data_15300 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15300 _Entry.Title ; 1H, 15N, 13C chemical shift assignment of the THAP domain 1-90 from human THAP1 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-12 _Entry.Accession_date 2007-06-12 _Entry.Last_release_date 2008-02-21 _Entry.Original_release_date 2008-02-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Damien BESSIERE . . . 15300 2 Sebastien CAMPAGNE . . . 15300 3 Alain MILON . . . 15300 4 Virginie GERVAIS . . . 15300 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 15300 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15300 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 177 15300 '15N chemical shifts' 61 15300 '1H chemical shifts' 510 15300 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 . . 2008-02-21 2007-06-12 original author . 15300 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15289 'THAP domain 1-81 from human THAP1 protein' 15300 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15300 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18073205 _Citation.Full_citation . _Citation.Title ; Structure-Function Analysis of the THAP Zinc Finger of THAP1, a Large C2CH DNA-binding Module Linked to Rb/E2F Pathways. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 283 _Citation.Journal_issue 7 _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 4352 _Citation.Page_last 4363 _Citation.Year 2008 _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 Damien Bessiere . . . 15300 1 2 Chrystelle Lacroix . . . 15300 1 3 Sebastien Campagne . . . 15300 1 4 Vincent Ecochard . . . 15300 1 5 Valerie Guillet . . . 15300 1 6 Lionel Mourey . . . 15300 1 7 Frederic Lopez . . . 15300 1 8 J. Czaplicki . . . 15300 1 9 Pascal Demange . . . 15300 1 10 Alain Milon . . . 15300 1 11 Jean-Philippe Cirard . . . 15300 1 12 Virginie Gervais . . . 15300 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15300 _Assembly.ID 1 _Assembly.Name 'THAP domain' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'THAP domain polypeptide' 1 $THAP_domain A . yes native no no . . . 15300 1 2 'ZINC ION' 2 $ZN A . no native no no . . . 15300 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 disulfide single . 1 . 1 CYS 5 5 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 15300 1 2 disulfide single . 1 . 1 CYS 10 10 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 15300 1 3 disulfide single . 1 . 1 CYS 54 54 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 15300 1 4 disulfide single . 1 . 1 HIS 57 57 HE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 15300 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 54 54 HG . 54 CYS HG 15300 1 . . 1 1 HIS 57 57 HE2 . 57 HIS HE2 15300 1 . . 1 1 CYS 5 5 HG . 5 CYS HG 15300 1 . . 1 1 CYS 10 10 HG . 10 CYS HG 15300 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_THAP_domain _Entity.Sf_category entity _Entity.Sf_framecode THAP_domain _Entity.Entry_ID 15300 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name THAP_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MVQSCSAYGCKNRYDKDKPV SFHKFPLTRPSLCKEWEAAV RRKNFKPTKYSSICSEHFTP DCFKRECNNKLLKENAVPTI FLCTEPHDKKLELVPR ; _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAA91635 . "unnamed protein product [Homo sapiens]" . . . . . 93.75 213 100.00 100.00 8.75e-59 . . . . 15300 1 2 no DBJ BAD96951 . "THAP domain containing, apoptosis associated protein 1 isoform 1 variant [Homo sapiens]" . . . . . 93.75 213 98.89 100.00 2.11e-58 . . . . 15300 1 3 no DBJ BAE02260 . "unnamed protein product [Macaca fascicularis]" . . . . . 93.75 212 98.89 98.89 9.43e-58 . . . . 15300 1 4 no DBJ BAI45652 . "THAP domain containing, apoptosis associated protein 1 [synthetic construct]" . . . . . 93.75 213 100.00 100.00 8.75e-59 . . . . 15300 1 5 no EMBL CAG33537 . "THAP1 [Homo sapiens]" . . . . . 93.75 213 100.00 100.00 7.85e-59 . . . . 15300 1 6 no EMBL CAH90563 . "hypothetical protein [Pongo abelii]" . . . . . 93.75 213 100.00 100.00 8.75e-59 . . . . 15300 1 7 no GB AAH21721 . "THAP domain containing, apoptosis associated protein 1 [Homo sapiens]" . . . . . 93.75 213 100.00 100.00 8.75e-59 . . . . 15300 1 8 no GB AAI02410 . "THAP domain containing, apoptosis associated protein 1 [Bos taurus]" . . . . . 93.75 213 97.78 100.00 2.24e-57 . . . . 15300 1 9 no GB ADZ15806 . "THAP domain containing, apoptosis associated protein 1 [synthetic construct]" . . . . . 93.75 213 100.00 100.00 8.75e-59 . . . . 15300 1 10 no GB AIC51723 . "THAP1, partial [synthetic construct]" . . . . . 93.75 213 100.00 100.00 8.75e-59 . . . . 15300 1 11 no GB AKI69887 . "THAP1, partial [synthetic construct]" . . . . . 93.75 213 98.89 98.89 4.26e-58 . . . . 15300 1 12 no REF NP_001029820 . "THAP domain-containing protein 1 [Bos taurus]" . . . . . 93.75 213 97.78 100.00 2.24e-57 . . . . 15300 1 13 no REF NP_001125299 . "THAP domain-containing protein 1 [Pongo abelii]" . . . . . 93.75 213 100.00 100.00 8.75e-59 . . . . 15300 1 14 no REF NP_001244808 . "THAP domain-containing protein 1 [Macaca mulatta]" . . . . . 93.75 212 100.00 100.00 8.49e-59 . . . . 15300 1 15 no REF NP_001271632 . "THAP domain-containing protein 1 [Macaca fascicularis]" . . . . . 93.75 212 98.89 98.89 9.43e-58 . . . . 15300 1 16 no REF NP_060575 . "THAP domain-containing protein 1 isoform 1 [Homo sapiens]" . . . . . 93.75 213 100.00 100.00 8.75e-59 . . . . 15300 1 17 no SP Q3T0G1 . "RecName: Full=THAP domain-containing protein 1" . . . . . 93.75 213 97.78 100.00 2.24e-57 . . . . 15300 1 18 no SP Q4R3Q6 . "RecName: Full=THAP domain-containing protein 1" . . . . . 93.75 212 98.89 98.89 9.43e-58 . . . . 15300 1 19 no SP Q5RCE4 . "RecName: Full=THAP domain-containing protein 1 [Pongo abelii]" . . . . . 93.75 213 100.00 100.00 8.75e-59 . . . . 15300 1 20 no SP Q9NVV9 . "RecName: Full=THAP domain-containing protein 1" . . . . . 93.75 213 100.00 100.00 8.75e-59 . . . . 15300 1 21 no TPG DAA14452 . "TPA: THAP domain-containing protein 1 [Bos taurus]" . . . . . 93.75 213 97.78 100.00 2.24e-57 . . . . 15300 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'transcription factor, cell proliferation' 15300 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 . MET . 15300 1 2 . VAL . 15300 1 3 . GLN . 15300 1 4 . SER . 15300 1 5 . CYS . 15300 1 6 . SER . 15300 1 7 . ALA . 15300 1 8 . TYR . 15300 1 9 . GLY . 15300 1 10 . CYS . 15300 1 11 . LYS . 15300 1 12 . ASN . 15300 1 13 . ARG . 15300 1 14 . TYR . 15300 1 15 . ASP . 15300 1 16 . LYS . 15300 1 17 . ASP . 15300 1 18 . LYS . 15300 1 19 . PRO . 15300 1 20 . VAL . 15300 1 21 . SER . 15300 1 22 . PHE . 15300 1 23 . HIS . 15300 1 24 . LYS . 15300 1 25 . PHE . 15300 1 26 . PRO . 15300 1 27 . LEU . 15300 1 28 . THR . 15300 1 29 . ARG . 15300 1 30 . PRO . 15300 1 31 . SER . 15300 1 32 . LEU . 15300 1 33 . CYS . 15300 1 34 . LYS . 15300 1 35 . GLU . 15300 1 36 . TRP . 15300 1 37 . GLU . 15300 1 38 . ALA . 15300 1 39 . ALA . 15300 1 40 . VAL . 15300 1 41 . ARG . 15300 1 42 . ARG . 15300 1 43 . LYS . 15300 1 44 . ASN . 15300 1 45 . PHE . 15300 1 46 . LYS . 15300 1 47 . PRO . 15300 1 48 . THR . 15300 1 49 . LYS . 15300 1 50 . TYR . 15300 1 51 . SER . 15300 1 52 . SER . 15300 1 53 . ILE . 15300 1 54 . CYS . 15300 1 55 . SER . 15300 1 56 . GLU . 15300 1 57 . HIS . 15300 1 58 . PHE . 15300 1 59 . THR . 15300 1 60 . PRO . 15300 1 61 . ASP . 15300 1 62 . CYS . 15300 1 63 . PHE . 15300 1 64 . LYS . 15300 1 65 . ARG . 15300 1 66 . GLU . 15300 1 67 . CYS . 15300 1 68 . ASN . 15300 1 69 . ASN . 15300 1 70 . LYS . 15300 1 71 . LEU . 15300 1 72 . LEU . 15300 1 73 . LYS . 15300 1 74 . GLU . 15300 1 75 . ASN . 15300 1 76 . ALA . 15300 1 77 . VAL . 15300 1 78 . PRO . 15300 1 79 . THR . 15300 1 80 . ILE . 15300 1 81 . PHE . 15300 1 82 . LEU . 15300 1 83 . CYS . 15300 1 84 . THR . 15300 1 85 . GLU . 15300 1 86 . PRO . 15300 1 87 . HIS . 15300 1 88 . ASP . 15300 1 89 . LYS . 15300 1 90 . LYS . 15300 1 91 . LEU . 15300 1 92 . GLU . 15300 1 93 . LEU . 15300 1 94 . VAL . 15300 1 95 . PRO . 15300 1 96 . ARG . 