11 PRO CD . 10013 1 50 . 1 1 12 12 VAL H H 1 8.208 0.030 . 1 . . . . 12 VAL H . 10013 1 51 . 1 1 12 12 VAL HA H 1 4.096 0.030 . 1 . . . . 12 VAL HA . 10013 1 52 . 1 1 12 12 VAL HB H 1 2.002 0.030 . 1 . . . . 12 VAL HB . 10013 1 53 . 1 1 12 12 VAL HG11 H 1 0.910 0.030 . 1 . . . . 12 VAL HG1 . 10013 1 54 . 1 1 12 12 VAL HG12 H 1 0.910 0.030 . 1 . . . . 12 VAL HG1 . 10013 1 55 . 1 1 12 12 VAL HG13 H 1 0.910 0.030 . 1 . . . . 12 VAL HG1 . 10013 1 56 . 1 1 12 12 VAL HG21 H 1 0.875 0.030 . 1 . . . . 12 VAL HG2 . 10013 1 57 . 1 1 12 12 VAL HG22 H 1 0.875 0.030 . 1 . . . . 12 VAL HG2 . 10013 1 58 . 1 1 12 12 VAL HG23 H 1 0.875 0.030 . 1 . . . . 12 VAL HG2 . 10013 1 59 . 1 1 12 12 VAL C C 13 176.119 0.300 . 1 . . . . 12 VAL C . 10013 1 60 . 1 1 12 12 VAL CA C 13 62.068 0.300 . 1 . . . . 12 VAL CA . 10013 1 61 . 1 1 12 12 VAL CB C 13 32.943 0.300 . 1 . . . . 12 VAL CB . 10013 1 62 . 1 1 12 12 VAL CG1 C 13 20.519 0.300 . 2 . . . . 12 VAL CG1 . 10013 1 63 . 1 1 12 12 VAL CG2 C 13 21.274 0.300 . 2 . . . . 12 VAL CG2 . 10013 1 64 . 1 1 12 12 VAL N N 15 120.922 0.300 . 1 . . . . 12 VAL N . 10013 1 65 . 1 1 13 13 VAL H H 1 8.242 0.030 . 1 . . . . 13 VAL H . 10013 1 66 . 1 1 13 13 VAL HA H 1 4.053 0.030 . 1 . . . . 13 VAL HA . 10013 1 67 . 1 1 13 13 VAL HB H 1 1.985 0.030 . 1 . . . . 13 VAL HB . 10013 1 68 . 1 1 13 13 VAL HG11 H 1 0.861 0.030 . 1 . . . . 13 VAL HG1 . 10013 1 69 . 1 1 13 13 VAL HG12 H 1 0.861 0.030 . 1 . . . . 13 VAL HG1 . 10013 1 70 . 1 1 13 13 VAL HG13 H 1 0.861 0.030 . 1 . . . . 13 VAL HG1 . 10013 1 71 . 1 1 13 13 VAL HG21 H 1 0.856 0.030 . 1 . . . . 13 VAL HG2 . 10013 1 72 . 1 1 13 13 VAL HG22 H 1 0.856 0.030 . 1 . . . . 13 VAL HG2 . 10013 1 73 . 1 1 13 13 VAL HG23 H 1 0.856 0.030 . 1 . . . . 13 VAL HG2 . 10013 1 74 . 1 1 13 13 VAL C C 13 175.525 0.300 . 1 . . . . 13 VAL C . 10013 1 75 . 1 1 13 13 VAL CA C 13 62.157 0.300 . 1 . . . . 13 VAL CA . 10013 1 76 . 1 1 13 13 VAL CB C 13 32.835 0.300 . 1 . . . . 13 VAL CB . 10013 1 77 . 1 1 13 13 VAL CG1 C 13 20.541 0.300 . 2 . . . . 13 VAL CG1 . 10013 1 78 . 1 1 13 13 VAL CG2 C 13 21.197 0.300 . 2 . . . . 13 VAL CG2 . 10013 1 79 . 1 1 13 13 VAL N N 15 124.431 0.300 . 1 . . . . 13 VAL N . 10013 1 80 . 1 1 14 14 ASN H H 1 8.419 0.030 . 1 . . . . 14 ASN H . 10013 1 81 . 1 1 14 14 ASN HA H 1 4.694 0.030 . 1 . . . . 14 ASN HA . 10013 1 82 . 1 1 14 14 ASN HB2 H 1 2.667 0.030 . 2 . . . . 14 ASN HB2 . 10013 1 83 . 1 1 14 14 ASN HB3 H 1 2.810 0.030 . 2 . . . . 14 ASN HB3 . 10013 1 84 . 1 1 14 14 ASN HD21 H 1 6.841 0.030 . 2 . . . . 14 ASN HD21 . 10013 1 85 . 1 1 14 14 ASN HD22 H 1 7.579 0.030 . 2 . . . . 14 ASN HD22 . 10013 1 86 . 1 1 14 14 ASN C C 13 174.544 0.300 . 1 . . . . 14 ASN C . 10013 1 87 . 1 1 14 14 ASN CA C 13 53.226 0.300 . 1 . . . . 14 ASN CA . 10013 1 88 . 1 1 14 14 ASN CB C 13 39.244 0.300 . 1 . . . . 14 ASN CB . 10013 1 89 . 1 1 14 14 ASN N N 15 122.827 0.300 . 1 . . . . 14 ASN N . 10013 1 90 . 1 1 14 14 ASN ND2 N 15 112.889 0.300 . 1 . . . . 14 ASN ND2 . 10013 1 91 . 1 1 15 15 ASP H H 1 8.320 0.030 . 1 . . . . 15 ASP H . 10013 1 92 . 1 1 15 15 ASP HA H 1 4.548 0.030 . 1 . . . . 15 ASP HA . 10013 1 93 . 1 1 15 15 ASP HB2 H 1 2.642 0.030 . 1 . . . . 15 ASP HB2 . 10013 1 94 . 1 1 15 15 ASP HB3 H 1 2.642 0.030 . 1 . . . . 15 ASP HB3 . 10013 1 95 . 1 1 15 15 ASP C C 13 175.683 0.300 . 1 . . . . 15 ASP C . 10013 1 96 . 1 1 15 15 ASP CA C 13 54.275 0.300 . 1 . . . . 15 ASP CA . 10013 1 97 . 1 1 15 15 ASP CB C 13 41.094 0.300 . 1 . . . . 15 ASP CB . 10013 1 98 . 1 1 15 15 ASP N N 15 121.228 0.300 . 1 . . . . 15 ASP N . 10013 1 99 . 1 1 16 16 GLU H H 1 8.178 0.030 . 1 . . . . 16 GLU H . 10013 1 100 . 1 1 16 16 GLU HA H 1 4.228 0.030 . 1 . . . . 16 GLU HA . 10013 1 101 . 1 1 16 16 GLU HB2 H 1 1.865 0.030 . 2 . . . . 16 GLU HB2 . 10013 1 102 . 1 1 16 16 GLU HB3 H 1 2.004 0.030 . 2 . . . . 16 GLU HB3 . 10013 1 103 . 1 1 16 16 GLU HG2 H 1 2.196 0.030 . 2 . . . . 16 GLU HG2 . 10013 1 104 . 1 1 16 16 GLU HG3 H 1 2.274 0.030 . 2 . . . . 16 GLU HG3 . 10013 1 105 . 1 1 16 16 GLU C C 13 174.945 0.300 . 1 . . . . 16 GLU C . 10013 1 106 . 1 1 16 16 GLU CA C 13 56.407 0.300 . 1 . . . . 16 GLU CA . 10013 1 107 . 1 1 16 16 GLU CB C 13 30.741 0.300 . 1 . . . . 16 GLU CB . 10013 1 108 . 1 1 16 16 GLU CG C 13 36.466 0.300 . 1 . . . . 16 GLU CG . 10013 1 109 . 1 1 16 16 GLU N N 15 119.468 0.300 . 1 . . . . 16 GLU N . 10013 1 110 . 1 1 17 17 MET H H 1 7.857 0.030 . 1 . . . . 17 MET H . 10013 1 111 . 1 1 17 17 MET HA H 1 4.484 0.030 . 1 . . . . 17 MET HA . 10013 1 112 . 1 1 17 17 MET HB2 H 1 1.637 0.030 . 1 . . . . 17 MET HB2 . 10013 1 113 . 1 1 17 17 MET HB3 H 1 1.637 0.030 . 1 . . . . 17 MET HB3 . 10013 1 114 . 1 1 17 17 MET HG2 H 1 2.248 0.030 . 2 . . . . 17 MET HG2 . 10013 1 115 . 1 1 17 17 MET HG3 H 1 2.320 0.030 . 2 . . . . 17 MET HG3 . 10013 1 116 . 1 1 17 17 MET HE1 H 1 1.967 0.030 . 1 . . . . 17 MET HE . 10013 1 117 . 1 1 17 17 MET HE2 H 1 1.967 0.030 . 1 . . . . 17 MET HE . 10013 1 118 . 1 1 17 17 MET HE3 H 1 1.967 0.030 . 1 . . . . 17 MET HE . 10013 1 119 . 1 1 17 17 MET C C 13 173.636 0.300 . 1 . . . . 17 MET C . 10013 1 120 . 1 1 17 17 MET CA C 13 53.272 0.300 . 1 . . . . 17 MET CA . 10013 1 121 . 1 1 17 17 MET CB C 13 35.985 0.300 . 1 . . . . 17 MET CB . 10013 1 122 . 1 1 17 17 MET CG C 13 32.005 0.300 . 1 . . . . 17 MET CG . 10013 1 123 . 1 1 17 17 MET CE C 13 17.440 0.300 . 1 . . . . 17 MET CE . 10013 1 124 . 1 1 17 17 MET N N 15 118.642 0.300 . 1 . . . . 17 MET N . 10013 1 125 . 1 1 18 18 CYS H H 1 8.561 0.030 . 1 . . . . 18 CYS H . 10013 1 126 . 1 1 18 18 CYS HA H 1 3.855 0.030 . 1 . . . . 18 CYS HA . 10013 1 127 . 1 1 18 18 CYS HB2 H 1 1.607 0.030 . 1 . . . . 18 CYS HB2 . 10013 1 128 . 1 1 18 18 CYS HB3 H 1 1.607 0.030 . 1 . . . . 18 CYS HB3 . 10013 1 129 . 1 1 18 18 CYS C C 13 177.076 0.300 . 1 . . . . 18 CYS C . 10013 1 130 . 1 1 18 18 CYS CA C 13 58.523 0.300 . 1 . . . . 18 CYS CA . 10013 1 131 . 1 1 18 18 CYS CB C 13 31.186 0.300 . 1 . . . . 18 CYS CB . 10013 1 132 . 1 1 18 18 CYS N N 15 124.566 0.300 . 1 . . . . 18 CYS N . 10013 1 133 . 1 1 19 19 ASP H H 1 8.368 0.030 . 1 . . . . 19 ASP H . 10013 1 134 . 1 1 19 19 ASP HA H 1 4.285 0.030 . 1 . . . . 19 ASP HA . 10013 1 135 . 1 1 19 19 ASP HB2 H 1 2.394 0.030 . 2 . . . . 19 ASP HB2 . 10013 1 136 . 1 1 19 19 ASP HB3 H 1 2.464 0.030 . 2 . . . . 19 ASP HB3 . 10013 1 137 . 1 1 19 19 ASP C C 13 175.974 0.300 . 1 . . . . 19 ASP C . 10013 1 138 . 1 1 19 19 ASP CA C 13 57.165 0.300 . 1 . . . . 19 ASP CA . 10013 1 139 . 1 1 19 19 ASP CB C 13 44.600 0.300 . 1 . . . . 19 ASP CB . 10013 1 140 . 1 1 19 19 ASP N N 15 127.836 0.300 . 1 . . . . 19 ASP N . 10013 1 141 . 1 1 20 20 VAL H H 1 8.947 0.030 . 1 . . . . 20 VAL H . 10013 1 142 . 1 1 20 20 VAL HA H 1 4.098 0.030 . 1 . . . . 20 VAL HA . 10013 1 143 . 1 1 20 20 VAL HB H 1 2.314 0.030 . 1 . . . . 20 VAL HB . 10013 1 144 . 1 1 20 20 VAL HG11 H 1 1.453 0.030 . 1 . . . . 20 VAL HG1 . 10013 1 145 . 1 1 20 20 VAL HG12 H 1 1.453 0.030 . 1 . . . . 20 VAL HG1 . 10013 1 146 . 1 1 20 20 VAL HG13 H 1 1.453 0.030 . 1 . . . . 20 VAL HG1 . 10013 1 147 . 1 1 20 20 VAL HG21 H 1 1.126 0.030 . 1 . . . . 20 VAL HG2 . 10013 1 148 . 1 1 20 20 VAL HG22 H 1 1.126 0.030 . 1 . . . . 20 VAL HG2 . 10013 1 149 . 1 1 20 20 VAL HG23 H 1 1.126 0.030 . 1 . . . . 20 VAL HG2 . 10013 1 150 . 1 1 20 20 VAL C C 13 177.367 0.300 . 1 . . . . 20 VAL C . 10013 1 151 . 1 1 20 20 VAL CA C 13 64.955 0.300 . 1 . . . . 20 VAL CA . 10013 1 152 . 1 1 20 20 VAL CB C 13 33.177 0.300 . 1 . . . . 20 VAL CB . 10013 1 153 . 1 1 20 20 VAL CG1 C 13 21.999 0.300 . 2 . . . . 20 VAL CG1 . 10013 1 154 . 1 1 20 20 VAL CG2 C 13 21.456 0.300 . 2 . . . . 20 VAL CG2 . 10013 1 155 . 1 1 20 20 VAL N N 15 116.432 0.300 . 1 . . . . 20 VAL N . 10013 1 156 . 1 1 21 21 CYS H H 1 8.011 0.030 . 1 . . . . 21 CYS H . 10013 1 157 . 1 1 21 21 CYS HA H 1 4.827 0.030 . 1 . . . . 21 CYS HA . 10013 1 158 . 1 1 21 21 CYS HB2 H 1 3.077 0.030 . 2 . . . . 21 CYS HB2 . 10013 1 159 . 1 1 21 21 CYS HB3 H 1 3.130 0.030 . 2 . . . . 21 CYS HB3 . 10013 1 160 . 1 1 21 21 CYS C C 13 175.344 0.300 . 1 . . . . 21 CYS C . 10013 1 161 . 