15300 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 . MET 1 1 15300 1 . VAL 2 2 15300 1 . GLN 3 3 15300 1 . SER 4 4 15300 1 . CYS 5 5 15300 1 . SER 6 6 15300 1 . ALA 7 7 15300 1 . TYR 8 8 15300 1 . GLY 9 9 15300 1 . CYS 10 10 15300 1 . LYS 11 11 15300 1 . ASN 12 12 15300 1 . ARG 13 13 15300 1 . TYR 14 14 15300 1 . ASP 15 15 15300 1 . LYS 16 16 15300 1 . ASP 17 17 15300 1 . LYS 18 18 15300 1 . PRO 19 19 15300 1 . VAL 20 20 15300 1 . SER 21 21 15300 1 . PHE 22 22 15300 1 . HIS 23 23 15300 1 . LYS 24 24 15300 1 . PHE 25 25 15300 1 . PRO 26 26 15300 1 . LEU 27 27 15300 1 . THR 28 28 15300 1 . ARG 29 29 15300 1 . PRO 30 30 15300 1 . SER 31 31 15300 1 . LEU 32 32 15300 1 . CYS 33 33 15300 1 . LYS 34 34 15300 1 . GLU 35 35 15300 1 . TRP 36 36 15300 1 . GLU 37 37 15300 1 . ALA 38 38 15300 1 . ALA 39 39 15300 1 . VAL 40 40 15300 1 . ARG 41 41 15300 1 . ARG 42 42 15300 1 . LYS 43 43 15300 1 . ASN 44 44 15300 1 . PHE 45 45 15300 1 . LYS 46 46 15300 1 . PRO 47 47 15300 1 . THR 48 48 15300 1 . LYS 49 49 15300 1 . TYR 50 50 15300 1 . SER 51 51 15300 1 . SER 52 52 15300 1 . ILE 53 53 15300 1 . CYS 54 54 15300 1 . SER 55 55 15300 1 . GLU 56 56 15300 1 . HIS 57 57 15300 1 . PHE 58 58 15300 1 . THR 59 59 15300 1 . PRO 60 60 15300 1 . ASP 61 61 15300 1 . CYS 62 62 15300 1 . PHE 63 63 15300 1 . LYS 64 64 15300 1 . ARG 65 65 15300 1 . GLU 66 66 15300 1 . CYS 67 67 15300 1 . ASN 68 68 15300 1 . ASN 69 69 15300 1 . LYS 70 70 15300 1 . LEU 71 71 15300 1 . LEU 72 72 15300 1 . LYS 73 73 15300 1 . GLU 74 74 15300 1 . ASN 75 75 15300 1 . ALA 76 76 15300 1 . VAL 77 77 15300 1 . PRO 78 78 15300 1 . THR 79 79 15300 1 . ILE 80 80 15300 1 . PHE 81 81 15300 1 . LEU 82 82 15300 1 . CYS 83 83 15300 1 . THR 84 84 15300 1 . GLU 85 85 15300 1 . PRO 86 86 15300 1 . HIS 87 87 15300 1 . ASP 88 88 15300 1 . LYS 89 89 15300 1 . LYS 90 90 15300 1 . LEU 91 91 15300 1 . GLU 92 92 15300 1 . LEU 93 93 15300 1 . VAL 94 94 15300 1 . PRO 95 95 15300 1 . ARG 96 96 15300 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 15300 _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 15300 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 15300 _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 $THAP_domain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15300 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 15300 _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 $THAP_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet26bII . . . . . . 15300 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 15300 _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 . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _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 . _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 19 02:38:10 2007 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 INCHI InChi 1 15300 ZN [Zn++] SMILES_CANONICAL CACTVS 2.87 15300 ZN [Zn+2] SMILES OpenEye/OEToolkits 1.4.2 15300 ZN [Zn+2] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15300 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(+2) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15300 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 . . . . . . . . . . . . . . . 15300 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_U _Sample.Sf_category sample _Sample.Sf_framecode sample_U _Sample.Entry_ID 15300 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'THAP domain' 'natural abundance' . . 1 $THAP_domain . . 1 . . mM . . . . 15300 1 2 NaCl 'natural abundance' . . . . . . 10 . . mM . . . . 15300 1 3 Tris 'natural abundance' . . . . . . 50 . . mM . . . . 15300 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 15300 1 stop_ save_ save_sample_U-15N-13C _Sample.Sf_category sample _Sample.Sf_framecode sample_U-15N-13C _Sample.Entry_ID 15300 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'THAP domain' '[U-13C; U-15N]' . . 1 $THAP_domain . . 1 . . mM . . . . 15300 2 2 NaCl 'natural abundance' . . . . . . 10 . . mM . . . . 15300 2 3 Tris 'natural abundance' . . . . . . 50 . . mM . . . . 15300 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 15300 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 15300 _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' 10 . mM 15300 1 pH 6.8 . pH 15300 1 pressure 1 . atm 15300 1 temperature 296 . K 15300 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15300 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15300 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15300 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15300 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15300 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15300 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15300 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15300 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 15300 3 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 15300 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15300 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15300 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15300 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 600 Bruker Avance . 600 cryoprobe . . 15300 1 2 700 Bruker Avance . 700 . . . 15300 1 3 800 Bruker Avance . 800 cryoprobe . . 15300 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15300 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_U isotropic . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 15300 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_U isotropic . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 15300 1 3 '2D 1H-1H COSY' no . . . . . . . . . . 1 $sample_U isotropic . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 15300 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_U-15N-13C isotropic . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 15300 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_U-15N-13C isotropic . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 15300 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_U-15N-13C isotropic . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 15300 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_U-15N-13C isotropic . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 15300 1 8 '3D HNCO' no . . . . . . . . . . 2 $sample_U-15N-13C isotropic . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 15300 1 9 '3D HNCA' no . . . . . . . . . . 2 $sample_U-15N-13C isotropic . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 15300 1 10 '3D HNCACB' no . . . . . . . . . . 2 $sample_U-15N-13C isotropic . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 15300 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_U-15N-13C isotropic . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 15300 1 12 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_U-15N-13C isotropic . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 15300 1 13 '3D HNHA' no . . . . . . . . . . 2 $sample_U-15N-13C isotropic . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 15300 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 15300 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 0.00 . indirect 0.251449530 . . . . . . . . . 15300 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15300 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15300 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_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 15300 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err 0.04 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 15300 1 2 '2D 1H-1H TOCSY' . . . 15300 1 3 '2D 1H-1H COSY' . . . 15300 1 4 '2D 1H-15N HSQC' . . . 15300 1 5 '3D 1H-15N NOESY' . . . 15300 1 6 '3D 1H-15N TOCSY' . . . 15300 1 7 '3D CBCA(CO)NH' . . . 15300 1 8 '3D HNCO' . . . 15300 1 9 '3D HNCA' . . . 15300 1 10 '3D HNCACB' . . . 15300 1 11 '3D HBHA(CO)NH' . . . 15300 1 12 '3D HN(CO)CA' . . . 15300 1 13 '3D HNHA' . . . 15300 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XEASY . . 15300 1 2 $NMRView . . 15300 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 2 2 VAL HB H 1 1.370 0.04 . 1 . . . . 2 VAL HB . 15300 1 2 . 1 1 2 2 VAL HG11 H 1 0.820 0.04 . 2 . . . . 2 VAL HG11 . 15300 1 3 . 1 1 2 2 VAL HG12 H 1 0.820 0.04 . 2 . . . . 2 VAL HG12 . 15300 1 4 . 1 1 2 2 VAL HG13 H 1 0.820 0.04 . 2 . . . . 2 VAL HG13 . 15300 1 5 . 1 1 2 2 VAL HG21 H 1 0.799 0.04 . 2 . . . . 2 VAL HG21 . 15300 1 6 . 1 1 2 2 VAL HG22 H 1 0.799 0.04 . 2 . . . . 2 VAL HG22 . 15300 1 7 . 1 1 2 2 VAL HG23 H 1 0.799 0.04 . 2 . . . . 2 VAL HG23 . 15300 1 8 . 1 1 3 3 GLN H H 1 7.626 0.04 . 1 . . . . 3 GLN H . 15300 1 9 . 1 1 3 3 GLN HA H 1 4.294 0.04 . 1 . . . . 3 GLN HA . 15300 1 10 . 1 1 3 3 GLN HB2 H 1 1.625 0.04 . 2 . . . . 3 GLN HB2 . 15300 1 11 . 1 1 3 3 GLN HB3 H 1 1.573 0.04 . 2 . . . . 3 GLN HB3 . 15300 1 12 . 1 1 3 3 GLN HG2 H 1 2.201 0.04 . 1 . . . . 3 GLN HG2 . 15300 1 13 . 1 1 3 3 GLN HG3 H 1 2.201 0.04 . 1 . . . . 3 GLN HG3 . 15300 1 14 . 1 1 3 3 GLN C C 13 173.862 0.4 . 1 . . . . 3 GLN C . 15300 1 15 . 1 1 3 3 GLN CA C 13 58.877 0.4 . 1 . . . . 3 GLN CA . 15300 1 16 . 1 1 3 3 GLN CB C 13 32.064 0.4 . 1 . . . . 3 GLN CB . 15300 1 17 . 1 1 4 4 SER H H 1 8.360 0.04 . 1 . . . . 4 SER H . 15300 1 18 . 1 1 4 4 SER HA H 1 4.928 0.04 . 1 . . . . 4 SER HA . 15300 1 19 . 1 1 4 4 SER HB2 H 1 4.021 0.04 . 2 . . . . 4 SER HB2 . 15300 1 20 . 1 1 4 4 SER HB3 H 1 3.821 0.04 . 2 . . . . 4 SER HB3 . 15300 1 21 . 1 1 4 4 SER C C 13 172.870 0.4 . 1 . . . . 4 SER C . 15300 1 22 . 1 1 4 4 SER CA C 13 59.654 0.4 . 1 . . . . 4 SER CA . 15300 1 23 . 1 1 4 4 SER CB C 13 67.824 0.4 . 1 . . . . 4 SER CB . 15300 1 24 . 1 1 4 4 SER N N 15 117.220 0.1 . 1 . . . . 4 SER N . 15300 1 25 . 1 1 5 5 CYS H H 1 8.555 0.04 . 1 . . . . 5 CYS H . 15300 1 26 . 1 1 5 5 CYS HA H 1 4.678 0.04 . 1 . . . . 5 CYS HA . 15300 1 27 . 1 1 5 5 CYS HB2 H 1 3.242 0.04 . 2 . . . . 5 CYS HB2 . 15300 1 28 . 1 1 5 5 CYS HB3 H 1 3.033 0.04 . 2 . . . . 5 CYS HB3 . 15300 1 29 . 1 1 5 5 CYS C C 13 176.531 0.4 . 1 . . . . 5 CYS C . 15300 1 30 . 1 1 5 5 CYS CA C 13 62.859 0.4 . 1 . . . . 5 CYS CA . 15300 1 31 . 1 1 5 5 CYS CB C 13 33.750 0.4 . 1 . . . . 5 CYS CB . 15300 1 32 . 1 1 5 5 CYS N N 15 124.855 0.1 . 1 . . . . 5 CYS N . 15300 1 33 . 1 1 6 6 SER H H 1 9.294 0.04 . 1 . . . . 6 SER H . 15300 1 34 . 1 1 6 6 SER HA H 1 4.687 0.04 . 1 . . . . 6 SER HA . 15300 1 35 . 1 1 6 6 SER HB2 H 1 4.125 0.04 . 2 . . . . 6 SER HB2 . 15300 1 36 . 1 1 6 6 SER HB3 H 1 4.028 0.04 . 2 . . . . 6 SER HB3 . 15300 1 37 . 1 1 6 6 SER C C 13 173.237 0.4 . 1 . . . . 6 SER C . 15300 1 38 . 1 1 6 6 SER CA C 13 63.094 0.4 . 1 . . . . 6 SER CA . 15300 1 39 . 1 1 6 6 SER CB C 13 67.568 0.4 . 1 . . . . 6 SER CB . 15300 1 40 . 1 1 6 6 SER N N 15 123.427 0.1 . 1 . . . . 6 SER N . 15300 1 41 . 1 1 7 7 ALA H H 1 9.404 0.04 . 1 . . . . 7 ALA H . 15300 1 42 . 1 1 7 7 ALA HA H 1 3.903 0.04 . 1 . . . . 7 ALA HA . 15300 1 43 . 1 1 7 7 ALA HB1 H 1 1.064 0.04 . 1 . . . . 7 ALA HB1 . 15300 1 44 . 1 1 7 7 ALA HB2 H 1 1.064 0.04 . 1 . . . . 7 ALA HB2 . 15300 1 45 . 1 1 7 7 ALA HB3 H 1 1.064 0.04 . 1 . . . . 7 ALA HB3 . 15300 1 46 . 1 1 7 7 ALA C C 13 177.828 0.4 . 1 . . . . 7 ALA C . 15300 1 47 . 1 1 7 7 ALA CA C 13 55.272 0.4 . 1 . . . . 7 ALA CA . 15300 1 48 . 1 1 7 7 ALA CB C 13 20.562 0.4 . 1 . . . . 7 ALA CB . 15300 1 49 . 1 1 7 7 ALA N N 15 127.344 0.1 . 1 . . . . 7 ALA N . 15300 1 50 . 1 1 8 8 TYR H H 1 8.842 0.04 . 1 . . . . 8 TYR H . 15300 1 51 . 1 1 8 8 TYR HA H 1 4.059 0.04 . 1 . . . . 8 TYR HA . 15300 1 52 . 1 1 8 8 TYR HB2 H 1 2.903 0.04 . 2 . . . . 8 TYR HB2 . 15300 1 53 . 1 1 8 8 TYR HB3 H 1 2.884 0.04 . 2 . . . . 8 TYR HB3 . 15300 1 54 . 1 1 8 8 TYR HD1 H 1 6.891 0.04 . 3 . . . . 8 TYR HD1 . 15300 1 55 . 1 1 8 8 TYR HD2 H 1 6.891 0.04 . 3 . . . . 8 TYR HD2 . 15300 1 56 . 1 1 8 8 TYR HE1 H 1 6.841 0.04 . 3 . . . . 8 TYR HE1 . 15300 1 57 . 1 1 8 8 TYR HE2 H 1 6.841 0.04 . 3 . . . . 8 TYR HE2 . 15300 1 58 . 1 1 8 8 TYR C C 13 177.011 0.4 . 1 . . . . 8 TYR C . 15300 1 59 . 1 1 8 8 TYR CA C 13 62.573 0.4 . 1 . . . . 8 TYR CA . 15300 1 60 . 1 1 8 8 TYR CB C 13 40.524 0.4 . 1 . . . . 8 TYR CB . 15300 1 61 . 1 1 8 8 TYR N N 15 125.697 0.1 . 1 . . . . 8 TYR N . 15300 1 62 . 1 1 9 9 GLY H H 1 8.335 0.04 . 1 . . . . 9 GLY H . 15300 1 63 . 1 1 9 9 GLY HA2 H 1 3.808 0.04 . 2 . . . . 9 GLY HA2 . 15300 1 64 . 1 1 9 9 GLY HA3 H 1 3.285 0.04 . 2 . . . . 9 GLY HA3 . 15300 1 65 . 1 1 9 9 GLY C C 13 172.852 0.4 . 1 . . . . 9 GLY C . 15300 1 66 . 1 1 9 9 GLY CA C 13 47.348 0.4 . 1 . . . . 9 GLY CA . 15300 1 67 . 1 1 9 9 GLY N N 15 115.138 0.1 . 1 . . . . 9 GLY N . 15300 1 68 . 1 1 10 10 CYS H H 1 7.718 0.04 . 1 . . . . 10 CYS H . 15300 1 69 . 1 1 10 10 CYS HA H 1 4.432 0.04 . 1 . . . . 10 CYS HA . 15300 1 70 . 1 1 10 10 CYS HB2 H 1 2.760 0.04 . 2 . . . . 10 CYS HB2 . 15300 1 71 . 1 1 10 10 CYS HB3 H 1 3.137 0.04 . 2 . . . . 10 CYS HB3 . 15300 1 72 . 1 1 10 10 CYS C C 13 176.542 0.4 . 1 . . . . 10 CYS C . 15300 1 73 . 1 1 10 10 CYS CA C 13 62.232 0.4 . 1 . . . . 10 CYS CA . 15300 1 74 . 1 1 10 10 CYS CB C 13 33.171 0.4 . 1 . . . . 10 CYS CB . 15300 1 75 . 1 1 10 10 CYS N N 15 123.023 0.1 . 1 . . . . 10 CYS N . 15300 1 76 . 1 1 11 11 LYS H H 1 8.896 0.04 . 1 . . . . 11 LYS H . 15300 1 77 . 1 1 11 11 LYS HA H 1 4.574 0.04 . 1 . . . . 11 LYS HA . 15300 1 78 . 1 1 11 11 LYS HB2 H 1 2.120 0.04 . 2 . . . . 11 LYS HB2 . 15300 1 79 . 1 1 11 11 LYS HB3 H 1 2.092 0.04 . 2 . . . . 11 LYS HB3 . 15300 1 80 . 1 1 11 11 LYS HD2 H 1 1.755 0.04 . 1 . . . . 11 LYS HD2 . 15300 1 81 . 1 1 11 11 LYS HD3 H 1 1.755 0.04 . 1 . . . . 11 LYS HD3 . 15300 1 82 . 1 1 11 11 LYS HG2 H 1 1.463 0.04 . 1 . . . . 11 LYS HG2 . 15300 1 83 . 1 1 11 11 LYS HG3 H 1 1.463 0.04 . 1 . . . . 11 LYS HG3 . 15300 1 84 . 1 1 11 11 LYS C C 13 176.871 0.4 . 1 . . . . 11 LYS C . 15300 1 85 . 1 1 11 11 LYS CA C 13 57.811 0.4 . 1 . . . . 11 LYS CA . 15300 1 86 . 1 1 11 11 LYS CB C 13 34.315 0.4 . 1 . . . . 11 LYS CB . 15300 1 87 . 1 1 11 11 LYS N N 15 128.932 0.1 . 1 . . . . 11 LYS N . 15300 1 88 . 1 1 12 12 ASN H H 1 8.846 0.04 . 1 . . . . 12 ASN H . 15300 1 89 . 1 1 12 12 ASN HA H 1 4.820 0.04 . 1 . . . . 12 ASN HA . 15300 1 90 . 1 1 12 12 ASN HB2 H 1 3.196 0.04 . 2 . . . . 12 ASN HB2 . 15300 1 91 . 1 1 12 12 ASN HB3 H 1 2.694 0.04 . 2 . . . . 12 ASN HB3 . 15300 1 92 . 1 1 12 12 ASN HD21 H 1 6.677 0.04 . 1 . . . . 12 ASN HD21 . 15300 1 93 . 1 1 12 12 ASN HD22 H 1 6.677 0.04 . 1 . . . . 12 ASN HD22 . 15300 1 94 . 1 1 12 12 ASN C C 13 174.809 0.4 . 1 . . . . 12 ASN C . 15300 1 95 . 1 1 12 12 ASN CA C 13 57.849 0.4 . 1 . . . . 12 ASN CA . 15300 1 96 . 1 1 12 12 ASN CB C 13 40.285 0.4 . 1 . . . . 12 ASN CB . 15300 1 97 . 1 1 12 12 ASN N N 15 122.111 0.1 . 1 . . . . 12 ASN N . 15300 1 98 . 1 1 13 13 ARG H H 1 8.568 0.04 . 1 . . . . 13 ARG H . 15300 1 99 . 1 1 13 13 ARG HA H 1 4.849 0.04 . 1 . . . . 13 ARG HA . 15300 1 100 . 1 1 13 13 ARG HB2 H 1 1.783 0.04 . 2 . . . . 13 ARG HB2 . 15300 1 101 . 1 1 13 13 ARG HB3 H 1 1.692 0.04 . 2 . . . . 13 ARG HB3 . 15300 1 102 . 1 1 13 13 ARG HD2 H 1 3.960 0.04 . 1 . . . . 13 ARG HD2 . 15300 1 103 . 1 1 13 13 ARG HD3 H 1 3.960 0.04 . 1 . . . . 13 ARG HD3 . 15300 1 104 . 1 1 13 13 ARG HG2 H 1 1.297 0.04 . 1 . . . . 13 ARG HG2 . 15300 1 105 . 1 1 13 13 ARG HG3 H 1 1.297 0.04 . 1 . . . . 13 ARG HG3 . 15300 1 106 . 1 1 13 13 ARG C C 13 175.648 0.4 . 1 . . . . 13 ARG C . 15300 1 107 . 1 1 13 13 ARG CA C 13 56.668 0.4 . 1 . . . . 13 ARG CA . 15300 1 108 . 1 1 13 13 ARG CB C 13 35.603 0.4 . 1 . . . . 13 ARG CB . 15300 1 109 . 1 1 13 13 ARG N N 15 121.364 0.1 . 1 . . . . 13 ARG N . 15300 1 110 . 1 1 14 14 TYR H H 1 7.906 0.04 . 1 . . . . 14 TYR H . 15300 1 111 . 1 1 14 14 TYR HA H 1 3.778 0.04 . 1 . . . . 14 TYR HA . 15300 1 112 . 1 1 14 14 TYR HB2 H 1 2.521 0.04 . 2 . . . . 14 TYR HB2 . 15300 1 113 . 1 1 14 14 TYR HB3 H 1 2.238 0.04 . 2 . . . . 14 TYR HB3 . 15300 1 114 . 1 1 14 14 TYR HD1 H 1 7.036 0.04 . 3 . . . . 14 TYR HD1 . 15300 1 115 . 1 1 14 14 TYR HD2 H 1 7.036 0.04 . 3 . . . . 14 TYR HD2 . 15300 1 116 . 1 1 14 14 TYR HE1 H 1 6.898 0.04 . 3 . . . . 14 TYR HE1 . 15300 1 117 . 1 1 14 14 TYR HE2 H 1 6.898 0.04 . 3 . . . . 14 TYR HE2 . 15300 1 118 . 1 1 14 14 TYR C C 13 174.097 0.4 . 1 . . . . 14 TYR C . 15300 1 119 . 1 1 14 14 TYR CA C 13 63.522 0.4 . 1 . . . . 14 TYR CA . 15300 1 120 . 1 1 14 14 TYR CB C 13 40.397 0.4 . 1 . . . . 14 TYR CB . 15300 1 121 . 1 1 14 14 TYR N N 15 122.820 0.1 . 1 . . . . 14 TYR N . 15300 1 122 . 1 1 15 15 ASP H H 1 7.273 0.04 . 1 . . . . 15 ASP H . 15300 1 123 . 1 1 15 15 ASP HA H 1 4.283 0.04 . 1 . . . . 15 ASP HA . 15300 1 124 . 1 1 15 15 ASP HB2 H 1 2.540 0.04 . 2 . . . . 15 ASP HB2 . 15300 1 125 . 1 1 15 15 ASP HB3 H 1 2.497 0.04 . 2 . . . . 15 ASP HB3 . 15300 1 126 . 1 1 15 15 ASP CA C 13 55.146 0.4 . 1 . . . . 15 ASP CA . 15300 1 127 . 1 1 15 15 ASP CB C 13 45.806 0.4 . 1 . . . . 15 ASP CB . 15300 1 128 . 1 1 15 15 ASP N N 15 127.546 0.1 . 1 . . . . 15 ASP N . 15300 1 129 . 1 1 16 16 LYS H H 1 8.685 0.04 . 1 . . . . 16 LYS H . 15300 1 130 . 1 1 16 16 LYS HA H 1 4.047 0.04 . 1 . . . . 16 LYS HA . 15300 1 131 . 1 1 16 16 LYS HB2 H 1 1.857 0.04 . 2 . . . . 16 LYS HB2 . 15300 1 132 . 1 1 16 16 LYS HB3 H 1 1.831 0.04 . 2 . . . . 16 LYS HB3 . 15300 1 133 . 1 1 16 16 LYS HD2 H 1 1.452 0.04 . 1 . . . . 16 LYS HD2 . 15300 1 134 . 1 1 16 16 LYS HD3 H 1 1.452 0.04 . 1 . . . . 16 LYS HD3 . 15300 1 135 . 1 1 16 16 LYS HE2 H 1 2.977 0.04 . 1 . . . . 16 LYS HE2 . 15300 1 136 . 1 1 16 16 LYS HE3 H 1 2.977 0.04 . 1 . . . . 16 LYS HE3 . 15300 1 137 . 1 1 16 16 LYS HG2 H 1 1.369 0.04 . 1 . . . . 16 LYS HG2 . 15300 1 138 . 1 1 16 16 LYS HG3 H 1 1.369 0.04 . 1 . . . . 16 LYS HG3 . 15300 1 139 . 1 1 16 16 LYS C C 13 176.277 0.4 . 1 . . . . 16 LYS C . 15300 1 140 . 1 1 16 16 LYS CA C 13 60.555 0.4 . 1 . . . . 16 LYS CA . 15300 1 141 . 1 1 16 16 LYS CB C 13 34.128 0.4 . 1 . . . . 16 LYS CB . 15300 1 142 . 1 1 16 16 LYS N N 15 126.907 0.1 . 1 . . . . 16 LYS N . 15300 1 143 . 1 1 17 17 ASP H H 1 8.629 0.04 . 1 . . . . 