1 1 21 21 CYS CA C 13 58.843 0.300 . 1 . . . . 21 CYS CA . 10013 1 162 . 1 1 21 21 CYS CB C 13 31.269 0.300 . 1 . . . . 21 CYS CB . 10013 1 163 . 1 1 21 21 CYS N N 15 116.965 0.300 . 1 . . . . 21 CYS N . 10013 1 164 . 1 1 22 22 GLU H H 1 7.964 0.030 . 1 . . . . 22 GLU H . 10013 1 165 . 1 1 22 22 GLU HA H 1 3.830 0.030 . 1 . . . . 22 GLU HA . 10013 1 166 . 1 1 22 22 GLU HB2 H 1 2.183 0.030 . 2 . . . . 22 GLU HB2 . 10013 1 167 . 1 1 22 22 GLU HB3 H 1 2.252 0.030 . 2 . . . . 22 GLU HB3 . 10013 1 168 . 1 1 22 22 GLU HG2 H 1 2.031 0.030 . 2 . . . . 22 GLU HG2 . 10013 1 169 . 1 1 22 22 GLU HG3 H 1 2.149 0.030 . 2 . . . . 22 GLU HG3 . 10013 1 170 . 1 1 22 22 GLU C C 13 174.326 0.300 . 1 . . . . 22 GLU C . 10013 1 171 . 1 1 22 22 GLU CA C 13 57.976 0.300 . 1 . . . . 22 GLU CA . 10013 1 172 . 1 1 22 22 GLU CB C 13 28.119 0.300 . 1 . . . . 22 GLU CB . 10013 1 173 . 1 1 22 22 GLU CG C 13 37.159 0.300 . 1 . . . . 22 GLU CG . 10013 1 174 . 1 1 22 22 GLU N N 15 118.055 0.300 . 1 . . . . 22 GLU N . 10013 1 175 . 1 1 23 23 VAL H H 1 8.116 0.030 . 1 . . . . 23 VAL H . 10013 1 176 . 1 1 23 23 VAL HA H 1 4.610 0.030 . 1 . . . . 23 VAL HA . 10013 1 177 . 1 1 23 23 VAL HB H 1 2.258 0.030 . 1 . . . . 23 VAL HB . 10013 1 178 . 1 1 23 23 VAL HG11 H 1 0.957 0.030 . 1 . . . . 23 VAL HG1 . 10013 1 179 . 1 1 23 23 VAL HG12 H 1 0.957 0.030 . 1 . . . . 23 VAL HG1 . 10013 1 180 . 1 1 23 23 VAL HG13 H 1 0.957 0.030 . 1 . . . . 23 VAL HG1 . 10013 1 181 . 1 1 23 23 VAL HG21 H 1 0.978 0.030 . 1 . . . . 23 VAL HG2 . 10013 1 182 . 1 1 23 23 VAL HG22 H 1 0.978 0.030 . 1 . . . . 23 VAL HG2 . 10013 1 183 . 1 1 23 23 VAL HG23 H 1 0.978 0.030 . 1 . . . . 23 VAL HG2 . 10013 1 184 . 1 1 23 23 VAL C C 13 175.829 0.300 . 1 . . . . 23 VAL C . 10013 1 185 . 1 1 23 23 VAL CA C 13 60.951 0.300 . 1 . . . . 23 VAL CA . 10013 1 186 . 1 1 23 23 VAL CB C 13 35.791 0.300 . 1 . . . . 23 VAL CB . 10013 1 187 . 1 1 23 23 VAL CG1 C 13 20.692 0.300 . 2 . . . . 23 VAL CG1 . 10013 1 188 . 1 1 23 23 VAL CG2 C 13 21.691 0.300 . 2 . . . . 23 VAL CG2 . 10013 1 189 . 1 1 23 23 VAL N N 15 116.219 0.300 . 1 . . . . 23 VAL N . 10013 1 190 . 1 1 24 24 TRP H H 1 8.828 0.030 . 1 . . . . 24 TRP H . 10013 1 191 . 1 1 24 24 TRP HA H 1 4.620 0.030 . 1 . . . . 24 TRP HA . 10013 1 192 . 1 1 24 24 TRP HB2 H 1 3.195 0.030 . 2 . . . . 24 TRP HB2 . 10013 1 193 . 1 1 24 24 TRP HB3 H 1 3.308 0.030 . 2 . . . . 24 TRP HB3 . 10013 1 194 . 1 1 24 24 TRP HD1 H 1 7.349 0.030 . 1 . . . . 24 TRP HD1 . 10013 1 195 . 1 1 24 24 TRP HE1 H 1 10.088 0.030 . 1 . . . . 24 TRP HE1 . 10013 1 196 . 1 1 24 24 TRP HE3 H 1 7.512 0.030 . 1 . . . . 24 TRP HE3 . 10013 1 197 . 1 1 24 24 TRP HZ2 H 1 7.440 0.030 . 1 . . . . 24 TRP HZ2 . 10013 1 198 . 1 1 24 24 TRP HZ3 H 1 7.104 0.030 . 1 . . . . 24 TRP HZ3 . 10013 1 199 . 1 1 24 24 TRP HH2 H 1 7.188 0.030 . 1 . . . . 24 TRP HH2 . 10013 1 200 . 1 1 24 24 TRP C C 13 176.471 0.300 . 1 . . . . 24 TRP C . 10013 1 201 . 1 1 24 24 TRP CA C 13 58.737 0.300 . 1 . . . . 24 TRP CA . 10013 1 202 . 1 1 24 24 TRP CB C 13 29.341 0.300 . 1 . . . . 24 TRP CB . 10013 1 203 . 1 1 24 24 TRP CD1 C 13 127.470 0.300 . 1 . . . . 24 TRP CD1 . 10013 1 204 . 1 1 24 24 TRP CE3 C 13 120.668 0.300 . 1 . . . . 24 TRP CE3 . 10013 1 205 . 1 1 24 24 TRP CZ2 C 13 114.612 0.300 . 1 . . . . 24 TRP CZ2 . 10013 1 206 . 1 1 24 24 TRP CZ3 C 13 122.004 0.300 . 1 . . . . 24 TRP CZ3 . 10013 1 207 . 1 1 24 24 TRP CH2 C 13 124.368 0.300 . 1 . . . . 24 TRP CH2 . 10013 1 208 . 1 1 24 24 TRP N N 15 126.080 0.300 . 1 . . . . 24 TRP N . 10013 1 209 . 1 1 24 24 TRP NE1 N 15 129.786 0.300 . 1 . . . . 24 TRP NE1 . 10013 1 210 . 1 1 25 25 THR H H 1 7.597 0.030 . 1 . . . . 25 THR H . 10013 1 211 . 1 1 25 25 THR HA H 1 4.283 0.030 . 1 . . . . 25 THR HA . 10013 1 212 . 1 1 25 25 THR HB H 1 4.209 0.030 . 1 . . . . 25 THR HB . 10013 1 213 . 1 1 25 25 THR HG21 H 1 0.983 0.030 . 1 . . . . 25 THR HG2 . 10013 1 214 . 1 1 25 25 THR HG22 H 1 0.983 0.030 . 1 . . . . 25 THR HG2 . 10013 1 215 . 1 1 25 25 THR HG23 H 1 0.983 0.030 . 1 . . . . 25 THR HG2 . 10013 1 216 . 1 1 25 25 THR C C 13 172.606 0.300 . 1 . . . . 25 THR C . 10013 1 217 . 1 1 25 25 THR CA C 13 59.532 0.300 . 1 . . . . 25 THR CA . 10013 1 218 . 1 1 25 25 THR CB C 13 71.530 0.300 . 1 . . . . 25 THR CB . 10013 1 219 . 1 1 25 25 THR CG2 C 13 21.731 0.300 . 1 . . . . 25 THR CG2 . 10013 1 220 . 1 1 25 25 THR N N 15 117.676 0.300 . 1 . . . . 25 THR N . 10013 1 221 . 1 1 26 26 ALA H H 1 7.909 0.030 . 1 . . . . 26 ALA H . 10013 1 222 . 1 1 26 26 ALA HA H 1 4.031 0.030 . 1 . . . . 26 ALA HA . 10013 1 223 . 1 1 26 26 ALA HB1 H 1 1.381 0.030 . 1 . . . . 26 ALA HB . 10013 1 224 . 1 1 26 26 ALA HB2 H 1 1.381 0.030 . 1 . . . . 26 ALA HB . 10013 1 225 . 1 1 26 26 ALA HB3 H 1 1.381 0.030 . 1 . . . . 26 ALA HB . 10013 1 226 . 1 1 26 26 ALA C C 13 177.488 0.300 . 1 . . . . 26 ALA C . 10013 1 227 . 1 1 26 26 ALA CA C 13 52.407 0.300 . 1 . . . . 26 ALA CA . 10013 1 228 . 1 1 26 26 ALA CB C 13 18.319 0.300 . 1 . . . . 26 ALA CB . 10013 1 229 . 1 1 26 26 ALA N N 15 119.562 0.300 . 1 . . . . 26 ALA N . 10013 1 230 . 1 1 27 27 GLU H H 1 7.690 0.030 . 1 . . . . 27 GLU H . 10013 1 231 . 1 1 27 27 GLU HA H 1 4.196 0.030 . 1 . . . . 27 GLU HA . 10013 1 232 . 1 1 27 27 GLU HB2 H 1 1.961 0.030 . 2 . . . . 27 GLU HB2 . 10013 1 233 . 1 1 27 27 GLU HB3 H 1 1.619 0.030 . 2 . . . . 27 GLU HB3 . 10013 1 234 . 1 1 27 27 GLU HG2 H 1 2.241 0.030 . 2 . . . . 27 GLU HG2 . 10013 1 235 . 1 1 27 27 GLU HG3 H 1 2.371 0.030 . 2 . . . . 27 GLU HG3 . 10013 1 236 . 1 1 27 27 GLU C C 13 176.216 0.300 . 1 . . . . 27 GLU C . 10013 1 237 . 1 1 27 27 GLU CA C 13 56.208 0.300 . 1 . . . . 27 GLU CA . 10013 1 238 . 1 1 27 27 GLU CB C 13 31.022 0.300 . 1 . . . . 27 GLU CB . 10013 1 239 . 1 1 27 27 GLU CG C 13 36.695 0.300 . 1 . . . . 27 GLU CG . 10013 1 240 . 1 1 27 27 GLU N N 15 119.658 0.300 . 1 . . . . 27 GLU N . 10013 1 241 . 1 1 28 28 SER H H 1 8.578 0.030 . 1 . . . . 28 SER H . 10013 1 242 . 1 1 28 28 SER HA H 1 4.232 0.030 . 1 . . . . 28 SER HA . 10013 1 243 . 1 1 28 28 SER HB2 H 1 3.731 0.030 . 2 . . . . 28 SER HB2 . 10013 1 244 . 1 1 28 28 SER HB3 H 1 3.764 0.030 . 2 . . . . 28 SER HB3 . 10013 1 245 . 1 1 28 28 SER C C 13 173.200 0.300 . 1 . . . . 28 SER C . 10013 1 246 . 1 1 28 28 SER CA C 13 59.765 0.300 . 1 . . . . 28 SER CA . 10013 1 247 . 1 1 28 28 SER CB C 13 63.911 0.300 . 1 . . . . 28 SER CB . 10013 1 248 . 1 1 28 28 SER N N 15 118.296 0.300 . 1 . . . . 28 SER N . 10013 1 249 . 1 1 29 29 LEU H H 1 8.241 0.030 . 1 . . . . 29 LEU H . 10013 1 250 . 1 1 29 29 LEU HA H 1 4.610 0.030 . 1 . . . . 29 LEU HA . 10013 1 251 . 1 1 29 29 LEU HB2 H 1 0.965 0.030 . 2 . . . . 29 LEU HB2 . 10013 1 252 . 1 1 29 29 LEU HB3 H 1 1.574 0.030 . 2 . . . . 29 LEU HB3 . 10013 1 253 . 1 1 29 29 LEU HG H 1 1.472 0.030 . 1 . . . . 29 LEU HG . 10013 1 254 . 1 1 29 29 LEU HD11 H 1 0.248 0.030 . 1 . . . . 29 LEU HD1 . 10013 1 255 . 1 1 29 29 LEU HD12 H 1 0.248 0.030 . 1 . . . . 29 LEU HD1 . 10013 1 256 . 1 1 29 29 LEU HD13 H 1 0.248 0.030 . 1 . . . . 29 LEU HD1 . 10013 1 257 . 1 1 29 29 LEU HD21 H 1 0.724 0.030 . 1 . . . . 29 LEU HD2 . 10013 1 258 . 1 1 29 29 LEU HD22 H 1 0.724 0.030 . 1 . . . . 29 LEU HD2 . 10013 1 259 . 1 1 29 29 LEU HD23 H 1 0.724 0.030 . 1 . . . . 29 LEU HD2 . 10013 1 260 . 1 1 29 29 LEU C C 13 176.568 0.300 . 1 . . . . 29 LEU C . 10013 1 261 . 1 1 29 29 LEU CA C 13 53.219 0.300 . 1 . . . . 29 LEU CA . 10013 1 262 . 1 1 29 29 LEU CB C 13 45.105 0.300 . 1 . . . . 29 LEU CB . 10013 1 263 . 1 1 29 29 LEU CG C 13 26.150 0.300 . 1 . . . . 29 LEU CG . 10013 1 264 . 1 1 29 29 LEU CD1 C 13 23.616 0.300 . 2 . . . . 29 LEU CD1 . 10013 1 265 . 1 1 29 29 LEU CD2 C 13 25.912 0.300 . 2 . . . . 29 LEU CD2 . 10013 1 266 . 1 1 29 29 LEU N N 15 122.860 0.300 . 1 . . . . 29 LEU N . 10013 1 267 . 1 1 30 30 PHE H H 1 9.175 0.030 . 1 . . . . 30 PHE H . 10013 1 268 . 1 1 30 30 PHE HA H 1 4.979 0.030 . 1 . . . . 30 PHE HA . 10013 1 269 . 1 1 30 30 PHE HB2 H 1 2.785 0.030 . 2 . . . . 30 PHE HB2 . 10013 1 270 . 1 1 30 30 PHE HB3 H 1 2.838 0.030 . 2 . . . . 30 PHE HB3 . 10013 1 271 . 1 1 30 30 PHE HD1 H 1 7.063 0.030 . 1 . . . . 30 PHE HD1 . 