17 ASP H . 15300 1 144 . 1 1 17 17 ASP HA H 1 4.774 0.04 . 1 . . . . 17 ASP HA . 15300 1 145 . 1 1 17 17 ASP HB2 H 1 2.843 0.04 . 2 . . . . 17 ASP HB2 . 15300 1 146 . 1 1 17 17 ASP HB3 H 1 2.525 0.04 . 2 . . . . 17 ASP HB3 . 15300 1 147 . 1 1 17 17 ASP C C 13 175.655 0.4 . 1 . . . . 17 ASP C . 15300 1 148 . 1 1 17 17 ASP CA C 13 56.958 0.4 . 1 . . . . 17 ASP CA . 15300 1 149 . 1 1 17 17 ASP CB C 13 43.746 0.4 . 1 . . . . 17 ASP CB . 15300 1 150 . 1 1 17 17 ASP N N 15 118.737 0.1 . 1 . . . . 17 ASP N . 15300 1 151 . 1 1 18 18 LYS H H 1 7.830 0.04 . 1 . . . . 18 LYS H . 15300 1 152 . 1 1 18 18 LYS HA H 1 4.845 0.04 . 1 . . . . 18 LYS HA . 15300 1 153 . 1 1 18 18 LYS HB2 H 1 1.874 0.04 . 2 . . . . 18 LYS HB2 . 15300 1 154 . 1 1 18 18 LYS HB3 H 1 1.836 0.04 . 2 . . . . 18 LYS HB3 . 15300 1 155 . 1 1 18 18 LYS HD2 H 1 1.304 0.04 . 1 . . . . 18 LYS HD2 . 15300 1 156 . 1 1 18 18 LYS HD3 H 1 1.304 0.04 . 1 . . . . 18 LYS HD3 . 15300 1 157 . 1 1 18 18 LYS HE2 H 1 2.969 0.04 . 1 . . . . 18 LYS HE2 . 15300 1 158 . 1 1 18 18 LYS HE3 H 1 2.969 0.04 . 1 . . . . 18 LYS HE3 . 15300 1 159 . 1 1 18 18 LYS HG2 H 1 1.289 0.04 . 1 . . . . 18 LYS HG2 . 15300 1 160 . 1 1 18 18 LYS HG3 H 1 1.289 0.04 . 1 . . . . 18 LYS HG3 . 15300 1 161 . 1 1 18 18 LYS N N 15 120.336 0.1 . 1 . . . . 18 LYS N . 15300 1 162 . 1 1 19 19 PRO HA H 1 4.637 0.04 . 1 . . . . 19 PRO HA . 15300 1 163 . 1 1 19 19 PRO HB2 H 1 2.221 0.04 . 2 . . . . 19 PRO HB2 . 15300 1 164 . 1 1 19 19 PRO HB3 H 1 2.046 0.04 . 2 . . . . 19 PRO HB3 . 15300 1 165 . 1 1 19 19 PRO HD2 H 1 3.703 0.04 . 2 . . . . 19 PRO HD2 . 15300 1 166 . 1 1 19 19 PRO HD3 H 1 3.677 0.04 . 2 . . . . 19 PRO HD3 . 15300 1 167 . 1 1 19 19 PRO HG2 H 1 1.955 0.04 . 2 . . . . 19 PRO HG2 . 15300 1 168 . 1 1 19 19 PRO HG3 H 1 1.846 0.04 . 2 . . . . 19 PRO HG3 . 15300 1 169 . 1 1 19 19 PRO C C 13 175.880 0.4 . 1 . . . . 19 PRO C . 15300 1 170 . 1 1 20 20 VAL H H 1 7.257 0.04 . 1 . . . . 20 VAL H . 15300 1 171 . 1 1 20 20 VAL HA H 1 3.848 0.04 . 1 . . . . 20 VAL HA . 15300 1 172 . 1 1 20 20 VAL HB H 1 1.907 0.04 . 1 . . . . 20 VAL HB . 15300 1 173 . 1 1 20 20 VAL HG11 H 1 0.835 0.04 . 2 . . . . 20 VAL HG11 . 15300 1 174 . 1 1 20 20 VAL HG12 H 1 0.835 0.04 . 2 . . . . 20 VAL HG12 . 15300 1 175 . 1 1 20 20 VAL HG13 H 1 0.835 0.04 . 2 . . . . 20 VAL HG13 . 15300 1 176 . 1 1 20 20 VAL HG21 H 1 0.798 0.04 . 2 . . . . 20 VAL HG21 . 15300 1 177 . 1 1 20 20 VAL HG22 H 1 0.798 0.04 . 2 . . . . 20 VAL HG22 . 15300 1 178 . 1 1 20 20 VAL HG23 H 1 0.798 0.04 . 2 . . . . 20 VAL HG23 . 15300 1 179 . 1 1 20 20 VAL C C 13 175.344 0.4 . 1 . . . . 20 VAL C . 15300 1 180 . 1 1 20 20 VAL CA C 13 65.263 0.4 . 1 . . . . 20 VAL CA . 15300 1 181 . 1 1 20 20 VAL CB C 13 35.627 0.4 . 1 . . . . 20 VAL CB . 15300 1 182 . 1 1 20 20 VAL N N 15 122.606 0.1 . 1 . . . . 20 VAL N . 15300 1 183 . 1 1 21 21 SER H H 1 8.560 0.04 . 1 . . . . 21 SER H . 15300 1 184 . 1 1 21 21 SER HA H 1 4.967 0.04 . 1 . . . . 21 SER HA . 15300 1 185 . 1 1 21 21 SER HB2 H 1 3.955 0.04 . 2 . . . . 21 SER HB2 . 15300 1 186 . 1 1 21 21 SER HB3 H 1 3.753 0.04 . 2 . . . . 21 SER HB3 . 15300 1 187 . 1 1 21 21 SER C C 13 172.466 0.4 . 1 . . . . 21 SER C . 15300 1 188 . 1 1 21 21 SER CA C 13 58.753 0.4 . 1 . . . . 21 SER CA . 15300 1 189 . 1 1 21 21 SER CB C 13 67.546 0.4 . 1 . . . . 21 SER CB . 15300 1 190 . 1 1 21 21 SER N N 15 122.480 0.1 . 1 . . . . 21 SER N . 15300 1 191 . 1 1 22 22 PHE H H 1 8.585 0.04 . 1 . . . . 22 PHE H . 15300 1 192 . 1 1 22 22 PHE HA H 1 4.417 0.04 . 1 . . . . 22 PHE HA . 15300 1 193 . 1 1 22 22 PHE HB2 H 1 2.748 0.04 . 1 . . . . 22 PHE HB2 . 15300 1 194 . 1 1 22 22 PHE HB3 H 1 2.748 0.04 . 1 . . . . 22 PHE HB3 . 15300 1 195 . 1 1 22 22 PHE HD1 H 1 7.160 0.04 . 3 . . . . 22 PHE HD1 . 15300 1 196 . 1 1 22 22 PHE HD2 H 1 7.160 0.04 . 3 . . . . 22 PHE HD2 . 15300 1 197 . 1 1 22 22 PHE HE1 H 1 7.122 0.04 . 3 . . . . 22 PHE HE1 . 15300 1 198 . 1 1 22 22 PHE HE2 H 1 7.122 0.04 . 3 . . . . 22 PHE HE2 . 15300 1 199 . 1 1 22 22 PHE HZ H 1 6.679 0.04 . 1 . . . . 22 PHE HZ . 15300 1 200 . 1 1 22 22 PHE C C 13 174.898 0.4 . 1 . . . . 22 PHE C . 15300 1 201 . 1 1 22 22 PHE CA C 13 60.588 0.4 . 1 . . . . 22 PHE CA . 15300 1 202 . 1 1 22 22 PHE CB C 13 43.476 0.4 . 1 . . . . 22 PHE CB . 15300 1 203 . 1 1 22 22 PHE N N 15 117.990 0.1 . 1 . . . . 22 PHE N . 15300 1 204 . 1 1 23 23 HIS H H 1 8.450 0.04 . 1 . . . . 23 HIS H . 15300 1 205 . 1 1 23 23 HIS HA H 1 4.756 0.04 . 1 . . . . 23 HIS HA . 15300 1 206 . 1 1 23 23 HIS HB2 H 1 3.364 0.04 . 2 . . . . 23 HIS HB2 . 15300 1 207 . 1 1 23 23 HIS HB3 H 1 3.319 0.04 . 2 . . . . 23 HIS HB3 . 15300 1 208 . 1 1 23 23 HIS HD2 H 1 5.462 0.04 . 1 . . . . 23 HIS HD2 . 15300 1 209 . 1 1 23 23 HIS HE1 H 1 9.551 0.04 . 1 . . . . 23 HIS HE1 . 15300 1 210 . 1 1 23 23 HIS C C 13 174.752 0.4 . 1 . . . . 23 HIS C . 15300 1 211 . 1 1 23 23 HIS CA C 13 57.078 0.4 . 1 . . . . 23 HIS CA . 15300 1 212 . 1 1 23 23 HIS CB C 13 33.346 0.4 . 1 . . . . 23 HIS CB . 15300 1 213 . 1 1 23 23 HIS N N 15 123.847 0.1 . 1 . . . . 23 HIS N . 15300 1 214 . 1 1 24 24 LYS H H 1 8.815 0.04 . 1 . . . . 24 LYS H . 15300 1 215 . 1 1 24 24 LYS HA H 1 4.864 0.04 . 1 . . . . 24 LYS HA . 15300 1 216 . 1 1 24 24 LYS HB2 H 1 2.194 0.04 . 2 . . . . 24 LYS HB2 . 15300 1 217 . 1 1 24 24 LYS HB3 H 1 1.841 0.04 . 2 . . . . 24 LYS HB3 . 15300 1 218 . 1 1 24 24 LYS HE2 H 1 3.104 0.04 . 1 . . . . 24 LYS HE2 . 15300 1 219 . 1 1 24 24 LYS HE3 H 1 3.104 0.04 . 1 . . . . 24 LYS HE3 . 15300 1 220 . 1 1 24 24 LYS HG2 H 1 1.633 0.04 . 1 . . . . 24 LYS HG2 . 15300 1 221 . 1 1 24 24 LYS HG3 H 1 1.633 0.04 . 1 . . . . 24 LYS HG3 . 15300 1 222 . 1 1 24 24 LYS C C 13 176.411 0.4 . 1 . . . . 24 LYS C . 15300 1 223 . 1 1 24 24 LYS CA C 13 58.461 0.4 . 1 . . . . 24 LYS CA . 15300 1 224 . 1 1 24 24 LYS CB C 13 34.864 0.4 . 1 . . . . 24 LYS CB . 15300 1 225 . 1 1 24 24 LYS N N 15 125.030 0.1 . 1 . . . . 24 LYS N . 15300 1 226 . 1 1 25 25 PHE H H 1 8.365 0.04 . 1 . . . . 25 PHE H . 15300 1 227 . 1 1 25 25 PHE HA H 1 4.008 0.04 . 1 . . . . 25 PHE HA . 15300 1 228 . 1 1 25 25 PHE HB2 H 1 3.102 0.04 . 1 . . . . 25 PHE HB2 . 15300 1 229 . 1 1 25 25 PHE HB3 H 1 3.102 0.04 . 1 . . . . 25 PHE HB3 . 15300 1 230 . 1 1 25 25 PHE HD1 H 1 7.622 0.04 . 3 . . . . 25 PHE HD1 . 15300 1 231 . 1 1 25 25 PHE HD2 H 1 7.622 0.04 . 3 . . . . 25 PHE HD2 . 15300 1 232 . 1 1 25 25 PHE HE1 H 1 7.385 0.04 . 3 . . . . 25 PHE HE1 . 15300 1 233 . 1 1 25 25 PHE HE2 H 1 7.385 0.04 . 3 . . . . 25 PHE HE2 . 15300 1 234 . 1 1 25 25 PHE HZ H 1 7.336 0.04 . 1 . . . . 25 PHE HZ . 15300 1 235 . 1 1 25 25 PHE C C 13 176.329 0.4 . 1 . . . . 25 PHE C . 15300 1 236 . 1 1 25 25 PHE CA C 13 58.507 0.4 . 1 . . . . 25 PHE CA . 15300 1 237 . 1 1 25 25 PHE CB C 13 40.563 0.4 . 1 . . . . 25 PHE CB . 15300 1 238 . 1 1 25 25 PHE N N 15 118.881 0.1 . 1 . . . . 25 PHE N . 15300 1 239 . 1 1 26 26 PRO HA H 1 4.696 0.04 . 1 . . . . 26 PRO HA . 15300 1 240 . 1 1 26 26 PRO HB2 H 1 2.080 0.04 . 2 . . . . 26 PRO HB2 . 15300 1 241 . 1 1 26 26 PRO HB3 H 1 1.599 0.04 . 2 . . . . 26 PRO HB3 . 15300 1 242 . 1 1 26 26 PRO HG2 H 1 1.530 0.04 . 2 . . . . 26 PRO HG2 . 15300 1 243 . 1 1 26 26 PRO HG3 H 1 1.503 0.04 . 2 . . . . 26 PRO HG3 . 15300 1 244 . 1 1 26 26 PRO C C 13 176.098 0.4 . 1 . . . . 26 PRO C . 15300 1 245 . 1 1 26 26 PRO CA C 13 63.501 0.4 . 1 . . . . 26 PRO CA . 15300 1 246 . 1 1 26 26 PRO CB C 13 29.571 0.4 . 1 . . . . 26 PRO CB . 15300 1 247 . 1 1 27 27 LEU H H 1 8.005 0.04 . 1 . . . . 27 LEU H . 15300 1 248 . 1 1 27 27 LEU HA H 1 4.346 0.04 . 1 . . . . 27 LEU HA . 15300 1 249 . 1 1 27 27 LEU HB2 H 1 2.040 0.04 . 2 . . . . 27 LEU HB2 . 15300 1 250 . 1 1 27 27 LEU HB3 H 1 2.021 0.04 . 2 . . . . 27 LEU HB3 . 15300 1 251 . 1 1 27 27 LEU HD11 H 1 0.928 0.04 . 2 . . . . 27 LEU HD11 . 15300 1 252 . 1 1 27 27 LEU HD12 H 1 0.928 0.04 . 2 . . . . 27 LEU HD12 . 15300 1 253 . 1 1 27 27 LEU HD13 H 1 0.928 0.04 . 2 . . . . 27 LEU HD13 . 15300 1 254 . 1 1 27 27 LEU HD21 H 1 0.895 0.04 . 2 . . . . 27 LEU HD21 . 15300 1 255 . 1 1 27 27 LEU HD22 H 1 0.895 0.04 . 2 . . . . 27 LEU HD22 . 15300 1 256 . 1 1 27 27 LEU HD23 H 1 0.895 0.04 . 2 . . . . 27 LEU HD23 . 15300 1 257 . 1 1 27 27 LEU HG H 1 1.570 0.04 . 1 . . . . 27 LEU HG . 15300 1 258 . 1 1 27 27 LEU C C 13 178.772 0.4 . 1 . . . . 27 LEU C . 15300 1 259 . 1 1 27 27 LEU CA C 13 60.433 0.4 . 1 . . . . 27 LEU CA . 15300 1 260 . 1 1 27 27 LEU CB C 13 44.542 0.4 . 1 . . . . 27 LEU CB . 15300 1 261 . 1 1 27 27 LEU N N 15 122.470 0.1 . 1 . . . . 27 LEU N . 15300 1 262 . 1 1 28 28 THR H H 1 7.693 0.04 . 1 . . . . 28 THR H . 15300 1 263 . 1 1 28 28 THR HA H 1 4.295 0.04 . 1 . . . . 28 THR HA . 15300 1 264 . 1 1 28 28 THR HB H 1 4.565 0.04 . 1 . . . . 28 THR HB . 