10013 1 272 . 1 1 30 30 PHE HD2 H 1 7.063 0.030 . 1 . . . . 30 PHE HD2 . 10013 1 273 . 1 1 30 30 PHE HE1 H 1 7.087 0.030 . 1 . . . . 30 PHE HE1 . 10013 1 274 . 1 1 30 30 PHE HE2 H 1 7.087 0.030 . 1 . . . . 30 PHE HE2 . 10013 1 275 . 1 1 30 30 PHE HZ H 1 7.105 0.030 . 1 . . . . 30 PHE HZ . 10013 1 276 . 1 1 30 30 PHE C C 13 174.169 0.300 . 1 . . . . 30 PHE C . 10013 1 277 . 1 1 30 30 PHE CA C 13 54.906 0.300 . 1 . . . . 30 PHE CA . 10013 1 278 . 1 1 30 30 PHE CB C 13 40.369 0.300 . 1 . . . . 30 PHE CB . 10013 1 279 . 1 1 30 30 PHE CD1 C 13 131.906 0.300 . 1 . . . . 30 PHE CD1 . 10013 1 280 . 1 1 30 30 PHE CD2 C 13 131.906 0.300 . 1 . . . . 30 PHE CD2 . 10013 1 281 . 1 1 30 30 PHE CE1 C 13 131.130 0.300 . 1 . . . . 30 PHE CE1 . 10013 1 282 . 1 1 30 30 PHE CE2 C 13 131.130 0.300 . 1 . . . . 30 PHE CE2 . 10013 1 283 . 1 1 30 30 PHE CZ C 13 129.370 0.300 . 1 . . . . 30 PHE CZ . 10013 1 284 . 1 1 30 30 PHE N N 15 122.374 0.300 . 1 . . . . 30 PHE N . 10013 1 285 . 1 1 31 31 PRO HA H 1 4.724 0.030 . 1 . . . . 31 PRO HA . 10013 1 286 . 1 1 31 31 PRO HB2 H 1 2.356 0.030 . 2 . . . . 31 PRO HB2 . 10013 1 287 . 1 1 31 31 PRO HB3 H 1 2.046 0.030 . 2 . . . . 31 PRO HB3 . 10013 1 288 . 1 1 31 31 PRO HG2 H 1 1.832 0.030 . 2 . . . . 31 PRO HG2 . 10013 1 289 . 1 1 31 31 PRO HG3 H 1 1.922 0.030 . 2 . . . . 31 PRO HG3 . 10013 1 290 . 1 1 31 31 PRO HD2 H 1 3.577 0.030 . 2 . . . . 31 PRO HD2 . 10013 1 291 . 1 1 31 31 PRO HD3 H 1 3.474 0.030 . 2 . . . . 31 PRO HD3 . 10013 1 292 . 1 1 31 31 PRO C C 13 176.524 0.300 . 1 . . . . 31 PRO C . 10013 1 293 . 1 1 31 31 PRO CA C 13 62.379 0.300 . 1 . . . . 31 PRO CA . 10013 1 294 . 1 1 31 31 PRO CB C 13 34.325 0.300 . 1 . . . . 31 PRO CB . 10013 1 295 . 1 1 31 31 PRO CG C 13 24.840 0.300 . 1 . . . . 31 PRO CG . 10013 1 296 . 1 1 31 31 PRO CD C 13 50.161 0.300 . 1 . . . . 31 PRO CD . 10013 1 297 . 1 1 32 32 CYS H H 1 8.430 0.030 . 1 . . . . 32 CYS H . 10013 1 298 . 1 1 32 32 CYS HA H 1 4.964 0.030 . 1 . . . . 32 CYS HA . 10013 1 299 . 1 1 32 32 CYS HB2 H 1 2.725 0.030 . 2 . . . . 32 CYS HB2 . 10013 1 300 . 1 1 32 32 CYS HB3 H 1 3.184 0.030 . 2 . . . . 32 CYS HB3 . 10013 1 301 . 1 1 32 32 CYS C C 13 176.540 0.300 . 1 . . . . 32 CYS C . 10013 1 302 . 1 1 32 32 CYS CA C 13 63.092 0.300 . 1 . . . . 32 CYS CA . 10013 1 303 . 1 1 32 32 CYS CB C 13 30.997 0.300 . 1 . . . . 32 CYS CB . 10013 1 304 . 1 1 32 32 CYS N N 15 122.134 0.300 . 1 . . . . 32 CYS N . 10013 1 305 . 1 1 33 33 ARG H H 1 7.389 0.030 . 1 . . . . 33 ARG H . 10013 1 306 . 1 1 33 33 ARG HA H 1 4.675 0.030 . 1 . . . . 33 ARG HA . 10013 1 307 . 1 1 33 33 ARG HB2 H 1 1.744 0.030 . 2 . . . . 33 ARG HB2 . 10013 1 308 . 1 1 33 33 ARG HB3 H 1 1.840 0.030 . 2 . . . . 33 ARG HB3 . 10013 1 309 . 1 1 33 33 ARG HG2 H 1 1.637 0.030 . 2 . . . . 33 ARG HG2 . 10013 1 310 . 1 1 33 33 ARG HG3 H 1 1.697 0.030 . 2 . . . . 33 ARG HG3 . 10013 1 311 . 1 1 33 33 ARG HD2 H 1 3.132 0.030 . 2 . . . . 33 ARG HD2 . 10013 1 312 . 1 1 33 33 ARG HD3 H 1 3.216 0.030 . 2 . . . . 33 ARG HD3 . 10013 1 313 . 1 1 33 33 ARG C C 13 174.944 0.300 . 1 . . . . 33 ARG C . 10013 1 314 . 1 1 33 33 ARG CA C 13 55.682 0.300 . 1 . . . . 33 ARG CA . 10013 1 315 . 1 1 33 33 ARG CB C 13 31.068 0.300 . 1 . . . . 33 ARG CB . 10013 1 316 . 1 1 33 33 ARG CG C 13 27.088 0.300 . 1 . . . . 33 ARG CG . 10013 1 317 . 1 1 33 33 ARG CD C 13 43.355 0.300 . 1 . . . . 33 ARG CD . 10013 1 318 . 1 1 34 34 VAL H H 1 8.387 0.030 . 1 . . . . 34 VAL H . 10013 1 319 . 1 1 34 34 VAL HA H 1 4.030 0.030 . 1 . . . . 34 VAL HA . 10013 1 320 . 1 1 34 34 VAL HB H 1 2.773 0.030 . 1 . . . . 34 VAL HB . 10013 1 321 . 1 1 34 34 VAL HG11 H 1 0.952 0.030 . 1 . . . . 34 VAL HG1 . 10013 1 322 . 1 1 34 34 VAL HG12 H 1 0.952 0.030 . 1 . . . . 34 VAL HG1 . 10013 1 323 . 1 1 34 34 VAL HG13 H 1 0.952 0.030 . 1 . . . . 34 VAL HG1 . 10013 1 324 . 1 1 34 34 VAL HG21 H 1 0.900 0.030 . 1 . . . . 34 VAL HG2 . 10013 1 325 . 1 1 34 34 VAL HG22 H 1 0.900 0.030 . 1 . . . . 34 VAL HG2 . 10013 1 326 . 1 1 34 34 VAL HG23 H 1 0.900 0.030 . 1 . . . . 34 VAL HG2 . 10013 1 327 . 1 1 34 34 VAL C C 13 176.191 0.300 . 1 . . . . 34 VAL C . 10013 1 328 . 1 1 34 34 VAL CA C 13 65.275 0.300 . 1 . . . . 34 VAL CA . 10013 1 329 . 1 1 34 34 VAL CB C 13 32.480 0.300 . 1 . . . . 34 VAL CB . 10013 1 330 . 1 1 34 34 VAL CG1 C 13 22.042 0.300 . 2 . . . . 34 VAL CG1 . 10013 1 331 . 1 1 34 34 VAL CG2 C 13 21.882 0.300 . 2 . . . . 34 VAL CG2 . 10013 1 332 . 1 1 34 34 VAL N N 15 121.234 0.300 . 1 . . . . 34 VAL N . 10013 1 333 . 1 1 35 35 CYS H H 1 8.443 0.030 . 1 . . . . 35 CYS H . 10013 1 334 . 1 1 35 35 CYS HB2 H 1 2.773 0.030 . 2 . . . . 35 CYS HB2 . 10013 1 335 . 1 1 35 35 CYS HB3 H 1 3.386 0.030 . 2 . . . . 35 CYS HB3 . 10013 1 336 . 1 1 35 35 CYS CB C 13 31.652 0.300 . 1 . . . . 35 CYS CB . 10013 1 337 . 1 1 36 36 THR H H 1 7.398 0.030 . 1 . . . . 36 THR H . 10013 1 338 . 1 1 36 36 THR HA H 1 4.411 0.030 . 1 . . . . 36 THR HA . 10013 1 339 . 1 1 36 36 THR HB H 1 4.579 0.030 . 1 . . . . 36 THR HB . 10013 1 340 . 1 1 36 36 THR HG21 H 1 1.160 0.030 . 1 . . . . 36 THR HG2 . 10013 1 341 . 1 1 36 36 THR HG22 H 1 1.160 0.030 . 1 . . . . 36 THR HG2 . 10013 1 342 . 1 1 36 36 THR HG23 H 1 1.160 0.030 . 1 . . . . 36 THR HG2 . 10013 1 343 . 1 1 36 36 THR C C 13 174.727 0.300 . 1 . . . . 36 THR C . 10013 1 344 . 1 1 36 36 THR CA C 13 61.543 0.300 . 1 . . . . 36 THR CA . 10013 1 345 . 1 1 36 36 THR CB C 13 69.285 0.300 . 1 . . . . 36 THR CB . 10013 1 346 . 1 1 36 36 THR CG2 C 13 21.807 0.300 . 1 . . . . 36 THR CG2 . 10013 1 347 . 1 1 37 37 ARG H H 1 8.957 0.030 . 1 . . . . 37 ARG H . 10013 1 348 . 1 1 37 37 ARG HA H 1 4.086 0.030 . 1 . . . . 37 ARG HA . 10013 1 349 . 1 1 37 37 ARG HB2 H 1 1.216 0.030 . 2 . . . . 37 ARG HB2 . 10013 1 350 . 1 1 37 37 ARG HB3 H 1 1.812 0.030 . 2 . . . . 37 ARG HB3 . 10013 1 351 . 1 1 37 37 ARG HG2 H 1 1.460 0.030 . 2 . . . . 37 ARG HG2 . 10013 1 352 . 1 1 37 37 ARG HG3 H 1 1.928 0.030 . 2 . . . . 37 ARG HG3 . 10013 1 353 . 1 1 37 37 ARG HD2 H 1 2.831 0.030 . 2 . . . . 37 ARG HD2 . 10013 1 354 . 1 1 37 37 ARG HD3 H 1 3.163 0.030 . 2 . . . . 37 ARG HD3 . 10013 1 355 . 1 1 37 37 ARG C C 13 175.445 0.300 . 1 . . . . 37 ARG C . 10013 1 356 . 1 1 37 37 ARG CB C 13 32.474 0.300 . 1 . . . . 37 ARG CB . 10013 1 357 . 1 1 37 37 ARG CG C 13 30.001 0.300 . 1 . . . . 37 ARG CG . 10013 1 358 . 1 1 37 37 ARG CD C 13 44.697 0.300 . 1 . . . . 37 ARG CD . 10013 1 359 . 1 1 37 37 ARG N N 15 124.330 0.300 . 1 . . . . 37 ARG N . 10013 1 360 . 1 1 38 38 VAL H H 1 8.243 0.030 . 1 . . . . 38 VAL H . 10013 1 361 . 1 1 38 38 VAL HA H 1 5.239 0.030 . 1 . . . . 38 VAL HA . 10013 1 362 . 1 1 38 38 VAL HB H 1 1.674 0.030 . 1 . . . . 38 VAL HB . 10013 1 363 . 1 1 38 38 VAL HG11 H 1 0.733 0.030 . 1 . . . . 38 VAL HG1 . 10013 1 364 . 1 1 38 38 VAL HG12 H 1 0.733 0.030 . 1 . . . . 38 VAL HG1 . 10013 1 365 . 1 1 38 38 VAL HG13 H 1 0.733 0.030 . 1 . . . . 38 VAL HG1 . 10013 1 366 . 1 1 38 38 VAL HG21 H 1 0.426 0.030 . 1 . . . . 38 VAL HG2 . 10013 1 367 . 1 1 38 38 VAL HG22 H 1 0.426 0.030 . 1 . . . . 38 VAL HG2 . 10013 1 368 . 1 1 38 38 VAL HG23 H 1 0.426 0.030 . 1 . . . . 38 VAL HG2 . 10013 1 369 . 1 1 38 38 VAL C C 13 174.896 0.300 . 1 . . . . 38 VAL C . 10013 1 370 . 1 1 38 38 VAL CA C 13 58.634 0.300 . 1 . . . . 38 VAL CA . 10013 1 371 . 1 1 38 38 VAL CB C 13 35.305 0.300 . 1 . . . . 38 VAL CB . 10013 1 372 . 1 1 38 38 VAL CG1 C 13 21.628 0.300 . 2 . . . . 38 VAL CG1 . 10013 1 373 . 1 1 38 38 VAL CG2 C 13 19.483 0.300 . 2 . . . . 38 VAL CG2 . 10013 1 374 . 1 1 38 38 VAL N N 15 111.480 0.300 . 1 . . . . 38 VAL N . 10013 1 375 . 1 1 39 39 PHE H H 1 8.383 0.030 . 1 . . . . 39 PHE H . 10013 1 376 . 1 1 39 39 PHE HA H 1 5.417 0.030 . 1 . . . . 39 PHE HA . 10013 1 377 . 1 1 39 39 PHE HB2 H 1 2.683 0.030 . 2 . . . . 39 PHE HB2 . 10013 1 378 . 1 1 39 39 PHE HB3 H 1 3.032 0.030 . 2 . . . . 39 PHE HB3 . 10013 1 379 . 1 1 39 39 PHE HD1 H 1 7.515 0.030 . 1 . . . . 39 PHE HD1 . 10013 1 380 . 1 1 39 39 PHE HD2 H 1 7.515 0.030 . 1 . . . . 39 PHE HD2 . 10013 1 381 . 1 1 39 39 PHE HE1 H 1 7.465 0.030 . 1 . . . . 39 PHE HE1 . 10013 1 382 . 1 1 39 39 PHE HE2 H 1 7.465 0.030 . 1 . . . . 39 PHE HE2 . 10013 1 383 . 1 1 39 39 PHE HZ H 1 7.516 0.030 . 1 . . . . 39 PHE HZ . 10013 1 384 . 1 1 39 39 PHE C C 13 176.628 0.300 . 1 . . . . 39 PHE C . 10013 1 385 . 1 1 39 39 PHE CA C 13 56.755 0.300 . 1 . . . . 39 PHE CA . 10013 1 386 . 1 1 39 39 PHE CB C 13 45.062 0.300 . 1 . . . . 39 PHE CB . 10013 1 387 . 1 1 39 39 PHE CD1 C 13 132.976 0.300 . 1 . . . . 39 PHE CD1 . 10013 1 388 . 1 1 39 39 PHE CD2 C 13 132.976 0.300 . 1 . . . . 39 PHE CD2 . 10013 1 389 . 1 1 39 39 PHE CE1 C 13 131.734 0.300 . 1 . . . . 39 PHE CE1 . 10013 1 390 . 1 1 39 39 PHE CE2 C 13 131.734 0.300 . 1 . . . . 39 PHE CE2 . 10013 1 391 . 1 1 39 39 PHE CZ C 13 129.750 0.300 . 1 . . . . 39 PHE CZ . 10013 1 392 . 1 1 39 39 PHE N N 15 114.246 0.300 . 1 . . . . 39 PHE N . 10013 1 393 . 1 1 40 40 HIS H H 1 9.277 0.030 . 1 . . . . 40 HIS H . 10013 1 394 . 1 1 40 40 HIS HA H 1 5.250 0.030 . 1 . . . . 40 HIS HA . 10013 1 395 . 1 1 40 40 HIS HB2 H 1 3.577 0.030 . 2 . . . . 40 HIS HB2 . 10013 1 396 . 1 1 40 40 HIS HB3 H 1 3.618 0.030 . 2 . . . . 40 HIS HB3 . 10013 1 397 . 1 1 40 40 HIS HD2 H 1 7.003 0.030 . 1 . . . . 40 HIS HD2 . 10013 1 398 . 1 1 40 40 HIS HE1 H 1 7.885 0.030 . 1 . . . . 40 HIS HE1 . 10013 1 399 . 1 1 40 40 HIS C C 13 177.306 0.300 . 1 . . . . 40 HIS C . 10013 1 400 . 1 1 40 40 HIS CA C 13 56.652 0.300 . 1 . . . . 40 HIS CA . 10013 1 401 . 1 1 40 40 HIS CB C 13 32.490 0.300 . 1 . . . . 40 HIS CB . 10013 1 402 . 1 1 40 40 HIS CD2 C 13 119.012 0.300 . 1 . . . . 40 HIS CD2 . 10013 1 403 . 1 1 40 40 HIS CE1 C 13 139.052 0.300 . 1 . . . . 40 HIS CE1 . 10013 1 404 . 1 1 40 40 HIS N N 15 122.624 0.300 . 1 . . . . 40 HIS N . 10013 1 405 . 1 1 41 41 ASP H H 1 9.581 0.030 . 1 . . . . 41 ASP H . 10013 1 406 . 1 1 41 41 ASP HA H 1 4.146 0.030 . 1 . . . . 41 ASP HA . 10013 1 407 . 1 1 41 41 ASP HB2 H 1 2.578 0.030 . 2 . . . . 41 ASP HB2 . 10013 1 408 . 1 1 41 41 ASP HB3 H 1 2.633 0.030 . 2 . . . . 41 ASP HB3 . 10013 1 409 . 1 1 41 41 ASP C C 13 178.603 0.300 . 1 . . . . 41 ASP C . 10013 1 410 . 1 1 41 41 ASP CA C 13 58.314 0.300 . 1 . . . . 41 ASP CA . 10013 1 411 . 1 1 41 41 ASP CB C 13 41.958 0.300 . 1 . . . . 41 ASP CB . 10013 1 412 . 1 1 41 41 ASP N N 15 125.344 0.300 . 1 . . . . 41 ASP N . 10013 1 413 . 1 1 42 42 GLY H H 1 9.219 0.030 . 1 . . . . 42 GLY H . 10013 1 414 . 1 1 42 42 GLY HA2 H 1 3.732 0.030 . 2 . . . . 42 GLY HA2 . 10013 1 415 . 1 1 42 42 GLY HA3 H 1 4.120 0.030 . 2 . . . . 42 GLY HA3 . 10013 1 416 . 1 1 42 42 GLY C C 13 177.367 0.300 . 1 . . . . 42 GLY C . 10013 1 417 . 1 1 42 42 GLY CA C 13 47.222 0.300 . 1 . . . . 42 GLY CA . 10013 1 418 . 1 1 42 42 GLY N N 15 104.862 0.300 . 1 . . . . 42 GLY N . 10013 1 419 . 1 1 43 43 CYS H H 1 6.829 0.030 . 1 . . . . 43 CYS H . 10013 1 420 . 1 1 43 43 CYS HA H 1 4.172 0.030 . 1 . . . . 43 CYS HA . 10013 1 421 . 1 1 43 43 CYS HB2 H 1 2.999 0.030 . 2 . . . . 43 CYS HB2 . 10013 1 422 . 1 1 43 43 CYS HB3 H 1 3.130 0.030 . 2 . . . . 43 CYS HB3 . 10013 1 423 . 1 1 43 43 CYS C C 13 177.294 0.300 . 1 . . . . 43 CYS C . 10013 1 424 . 1 1 43 43 CYS CA C 13 63.799 0.300 . 1 . . . . 43 CYS CA . 10013 1 425 . 1 1 43 43 CYS CB C 13 29.064 0.300 . 1 . . . . 43 CYS CB . 10013 1 426 . 1 1 43 43 CYS N N 15 121.075 0.300 . 1 . . . . 43 CYS N . 10013 1 427 . 1 1 44 44 LEU H H 1 7.857 0.030 . 1 . . . . 44 LEU H . 10013 1 428 . 1 1 44 44 LEU HA H 1 4.095 0.030 . 1 . . . . 44 LEU HA . 10013 1 429 . 1 1 44 44 LEU HB2 H 1 2.050 0.030 . 2 . . . . 44 LEU HB2 . 10013 1 430 . 1 1 44 44 LEU HB3 H 1 1.263 0.030 . 2 . . . . 44 LEU HB3 . 10013 1 431 . 1 1 44 44 LEU HG H 1 1.862 0.030 . 1 . . . . 44 LEU HG . 10013 1 432 . 1 1 44 44 LEU HD11 H 1 0.430 0.030 . 1 . . . . 44 LEU HD1 . 10013 1 433 . 1 1 44 44 LEU HD12 H 1 0.430 0.030 . 1 . . . . 44 LEU HD1 . 10013 1 434 . 1 1 44 44 LEU HD13 H 1 0.430 0.030 . 1 . . . . 44 LEU HD1 . 10013 1 435 . 1 1 44 44 LEU HD21 H 1 0.662 0.030 . 1 . . . . 44 LEU HD2 . 10013 1 436 . 1 1 44 44 LEU HD22 H 1 0.662 0.030 . 1 . . . . 44 LEU HD2 . 10013 1 437 . 1 1 44 44 LEU HD23 H 1 0.662 0.030 . 1 . . . . 44 LEU HD2 . 10013 1 438 . 1 1 44 44 LEU C C 13 179.693 0.300 . 1 . . . . 44 LEU C . 10013 1 439 . 1 1 44 44 LEU CA C 13 58.021 0.300 . 1 . . . . 44 LEU CA . 10013 1 440 . 1 1 44 44 LEU CB C 13 41.919 0.300 . 1 . . . . 44 LEU CB . 10013 1 441 . 1 1 44 44 LEU CG C 13 26.854 0.300 . 1 . . . . 44 LEU CG . 10013 1 442 . 1 1 44 44 LEU CD1 C 13 26.145 0.300 . 2 . . . . 44 LEU CD1 . 10013 1 443 . 1 1 44 44 LEU CD2 C 13 23.800 0.300 . 2 . . . . 44 LEU CD2 . 10013 1 444 . 1 1 44 44 LEU N N 15 118.611 0.300 . 1 . . . . 44 LEU N . 10013 1 445 . 1 1 45 45 ARG H H 1 8.161 0.030 . 1 . . . . 45 ARG H . 10013 1 446 . 1 1 45 45 ARG HA H 1 4.133 0.030 . 1 . . . . 45 ARG HA . 10013 1 447 . 1 1 45 45 ARG HB2 H 1 1.807 0.030 . 2 . . . . 45 ARG HB2 . 10013 1 448 . 1 1 45 45 ARG HB3 H 1 1.856 0.030 . 2 . . . . 45 ARG HB3 . 10013 1 449 . 1 1 45 45 ARG HG2 H 1 1.505 0.030 . 2 . . . . 45 ARG HG2 . 10013 1 450 . 1 1 45 45 ARG HG3 H 1 1.709 0.030 . 2 . . . . 45 ARG HG3 . 10013 1 451 . 1 1 45 45 ARG HD2 H 1 3.018 0.030 . 2 . . . . 45 ARG HD2 . 10013 1 452 . 1 1 45 45 ARG HD3 H 1 3.203 0.030 . 2 . . . . 45 ARG HD3 . 10013 1 453 . 1 1 45 45 ARG C C 13 179.935 0.300 . 1 . . . . 45 ARG C . 10013 1 454 . 1 1 45 45 ARG CA C 13 59.276 0.300 . 1 . . . . 45 ARG CA . 10013 1 455 . 1 1 45 45 ARG CB C 13 30.061 0.300 . 1 . . . . 45 ARG CB . 10013 1 456 . 1 1 45 45 ARG CG C 13 28.715 0.300 . 1 . . . . 45 ARG CG . 10013 1 457 . 1 1 45 45 ARG CD C 13 43.108 0.300 . 1 . . . . 45 ARG CD . 10013 1 458 . 1 1 45 45 ARG N N 15 118.390 0.300 . 1 . . . . 45 ARG N . 10013 1 459 . 1 1 46 46 ARG H H 1 8.108 0.030 . 1 . . . . 46 ARG H . 10013 1 460 . 1 1 46 46 ARG HA H 1 4.080 0.030 . 1 . . . . 46 ARG HA . 10013 1 461 . 1 1 46 46 ARG HB2 H 1 1.885 0.030 . 2 . . . . 46 ARG HB2 . 10013 1 462 . 1 1 46 46 ARG HB3 H 1 1.986 0.030 . 2 . . . . 46 ARG HB3 . 10013 1 463 . 1 1 46 46 ARG HG2 H 1 1.630 0.030 . 2 . . . . 46 ARG HG2 . 10013 1 464 . 1 1 46 46 ARG HG3 H 1 1.743 0.030 . 2 . . . . 46 ARG HG3 . 10013 1 465 . 1 1 46 46 ARG HD2 H 1 3.143 0.030 . 2 . . . . 46 ARG HD2 . 10013 1 466 . 1 1 46 46 ARG HD3 H 1 3.224 0.030 . 2 . . . . 46 ARG HD3 . 10013 1 467 . 1 1 46 46 ARG C C 13 178.070 0.300 . 1 . . . . 46 ARG C . 10013 1 468 . 1 1 46 46 ARG CA C 13 59.060 0.300 . 1 . . . . 46 ARG CA . 10013 1 469 . 1 1 46 46 ARG CB C 13 30.200 0.300 . 1 . . . . 46 ARG CB . 10013 1 470 . 1 1 46 46 ARG CG C 13 27.815 0.300 . 1 . . . . 46 ARG CG . 10013 1 471 . 1 1 46 46 ARG CD C 13 43.438 0.300 . 1 . . . . 46 ARG CD . 10013 1 472 . 1 1 46 46 ARG N N 15 120.653 0.300 . 1 . . . . 46 ARG N . 10013 1 473 . 1 1 47 47 MET H H 1 7.405 0.030 . 1 . . . . 47 MET H . 10013 1 474 . 1 1 47 47 MET HA H 1 4.445 0.030 . 1 . . . . 47 MET HA . 10013 1 475 . 1 1 47 47 MET HB2 H 1 1.753 0.030 . 1 . . . . 47 MET HB2 . 10013 1 476 . 1 1 47 47 MET HB3 H 1 1.753 0.030 . 1 . . . . 47 MET HB3 . 10013 1 477 . 1 1 47 47 MET HG2 H 1 2.635 0.030 . 1 . . . . 47 MET HG2 . 10013 1 478 . 1 1 47 47 MET HG3 H 1 2.635 0.030 . 1 . . . . 47 MET HG3 . 10013 1 479 . 1 1 47 47 MET HE1 H 1 2.010 0.030 . 1 . . . . 47 MET HE . 10013 1 480 . 1 1 47 47 MET HE2 H 1 2.010 0.030 . 1 . . . . 47 MET HE . 10013 1 481 . 1 1 47 47 MET HE3 H 1 2.010 0.030 . 1 . . . . 47 MET HE . 10013 1 482 . 1 1 47 47 MET C C 13 176.446 0.300 . 1 . . . . 47 MET C . 10013 1 483 . 1 1 47 47 MET CA C 13 54.537 0.300 . 1 . . . . 47 MET CA . 10013 1 484 . 1 1 47 47 MET CB C 13 31.994 0.300 . 1 . . . . 47 MET CB . 10013 1 485 . 1 1 47 47 MET CG C 13 32.539 0.300 . 1 . . . . 47 MET CG . 10013 1 486 . 1 1 47 47 MET CE C 13 16.650 0.300 . 1 . . . . 47 MET CE . 10013 1 487 . 1 1 47 47 MET N N 15 114.331 0.300 . 1 . . . . 47 MET N . 10013 1 488 . 1 1 48 48 GLY H H 1 7.633 0.030 . 1 . . . . 48 GLY H . 10013 1 489 . 1 1 48 48 GLY HA2 H 1 3.759 0.030 . 2 . . . . 48 GLY HA2 . 10013 1 490 . 1 1 48 48 GLY HA3 H 1 3.992 0.030 . 2 . . . . 48 GLY HA3 . 10013 1 491 . 1 1 48 48 GLY C C 13 174.593 0.300 . 1 . . . . 48 GLY C . 10013 1 492 . 1 1 48 48 GLY CA C 13 45.579 0.300 . 1 . . . . 48 GLY CA . 10013 1 493 . 