15300 1 265 . 1 1 28 28 THR HG21 H 1 1.207 0.04 . 1 . . . . 28 THR HG21 . 15300 1 266 . 1 1 28 28 THR HG22 H 1 1.207 0.04 . 1 . . . . 28 THR HG22 . 15300 1 267 . 1 1 28 28 THR HG23 H 1 1.207 0.04 . 1 . . . . 28 THR HG23 . 15300 1 268 . 1 1 28 28 THR C C 13 174.004 0.4 . 1 . . . . 28 THR C . 15300 1 269 . 1 1 28 28 THR CA C 13 64.103 0.4 . 1 . . . . 28 THR CA . 15300 1 270 . 1 1 28 28 THR CB C 13 71.021 0.4 . 1 . . . . 28 THR CB . 15300 1 271 . 1 1 28 28 THR N N 15 104.312 0.1 . 1 . . . . 28 THR N . 15300 1 272 . 1 1 29 29 ARG H H 1 7.713 0.04 . 1 . . . . 29 ARG H . 15300 1 273 . 1 1 29 29 ARG HA H 1 4.941 0.04 . 1 . . . . 29 ARG HA . 15300 1 274 . 1 1 29 29 ARG HB2 H 1 1.977 0.04 . 2 . . . . 29 ARG HB2 . 15300 1 275 . 1 1 29 29 ARG HB3 H 1 1.835 0.04 . 2 . . . . 29 ARG HB3 . 15300 1 276 . 1 1 29 29 ARG HD2 H 1 3.197 0.04 . 1 . . . . 29 ARG HD2 . 15300 1 277 . 1 1 29 29 ARG HD3 H 1 3.197 0.04 . 1 . . . . 29 ARG HD3 . 15300 1 278 . 1 1 29 29 ARG HG2 H 1 1.576 0.04 . 1 . . . . 29 ARG HG2 . 15300 1 279 . 1 1 29 29 ARG HG3 H 1 1.576 0.04 . 1 . . . . 29 ARG HG3 . 15300 1 280 . 1 1 29 29 ARG CA C 13 55.427 0.4 . 1 . . . . 29 ARG CA . 15300 1 281 . 1 1 29 29 ARG CB C 13 33.003 0.4 . 1 . . . . 29 ARG CB . 15300 1 282 . 1 1 29 29 ARG N N 15 123.085 0.1 . 1 . . . . 29 ARG N . 15300 1 283 . 1 1 30 30 PRO HA H 1 4.119 0.04 . 1 . . . . 30 PRO HA . 15300 1 284 . 1 1 30 30 PRO HB2 H 1 2.432 0.04 . 2 . . . . 30 PRO HB2 . 15300 1 285 . 1 1 30 30 PRO HB3 H 1 2.155 0.04 . 2 . . . . 30 PRO HB3 . 15300 1 286 . 1 1 30 30 PRO HD2 H 1 3.825 0.04 . 2 . . . . 30 PRO HD2 . 15300 1 287 . 1 1 30 30 PRO HD3 H 1 3.605 0.04 . 2 . . . . 30 PRO HD3 . 15300 1 288 . 1 1 30 30 PRO HG2 H 1 2.012 0.04 . 1 . . . . 30 PRO HG2 . 15300 1 289 . 1 1 30 30 PRO HG3 H 1 2.012 0.04 . 1 . . . . 30 PRO HG3 . 15300 1 290 . 1 1 31 31 SER HA H 1 4.123 0.04 . 1 . . . . 31 SER HA . 15300 1 291 . 1 1 31 31 SER HB2 H 1 3.951 0.04 . 1 . . . . 31 SER HB2 . 15300 1 292 . 1 1 31 31 SER HB3 H 1 3.951 0.04 . 1 . . . . 31 SER HB3 . 15300 1 293 . 1 1 31 31 SER C C 13 176.542 0.4 . 1 . . . . 31 SER C . 15300 1 294 . 1 1 31 31 SER CA C 13 63.845 0.4 . 1 . . . . 31 SER CA . 15300 1 295 . 1 1 31 31 SER CB C 13 63.850 0.4 . 1 . . . . 31 SER CB . 15300 1 296 . 1 1 32 32 LEU H H 1 7.264 0.04 . 1 . . . . 32 LEU H . 15300 1 297 . 1 1 32 32 LEU HA H 1 4.462 0.04 . 1 . . . . 32 LEU HA . 15300 1 298 . 1 1 32 32 LEU HB2 H 1 1.632 0.04 . 2 . . . . 32 LEU HB2 . 15300 1 299 . 1 1 32 32 LEU HB3 H 1 1.799 0.04 . 2 . . . . 32 LEU HB3 . 15300 1 300 . 1 1 32 32 LEU HD11 H 1 1.077 0.04 . 2 . . . . 32 LEU HD11 . 15300 1 301 . 1 1 32 32 LEU HD12 H 1 1.077 0.04 . 2 . . . . 32 LEU HD12 . 15300 1 302 . 1 1 32 32 LEU HD13 H 1 1.077 0.04 . 2 . . . . 32 LEU HD13 . 15300 1 303 . 1 1 32 32 LEU HD21 H 1 1.058 0.04 . 2 . . . . 32 LEU HD21 . 15300 1 304 . 1 1 32 32 LEU HD22 H 1 1.058 0.04 . 2 . . . . 32 LEU HD22 . 15300 1 305 . 1 1 32 32 LEU HD23 H 1 1.058 0.04 . 2 . . . . 32 LEU HD23 . 15300 1 306 . 1 1 32 32 LEU HG H 1 1.571 0.04 . 1 . . . . 32 LEU HG . 15300 1 307 . 1 1 32 32 LEU C C 13 178.761 0.4 . 1 . . . . 32 LEU C . 15300 1 308 . 1 1 32 32 LEU CA C 13 59.077 0.4 . 1 . . . . 32 LEU CA . 15300 1 309 . 1 1 32 32 LEU CB C 13 44.813 0.4 . 1 . . . . 32 LEU CB . 15300 1 310 . 1 1 32 32 LEU N N 15 125.170 0.1 . 1 . . . . 32 LEU N . 15300 1 311 . 1 1 33 33 CYS H H 1 8.963 0.04 . 1 . . . . 33 CYS H . 15300 1 312 . 1 1 33 33 CYS HA H 1 3.686 0.04 . 1 . . . . 33 CYS HA . 15300 1 313 . 1 1 33 33 CYS HB2 H 1 2.853 0.04 . 2 . . . . 33 CYS HB2 . 15300 1 314 . 1 1 33 33 CYS HB3 H 1 2.826 0.04 . 2 . . . . 33 CYS HB3 . 15300 1 315 . 1 1 33 33 CYS C C 13 177.278 0.4 . 1 . . . . 33 CYS C . 15300 1 316 . 1 1 33 33 CYS CA C 13 66.849 0.4 . 1 . . . . 33 CYS CA . 15300 1 317 . 1 1 33 33 CYS CB C 13 28.200 0.4 . 1 . . . . 33 CYS CB . 15300 1 318 . 1 1 33 33 CYS N N 15 120.438 0.1 . 1 . . . . 33 CYS N . 15300 1 319 . 1 1 34 34 LYS H H 1 8.166 0.04 . 1 . . . . 34 LYS H . 15300 1 320 . 1 1 34 34 LYS HA H 1 4.190 0.04 . 1 . . . . 34 LYS HA . 15300 1 321 . 1 1 34 34 LYS HB2 H 1 2.052 0.04 . 2 . . . . 34 LYS HB2 . 15300 1 322 . 1 1 34 34 LYS HB3 H 1 1.993 0.04 . 2 . . . . 34 LYS HB3 . 15300 1 323 . 1 1 34 34 LYS HD2 H 1 0.926 0.04 . 1 . . . . 34 LYS HD2 . 15300 1 324 . 1 1 34 34 LYS HD3 H 1 0.926 0.04 . 1 . . . . 34 LYS HD3 . 15300 1 325 . 1 1 34 34 LYS HG2 H 1 0.793 0.04 . 1 . . . . 34 LYS HG2 . 15300 1 326 . 1 1 34 34 LYS HG3 H 1 0.793 0.04 . 1 . . . . 34 LYS HG3 . 15300 1 327 . 1 1 34 34 LYS C C 13 179.592 0.4 . 1 . . . . 34 LYS C . 15300 1 328 . 1 1 34 34 LYS CA C 13 62.016 0.4 . 1 . . . . 34 LYS CA . 15300 1 329 . 1 1 34 34 LYS CB C 13 34.024 0.4 . 1 . . . . 34 LYS CB . 15300 1 330 . 1 1 34 34 LYS N N 15 117.700 0.1 . 1 . . . . 34 LYS N . 15300 1 331 . 1 1 35 35 GLU H H 1 7.582 0.04 . 1 . . . . 35 GLU H . 15300 1 332 . 1 1 35 35 GLU HA H 1 4.364 0.04 . 1 . . . . 35 GLU HA . 15300 1 333 . 1 1 35 35 GLU HB2 H 1 2.378 0.04 . 1 . . . . 35 GLU HB2 . 15300 1 334 . 1 1 35 35 GLU HB3 H 1 2.378 0.04 . 1 . . . . 35 GLU HB3 . 15300 1 335 . 1 1 35 35 GLU HG2 H 1 2.614 0.04 . 2 . . . . 35 GLU HG2 . 15300 1 336 . 1 1 35 35 GLU HG3 H 1 2.589 0.04 . 2 . . . . 35 GLU HG3 . 15300 1 337 . 1 1 35 35 GLU C C 13 180.551 0.4 . 1 . . . . 35 GLU C . 15300 1 338 . 1 1 35 35 GLU CA C 13 61.517 0.4 . 1 . . . . 35 GLU CA . 15300 1 339 . 1 1 35 35 GLU CB C 13 32.057 0.4 . 1 . . . . 35 GLU CB . 15300 1 340 . 1 1 35 35 GLU N N 15 119.740 0.1 . 1 . . . . 35 GLU N . 15300 1 341 . 1 1 36 36 TRP H H 1 8.515 0.04 . 1 . . . . 36 TRP H . 15300 1 342 . 1 1 36 36 TRP HA H 1 4.120 0.04 . 1 . . . . 36 TRP HA . 15300 1 343 . 1 1 36 36 TRP HB2 H 1 3.102 0.04 . 2 . . . . 36 TRP HB2 . 15300 1 344 . 1 1 36 36 TRP HB3 H 1 3.700 0.04 . 2 . . . . 36 TRP HB3 . 15300 1 345 . 1 1 36 36 TRP HE1 H 1 10.481 0.04 . 1 . . . . 36 TRP HE1 . 15300 1 346 . 1 1 36 36 TRP HE3 H 1 7.442 0.04 . 1 . . . . 36 TRP HE3 . 15300 1 347 . 1 1 36 36 TRP HH2 H 1 6.767 0.04 . 1 . . . . 36 TRP HH2 . 15300 1 348 . 1 1 36 36 TRP HZ2 H 1 6.964 0.04 . 1 . . . . 36 TRP HZ2 . 15300 1 349 . 1 1 36 36 TRP HZ3 H 1 5.966 0.04 . 1 . . . . 36 TRP HZ3 . 15300 1 350 . 1 1 36 36 TRP C C 13 178.247 0.4 . 1 . . . . 36 TRP C . 15300 1 351 . 1 1 36 36 TRP CA C 13 64.411 0.4 . 1 . . . . 36 TRP CA . 15300 1 352 . 1 1 36 36 TRP CB C 13 30.856 0.4 . 1 . . . . 36 TRP CB . 15300 1 353 . 1 1 36 36 TRP N N 15 122.166 0.1 . 1 . . . . 36 TRP N . 15300 1 354 . 1 1 36 36 TRP NE1 N 15 128.629 0.1 . 1 . . . . 36 TRP NE1 . 15300 1 355 . 1 1 37 37 GLU H H 1 9.117 0.04 . 1 . . . . 37 GLU H . 15300 1 356 . 1 1 37 37 GLU HA H 1 4.121 0.04 . 1 . . . . 37 GLU HA . 15300 1 357 . 1 1 37 37 GLU HB2 H 1 2.390 0.04 . 2 . . . . 37 GLU HB2 . 15300 1 358 . 1 1 37 37 GLU HB3 H 1 2.352 0.04 . 2 . . . . 37 GLU HB3 . 15300 1 359 . 1 1 37 37 GLU HG2 H 1 2.884 0.04 . 1 . . . . 37 GLU HG2 . 15300 1 360 . 1 1 37 37 GLU HG3 H 1 2.884 0.04 . 1 . . . . 37 GLU HG3 . 15300 1 361 . 1 1 37 37 GLU C C 13 179.276 0.4 . 1 . . . . 37 GLU C . 15300 1 362 . 1 1 37 37 GLU CA C 13 63.027 0.4 . 1 . . . . 37 GLU CA . 15300 1 363 . 1 1 37 37 GLU CB C 13 32.552 0.4 . 1 . . . . 37 GLU CB . 15300 1 364 . 1 1 37 37 GLU N N 15 118.363 0.1 . 1 . . . . 37 GLU N . 15300 1 365 . 1 1 38 38 ALA H H 1 8.083 0.04 . 1 . . . . 38 ALA H . 15300 1 366 . 1 1 38 38 ALA HA H 1 4.191 0.04 . 1 . . . . 38 ALA HA . 15300 1 367 . 1 1 38 38 ALA HB1 H 1 1.555 0.04 . 1 . . . . 38 ALA HB1 . 15300 1 368 . 1 1 38 38 ALA HB2 H 1 1.555 0.04 . 1 . . . . 38 ALA HB2 . 15300 1 369 . 1 1 38 38 ALA HB3 H 1 1.555 0.04 . 1 . . . . 38 ALA HB3 . 15300 1 370 . 1 1 38 38 ALA C C 13 179.136 0.4 . 1 . . . . 38 ALA C . 15300 1 371 . 1 1 38 38 ALA CA C 13 56.800 0.4 . 1 . . . . 38 ALA CA . 15300 1 372 . 1 1 38 38 ALA CB C 13 20.064 0.4 . 1 . . . . 38 ALA CB . 15300 1 373 . 1 1 38 38 ALA N N 15 121.765 0.1 . 1 . . . . 38 ALA N . 15300 1 374 . 1 1 39 39 ALA H H 1 7.483 0.04 . 1 . . . . 39 ALA H . 15300 1 375 . 1 1 39 39 ALA HA H 1 3.798 0.04 . 1 . . . . 39 ALA HA . 15300 1 376 . 1 1 39 39 ALA HB1 H 1 1.368 0.04 . 1 . . . . 39 ALA HB1 . 15300 1 377 . 1 1 39 39 ALA HB2 H 1 1.368 0.04 . 1 . . . . 39 ALA HB2 . 15300 1 378 . 1 1 39 39 ALA HB3 H 1 1.368 0.04 . 1 . . . . 39 ALA HB3 . 15300 1 379 . 1 1 39 39 ALA C C 13 177.722 0.4 . 1 . . . . 39 ALA C . 15300 1 380 . 1 1 39 39 ALA CA C 13 56.213 0.4 . 1 . . . . 39 ALA CA . 15300 1 381 . 1 1 39 39 ALA CB C 13 21.288 0.4 . 1 . . . . 39 ALA CB . 15300 1 382 . 1 1 39 39 ALA N N 15 119.893 0.1 . 1 . . . . 39 ALA N . 15300 1 383 . 1 1 40 40 VAL H H 1 7.335 0.04 . 1 . . . . 40 VAL H . 15300 1 384 . 1 1 40 40 VAL HA H 1 3.306 0.04 . 1 . . . . 40 VAL HA . 15300 1 385 . 1 1 40 40 VAL HB H 1 2.126 0.04 . 1 . . . . 40 VAL HB . 15300 1 386 . 