1 1 48 48 GLY N N 15 105.917 0.300 . 1 . . . . 48 GLY N . 10013 1 494 . 1 1 49 49 TYR H H 1 7.854 0.030 . 1 . . . . 49 TYR H . 10013 1 495 . 1 1 49 49 TYR HA H 1 4.544 0.030 . 1 . . . . 49 TYR HA . 10013 1 496 . 1 1 49 49 TYR HB2 H 1 2.705 0.030 . 2 . . . . 49 TYR HB2 . 10013 1 497 . 1 1 49 49 TYR HB3 H 1 3.153 0.030 . 2 . . . . 49 TYR HB3 . 10013 1 498 . 1 1 49 49 TYR HD1 H 1 6.858 0.030 . 1 . . . . 49 TYR HD1 . 10013 1 499 . 1 1 49 49 TYR HD2 H 1 6.858 0.030 . 1 . . . . 49 TYR HD2 . 10013 1 500 . 1 1 49 49 TYR HE1 H 1 6.544 0.030 . 1 . . . . 49 TYR HE1 . 10013 1 501 . 1 1 49 49 TYR HE2 H 1 6.544 0.030 . 1 . . . . 49 TYR HE2 . 10013 1 502 . 1 1 49 49 TYR C C 13 175.986 0.300 . 1 . . . . 49 TYR C . 10013 1 503 . 1 1 49 49 TYR CA C 13 57.890 0.300 . 1 . . . . 49 TYR CA . 10013 1 504 . 1 1 49 49 TYR CB C 13 38.299 0.300 . 1 . . . . 49 TYR CB . 10013 1 505 . 1 1 49 49 TYR CD1 C 13 131.810 0.300 . 1 . . . . 49 TYR CD1 . 10013 1 506 . 1 1 49 49 TYR CD2 C 13 131.810 0.300 . 1 . . . . 49 TYR CD2 . 10013 1 507 . 1 1 49 49 TYR CE1 C 13 117.979 0.300 . 1 . . . . 49 TYR CE1 . 10013 1 508 . 1 1 49 49 TYR CE2 C 13 117.979 0.300 . 1 . . . . 49 TYR CE2 . 10013 1 509 . 1 1 49 49 TYR N N 15 118.683 0.300 . 1 . . . . 49 TYR N . 10013 1 510 . 1 1 50 50 ILE H H 1 7.432 0.030 . 1 . . . . 50 ILE H . 10013 1 511 . 1 1 50 50 ILE HA H 1 4.300 0.030 . 1 . . . . 50 ILE HA . 10013 1 512 . 1 1 50 50 ILE HB H 1 1.663 0.030 . 1 . . . . 50 ILE HB . 10013 1 513 . 1 1 50 50 ILE HG12 H 1 0.915 0.030 . 2 . . . . 50 ILE HG12 . 10013 1 514 . 1 1 50 50 ILE HG13 H 1 1.274 0.030 . 2 . . . . 50 ILE HG13 . 10013 1 515 . 1 1 50 50 ILE HG21 H 1 0.793 0.030 . 1 . . . . 50 ILE HG2 . 10013 1 516 . 1 1 50 50 ILE HG22 H 1 0.793 0.030 . 1 . . . . 50 ILE HG2 . 10013 1 517 . 1 1 50 50 ILE HG23 H 1 0.793 0.030 . 1 . . . . 50 ILE HG2 . 10013 1 518 . 1 1 50 50 ILE HD11 H 1 0.682 0.030 . 1 . . . . 50 ILE HD1 . 10013 1 519 . 1 1 50 50 ILE HD12 H 1 0.682 0.030 . 1 . . . . 50 ILE HD1 . 10013 1 520 . 1 1 50 50 ILE HD13 H 1 0.682 0.030 . 1 . . . . 50 ILE HD1 . 10013 1 521 . 1 1 50 50 ILE C C 13 175.113 0.300 . 1 . . . . 50 ILE C . 10013 1 522 . 1 1 50 50 ILE CA C 13 60.247 0.300 . 1 . . . . 50 ILE CA . 10013 1 523 . 1 1 50 50 ILE CB C 13 39.943 0.300 . 1 . . . . 50 ILE CB . 10013 1 524 . 1 1 50 50 ILE CG1 C 13 26.801 0.300 . 1 . . . . 50 ILE CG1 . 10013 1 525 . 1 1 50 50 ILE CG2 C 13 17.455 0.300 . 1 . . . . 50 ILE CG2 . 10013 1 526 . 1 1 50 50 ILE CD1 C 13 13.133 0.300 . 1 . . . . 50 ILE CD1 . 10013 1 527 . 1 1 50 50 ILE N N 15 117.229 0.300 . 1 . . . . 50 ILE N . 10013 1 528 . 1 1 51 51 GLN H H 1 8.559 0.030 . 1 . . . . 51 GLN H . 10013 1 529 . 1 1 51 51 GLN HA H 1 4.339 0.030 . 1 . . . . 51 GLN HA . 10013 1 530 . 1 1 51 51 GLN HB2 H 1 1.941 0.030 . 2 . . . . 51 GLN HB2 . 10013 1 531 . 1 1 51 51 GLN HB3 H 1 2.066 0.030 . 2 . . . . 51 GLN HB3 . 10013 1 532 . 1 1 51 51 GLN HG2 H 1 2.283 0.030 . 1 . . . . 51 GLN HG2 . 10013 1 533 . 1 1 51 51 GLN HG3 H 1 2.283 0.030 . 1 . . . . 51 GLN HG3 . 10013 1 534 . 1 1 51 51 GLN HE21 H 1 6.747 0.030 . 2 . . . . 51 GLN HE21 . 10013 1 535 . 1 1 51 51 GLN HE22 H 1 7.504 0.030 . 2 . . . . 51 GLN HE22 . 10013 1 536 . 1 1 51 51 GLN C C 13 176.083 0.300 . 1 . . . . 51 GLN C . 10013 1 537 . 1 1 51 51 GLN CA C 13 55.647 0.300 . 1 . . . . 51 GLN CA . 10013 1 538 . 1 1 51 51 GLN CB C 13 30.046 0.300 . 1 . . . . 51 GLN CB . 10013 1 539 . 1 1 51 51 GLN CG C 13 33.735 0.300 . 1 . . . . 51 GLN CG . 10013 1 540 . 1 1 51 51 GLN N N 15 123.546 0.300 . 1 . . . . 51 GLN N . 10013 1 541 . 1 1 51 51 GLN NE2 N 15 112.425 0.300 . 1 . . . . 51 GLN NE2 . 10013 1 542 . 1 1 52 52 GLY H H 1 8.432 0.030 . 1 . . . . 52 GLY H . 10013 1 543 . 1 1 52 52 GLY HA2 H 1 3.914 0.030 . 2 . . . . 52 GLY HA2 . 10013 1 544 . 1 1 52 52 GLY HA3 H 1 3.986 0.030 . 2 . . . . 52 GLY HA3 . 10013 1 545 . 1 1 52 52 GLY C C 13 173.927 0.300 . 1 . . . . 52 GLY C . 10013 1 546 . 1 1 52 52 GLY CA C 13 45.410 0.300 . 1 . . . . 52 GLY CA . 10013 1 547 . 1 1 52 52 GLY N N 15 109.873 0.300 . 1 . . . . 52 GLY N . 10013 1 548 . 1 1 53 53 ASP H H 1 8.357 0.030 . 1 . . . . 53 ASP H . 10013 1 549 . 1 1 53 53 ASP HA H 1 4.602 0.030 . 1 . . . . 53 ASP HA . 10013 1 550 . 1 1 53 53 ASP HB2 H 1 2.697 0.030 . 2 . . . . 53 ASP HB2 . 10013 1 551 . 1 1 53 53 ASP HB3 H 1 2.636 0.030 . 2 . . . . 53 ASP HB3 . 10013 1 552 . 1 1 53 53 ASP C C 13 176.689 0.300 . 1 . . . . 53 ASP C . 10013 1 553 . 1 1 53 53 ASP CA C 13 54.275 0.300 . 1 . . . . 53 ASP CA . 10013 1 554 . 1 1 53 53 ASP CB C 13 41.259 0.300 . 1 . . . . 53 ASP CB . 10013 1 555 . 1 1 53 53 ASP N N 15 120.437 0.300 . 1 . . . . 53 ASP N . 10013 1 556 . 1 1 54 54 SER H H 1 8.252 0.030 . 1 . . . . 54 SER H . 10013 1 557 . 1 1 54 54 SER HA H 1 4.397 0.030 . 1 . . . . 54 SER HA . 10013 1 558 . 1 1 54 54 SER HB2 H 1 3.856 0.030 . 2 . . . . 54 SER HB2 . 10013 1 559 . 1 1 54 54 SER HB3 H 1 3.912 0.030 . 2 . . . . 54 SER HB3 . 10013 1 560 . 1 1 54 54 SER C C 13 174.520 0.300 . 1 . . . . 54 SER C . 10013 1 561 . 1 1 54 54 SER CA C 13 58.648 0.300 . 1 . . . . 54 SER CA . 10013 1 562 . 1 1 54 54 SER CB C 13 63.788 0.300 . 1 . . . . 54 SER CB . 10013 1 563 . 1 1 54 54 SER N N 15 116.070 0.300 . 1 . . . . 54 SER N . 10013 1 564 . 1 1 55 55 ALA H H 1 8.307 0.030 . 1 . . . . 55 ALA H . 10013 1 565 . 1 1 55 55 ALA HA H 1 4.229 0.030 . 1 . . . . 55 ALA HA . 10013 1 566 . 1 1 55 55 ALA HB1 H 1 1.332 0.030 . 1 . . . . 55 ALA HB . 10013 1 567 . 1 1 55 55 ALA HB2 H 1 1.332 0.030 . 1 . . . . 55 ALA HB . 10013 1 568 . 1 1 55 55 ALA HB3 H 1 1.332 0.030 . 1 . . . . 55 ALA HB . 10013 1 569 . 1 1 55 55 ALA C C 13 177.633 0.300 . 1 . . . . 55 ALA C . 10013 1 570 . 1 1 55 55 ALA CA C 13 52.875 0.300 . 1 . . . . 55 ALA CA . 10013 1 571 . 1 1 55 55 ALA CB C 13 18.953 0.300 . 1 . . . . 55 ALA CB . 10013 1 572 . 1 1 55 55 ALA N N 15 125.547 0.300 . 1 . . . . 55 ALA N . 10013 1 573 . 1 1 56 56 ALA H H 1 8.020 0.030 . 1 . . . . 56 ALA H . 10013 1 574 . 1 1 56 56 ALA HA H 1 4.229 0.030 . 1 . . . . 56 ALA HA . 10013 1 575 . 1 1 56 56 ALA HB1 H 1 1.348 0.030 . 1 . . . . 56 ALA HB . 10013 1 576 . 1 1 56 56 ALA HB2 H 1 1.348 0.030 . 1 . . . . 56 ALA HB . 10013 1 577 . 1 1 56 56 ALA HB3 H 1 1.348 0.030 . 1 . . . . 56 ALA HB . 10013 1 578 . 1 1 56 56 ALA C C 13 177.851 0.300 . 1 . . . . 56 ALA C . 10013 1 579 . 1 1 56 56 ALA CA C 13 52.908 0.300 . 1 . . . . 56 ALA CA . 10013 1 580 . 1 1 56 56 ALA CB C 13 19.100 0.300 . 1 . . . . 56 ALA CB . 10013 1 581 . 1 1 56 56 ALA N N 15 122.123 0.300 . 1 . . . . 56 ALA N . 10013 1 582 . 1 1 57 57 GLU H H 1 8.187 0.030 . 1 . . . . 57 GLU H . 10013 1 583 . 1 1 57 57 GLU HA H 1 4.213 0.030 . 1 . . . . 57 GLU HA . 10013 1 584 . 1 1 57 57 GLU HB2 H 1 1.966 0.030 . 2 . . . . 57 GLU HB2 . 10013 1 585 . 1 1 57 57 GLU HB3 H 1 2.051 0.030 . 2 . . . . 57 GLU HB3 . 10013 1 586 . 1 1 57 57 GLU HG2 H 1 2.271 0.030 . 2 . . . . 57 GLU HG2 . 10013 1 587 . 1 1 57 57 GLU HG3 H 1 2.198 0.030 . 2 . . . . 57 GLU HG3 . 10013 1 588 . 1 1 57 57 GLU C C 13 176.991 0.300 . 1 . . . . 57 GLU C . 10013 1 589 . 1 1 57 57 GLU CA C 13 57.093 0.300 . 1 . . . . 57 GLU CA . 10013 1 590 . 1 1 57 57 GLU CB C 13 30.035 0.300 . 1 . . . . 57 GLU CB . 10013 1 591 . 1 1 57 57 GLU CG C 13 36.459 0.300 . 1 . . . . 57 GLU CG . 10013 1 592 . 1 1 57 57 GLU N N 15 118.833 0.300 . 1 . . . . 57 GLU N . 10013 1 593 . 1 1 58 58 VAL H H 1 8.016 0.030 . 1 . . . . 58 VAL H . 10013 1 594 . 1 1 58 58 VAL HA H 1 3.844 0.030 . 1 . . . . 58 VAL HA . 10013 1 595 . 1 1 58 58 VAL HB H 1 1.850 0.030 . 1 . . . . 58 VAL HB . 10013 1 596 . 1 1 58 58 VAL HG11 H 1 0.616 0.030 . 1 . . . . 58 VAL HG1 . 10013 1 597 . 1 1 58 58 VAL HG12 H 1 0.616 0.030 . 1 . . . . 58 VAL HG1 . 10013 1 598 . 1 1 58 58 VAL HG13 H 1 0.616 0.030 . 1 . . . . 58 VAL HG1 . 10013 1 599 . 1 1 58 58 VAL HG21 H 1 0.682 0.030 . 1 . . . . 58 VAL HG2 . 10013 1 600 . 1 1 58 58 VAL HG22 H 1 0.682 0.030 . 1 . . . . 58 VAL HG2 . 10013 1 601 . 1 1 58 58 VAL HG23 H 1 0.682 0.030 . 1 . . . . 58 VAL HG2 . 10013 1 602 . 1 1 58 58 VAL C C 13 176.519 0.300 . 1 . . . . 58 VAL C . 10013 1 603 . 1 1 58 58 VAL CA C 13 63.416 0.300 . 1 . . . . 58 VAL CA . 10013 1 604 . 