1 1 40 40 VAL HG11 H 1 0.829 0.04 . 2 . . . . 40 VAL HG11 . 15300 1 387 . 1 1 40 40 VAL HG12 H 1 0.829 0.04 . 2 . . . . 40 VAL HG12 . 15300 1 388 . 1 1 40 40 VAL HG13 H 1 0.829 0.04 . 2 . . . . 40 VAL HG13 . 15300 1 389 . 1 1 40 40 VAL HG21 H 1 0.623 0.04 . 2 . . . . 40 VAL HG21 . 15300 1 390 . 1 1 40 40 VAL HG22 H 1 0.623 0.04 . 2 . . . . 40 VAL HG22 . 15300 1 391 . 1 1 40 40 VAL HG23 H 1 0.623 0.04 . 2 . . . . 40 VAL HG23 . 15300 1 392 . 1 1 40 40 VAL C C 13 175.982 0.4 . 1 . . . . 40 VAL C . 15300 1 393 . 1 1 40 40 VAL CA C 13 65.864 0.4 . 1 . . . . 40 VAL CA . 15300 1 394 . 1 1 40 40 VAL CB C 13 34.270 0.4 . 1 . . . . 40 VAL CB . 15300 1 395 . 1 1 40 40 VAL N N 15 114.013 0.1 . 1 . . . . 40 VAL N . 15300 1 396 . 1 1 41 41 ARG H H 1 7.323 0.04 . 1 . . . . 41 ARG H . 15300 1 397 . 1 1 41 41 ARG HA H 1 3.777 0.04 . 1 . . . . 41 ARG HA . 15300 1 398 . 1 1 41 41 ARG HB2 H 1 1.688 0.04 . 2 . . . . 41 ARG HB2 . 15300 1 399 . 1 1 41 41 ARG HB3 H 1 1.671 0.04 . 2 . . . . 41 ARG HB3 . 15300 1 400 . 1 1 41 41 ARG HD2 H 1 3.293 0.04 . 1 . . . . 41 ARG HD2 . 15300 1 401 . 1 1 41 41 ARG HD3 H 1 3.293 0.04 . 1 . . . . 41 ARG HD3 . 15300 1 402 . 1 1 41 41 ARG HG2 H 1 1.461 0.04 . 1 . . . . 41 ARG HG2 . 15300 1 403 . 1 1 41 41 ARG HG3 H 1 1.461 0.04 . 1 . . . . 41 ARG HG3 . 15300 1 404 . 1 1 41 41 ARG C C 13 175.171 0.4 . 1 . . . . 41 ARG C . 15300 1 405 . 1 1 41 41 ARG CA C 13 59.214 0.4 . 1 . . . . 41 ARG CA . 15300 1 406 . 1 1 41 41 ARG CB C 13 30.694 0.4 . 1 . . . . 41 ARG CB . 15300 1 407 . 1 1 41 41 ARG N N 15 115.552 0.1 . 1 . . . . 41 ARG N . 15300 1 408 . 1 1 42 42 ARG H H 1 8.242 0.04 . 1 . . . . 42 ARG H . 15300 1 409 . 1 1 42 42 ARG HA H 1 4.562 0.04 . 1 . . . . 42 ARG HA . 15300 1 410 . 1 1 42 42 ARG HB2 H 1 1.630 0.04 . 2 . . . . 42 ARG HB2 . 15300 1 411 . 1 1 42 42 ARG HB3 H 1 1.573 0.04 . 2 . . . . 42 ARG HB3 . 15300 1 412 . 1 1 42 42 ARG HD2 H 1 2.871 0.04 . 1 . . . . 42 ARG HD2 . 15300 1 413 . 1 1 42 42 ARG HD3 H 1 2.871 0.04 . 1 . . . . 42 ARG HD3 . 15300 1 414 . 1 1 42 42 ARG HG2 H 1 1.438 0.04 . 1 . . . . 42 ARG HG2 . 15300 1 415 . 1 1 42 42 ARG HG3 H 1 1.438 0.04 . 1 . . . . 42 ARG HG3 . 15300 1 416 . 1 1 42 42 ARG C C 13 176.369 0.4 . 1 . . . . 42 ARG C . 15300 1 417 . 1 1 42 42 ARG CA C 13 56.741 0.4 . 1 . . . . 42 ARG CA . 15300 1 418 . 1 1 42 42 ARG CB C 13 35.547 0.4 . 1 . . . . 42 ARG CB . 15300 1 419 . 1 1 42 42 ARG N N 15 119.568 0.1 . 1 . . . . 42 ARG N . 15300 1 420 . 1 1 43 43 LYS H H 1 8.987 0.04 . 1 . . . . 43 LYS H . 15300 1 421 . 1 1 43 43 LYS HA H 1 4.139 0.04 . 1 . . . . 43 LYS HA . 15300 1 422 . 1 1 43 43 LYS HB2 H 1 1.812 0.04 . 1 . . . . 43 LYS HB2 . 15300 1 423 . 1 1 43 43 LYS HB3 H 1 1.812 0.04 . 1 . . . . 43 LYS HB3 . 15300 1 424 . 1 1 43 43 LYS HD2 H 1 1.637 0.04 . 1 . . . . 43 LYS HD2 . 15300 1 425 . 1 1 43 43 LYS HD3 H 1 1.637 0.04 . 1 . . . . 43 LYS HD3 . 15300 1 426 . 1 1 43 43 LYS HE2 H 1 2.873 0.04 . 1 . . . . 43 LYS HE2 . 15300 1 427 . 1 1 43 43 LYS HE3 H 1 2.873 0.04 . 1 . . . . 43 LYS HE3 . 15300 1 428 . 1 1 43 43 LYS HG2 H 1 1.085 0.04 . 1 . . . . 43 LYS HG2 . 15300 1 429 . 1 1 43 43 LYS HG3 H 1 1.085 0.04 . 1 . . . . 43 LYS HG3 . 15300 1 430 . 1 1 43 43 LYS C C 13 177.159 0.4 . 1 . . . . 43 LYS C . 15300 1 431 . 1 1 43 43 LYS CA C 13 59.598 0.4 . 1 . . . . 43 LYS CA . 15300 1 432 . 1 1 43 43 LYS CB C 13 35.060 0.4 . 1 . . . . 43 LYS CB . 15300 1 433 . 1 1 43 43 LYS N N 15 125.001 0.1 . 1 . . . . 43 LYS N . 15300 1 434 . 1 1 44 44 ASN H H 1 9.006 0.04 . 1 . . . . 44 ASN H . 15300 1 435 . 1 1 44 44 ASN HA H 1 4.452 0.04 . 1 . . . . 44 ASN HA . 15300 1 436 . 1 1 44 44 ASN HB2 H 1 2.925 0.04 . 2 . . . . 44 ASN HB2 . 15300 1 437 . 1 1 44 44 ASN HB3 H 1 2.974 0.04 . 2 . . . . 44 ASN HB3 . 15300 1 438 . 1 1 44 44 ASN HD21 H 1 7.648 0.04 . 1 . . . . 44 ASN HD21 . 15300 1 439 . 1 1 44 44 ASN HD22 H 1 6.969 0.04 . 1 . . . . 44 ASN HD22 . 15300 1 440 . 1 1 44 44 ASN C C 13 173.834 0.4 . 1 . . . . 44 ASN C . 15300 1 441 . 1 1 44 44 ASN CA C 13 56.419 0.4 . 1 . . . . 44 ASN CA . 15300 1 442 . 1 1 44 44 ASN CB C 13 39.788 0.4 . 1 . . . . 44 ASN CB . 15300 1 443 . 1 1 44 44 ASN N N 15 119.273 0.1 . 1 . . . . 44 ASN N . 15300 1 444 . 1 1 44 44 ASN ND2 N 15 113.291 0.1 . 1 . . . . 44 ASN ND2 . 15300 1 445 . 1 1 45 45 PHE H H 1 7.839 0.04 . 1 . . . . 45 PHE H . 15300 1 446 . 1 1 45 45 PHE HA H 1 4.559 0.04 . 1 . . . . 45 PHE HA . 15300 1 447 . 1 1 45 45 PHE HB2 H 1 2.975 0.04 . 2 . . . . 45 PHE HB2 . 15300 1 448 . 1 1 45 45 PHE HB3 H 1 2.861 0.04 . 2 . . . . 45 PHE HB3 . 15300 1 449 . 1 1 45 45 PHE HD1 H 1 7.161 0.04 . 3 . . . . 45 PHE HD1 . 15300 1 450 . 1 1 45 45 PHE HD2 H 1 7.161 0.04 . 3 . . . . 45 PHE HD2 . 15300 1 451 . 1 1 45 45 PHE HE1 H 1 7.628 0.04 . 3 . . . . 45 PHE HE1 . 15300 1 452 . 1 1 45 45 PHE HE2 H 1 7.628 0.04 . 3 . . . . 45 PHE HE2 . 15300 1 453 . 1 1 45 45 PHE HZ H 1 7.393 0.04 . 1 . . . . 45 PHE HZ . 15300 1 454 . 1 1 45 45 PHE C C 13 173.996 0.4 . 1 . . . . 45 PHE C . 15300 1 455 . 1 1 45 45 PHE CA C 13 60.314 0.4 . 1 . . . . 45 PHE CA . 15300 1 456 . 1 1 45 45 PHE CB C 13 44.028 0.4 . 1 . . . . 45 PHE CB . 15300 1 457 . 1 1 45 45 PHE N N 15 119.864 0.1 . 1 . . . . 45 PHE N . 15300 1 458 . 1 1 46 46 LYS H H 1 7.516 0.04 . 1 . . . . 46 LYS H . 15300 1 459 . 1 1 46 46 LYS HA H 1 4.332 0.04 . 1 . . . . 46 LYS HA . 15300 1 460 . 1 1 46 46 LYS HB2 H 1 1.496 0.04 . 2 . . . . 46 LYS HB2 . 15300 1 461 . 1 1 46 46 LYS HB3 H 1 1.421 0.04 . 2 . . . . 46 LYS HB3 . 15300 1 462 . 1 1 46 46 LYS HD2 H 1 1.271 0.04 . 1 . . . . 46 LYS HD2 . 15300 1 463 . 1 1 46 46 LYS HD3 H 1 1.271 0.04 . 1 . . . . 46 LYS HD3 . 15300 1 464 . 1 1 46 46 LYS HE2 H 1 2.908 0.04 . 1 . . . . 46 LYS HE2 . 15300 1 465 . 1 1 46 46 LYS HE3 H 1 2.908 0.04 . 1 . . . . 46 LYS HE3 . 15300 1 466 . 1 1 46 46 LYS HG2 H 1 1.195 0.04 . 1 . . . . 46 LYS HG2 . 15300 1 467 . 1 1 46 46 LYS HG3 H 1 1.195 0.04 . 1 . . . . 46 LYS HG3 . 15300 1 468 . 1 1 46 46 LYS CA C 13 54.147 0.4 . 1 . . . . 46 LYS CA . 15300 1 469 . 1 1 46 46 LYS CB C 13 36.023 0.4 . 1 . . . . 46 LYS CB . 15300 1 470 . 1 1 46 46 LYS N N 15 129.570 0.1 . 1 . . . . 46 LYS N . 15300 1 471 . 1 1 47 47 PRO HA H 1 3.866 0.04 . 1 . . . . 47 PRO HA . 15300 1 472 . 1 1 47 47 PRO HB2 H 1 1.630 0.04 . 2 . . . . 47 PRO HB2 . 15300 1 473 . 1 1 47 47 PRO HB3 H 1 1.384 0.04 . 2 . . . . 47 PRO HB3 . 15300 1 474 . 1 1 47 47 PRO HD2 H 1 3.429 0.04 . 2 . . . . 47 PRO HD2 . 15300 1 475 . 1 1 47 47 PRO HD3 H 1 2.921 0.04 . 2 . . . . 47 PRO HD3 . 15300 1 476 . 1 1 47 47 PRO HG2 H 1 0.870 0.04 . 1 . . . . 47 PRO HG2 . 15300 1 477 . 1 1 47 47 PRO HG3 H 1 0.870 0.04 . 1 . . . . 47 PRO HG3 . 15300 1 478 . 1 1 47 47 PRO C C 13 175.977 0.4 . 1 . . . . 47 PRO C . 15300 1 479 . 1 1 47 47 PRO CA C 13 63.982 0.4 . 1 . . . . 47 PRO CA . 15300 1 480 . 1 1 47 47 PRO CB C 13 33.507 0.4 . 1 . . . . 47 PRO CB . 15300 1 481 . 1 1 48 48 THR H H 1 8.561 0.04 . 1 . . . . 48 THR H . 15300 1 482 . 1 1 48 48 THR HA H 1 4.586 0.04 . 1 . . . . 48 THR HA . 15300 1 483 . 1 1 48 48 THR HB H 1 4.611 0.04 . 1 . . . . 48 THR HB . 15300 1 484 . 1 1 48 48 THR HG21 H 1 1.203 0.04 . 1 . . . . 48 THR HG21 . 15300 1 485 . 1 1 48 48 THR HG22 H 1 1.203 0.04 . 1 . . . . 48 THR HG22 . 15300 1 486 . 1 1 48 48 THR HG23 H 1 1.203 0.04 . 1 . . . . 48 THR HG23 . 15300 1 487 . 1 1 48 48 THR CA C 13 61.960 0.4 . 1 . . . . 48 THR CA . 15300 1 488 . 1 1 48 48 THR CB C 13 74.925 0.4 . 1 . . . . 48 THR CB . 15300 1 489 . 1 1 48 48 THR N N 15 111.217 0.1 . 1 . . . . 48 THR N . 15300 1 490 . 1 1 49 49 LYS H H 1 8.056 0.04 . 1 . . . . 49 LYS H . 15300 1 491 . 1 1 49 49 LYS HA H 1 4.130 0.04 . 1 . . . . 49 LYS HA . 15300 1 492 . 1 1 49 49 LYS HB2 H 1 1.663 0.04 . 2 . . . . 49 LYS HB2 . 15300 1 493 . 1 1 49 49 LYS HB3 H 1 1.521 0.04 . 2 . . . . 49 LYS HB3 . 15300 1 494 . 1 1 49 49 LYS HD2 H 1 1.026 0.04 . 1 . . . . 49 LYS HD2 . 15300 1 495 . 1 1 49 49 LYS HD3 H 1 1.026 0.04 . 1 . . . . 49 LYS HD3 . 15300 1 496 . 1 1 49 49 LYS HE2 H 1 2.798 0.04 . 1 . . . . 49 LYS HE2 . 15300 1 497 . 1 1 49 49 LYS HE3 H 1 2.798 0.04 . 1 . . . . 49 LYS HE3 . 15300 1 498 . 1 1 49 49 LYS HG2 H 1 0.564 0.04 . 1 . . . . 49 LYS HG2 . 15300 1 499 . 1 1 49 49 LYS HG3 H 1 0.564 0.04 . 1 . . . . 49 LYS HG3 . 15300 1 500 . 1 1 49 49 LYS C C 13 175.445 0.4 . 1 . . . . 49 LYS C . 15300 1 501 . 1 1 49 49 LYS CA C 13 58.551 0.4 . 1 . . . . 49 LYS CA . 15300 1 502 . 1 1 49 49 LYS CB C 13 35.067 0.4 . 1 . . . . 49 LYS CB . 15300 1 503 . 1 1 50 50 TYR H H 1 8.086 0.04 . 1 . . . . 50 TYR H . 15300 1 504 . 1 1 50 50 TYR HA H 1 4.641 0.04 . 1 . . . . 50 TYR HA . 15300 1 505 . 1 1 50 50 TYR HB2 H 1 3.365 0.04 . 2 . . . . 50 TYR HB2 . 15300 1 506 . 1 1 50 50 TYR HB3 H 1 2.670 0.04 . 2 . . . . 50 TYR HB3 . 15300 1 507 . 1 1 50 50 TYR HD1 H 1 7.182 0.04 . 3 . . . . 50 TYR HD1 . 15300 1 508 . 1 1 50 50 TYR HD2 H 1 7.182 0.04 . 3 . . . . 50 TYR HD2 . 15300 1 509 . 1 1 50 50 TYR HE1 H 1 6.865 0.04 . 3 . . . . 50 TYR HE1 . 15300 1 510 . 1 1 50 50 TYR HE2 H 1 6.865 0.04 . 3 . . . . 50 TYR HE2 . 15300 1 511 . 1 1 50 50 TYR C C 13 176.644 0.4 . 1 . . . . 50 TYR C . 15300 1 512 . 1 1 50 50 TYR CA C 13 60.020 0.4 . 1 . . . . 50 TYR CA . 15300 1 513 . 1 1 50 50 TYR CB C 13 40.970 0.4 . 1 . . . . 50 TYR CB . 15300 1 514 . 1 1 50 50 TYR N N 15 116.597 0.1 . 1 . . . . 50 TYR N . 15300 1 515 . 1 1 51 51 SER H H 1 7.645 0.04 . 1 . . . . 51 SER H . 15300 1 516 . 1 1 51 51 SER HA H 1 4.753 0.04 . 1 . . . . 51 SER HA . 15300 1 517 . 1 1 51 51 SER HB2 H 1 3.958 0.04 . 1 . . . . 51 SER HB2 . 15300 1 518 . 1 1 51 51 SER HB3 H 1 3.958 0.04 . 1 . . . . 51 SER HB3 . 15300 1 519 . 1 1 51 51 SER C C 13 174.048 0.4 . 1 . . . . 51 SER C . 15300 1 520 . 1 1 51 51 SER CA C 13 62.263 0.4 . 1 . . . . 51 SER CA . 15300 1 521 . 1 1 51 51 SER CB C 13 66.493 0.4 . 1 . . . . 51 SER CB . 15300 1 522 . 1 1 51 51 SER N N 15 117.901 0.1 . 1 . . . . 51 SER N . 15300 1 523 . 1 1 52 52 SER H H 1 9.581 0.04 . 1 . . . . 52 SER H . 15300 1 524 . 1 1 52 52 SER HA H 1 5.834 0.04 . 1 . . . . 52 SER HA . 15300 1 525 . 1 1 52 52 SER HB2 H 1 3.977 0.04 . 2 . . . . 52 SER HB2 . 15300 1 526 . 1 1 52 52 SER HB3 H 1 3.948 0.04 . 2 . . . . 52 SER HB3 . 15300 1 527 . 1 1 52 52 SER C C 13 172.120 0.4 . 1 . . . . 52 SER C . 15300 1 528 . 1 1 52 52 SER CA C 13 60.563 0.4 . 1 . . . . 52 SER CA . 15300 1 529 . 1 1 52 52 SER CB C 13 69.855 0.4 . 1 . . . . 52 SER CB . 15300 1 530 . 1 1 52 52 SER N N 15 118.960 0.1 . 1 . . . . 52 SER N . 15300 1 531 . 1 1 53 53 ILE H H 1 9.550 0.04 . 1 . . . . 53 ILE H . 15300 1 532 . 1 1 53 53 ILE HA H 1 5.446 0.04 . 1 . . . . 53 ILE HA . 15300 1 533 . 1 1 53 53 ILE HB H 1 1.869 0.04 . 1 . . . . 53 ILE HB . 15300 1 534 . 1 1 53 53 ILE HD11 H 1 0.634 0.04 . 1 . . . . 53 ILE HD11 . 15300 1 535 . 1 1 53 53 ILE HD12 H 1 0.634 0.04 . 1 . . . . 53 ILE HD12 . 15300 1 536 . 1 1 53 53 ILE HD13 H 1 0.634 0.04 . 1 . . . . 53 ILE HD13 . 15300 1 537 . 1 1 53 53 ILE HG12 H 1 1.364 0.04 . 2 . . . . 53 ILE HG12 . 15300 1 538 . 1 1 53 53 ILE HG13 H 1 1.333 0.04 . 2 . . . . 53 ILE HG13 . 15300 1 539 . 1 1 53 53 ILE HG21 H 1 0.906 0.04 . 1 . . . . 53 ILE HG21 . 15300 1 540 . 1 1 53 53 ILE HG22 H 1 0.906 0.04 . 1 . . . . 53 ILE HG22 . 15300 1 541 . 1 1 53 53 ILE HG23 H 1 0.906 0.04 . 1 . . . . 53 ILE HG23 . 15300 1 542 . 1 1 53 53 ILE C C 13 175.970 0.4 . 1 . . . . 53 ILE C . 15300 1 543 . 1 1 53 53 ILE CA C 13 60.588 0.4 . 1 . . . . 53 ILE CA . 15300 1 544 . 1 1 53 53 ILE CB C 13 42.082 0.4 . 1 . . . . 53 ILE CB . 15300 1 545 . 1 1 53 53 ILE N N 15 122.777 0.1 . 1 . . . . 53 ILE N . 15300 1 546 . 1 1 54 54 CYS H H 1 10.483 0.04 . 1 . . . . 54 CYS H . 15300 1 547 . 1 1 54 54 CYS HA H 1 5.318 0.04 . 1 . . . . 54 CYS HA . 15300 1 548 . 1 1 54 54 CYS HB2 H 1 2.421 0.04 . 2 . . . . 54 CYS HB2 . 15300 1 549 . 1 1 54 54 CYS HB3 H 1 2.575 0.04 . 2 . . . . 54 CYS HB3 . 15300 1 550 . 1 1 54 54 CYS C C 13 176.231 0.4 . 1 . . . . 54 CYS C . 15300 1 551 . 1 1 54 54 CYS CA C 13 60.947 0.4 . 1 . . . . 54 CYS CA . 15300 1 552 . 1 1 54 54 CYS CB C 13 32.519 0.4 . 1 . . . . 54 CYS CB . 15300 1 553 . 1 1 54 54 CYS N N 15 132.595 0.1 . 1 . . . . 54 CYS N . 15300 1 554 . 1 1 55 55 SER H H 1 8.753 0.04 . 1 . . . . 55 SER H . 15300 1 555 . 1 1 55 55 SER HA H 1 4.289 0.04 . 1 . . . . 55 SER HA . 15300 1 556 . 1 1 55 55 SER HB2 H 1 4.145 0.04 . 1 . . . . 55 SER HB2 . 15300 1 557 . 1 1 55 55 SER HB3 H 1 4.145 0.04 . 1 . . . . 55 SER HB3 . 15300 1 558 . 1 1 55 55 SER C C 13 176.515 0.4 . 1 . . . . 55 SER C . 15300 1 559 . 1 1 55 55 SER CA C 13 63.788 0.4 . 1 . . . . 55 SER CA . 15300 1 560 . 1 1 55 55 SER CB C 13 65.165 0.4 . 1 . . . . 55 SER CB . 15300 1 561 . 1 1 55 55 SER N N 15 110.842 0.1 . 1 . . . . 55 SER N . 15300 1 562 . 1 1 56 56 GLU H H 1 8.330 0.04 . 1 . . . . 56 GLU H . 15300 1 563 . 1 1 56 56 GLU HA H 1 4.080 0.04 . 1 . . . . 56 GLU HA . 15300 1 564 . 1 1 56 56 GLU HB2 H 1 1.714 0.04 . 2 . . . . 56 GLU HB2 . 15300 1 565 . 1 1 56 56 GLU HB3 H 1 1.334 0.04 . 2 . . . . 56 GLU HB3 . 15300 1 566 . 1 1 56 56 GLU HG2 H 1 2.199 0.04 . 2 . . . . 56 GLU HG2 . 15300 1 567 . 1 1 56 56 GLU HG3 H 1 2.074 0.04 . 2 . . . . 56 GLU HG3 . 15300 1 568 . 1 1 56 56 GLU CA C 13 60.493 0.4 . 1 . . . . 56 GLU CA . 15300 1 569 . 1 1 56 56 GLU CB C 13 30.882 0.4 . 1 . . . . 56 GLU CB . 15300 1 570 . 1 1 56 56 GLU N N 15 121.533 0.1 . 1 . . . . 56 GLU N . 15300 1 571 . 1 1 57 57 HIS H H 1 6.821 0.04 . 1 . . . . 57 HIS H . 15300 1 572 . 1 1 57 57 HIS HA H 1 4.943 0.04 . 1 . . . . 57 HIS HA . 15300 1 573 . 1 1 57 57 HIS HB2 H 1 1.904 0.04 . 2 . . . . 57 HIS HB2 . 15300 1 574 . 1 1 57 57 HIS HB3 H 1 1.872 0.04 . 2 . . . . 57 HIS HB3 . 15300 1 575 . 1 1 57 57 HIS HD1 H 1 11.318 0.04 . 1 . . . . 57 HIS HD1 . 15300 1 576 . 1 1 57 57 HIS HD2 H 1 7.115 0.04 . 1 . . . . 57 HIS HD2 . 15300 1 577 . 1 1 57 57 HIS HE1 H 1 7.926 0.04 . 1 . . . . 57 HIS HE1 . 15300 1 578 . 1 1 57 57 HIS C C 13 173.259 0.4 . 1 . . . . 57 HIS C . 15300 1 579 . 1 1 57 57 HIS CA C 13 56.619 0.4 . 1 . . . . 57 HIS CA . 15300 1 580 . 1 1 57 57 HIS CB C 13 30.718 0.4 . 1 . . . . 57 HIS CB . 15300 1 581 . 1 1 57 57 HIS N N 15 113.564 0.1 . 1 . . . . 57 HIS N . 15300 1 582 . 1 1 57 57 HIS ND1 N 15 143.374 0.1 . 1 . . . . 57 HIS ND1 . 15300 1 583 . 1 1 58 58 PHE H H 1 7.426 0.04 . 1 . . . . 58 PHE H . 15300 1 584 . 1 1 58 58 PHE HA H 1 5.124 0.04 . 1 . . . . 58 PHE HA . 15300 1 585 . 1 1 58 58 PHE HB2 H 1 2.804 0.04 . 2 . . . . 58 PHE HB2 . 15300 1 586 . 1 1 58 58 PHE HB3 H 1 2.712 0.04 . 2 . . . . 58 PHE HB3 . 15300 1 587 . 1 1 58 58 PHE HD1 H 1 7.024 0.04 . 3 . . . . 58 PHE HD1 . 15300 1 588 . 1 1 58 58 PHE HD2 H 1 7.024 0.04 . 3 . . . . 58 PHE HD2 . 15300 1 589 . 1 1 58 58 PHE HE1 H 1 6.839 0.04 . 3 . . . . 58 PHE HE1 . 15300 1 590 . 1 1 58 58 PHE HE2 H 1 6.839 0.04 . 3 . . . . 58 PHE HE2 . 15300 1 591 . 1 1 58 58 PHE HZ H 1 6.992 0.04 . 1 . . . . 58 PHE HZ . 15300 1 592 . 1 1 58 58 PHE C C 13 175.536 0.4 . 1 . . . . 58 PHE C . 15300 1 593 . 1 1 58 58 PHE CA C 13 58.167 0.4 . 1 . . . . 58 PHE CA . 15300 1 594 . 1 1 58 58 PHE CB C 13 43.293 0.4 . 1 . . . . 58 PHE CB . 15300 1 595 . 1 1 58 58 PHE N N 15 118.588 0.1 . 1 . . . . 58 PHE N . 15300 1 596 . 1 1 59 59 THR H H 1 8.469 0.04 . 1 . . . . 59 THR H . 15300 1 597 . 1 1 59 59 THR HA H 1 4.407 0.04 . 1 . . . . 59 THR HA . 15300 1 598 . 1 1 59 59 THR HB H 1 4.608 0.04 . 1 . . . . 59 THR HB . 15300 1 599 . 1 1 59 59 THR HG21 H 1 1.267 0.04 . 1 . . . . 59 THR HG21 . 15300 1 600 . 1 1 59 59 THR HG22 H 1 1.267 0.04 . 1 . . . . 59 THR HG22 . 15300 1 601 . 1 1 59 59 THR HG23 H 1 1.267 0.04 . 1 . . . . 59 THR HG23 . 15300 1 602 . 1 1 59 59 THR CA C 13 63.102 0.4 . 1 . . . . 59 THR CA . 15300 1 603 . 1 1 59 59 THR CB C 13 69.504 0.4 . 1 . . . . 59 THR CB . 15300 1 604 . 1 1 59 59 THR N N 15 114.537 0.1 . 1 . . . . 59 THR N . 15300 1 605 . 1 1 60 60 PRO HA H 1 4.466 0.04 . 1 . . . . 60 PRO HA . 15300 1 606 . 1 1 60 60 PRO HB2 H 1 2.190 0.04 . 2 . . . . 60 PRO HB2 . 15300 1 607 . 1 1 60 60 PRO HB3 H 1 2.097 0.04 . 2 . . . . 60 PRO HB3 . 15300 1 608 . 1 1 60 60 PRO HD2 H 1 3.873 0.04 . 2 . . . . 60 PRO HD2 . 15300 1 609 . 1 1 60 60 PRO HD3 H 1 3.834 0.04 . 2 . . . . 60 PRO HD3 . 15300 1 610 . 1 1 60 60 PRO HG2 H 1 2.459 0.04 . 1 . . . . 60 PRO HG2 . 15300 1 611 . 1 1 60 60 PRO HG3 H 1 2.459 0.04 . 1 . . . . 60 PRO HG3 . 15300 1 612 . 1 1 60 60 PRO C C 13 178.308 0.4 . 1 . . . . 60 PRO C . 15300 1 613 . 1 1 60 60 PRO CA C 13 68.017 0.4 . 1 . . . . 60 PRO CA . 15300 1 614 . 1 1 60 60 PRO CB C 13 33.977 0.4 . 1 . . . . 60 PRO CB . 15300 1 615 . 1 1 61 61 ASP H H 1 8.415 0.04 . 1 . . . . 61 ASP H . 15300 1 616 . 1 1 61 61 ASP HA H 1 4.596 0.04 . 1 . . . . 61 ASP HA . 15300 1 617 . 1 1 61 61 ASP HB2 H 1 2.779 0.04 . 2 . . . . 61 ASP HB2 . 15300 1 618 . 1 1 61 61 ASP HB3 H 1 2.692 0.04 . 2 . . . . 61 ASP HB3 . 15300 1 619 . 1 1 61 61 ASP C C 13 176.318 0.4 . 1 . . . . 61 ASP C . 15300 1 620 . 1 1 61 61 ASP CA C 13 56.931 0.4 . 1 . . . . 61 ASP CA . 15300 1 621 . 1 1 61 61 ASP CB C 13 41.759 0.4 . 1 . . . . 61 ASP CB . 15300 1 622 . 1 1 61 61 ASP N N 15 113.646 0.1 . 1 . . . . 61 ASP N . 15300 1 623 . 1 1 62 62 CYS H H 1 8.028 0.04 . 1 . . . . 62 CYS H . 15300 1 624 . 1 1 62 62 CYS HA H 1 4.151 0.04 . 1 . . . . 62 CYS HA . 15300 1 625 . 1 1 62 62 CYS HB2 H 1 2.598 0.04 . 2 . . . . 62 CYS HB2 . 15300 1 626 . 1 1 62 62 CYS HB3 H 1 2.245 0.04 . 2 . . . . 62 CYS HB3 . 15300 1 627 . 1 1 62 62 CYS C C 13 172.308 0.4 . 1 . . . . 62 CYS C . 15300 1 628 . 1 1 62 62 CYS CA C 13 64.043 0.4 . 