1 1 58 58 VAL CB C 13 32.240 0.300 . 1 . . . . 58 VAL CB . 10013 1 605 . 1 1 58 58 VAL CG1 C 13 20.826 0.300 . 2 . . . . 58 VAL CG1 . 10013 1 606 . 1 1 58 58 VAL CG2 C 13 20.775 0.300 . 2 . . . . 58 VAL CG2 . 10013 1 607 . 1 1 58 58 VAL N N 15 120.303 0.300 . 1 . . . . 58 VAL N . 10013 1 608 . 1 1 59 59 THR H H 1 7.902 0.030 . 1 . . . . 59 THR H . 10013 1 609 . 1 1 59 59 THR HA H 1 4.023 0.030 . 1 . . . . 59 THR HA . 10013 1 610 . 1 1 59 59 THR HB H 1 4.138 0.030 . 1 . . . . 59 THR HB . 10013 1 611 . 1 1 59 59 THR HG21 H 1 1.082 0.030 . 1 . . . . 59 THR HG2 . 10013 1 612 . 1 1 59 59 THR HG22 H 1 1.082 0.030 . 1 . . . . 59 THR HG2 . 10013 1 613 . 1 1 59 59 THR HG23 H 1 1.082 0.030 . 1 . . . . 59 THR HG2 . 10013 1 614 . 1 1 59 59 THR C C 13 175.198 0.300 . 1 . . . . 59 THR C . 10013 1 615 . 1 1 59 59 THR CA C 13 62.973 0.300 . 1 . . . . 59 THR CA . 10013 1 616 . 1 1 59 59 THR CB C 13 69.309 0.300 . 1 . . . . 59 THR CB . 10013 1 617 . 1 1 59 59 THR CG2 C 13 21.731 0.300 . 1 . . . . 59 THR CG2 . 10013 1 618 . 1 1 59 59 THR N N 15 115.358 0.300 . 1 . . . . 59 THR N . 10013 1 619 . 1 1 60 60 GLU H H 1 8.112 0.030 . 1 . . . . 60 GLU H . 10013 1 620 . 1 1 60 60 GLU HA H 1 4.252 0.030 . 1 . . . . 60 GLU HA . 10013 1 621 . 1 1 60 60 GLU HB2 H 1 1.965 0.030 . 2 . . . . 60 GLU HB2 . 10013 1 622 . 1 1 60 60 GLU HB3 H 1 2.050 0.030 . 2 . . . . 60 GLU HB3 . 10013 1 623 . 1 1 60 60 GLU HG2 H 1 2.219 0.030 . 1 . . . . 60 GLU HG2 . 10013 1 624 . 1 1 60 60 GLU HG3 H 1 2.219 0.030 . 1 . . . . 60 GLU HG3 . 10013 1 625 . 1 1 60 60 GLU C C 13 177.052 0.300 . 1 . . . . 60 GLU C . 10013 1 626 . 1 1 60 60 GLU CA C 13 57.163 0.300 . 1 . . . . 60 GLU CA . 10013 1 627 . 1 1 60 60 GLU CB C 13 30.035 0.300 . 1 . . . . 60 GLU CB . 10013 1 628 . 1 1 60 60 GLU CG C 13 36.284 0.300 . 1 . . . . 60 GLU CG . 10013 1 629 . 1 1 60 60 GLU N N 15 121.627 0.300 . 1 . . . . 60 GLU N . 10013 1 630 . 1 1 61 61 MET H H 1 8.097 0.030 . 1 . . . . 61 MET H . 10013 1 631 . 1 1 61 61 MET HA H 1 4.426 0.030 . 1 . . . . 61 MET HA . 10013 1 632 . 1 1 61 61 MET HB2 H 1 1.930 0.030 . 2 . . . . 61 MET HB2 . 10013 1 633 . 1 1 61 61 MET HB3 H 1 1.989 0.030 . 2 . . . . 61 MET HB3 . 10013 1 634 . 1 1 61 61 MET HG2 H 1 2.450 0.030 . 2 . . . . 61 MET HG2 . 10013 1 635 . 1 1 61 61 MET HG3 H 1 2.563 0.030 . 2 . . . . 61 MET HG3 . 10013 1 636 . 1 1 61 61 MET HE1 H 1 1.999 0.030 . 1 . . . . 61 MET HE . 10013 1 637 . 1 1 61 61 MET HE2 H 1 1.999 0.030 . 1 . . . . 61 MET HE . 10013 1 638 . 1 1 61 61 MET HE3 H 1 1.999 0.030 . 1 . . . . 61 MET HE . 10013 1 639 . 1 1 61 61 MET C C 13 177.040 0.300 . 1 . . . . 61 MET C . 10013 1 640 . 1 1 61 61 MET CA C 13 55.716 0.300 . 1 . . . . 61 MET CA . 10013 1 641 . 1 1 61 61 MET CB C 13 32.913 0.300 . 1 . . . . 61 MET CB . 10013 1 642 . 1 1 61 61 MET CG C 13 32.240 0.300 . 1 . . . . 61 MET CG . 10013 1 643 . 1 1 61 61 MET CE C 13 16.900 0.300 . 1 . . . . 61 MET CE . 10013 1 644 . 1 1 61 61 MET N N 15 119.157 0.300 . 1 . . . . 61 MET N . 10013 1 645 . 1 1 62 62 ALA H H 1 8.247 0.030 . 1 . . . . 62 ALA H . 10013 1 646 . 1 1 62 62 ALA HA H 1 4.245 0.030 . 1 . . . . 62 ALA HA . 10013 1 647 . 1 1 62 62 ALA HB1 H 1 1.377 0.030 . 1 . . . . 62 ALA HB . 10013 1 648 . 1 1 62 62 ALA HB2 H 1 1.377 0.030 . 1 . . . . 62 ALA HB . 10013 1 649 . 1 1 62 62 ALA HB3 H 1 1.377 0.030 . 1 . . . . 62 ALA HB . 10013 1 650 . 1 1 62 62 ALA C C 13 177.888 0.300 . 1 . . . . 62 ALA C . 10013 1 651 . 1 1 62 62 ALA CA C 13 53.665 0.300 . 1 . . . . 62 ALA CA . 10013 1 652 . 1 1 62 62 ALA CB C 13 19.112 0.300 . 1 . . . . 62 ALA CB . 10013 1 653 . 1 1 62 62 ALA N N 15 123.485 0.300 . 1 . . . . 62 ALA N . 10013 1 654 . 1 1 63 63 HIS H H 1 8.208 0.030 . 1 . . . . 63 HIS H . 10013 1 655 . 1 1 63 63 HIS HA H 1 4.521 0.030 . 1 . . . . 63 HIS HA . 10013 1 656 . 1 1 63 63 HIS HB2 H 1 2.896 0.030 . 2 . . . . 63 HIS HB2 . 10013 1 657 . 1 1 63 63 HIS HB3 H 1 3.007 0.030 . 2 . . . . 63 HIS HB3 . 10013 1 658 . 1 1 63 63 HIS HD2 H 1 6.822 0.030 . 1 . . . . 63 HIS HD2 . 10013 1 659 . 1 1 63 63 HIS HE1 H 1 7.215 0.030 . 1 . . . . 63 HIS HE1 . 10013 1 660 . 1 1 63 63 HIS C C 13 175.186 0.300 . 1 . . . . 63 HIS C . 10013 1 661 . 1 1 63 63 HIS CA C 13 56.071 0.300 . 1 . . . . 63 HIS CA . 10013 1 662 . 1 1 63 63 HIS CB C 13 29.624 0.300 . 1 . . . . 63 HIS CB . 10013 1 663 . 1 1 63 63 HIS CD2 C 13 119.250 0.300 . 1 . . . . 63 HIS CD2 . 10013 1 664 . 1 1 63 63 HIS CE1 C 13 137.327 0.300 . 1 . . . . 63 HIS CE1 . 10013 1 665 . 1 1 63 63 HIS N N 15 116.282 0.300 . 1 . . . . 63 HIS N . 10013 1 666 . 1 1 64 64 THR HA H 1 4.399 0.030 . 1 . . . . 64 THR HA . 10013 1 667 . 1 1 64 64 THR HB H 1 4.361 0.030 . 1 . . . . 64 THR HB . 10013 1 668 . 1 1 64 64 THR HG21 H 1 1.127 0.030 . 1 . . . . 64 THR HG2 . 10013 1 669 . 1 1 64 64 THR HG22 H 1 1.127 0.030 . 1 . . . . 64 THR HG2 . 10013 1 670 . 1 1 64 64 THR HG23 H 1 1.127 0.030 . 1 . . . . 64 THR HG2 . 10013 1 671 . 1 1 64 64 THR C C 13 174.920 0.300 . 1 . . . . 64 THR C . 10013 1 672 . 1 1 64 64 THR CA C 13 61.640 0.300 . 1 . . . . 64 THR CA . 10013 1 673 . 1 1 64 64 THR CB C 13 70.575 0.300 . 1 . . . . 64 THR CB . 10013 1 674 . 1 1 64 64 THR CG2 C 13 21.446 0.300 . 1 . . . . 64 THR CG2 . 10013 1 675 . 1 1 65 65 GLU H H 1 8.571 0.030 . 1 . . . . 65 GLU H . 10013 1 676 . 1 1 65 65 GLU HA H 1 4.318 0.030 . 1 . . . . 65 GLU HA . 10013 1 677 . 1 1 65 65 GLU HB2 H 1 1.942 0.030 . 2 . . . . 65 GLU HB2 . 10013 1 678 . 1 1 65 65 GLU HB3 H 1 2.068 0.030 . 2 . . . . 65 GLU HB3 . 10013 1 679 . 1 1 65 65 GLU HG2 H 1 2.267 0.030 . 1 . . . . 65 GLU HG2 . 10013 1 680 . 1 1 65 65 GLU HG3 H 1 2.267 0.030 . 1 . . . . 65 GLU HG3 . 10013 1 681 . 1 1 65 65 GLU C C 13 177.318 0.300 . 1 . . . . 65 GLU C . 10013 1 682 . 1 1 65 65 GLU CA C 13 57.498 0.300 . 1 . . . . 65 GLU CA . 10013 1 683 . 1 1 65 65 GLU CB C 13 30.130 0.300 . 1 . . . . 65 GLU CB . 10013 1 684 . 1 1 65 65 GLU CG C 13 36.202 0.300 . 1 . . . . 65 GLU CG . 10013 1 685 . 1 1 65 65 GLU N N 15 121.941 0.300 . 1 . . . . 65 GLU N . 10013 1 686 . 1 1 66 66 THR H H 1 8.110 0.030 . 1 . . . . 66 THR H . 10013 1 687 . 1 1 66 66 THR HA H 1 4.255 0.030 . 1 . . . . 66 THR HA . 10013 1 688 . 1 1 66 66 THR HB H 1 4.236 0.030 . 1 . . . . 66 THR HB . 10013 1 689 . 1 1 66 66 THR HG21 H 1 1.251 0.030 . 1 . . . . 66 THR HG2 . 10013 1 690 . 1 1 66 66 THR HG22 H 1 1.251 0.030 . 1 . . . . 66 THR HG2 . 10013 1 691 . 1 1 66 66 THR HG23 H 1 1.251 0.030 . 1 . . . . 66 THR HG2 . 10013 1 692 . 1 1 66 66 THR C C 13 175.392 0.300 . 1 . . . . 66 THR C . 10013 1 693 . 1 1 66 66 THR CA C 13 63.099 0.300 . 1 . . . . 66 THR CA . 10013 1 694 . 1 1 66 66 THR CB C 13 69.747 0.300 . 1 . . . . 66 THR CB . 10013 1 695 . 1 1 66 66 THR CG2 C 13 21.825 0.300 . 1 . . . . 66 THR CG2 . 10013 1 696 . 1 1 66 66 THR N N 15 113.605 0.300 . 1 . . . . 66 THR N . 10013 1 697 . 1 1 67 67 GLY H H 1 8.150 0.030 . 1 . . . . 67 GLY H . 10013 1 698 . 1 1 67 67 GLY HA2 H 1 4.014 0.030 . 1 . . . . 67 GLY HA2 . 10013 1 699 . 1 1 67 67 GLY HA3 H 1 4.014 0.030 . 1 . . . . 67 GLY HA3 . 10013 1 700 . 1 1 67 67 GLY C C 13 172.424 0.300 . 1 . . . . 67 GLY C . 10013 1 701 . 1 1 67 67 GLY CA C 13 45.380 0.300 . 1 . . . . 67 GLY CA . 10013 1 702 . 1 1 67 67 GLY N N 15 110.376 0.300 . 1 . . . . 67 GLY N . 10013 1 703 . 1 1 68 68 TRP H H 1 8.531 0.030 . 1 . . . . 68 TRP H . 10013 1 704 . 1 1 68 68 TRP HA H 1 4.544 0.030 . 1 . . . . 68 TRP HA . 10013 1 705 . 1 1 68 68 TRP HB2 H 1 3.206 0.030 . 2 . . . . 68 TRP HB2 . 10013 1 706 . 1 1 68 68 TRP HB3 H 1 3.135 0.030 . 2 . . . . 68 TRP HB3 . 10013 1 707 . 1 1 68 68 TRP HD1 H 1 7.194 0.030 . 1 . . . . 68 TRP HD1 . 10013 1 708 . 1 1 68 68 TRP HE1 H 1 9.809 0.030 . 1 . . . . 68 TRP HE1 . 10013 1 709 . 1 1 68 68 TRP HE3 H 1 7.594 0.030 . 1 . . . . 68 TRP HE3 . 10013 1 710 . 1 1 68 68 TRP HZ2 H 1 7.083 0.030 . 1 . . . . 68 TRP HZ2 . 10013 1 711 . 1 1 68 68 TRP HZ3 H 1 6.779 0.030 . 1 . . . . 68 TRP HZ3 . 10013 1 712 . 1 1 68 68 TRP HH2 H 1 6.197 0.030 . 1 . . . . 68 TRP HH2 . 10013 1 713 . 1 1 68 68 TRP C C 13 174.132 0.300 . 1 . . . . 68 TRP C . 10013 1 714 . 1 1 68 68 TRP CA C 13 58.268 0.300 . 1 . . . . 68 TRP CA . 10013 1 715 . 