1 . . . . 62 CYS CA . 15300 1 629 . 1 1 62 62 CYS CB C 13 29.842 0.4 . 1 . . . . 62 CYS CB . 15300 1 630 . 1 1 62 62 CYS N N 15 116.043 0.1 . 1 . . . . 62 CYS N . 15300 1 631 . 1 1 63 63 PHE H H 1 7.294 0.04 . 1 . . . . 63 PHE H . 15300 1 632 . 1 1 63 63 PHE HA H 1 5.026 0.04 . 1 . . . . 63 PHE HA . 15300 1 633 . 1 1 63 63 PHE HB2 H 1 2.832 0.04 . 2 . . . . 63 PHE HB2 . 15300 1 634 . 1 1 63 63 PHE HB3 H 1 2.776 0.04 . 2 . . . . 63 PHE HB3 . 15300 1 635 . 1 1 63 63 PHE HD1 H 1 6.908 0.04 . 3 . . . . 63 PHE HD1 . 15300 1 636 . 1 1 63 63 PHE HD2 H 1 6.908 0.04 . 3 . . . . 63 PHE HD2 . 15300 1 637 . 1 1 63 63 PHE HE1 H 1 6.772 0.04 . 3 . . . . 63 PHE HE1 . 15300 1 638 . 1 1 63 63 PHE HE2 H 1 6.772 0.04 . 3 . . . . 63 PHE HE2 . 15300 1 639 . 1 1 63 63 PHE HZ H 1 6.968 0.04 . 1 . . . . 63 PHE HZ . 15300 1 640 . 1 1 63 63 PHE CA C 13 59.094 0.4 . 1 . . . . 63 PHE CA . 15300 1 641 . 1 1 63 63 PHE CB C 13 43.465 0.4 . 1 . . . . 63 PHE CB . 15300 1 642 . 1 1 63 63 PHE N N 15 115.641 0.1 . 1 . . . . 63 PHE N . 15300 1 643 . 1 1 64 64 LYS H H 1 8.566 0.04 . 1 . . . . 64 LYS H . 15300 1 644 . 1 1 64 64 LYS HA H 1 4.138 0.04 . 1 . . . . 64 LYS HA . 15300 1 645 . 1 1 64 64 LYS HB2 H 1 1.613 0.04 . 1 . . . . 64 LYS HB2 . 15300 1 646 . 1 1 64 64 LYS HB3 H 1 1.613 0.04 . 1 . . . . 64 LYS HB3 . 15300 1 647 . 1 1 64 64 LYS HD2 H 1 1.510 0.04 . 1 . . . . 64 LYS HD2 . 15300 1 648 . 1 1 64 64 LYS HD3 H 1 1.510 0.04 . 1 . . . . 64 LYS HD3 . 15300 1 649 . 1 1 64 64 LYS HE2 H 1 3.031 0.04 . 1 . . . . 64 LYS HE2 . 15300 1 650 . 1 1 64 64 LYS HE3 H 1 3.031 0.04 . 1 . . . . 64 LYS HE3 . 15300 1 651 . 1 1 65 65 ARG H H 1 7.966 0.04 . 1 . . . . 65 ARG H . 15300 1 652 . 1 1 65 65 ARG HA H 1 4.148 0.04 . 1 . . . . 65 ARG HA . 15300 1 653 . 1 1 65 65 ARG HB2 H 1 1.803 0.04 . 2 . . . . 65 ARG HB2 . 15300 1 654 . 1 1 65 65 ARG HB3 H 1 1.693 0.04 . 2 . . . . 65 ARG HB3 . 15300 1 655 . 1 1 65 65 ARG HD2 H 1 3.173 0.04 . 1 . . . . 65 ARG HD2 . 15300 1 656 . 1 1 65 65 ARG HD3 H 1 3.173 0.04 . 1 . . . . 65 ARG HD3 . 15300 1 657 . 1 1 65 65 ARG HG2 H 1 1.622 0.04 . 1 . . . . 65 ARG HG2 . 15300 1 658 . 1 1 65 65 ARG HG3 H 1 1.622 0.04 . 1 . . . . 65 ARG HG3 . 15300 1 659 . 1 1 69 69 ASN H H 1 7.817 0.04 . 1 . . . . 69 ASN H . 15300 1 660 . 1 1 69 69 ASN HA H 1 4.448 0.04 . 1 . . . . 69 ASN HA . 15300 1 661 . 1 1 69 69 ASN HB2 H 1 2.927 0.04 . 2 . . . . 69 ASN HB2 . 15300 1 662 . 1 1 69 69 ASN HB3 H 1 2.902 0.04 . 2 . . . . 69 ASN HB3 . 15300 1 663 . 1 1 70 70 LYS H H 1 7.455 0.04 . 1 . . . . 70 LYS H . 15300 1 664 . 1 1 70 70 LYS HA H 1 4.347 0.04 . 1 . . . . 70 LYS HA . 15300 1 665 . 1 1 70 70 LYS HB2 H 1 1.492 0.04 . 2 . . . . 70 LYS HB2 . 15300 1 666 . 1 1 70 70 LYS HB3 H 1 1.423 0.04 . 2 . . . . 70 LYS HB3 . 15300 1 667 . 1 1 70 70 LYS HD2 H 1 1.293 0.04 . 1 . . . . 70 LYS HD2 . 15300 1 668 . 1 1 70 70 LYS HD3 H 1 1.293 0.04 . 1 . . . . 70 LYS HD3 . 15300 1 669 . 1 1 70 70 LYS C C 13 176.168 0.4 . 1 . . . . 70 LYS C . 15300 1 670 . 1 1 71 71 LEU H H 1 8.476 0.04 . 1 . . . . 71 LEU H . 15300 1 671 . 1 1 71 71 LEU HA H 1 4.357 0.04 . 1 . . . . 71 LEU HA . 15300 1 672 . 1 1 71 71 LEU HB2 H 1 2.059 0.04 . 2 . . . . 71 LEU HB2 . 15300 1 673 . 1 1 71 71 LEU HB3 H 1 1.980 0.04 . 2 . . . . 71 LEU HB3 . 15300 1 674 . 1 1 71 71 LEU HD11 H 1 0.805 0.04 . 1 . . . . 71 LEU HD11 . 15300 1 675 . 1 1 71 71 LEU HD12 H 1 0.805 0.04 . 1 . . . . 71 LEU HD12 . 15300 1 676 . 1 1 71 71 LEU HD13 H 1 0.805 0.04 . 1 . . . . 71 LEU HD13 . 15300 1 677 . 1 1 71 71 LEU HD21 H 1 0.805 0.04 . 1 . . . . 71 LEU HD21 . 15300 1 678 . 1 1 71 71 LEU HD22 H 1 0.805 0.04 . 1 . . . . 71 LEU HD22 . 15300 1 679 . 1 1 71 71 LEU HD23 H 1 0.805 0.04 . 1 . . . . 71 LEU HD23 . 15300 1 680 . 1 1 71 71 LEU HG H 1 2.287 0.04 . 1 . . . . 71 LEU HG . 15300 1 681 . 1 1 72 72 LEU H H 1 8.239 0.04 . 1 . . . . 72 LEU H . 15300 1 682 . 1 1 72 72 LEU HA H 1 4.355 0.04 . 1 . . . . 72 LEU HA . 15300 1 683 . 1 1 72 72 LEU HB2 H 1 1.622 0.04 . 2 . . . . 72 LEU HB2 . 15300 1 684 . 1 1 72 72 LEU HB3 H 1 1.566 0.04 . 2 . . . . 72 LEU HB3 . 15300 1 685 . 1 1 72 72 LEU HD11 H 1 0.827 0.04 . 2 . . . . 72 LEU HD11 . 15300 1 686 . 1 1 72 72 LEU HD12 H 1 0.827 0.04 . 2 . . . . 72 LEU HD12 . 15300 1 687 . 1 1 72 72 LEU HD13 H 1 0.827 0.04 . 2 . . . . 72 LEU HD13 . 15300 1 688 . 1 1 72 72 LEU HD21 H 1 0.817 0.04 . 2 . . . . 72 LEU HD21 . 15300 1 689 . 1 1 72 72 LEU HD22 H 1 0.817 0.04 . 2 . . . . 72 LEU HD22 . 15300 1 690 . 1 1 72 72 LEU HD23 H 1 0.817 0.04 . 2 . . . . 72 LEU HD23 . 15300 1 691 . 1 1 72 72 LEU HG H 1 1.434 0.04 . 1 . . . . 72 LEU HG . 15300 1 692 . 1 1 73 73 LYS H H 1 8.561 0.04 . 1 . . . . 73 LYS H . 15300 1 693 . 1 1 73 73 LYS HA H 1 3.964 0.04 . 1 . . . . 73 LYS HA . 15300 1 694 . 1 1 73 73 LYS HB2 H 1 1.618 0.04 . 2 . . . . 73 LYS HB2 . 15300 1 695 . 1 1 73 73 LYS HB3 H 1 1.488 0.04 . 2 . . . . 73 LYS HB3 . 15300 1 696 . 1 1 74 74 GLU H H 1 8.868 0.04 . 1 . . . . 74 GLU H . 15300 1 697 . 1 1 74 74 GLU HA H 1 4.017 0.04 . 1 . . . . 74 GLU HA . 15300 1 698 . 1 1 74 74 GLU HB2 H 1 1.985 0.04 . 1 . . . . 74 GLU HB2 . 15300 1 699 . 1 1 74 74 GLU HB3 H 1 1.985 0.04 . 1 . . . . 74 GLU HB3 . 15300 1 700 . 1 1 74 74 GLU HG2 H 1 2.327 0.04 . 1 . . . . 74 GLU HG2 . 15300 1 701 . 1 1 74 74 GLU HG3 H 1 2.327 0.04 . 1 . . . . 74 GLU HG3 . 15300 1 702 . 1 1 74 74 GLU C C 13 176.893 0.4 . 1 . . . . 74 GLU C . 15300 1 703 . 1 1 74 74 GLU CA C 13 61.692 0.4 . 1 . . . . 74 GLU CA . 15300 1 704 . 1 1 74 74 GLU CB C 13 35.773 0.4 . 1 . . . . 74 GLU CB . 15300 1 705 . 1 1 74 74 GLU N N 15 120.634 0.1 . 1 . . . . 74 GLU N . 15300 1 706 . 1 1 75 75 ASN H H 1 8.118 0.04 . 1 . . . . 75 ASN H . 15300 1 707 . 1 1 75 75 ASN HA H 1 4.935 0.04 . 1 . . . . 75 ASN HA . 15300 1 708 . 1 1 75 75 ASN HB2 H 1 2.955 0.04 . 2 . . . . 75 ASN HB2 . 15300 1 709 . 1 1 75 75 ASN HB3 H 1 2.869 0.04 . 2 . . . . 75 ASN HB3 . 15300 1 710 . 1 1 75 75 ASN HD21 H 1 7.546 0.04 . 1 . . . . 75 ASN HD21 . 15300 1 711 . 1 1 75 75 ASN HD22 H 1 6.893 0.04 . 1 . . . . 75 ASN HD22 . 15300 1 712 . 1 1 75 75 ASN C C 13 174.608 0.4 . 1 . . . . 75 ASN C . 15300 1 713 . 1 1 75 75 ASN CA C 13 54.312 0.4 . 1 . . . . 75 ASN CA . 15300 1 714 . 1 1 75 75 ASN CB C 13 40.029 0.4 . 1 . . . . 75 ASN CB . 15300 1 715 . 1 1 75 75 ASN N N 15 114.271 0.1 . 1 . . . . 75 ASN N . 15300 1 716 . 1 1 75 75 ASN ND2 N 15 112.974 0.1 . 1 . . . . 75 ASN ND2 . 15300 1 717 . 1 1 76 76 ALA H H 1 7.229 0.04 . 1 . . . . 76 ALA H . 15300 1 718 . 1 1 76 76 ALA HA H 1 4.286 0.04 . 1 . . . . 76 ALA HA . 15300 1 719 . 1 1 76 76 ALA HB1 H 1 1.356 0.04 . 1 . . . . 76 ALA HB1 . 15300 1 720 . 1 1 76 76 ALA HB2 H 1 1.356 0.04 . 1 . . . . 76 ALA HB2 . 15300 1 721 . 1 1 76 76 ALA HB3 H 1 1.356 0.04 . 1 . . . . 76 ALA HB3 . 15300 1 722 . 1 1 76 76 ALA C C 13 177.299 0.4 . 1 . . . . 76 ALA C . 15300 1 723 . 1 1 76 76 ALA CA C 13 55.958 0.4 . 1 . . . . 76 ALA CA . 15300 1 724 . 1 1 76 76 ALA CB C 13 23.223 0.4 . 1 . . . . 76 ALA CB . 15300 1 725 . 1 1 76 76 ALA N N 15 121.777 0.1 . 1 . . . . 76 ALA N . 15300 1 726 . 1 1 77 77 VAL H H 1 7.931 0.04 . 1 . . . . 77 VAL H . 15300 1 727 . 1 1 77 77 VAL HA H 1 4.309 0.04 . 1 . . . . 77 VAL HA . 15300 1 728 . 1 1 77 77 VAL HB H 1 1.880 0.04 . 1 . . . . 77 VAL HB . 15300 1 729 . 1 1 77 77 VAL HG11 H 1 1.081 0.04 . 2 . . . . 77 VAL HG11 . 15300 1 730 . 1 1 77 77 VAL HG12 H 1 1.081 0.04 . 2 . . . . 77 VAL HG12 . 15300 1 731 . 1 1 77 77 VAL HG13 H 1 1.081 0.04 . 2 . . . . 77 VAL HG13 . 15300 1 732 . 1 1 77 77 VAL HG21 H 1 0.943 0.04 . 2 . . . . 77 VAL HG21 . 15300 1 733 . 1 1 77 77 VAL HG22 H 1 0.943 0.04 . 2 . . . . 77 VAL HG22 . 15300 1 734 . 1 1 77 77 VAL HG23 H 1 0.943 0.04 . 2 . . . . 77 VAL HG23 . 15300 1 735 . 1 1 77 77 VAL N N 15 119.111 0.1 . 1 . . . . 77 VAL N . 15300 1 736 . 1 1 78 78 PRO HA H 1 4.374 0.04 . 1 . . . . 78 PRO HA . 15300 1 737 . 1 1 78 78 PRO HB2 H 1 2.235 0.04 . 1 . . . . 78 PRO HB2 . 15300 1 738 . 1 1 78 78 PRO HB3 H 1 2.235 0.04 . 1 . . . . 78 PRO HB3 . 15300 1 739 . 1 1 78 78 PRO HD2 H 1 3.762 0.04 . 1 . . . . 78 PRO HD2 . 15300 1 740 . 1 1 78 78 PRO HD3 H 1 3.762 0.04 . 1 . . . . 78 PRO HD3 . 15300 1 741 . 1 1 78 78 PRO HG2 H 1 1.933 0.04 . 1 . . . . 78 PRO HG2 . 15300 1 742 . 1 1 78 78 PRO HG3 H 1 1.933 0.04 . 1 . . . . 78 PRO HG3 . 15300 1 743 . 1 1 79 79 THR H H 1 8.231 0.04 . 1 . . . . 79 THR H . 15300 1 744 . 1 1 79 79 THR HA H 1 4.208 0.04 . 1 . . . . 79 THR HA . 15300 1 745 . 1 1 79 79 THR HB H 1 4.083 0.04 . 1 . . . . 79 THR HB . 15300 1 746 . 1 1 79 79 THR HG21 H 1 1.121 0.04 . 1 . . . . 79 THR HG21 . 15300 1 747 . 1 1 79 79 THR HG22 H 1 1.121 0.04 . 1 . . . . 79 THR HG22 . 15300 1 748 . 1 1 79 79 THR HG23 H 1 1.121 0.04 . 1 . . . . 79 THR HG23 . 15300 1 stop_ save_