1 1 68 68 TRP CB C 13 30.407 0.300 . 1 . . . . 68 TRP CB . 10013 1 716 . 1 1 68 68 TRP CD1 C 13 126.797 0.300 . 1 . . . . 68 TRP CD1 . 10013 1 717 . 1 1 68 68 TRP CE3 C 13 121.171 0.300 . 1 . . . . 68 TRP CE3 . 10013 1 718 . 1 1 68 68 TRP CZ2 C 13 113.866 0.300 . 1 . . . . 68 TRP CZ2 . 10013 1 719 . 1 1 68 68 TRP CZ3 C 13 120.624 0.300 . 1 . . . . 68 TRP CZ3 . 10013 1 720 . 1 1 68 68 TRP CH2 C 13 123.965 0.300 . 1 . . . . 68 TRP CH2 . 10013 1 721 . 1 1 68 68 TRP N N 15 123.249 0.300 . 1 . . . . 68 TRP N . 10013 1 722 . 1 1 68 68 TRP NE1 N 15 129.831 0.300 . 1 . . . . 68 TRP NE1 . 10013 1 723 . 1 1 69 69 SER H H 1 7.331 0.030 . 1 . . . . 69 SER H . 10013 1 724 . 1 1 69 69 SER HA H 1 5.175 0.030 . 1 . . . . 69 SER HA . 10013 1 725 . 1 1 69 69 SER HB2 H 1 3.388 0.030 . 2 . . . . 69 SER HB2 . 10013 1 726 . 1 1 69 69 SER HB3 H 1 3.442 0.030 . 2 . . . . 69 SER HB3 . 10013 1 727 . 1 1 69 69 SER C C 13 172.225 0.300 . 1 . . . . 69 SER C . 10013 1 728 . 1 1 69 69 SER CA C 13 55.426 0.300 . 1 . . . . 69 SER CA . 10013 1 729 . 1 1 69 69 SER CB C 13 65.292 0.300 . 1 . . . . 69 SER CB . 10013 1 730 . 1 1 69 69 SER N N 15 121.113 0.300 . 1 . . . . 69 SER N . 10013 1 731 . 1 1 70 70 CYS H H 1 9.087 0.030 . 1 . . . . 70 CYS H . 10013 1 732 . 1 1 70 70 CYS HA H 1 3.505 0.030 . 1 . . . . 70 CYS HA . 10013 1 733 . 1 1 70 70 CYS HB2 H 1 2.335 0.030 . 2 . . . . 70 CYS HB2 . 10013 1 734 . 1 1 70 70 CYS HB3 H 1 2.723 0.030 . 2 . . . . 70 CYS HB3 . 10013 1 735 . 1 1 70 70 CYS CA C 13 57.709 0.300 . 1 . . . . 70 CYS CA . 10013 1 736 . 1 1 70 70 CYS CB C 13 34.341 0.300 . 1 . . . . 70 CYS CB . 10013 1 737 . 1 1 70 70 CYS N N 15 126.786 0.300 . 1 . . . . 70 CYS N . 10013 1 738 . 1 1 71 71 HIS H H 1 7.564 0.030 . 1 . . . . 71 HIS H . 10013 1 739 . 1 1 71 71 HIS HA H 1 4.179 0.030 . 1 . . . . 71 HIS HA . 10013 1 740 . 1 1 71 71 HIS HB2 H 1 2.706 0.030 . 2 . . . . 71 HIS HB2 . 10013 1 741 . 1 1 71 71 HIS HB3 H 1 2.863 0.030 . 2 . . . . 71 HIS HB3 . 10013 1 742 . 1 1 71 71 HIS HD2 H 1 6.246 0.030 . 1 . . . . 71 HIS HD2 . 10013 1 743 . 1 1 71 71 HIS HE1 H 1 7.952 0.030 . 1 . . . . 71 HIS HE1 . 10013 1 744 . 1 1 71 71 HIS C C 13 177.254 0.300 . 1 . . . . 71 HIS C . 10013 1 745 . 1 1 71 71 HIS CA C 13 57.497 0.300 . 1 . . . . 71 HIS CA . 10013 1 746 . 1 1 71 71 HIS CB C 13 28.807 0.300 . 1 . . . . 71 HIS CB . 10013 1 747 . 1 1 71 71 HIS CD2 C 13 118.016 0.300 . 1 . . . . 71 HIS CD2 . 10013 1 748 . 1 1 71 71 HIS CE1 C 13 137.709 0.300 . 1 . . . . 71 HIS CE1 . 10013 1 749 . 1 1 71 71 HIS N N 15 113.912 0.300 . 1 . . . . 71 HIS N . 10013 1 750 . 1 1 72 72 TYR H H 1 8.641 0.030 . 1 . . . . 72 TYR H . 10013 1 751 . 1 1 72 72 TYR HA H 1 4.236 0.030 . 1 . . . . 72 TYR HA . 10013 1 752 . 1 1 72 72 TYR HB2 H 1 2.897 0.030 . 2 . . . . 72 TYR HB2 . 10013 1 753 . 1 1 72 72 TYR HB3 H 1 3.059 0.030 . 2 . . . . 72 TYR HB3 . 10013 1 754 . 1 1 72 72 TYR HD1 H 1 7.297 0.030 . 1 . . . . 72 TYR HD1 . 10013 1 755 . 1 1 72 72 TYR HD2 H 1 7.297 0.030 . 1 . . . . 72 TYR HD2 . 10013 1 756 . 1 1 72 72 TYR HE1 H 1 6.884 0.030 . 1 . . . . 72 TYR HE1 . 10013 1 757 . 1 1 72 72 TYR HE2 H 1 6.884 0.030 . 1 . . . . 72 TYR HE2 . 10013 1 758 . 1 1 72 72 TYR C C 13 178.592 0.300 . 1 . . . . 72 TYR C . 10013 1 759 . 1 1 72 72 TYR CA C 13 61.074 0.300 . 1 . . . . 72 TYR CA . 10013 1 760 . 1 1 72 72 TYR CB C 13 37.876 0.300 . 1 . . . . 72 TYR CB . 10013 1 761 . 1 1 72 72 TYR CD1 C 13 133.246 0.300 . 1 . . . . 72 TYR CD1 . 10013 1 762 . 1 1 72 72 TYR CD2 C 13 133.246 0.300 . 1 . . . . 72 TYR CD2 . 10013 1 763 . 1 1 72 72 TYR CE1 C 13 117.885 0.300 . 1 . . . . 72 TYR CE1 . 10013 1 764 . 1 1 72 72 TYR CE2 C 13 117.885 0.300 . 1 . . . . 72 TYR CE2 . 10013 1 765 . 1 1 72 72 TYR N N 15 122.710 0.300 . 1 . . . . 72 TYR N . 10013 1 766 . 1 1 73 73 CYS H H 1 7.738 0.030 . 1 . . . . 73 CYS H . 10013 1 767 . 1 1 73 73 CYS HA H 1 3.984 0.030 . 1 . . . . 73 CYS HA . 10013 1 768 . 1 1 73 73 CYS HB2 H 1 2.608 0.030 . 2 . . . . 73 CYS HB2 . 10013 1 769 . 1 1 73 73 CYS HB3 H 1 2.815 0.030 . 2 . . . . 73 CYS HB3 . 10013 1 770 . 1 1 73 73 CYS C C 13 176.535 0.300 . 1 . . . . 73 CYS C . 10013 1 771 . 1 1 73 73 CYS CA C 13 62.715 0.300 . 1 . . . . 73 CYS CA . 10013 1 772 . 1 1 73 73 CYS CB C 13 30.015 0.300 . 1 . . . . 73 CYS CB . 10013 1 773 . 1 1 73 73 CYS N N 15 123.066 0.300 . 1 . . . . 73 CYS N . 10013 1 774 . 1 1 74 74 ASP H H 1 7.952 0.030 . 1 . . . . 74 ASP H . 10013 1 775 . 1 1 74 74 ASP HA H 1 4.390 0.030 . 1 . . . . 74 ASP HA . 10013 1 776 . 1 1 74 74 ASP HB2 H 1 2.461 0.030 . 1 . . . . 74 ASP HB2 . 10013 1 777 . 1 1 74 74 ASP HB3 H 1 2.461 0.030 . 1 . . . . 74 ASP HB3 . 10013 1 778 . 1 1 74 74 ASP C C 13 176.263 0.300 . 1 . . . . 74 ASP C . 10013 1 779 . 1 1 74 74 ASP CA C 13 55.031 0.300 . 1 . . . . 74 ASP CA . 10013 1 780 . 1 1 74 74 ASP CB C 13 40.835 0.300 . 1 . . . . 74 ASP CB . 10013 1 781 . 1 1 74 74 ASP N N 15 119.885 0.300 . 1 . . . . 74 ASP N . 10013 1 782 . 1 1 75 75 ASN H H 1 7.932 0.030 . 1 . . . . 75 ASN H . 10013 1 783 . 1 1 75 75 ASN HA H 1 4.638 0.030 . 1 . . . . 75 ASN HA . 10013 1 784 . 1 1 75 75 ASN HB2 H 1 2.733 0.030 . 2 . . . . 75 ASN HB2 . 10013 1 785 . 1 1 75 75 ASN HB3 H 1 2.822 0.030 . 2 . . . . 75 ASN HB3 . 10013 1 786 . 1 1 75 75 ASN HD21 H 1 7.594 0.030 . 2 . . . . 75 ASN HD21 . 10013 1 787 . 1 1 75 75 ASN HD22 H 1 6.851 0.030 . 2 . . . . 75 ASN HD22 . 10013 1 788 . 1 1 75 75 ASN C C 13 175.544 0.300 . 1 . . . . 75 ASN C . 10013 1 789 . 1 1 75 75 ASN CA C 13 53.551 0.300 . 1 . . . . 75 ASN CA . 10013 1 790 . 1 1 75 75 ASN CB C 13 38.804 0.300 . 1 . . . . 75 ASN CB . 10013 1 791 . 1 1 75 75 ASN N N 15 118.204 0.300 . 1 . . . . 75 ASN N . 10013 1 792 . 1 1 75 75 ASN ND2 N 15 112.874 0.300 . 1 . . . . 75 ASN ND2 . 10013 1 793 . 1 1 76 76 ILE H H 1 7.887 0.030 . 1 . . . . 76 ILE H . 10013 1 794 . 1 1 76 76 ILE HA H 1 4.047 0.030 . 1 . . . . 76 ILE HA . 10013 1 795 . 1 1 76 76 ILE HB H 1 1.872 0.030 . 1 . . . . 76 ILE HB . 10013 1 796 . 1 1 76 76 ILE HG12 H 1 1.455 0.030 . 2 . . . . 76 ILE HG12 . 10013 1 797 . 1 1 76 76 ILE HG13 H 1 1.178 0.030 . 2 . . . . 76 ILE HG13 . 10013 1 798 . 1 1 76 76 ILE HG21 H 1 0.870 0.030 . 1 . . . . 76 ILE HG2 . 10013 1 799 . 1 1 76 76 ILE HG22 H 1 0.870 0.030 . 1 . . . . 76 ILE HG2 . 10013 1 800 . 1 1 76 76 ILE HG23 H 1 0.870 0.030 . 1 . . . . 76 ILE HG2 . 10013 1 801 . 1 1 76 76 ILE HD11 H 1 0.858 0.030 . 1 . . . . 76 ILE HD1 . 10013 1 802 . 1 1 76 76 ILE HD12 H 1 0.858 0.030 . 1 . . . . 76 ILE HD1 . 10013 1 803 . 1 1 76 76 ILE HD13 H 1 0.858 0.030 . 1 . . . . 76 ILE HD1 . 10013 1 804 . 1 1 76 76 ILE C C 13 176.216 0.300 . 1 . . . . 76 ILE C . 10013 1 805 . 1 1 76 76 ILE CA C 13 62.178 0.300 . 1 . . . . 76 ILE CA . 10013 1 806 . 1 1 76 76 ILE CB C 13 38.445 0.300 . 1 . . . . 76 ILE CB . 10013 1 807 . 1 1 76 76 ILE CG1 C 13 27.630 0.300 . 1 . . . . 76 ILE CG1 . 10013 1 808 . 1 1 76 76 ILE CG2 C 13 17.435 0.300 . 1 . . . . 76 ILE CG2 . 10013 1 809 . 1 1 76 76 ILE CD1 C 13 13.175 0.300 . 1 . . . . 76 ILE CD1 . 10013 1 810 . 1 1 76 76 ILE N N 15 120.440 0.300 . 1 . . . . 76 ILE N . 10013 1 811 . 1 1 77 77 ASN H H 1 8.380 0.030 . 1 . . . . 77 ASN H . 10013 1 812 . 1 1 77 77 ASN HA H 1 4.641 0.030 . 1 . . . . 77 ASN HA . 10013 1 813 . 1 1 77 77 ASN HB2 H 1 2.733 0.030 . 1 . . . . 77 ASN HB2 . 10013 1 814 . 1 1 77 77 ASN HB3 H 1 2.733 0.030 . 1 . . . . 77 ASN HB3 . 10013 1 815 . 1 1 77 77 ASN C C 13 175.356 0.300 . 1 . . . . 77 ASN C . 10013 1 816 . 1 1 77 77 ASN CA C 13 53.512 0.300 . 1 . . . . 77 ASN CA . 10013 1 817 . 1 1 77 77 ASN CB C 13 39.272 0.300 . 1 . . . . 77 ASN CB . 10013 1 818 . 1 1 78 78 LEU H H 1 8.062 0.030 . 1 . . . . 78 LEU H . 10013 1 819 . 1 1 78 78 LEU HA H 1 4.264 0.030 . 1 . . . . 78 LEU HA . 10013 1 820 . 1 1 78 78 LEU HB2 H 1 1.595 0.030 . 2 . . . . 78 LEU HB2 . 10013 1 821 . 1 1 78 78 LEU HB3 H 1 1.677 0.030 . 2 . . . . 78 LEU HB3 . 10013 1 822 . 1 1 78 78 LEU HG H 1 1.595 0.030 . 1 . . . . 78 LEU HG . 10013 1 823 . 1 1 78 78 LEU HD11 H 1 0.894 0.030 . 1 . . . . 78 LEU HD1 . 10013 1 824 . 1 1 78 78 LEU HD12 H 1 0.894 0.030 . 1 . . . . 78 LEU HD1 . 10013 1 825 . 1 1 78 78 LEU HD13 H 1 0.894 0.030 . 1 . . . . 78 LEU HD1 . 10013 1 826 . 1 1 78 78 LEU HD21 H 1 0.837 0.030 . 1 . . . . 78 LEU HD2 . 10013 1 827 . 1 1 78 78 LEU HD22 H 1 0.837 0.030 . 1 . . . . 78 LEU HD2 . 10013 1 828 . 1 1 78 78 LEU HD23 H 1 0.837 0.030 . 1 . . . . 78 LEU HD2 . 10013 1 829 . 1 1 78 78 LEU C C 13 177.343 0.300 . 1 . . . . 78 LEU C . 10013 1 830 . 1 1 78 78 LEU CA C 13 55.621 0.300 . 1 . . . . 78 LEU CA . 10013 1 831 . 1 1 78 78 LEU CB C 13 42.163 0.300 . 1 . . . . 78 LEU CB . 10013 1 832 . 1 1 78 78 LEU CG C 13 27.075 0.300 . 1 . . . . 78 LEU CG . 10013 1 833 . 1 1 78 78 LEU CD1 C 13 24.973 0.300 . 2 . . . . 78 LEU CD1 . 10013 1 834 . 1 1 78 78 LEU CD2 C 13 23.566 0.300 . 2 . . . . 78 LEU CD2 . 10013 1 835 . 1 1 78 78 LEU N N 15 122.477 0.300 . 1 . . . . 78 LEU N . 10013 1 836 . 1 1 79 79 LEU H H 1 8.066 0.030 . 1 . . . . 79 LEU H . 10013 1 837 . 1 1 79 79 LEU HA H 1 4.339 0.030 . 1 . . . . 79 LEU HA . 10013 1 838 . 1 1 79 79 LEU HB2 H 1 1.592 0.030 . 2 . . . . 79 LEU HB2 . 10013 1 839 . 1 1 79 79 LEU HB3 H 1 1.672 0.030 . 2 . . . . 79 LEU HB3 . 10013 1 840 . 1 1 79 79 LEU HG H 1 1.608 0.030 . 1 . . . . 79 LEU HG . 10013 1 841 . 1 1 79 79 LEU HD11 H 1 0.839 0.030 . 1 . . . . 79 LEU HD1 . 10013 1 842 . 1 1 79 79 LEU HD12 H 1 0.839 0.030 . 1 . . . . 79 LEU HD1 . 10013 1 843 . 1 1 79 79 LEU HD13 H 1 0.839 0.030 . 1 . . . . 79 LEU HD1 . 10013 1 844 . 1 1 79 79 LEU HD21 H 1 0.923 0.030 . 1 . . . . 79 LEU HD2 . 10013 1 845 . 1 1 79 79 LEU HD22 H 1 0.923 0.030 . 1 . . . . 79 LEU HD2 . 10013 1 846 . 1 1 79 79 LEU HD23 H 1 0.923 0.030 . 1 . . . . 79 LEU HD2 . 10013 1 847 . 1 1 79 79 LEU C C 13 177.246 0.300 . 1 . . . . 79 LEU C . 10013 1 848 . 1 1 79 79 LEU CA C 13 55.260 0.300 . 1 . . . . 79 LEU CA . 10013 1 849 . 1 1 79 79 LEU CB C 13 42.040 0.300 . 1 . . . . 79 LEU CB . 10013 1 850 . 1 1 79 79 LEU CG C 13 27.082 0.300 . 1 . . . . 79 LEU CG . 10013 1 851 . 1 1 79 79 LEU CD1 C 13 23.559 0.300 . 2 . . . . 79 LEU CD1 . 10013 1 852 . 1 1 79 79 LEU CD2 C 13 25.048 0.300 . 2 . . . . 79 LEU CD2 . 10013 1 853 . 1 1 79 79 LEU N N 15 121.832 0.300 . 1 . . . . 79 LEU N . 10013 1 854 . 1 1 80 80 LEU H H 1 8.063 0.030 . 1 . . . . 80 LEU H . 10013 1 855 . 1 1 80 80 LEU HA H 1 4.418 0.030 . 1 . . . . 80 LEU HA . 10013 1 856 . 1 1 80 80 LEU HB2 H 1 1.596 0.030 . 2 . . . . 80 LEU HB2 . 10013 1 857 . 1 1 80 80 LEU HB3 H 1 1.669 0.030 . 2 . . . . 80 LEU HB3 . 10013 1 858 . 1 1 80 80 LEU HG H 1 1.601 0.030 . 1 . . . . 80 LEU HG . 10013 1 859 . 1 1 80 80 LEU HD11 H 1 0.903 0.030 . 1 . . . . 80 LEU HD1 . 10013 1 860 . 1 1 80 80 LEU HD12 H 1 0.903 0.030 . 1 . . . . 80 LEU HD1 . 10013 1 861 . 1 1 80 80 LEU HD13 H 1 0.903 0.030 . 1 . . . . 80 LEU HD1 . 10013 1 862 . 1 1 80 80 LEU HD21 H 1 0.857 0.030 . 1 . . . . 80 LEU HD2 . 10013 1 863 . 1 1 80 80 LEU HD22 H 1 0.857 0.030 . 1 . . . . 80 LEU HD2 . 10013 1 864 . 1 1 80 80 LEU HD23 H 1 0.857 0.030 . 1 . . . . 80 LEU HD2 . 10013 1 865 . 1 1 80 80 LEU C C 13 177.476 0.300 . 1 . . . . 80 LEU C . 10013 1 866 . 1 1 80 80 LEU CA C 13 55.171 0.300 . 1 . . . . 80 LEU CA . 10013 1 867 . 1 1 80 80 LEU CB C 13 42.085 0.300 . 1 . . . . 80 LEU CB . 10013 1 868 . 1 1 80 80 LEU CG C 13 26.911 0.300 . 1 . . . . 80 LEU CG . 10013 1 869 . 1 1 80 80 LEU CD1 C 13 25.020 0.300 . 2 . . . . 80 LEU CD1 . 10013 1 870 . 1 1 80 80 LEU CD2 C 13 23.293 0.300 . 2 . . . . 80 LEU CD2 . 10013 1 871 . 1 1 80 80 LEU N N 15 122.591 0.300 . 1 . . . . 80 LEU N . 10013 1 872 . 1 1 81 81 THR H H 1 8.054 0.030 . 1 . . . . 81 THR H . 10013 1 873 . 1 1 81 81 THR HA H 1 4.349 0.030 . 1 . . . . 81 THR HA . 10013 1 874 . 1 1 81 81 THR HB H 1 4.238 0.030 . 1 . . . . 81 THR HB . 10013 1 875 . 1 1 81 81 THR HG21 H 1 1.193 0.030 . 1 . . . . 81 THR HG2 . 10013 1 876 . 1 1 81 81 THR HG22 H 1 1.193 0.030 . 1 . . . . 81 THR HG2 . 10013 1 877 . 1 1 81 81 THR HG23 H 1 1.193 0.030 . 1 . . . . 81 THR HG2 . 10013 1 878 . 1 1 81 81 THR C C 13 174.556 0.300 . 1 . . . . 81 THR C . 10013 1 879 . 1 1 81 81 THR CA C 13 61.785 0.300 . 1 . . . . 81 THR CA . 10013 1 880 . 1 1 81 81 THR CB C 13 69.872 0.300 . 1 . . . . 81 THR CB . 10013 1 881 . 1 1 81 81 THR CG2 C 13 21.569 0.300 . 1 . . . . 81 THR CG2 . 10013 1 882 . 1 1 81 81 THR N N 15 114.581 0.300 . 1 . . . . 81 THR N . 10013 1 883 . 1 1 82 82 GLU H H 1 8.410 0.030 . 1 . . . . 82 GLU H . 10013 1 884 . 1 1 82 82 GLU HA H 1 4.319 0.030 . 1 . . . . 82 GLU HA . 10013 1 885 . 1 1 82 82 GLU HB2 H 1 1.952 0.030 . 1 . . . . 82 GLU HB2 . 10013 1 886 . 1 1 82 82 GLU HB3 H 1 1.952 0.030 . 1 . . . . 82 GLU HB3 . 10013 1 887 . 1 1 82 82 GLU HG2 H 1 2.229 0.030 . 1 . . . . 82 GLU HG2 . 10013 1 888 . 1 1 82 82 GLU HG3 H 1 2.229 0.030 . 1 . . . . 82 GLU HG3 . 10013 1 889 . 1 1 82 82 GLU C C 13 176.519 0.300 . 1 . . . . 82 GLU C . 10013 1 890 . 1 1 82 82 GLU CA C 13 56.625 0.300 . 1 . . . . 82 GLU CA . 10013 1 891 . 1 1 82 82 GLU CB C 13 30.364 0.300 . 1 . . . . 82 GLU CB . 10013 1 892 . 1 1 82 82 GLU CG C 13 36.120 0.300 . 1 . . . . 82 GLU CG . 10013 1 893 . 1 1 82 82 GLU N N 15 123.045 0.300 . 1 . . . . 82 GLU N . 10013 1 894 . 1 1 83 83 GLU H H 1 8.465 0.030 . 1 . . . . 83 GLU H . 10013 1 895 . 1 1 83 83 GLU HA H 1 4.315 0.030 . 1 . . . . 83 GLU HA . 10013 1 896 . 1 1 83 83 GLU HB2 H 1 1.946 0.030 . 2 . . . . 83 GLU HB2 . 10013 1 897 . 1 1 83 83 GLU HB3 H 1 2.074 0.030 . 2 . . . . 83 GLU HB3 . 10013 1 898 . 1 1 83 83 GLU HG2 H 1 2.239 0.030 . 1 . . . . 83 GLU HG2 . 10013 1 899 . 1 1 83 83 GLU HG3 H 1 2.239 0.030 . 1 . . . . 83 GLU HG3 . 10013 1 900 . 1 1 83 83 GLU C C 13 176.555 0.300 . 1 . . . . 83 GLU C . 10013 1 901 . 1 1 83 83 GLU CA C 13 56.668 0.300 . 1 . . . . 83 GLU CA . 10013 1 902 . 1 1 83 83 GLU CB C 13 30.323 0.300 . 1 . . . . 83 GLU CB . 10013 1 903 . 1 1 83 83 GLU CG C 13 36.202 0.300 . 1 . . . . 83 GLU CG . 10013 1 904 . 1 1 83 83 GLU N N 15 122.211 0.300 . 1 . . . . 83 GLU N . 10013 1 905 . 1 1 84 84 SER H H 1 8.372 0.030 . 1 . . . . 84 SER H . 10013 1 906 . 1 1 84 84 SER HA H 1 4.401 0.030 . 1 . . . . 84 SER HA . 10013 1 907 . 1 1 84 84 SER HB2 H 1 3.851 0.030 . 2 . . . . 84 SER HB2 . 10013 1 908 . 1 1 84 84 SER HB3 H 1 3.912 0.030 . 2 . . . . 84 SER HB3 . 10013 1 909 . 1 1 84 84 SER C C 13 174.629 0.300 . 1 . . . . 84 SER C . 10013 1 910 . 1 1 84 84 SER CA C 13 58.445 0.300 . 1 . . . . 84 SER CA . 10013 1 911 . 1 1 84 84 SER CB C 13 63.911 0.300 . 1 . . . . 84 SER CB . 10013 1 912 . 1 1 84 84 SER N N 15 117.074 0.300 . 1 . . . . 84 SER N . 10013 1 913 . 1 1 85 85 GLY H H 1 8.257 0.030 . 1 . . . . 85 GLY H . 10013 1 914 . 1 1 85 85 GLY HA2 H 1 4.071 0.030 . 2 . . . . 85 GLY HA2 . 10013 1 915 . 1 1 85 85 GLY HA3 H 1 4.190 0.030 . 2 . . . . 85 GLY HA3 . 10013 1 916 . 1 1 85 85 GLY C C 13 171.746 0.300 . 1 . . . . 85 GLY C . 10013 1 917 . 1 1 85 85 GLY CA C 13 44.674 0.300 . 1 . . . . 85 GLY CA . 10013 1 918 . 1 1 85 85 GLY N N 15 110.747 0.300 . 1 . . . . 85 GLY N . 10013 1 919 . 1 1 86 86 PRO HA H 1 4.487 0.030 . 1 . . . . 86 PRO HA . 10013 1 920 . 1 1 86 86 PRO HB2 H 1 2.251 0.030 . 2 . . . . 86 PRO HB2 . 10013 1 921 . 1 1 86 86 PRO HB3 H 1 1.949 0.030 . 2 . . . . 86 PRO HB3 . 10013 1 922 . 1 1 86 86 PRO HG2 H 1 2.005 0.030 . 1 . . . . 86 PRO HG2 . 10013 1 923 . 1 1 86 86 PRO HG3 H 1 2.005 0.030 . 1 . . . . 86 PRO HG3 . 10013 1 924 . 1 1 86 86 PRO HD2 H 1 3.631 0.030 . 1 . . . . 86 PRO HD2 . 10013 1 925 . 1 1 86 86 PRO HD3 H 1 3.631 0.030 . 1 . . . . 86 PRO HD3 . 10013 1 926 . 1 1 86 86 PRO C C 13 177.415 0.300 . 1 . . . . 86 PRO C . 10013 1 927 . 1 1 86 86 PRO CA C 13 63.208 0.300 . 1 . . . . 86 PRO CA . 10013 1 928 . 1 1 86 86 PRO CB C 13 32.009 0.300 . 1 . . . . 86 PRO CB . 10013 1 929 . 1 1 86 86 PRO CG C 13 27.075 0.300 . 1 . . . . 86 PRO CG . 10013 1 930 . 1 1 86 86 PRO CD C 13 49.851 0.300 . 1 . . . . 86 PRO CD . 10013 1 931 . 1 1 87 87 SER H H 1 8.544 0.030 . 1 . . . . 87 SER H . 10013 1 932 . 1 1 87 87 SER C C 13 174.750 0.300 . 1 . . . . 87 SER C . 10013 1 933 . 1 1 87 87 SER CA C 13 58.364 0.300 . 1 . . . . 87 SER CA . 10013 1 934 . 1 1 87 87 SER CB C 13 63.911 0.300 . 1 . . . . 87 SER CB . 10013 1 935 . 1 1 87 87 SER N N 15 116.549 0.300 . 1 . . . . 87 SER N . 10013 1 stop_ save_