data_34330 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34330 _Entry.Title ; Solution structure of TRIM28 RING domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-11-23 _Entry.Accession_date 2018-11-23 _Entry.Last_release_date 2018-11-26 _Entry.Original_release_date 2018-11-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34330 stop_ 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.ORCID _Entry_author.Entry_ID 1 R. Stevens R. V. . . 34330 2 D. Esposito D. . . . 34330 3 K. Rittinger K. . . . 34330 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'E3 ligase' . 34330 'SIGNALING PROTEIN' . 34330 TRIM . 34330 enzyme . 34330 ubiquitin . 34330 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34330 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 369 34330 '15N chemical shifts' 90 34330 '1H chemical shifts' 579 34330 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 . . 2019-04-24 . original BMRB . 34330 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6I9H . 34330 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34330 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of TRIM28 RING domain ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 R. Stevens R. V. . . 34330 1 2 D. Esposito D. . . . 34330 1 3 K. Rittinger K. . . . 34330 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34330 _Assembly.ID 1 _Assembly.Name 'Transcription intermediary factor 1-beta (E.C.2.3.2.27)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34330 1 2 'entity_2, 1' 2 $entity_ZN B A no . . . . . . 34330 1 3 'entity_2, 2' 2 $entity_ZN C A no . . . . . . 34330 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_asym_ID_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_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordinate single . 1 . 1 CYS 14 14 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34330 1 2 coordinate single . 1 . 1 CYS 17 17 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34330 1 3 coordinate single . 1 . 1 CYS 37 37 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34330 1 4 coordinate single . 1 . 1 CYS 40 40 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34330 1 5 coordinate single . 1 . 1 CYS 32 32 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34330 1 6 coordinate single . 1 . 1 HIS 34 34 ND1 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34330 1 7 coordinate single . 1 . 1 CYS 66 66 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34330 1 8 coordinate single . 1 . 1 CYS 69 69 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . . . 34330 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34330 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GPGGAEALELLEHCGVCRER LRPEREPRLLPCLHSACSAC LGPAAPAAANSSGDGGAAGD GTVVDCPVCKQQCFSKDIVE NYFMRDSGSKAATD ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'other bound and free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 2.3.2.27 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9674.865 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'E3 SUMO-protein ligase TRIM28' na 34330 1 KAP-1 na 34330 1 'KRAB-associated protein 1' na 34330 1 'KRAB-interacting protein 1' na 34330 1 KRIP-1 na 34330 1 'Nuclear corepressor KAP-1' na 34330 1 'RING finger protein 96' na 34330 1 'RING-type E3 ubiquitin transferase TIF1-beta' na 34330 1 TIF1-beta na 34330 1 'Tripartite motif-containing protein 28' na 34330 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 52 GLY . 34330 1 2 53 PRO . 34330 1 3 54 GLY . 34330 1 4 55 GLY . 34330 1 5 56 ALA . 34330 1 6 57 GLU . 34330 1 7 58 ALA . 34330 1 8 59 LEU . 34330 1 9 60 GLU . 34330 1 10 61 LEU . 34330 1 11 62 LEU . 34330 1 12 63 GLU . 34330 1 13 64 HIS . 34330 1 14 65 CYS . 34330 1 15 66 GLY . 34330 1 16 67 VAL . 34330 1 17 68 CYS . 34330 1 18 69 ARG . 34330 1 19 70 GLU . 34330 1 20 71 ARG . 34330 1 21 72 LEU . 34330 1 22 73 ARG . 34330 1 23 74 PRO . 34330 1 24 75 GLU . 34330 1 25 76 ARG . 34330 1 26 77 GLU . 34330 1 27 78 PRO . 34330 1 28 79 ARG . 34330 1 29 80 LEU . 34330 1 30 81 LEU . 34330 1 31 82 PRO . 34330 1 32 83 CYS . 34330 1 33 84 LEU . 34330 1 34 85 HIS . 34330 1 35 86 SER . 34330 1 36 87 ALA . 34330 1 37 88 CYS . 34330 1 38 89 SER . 34330 1 39 90 ALA . 34330 1 40 91 CYS . 34330 1 41 92 LEU . 34330 1 42 93 GLY . 34330 1 43 94 PRO . 34330 1 44 95 ALA . 34330 1 45 96 ALA . 34330 1 46 97 PRO . 34330 1 47 98 ALA . 34330 1 48 99 ALA . 34330 1 49 100 ALA . 34330 1 50 101 ASN . 34330 1 51 102 SER . 34330 1 52 103 SER . 34330 1 53 104 GLY . 34330 1 54 105 ASP . 34330 1 55 106 GLY . 34330 1 56 107 GLY . 34330 1 57 108 ALA . 34330 1 58 109 ALA . 34330 1 59 110 GLY . 34330 1 60 111 ASP . 34330 1 61 112 GLY . 34330 1 62 113 THR . 34330 1 63 114 VAL . 34330 1 64 115 VAL . 34330 1 65 116 ASP . 34330 1 66 117 CYS . 34330 1 67 118 PRO . 34330 1 68 119 VAL . 34330 1 69 120 CYS . 34330 1 70 121 LYS . 34330 1 71 122 GLN . 34330 1 72 123 GLN . 34330 1 73 124 CYS . 34330 1 74 125 PHE . 34330 1 75 126 SER . 34330 1 76 127 LYS . 34330 1 77 128 ASP . 34330 1 78 129 ILE . 34330 1 79 130 VAL . 34330 1 80 131 GLU . 34330 1 81 132 ASN . 34330 1 82 133 TYR . 34330 1 83 134 PHE . 34330 1 84 135 MET . 34330 1 85 136 ARG . 34330 1 86 137 ASP . 34330 1 87 138 SER . 34330 1 88 139 GLY . 34330 1 89 140 SER . 34330 1 90 141 LYS . 34330 1 91 142 ALA . 34330 1 92 143 ALA . 34330 1 93 144 THR . 34330 1 94 145 ASP . 34330 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34330 1 . PRO 2 2 34330 1 . GLY 3 3 34330 1 . GLY 4 4 34330 1 . ALA 5 5 34330 1 . GLU 6 6 34330 1 . ALA 7 7 34330 1 . LEU 8 8 34330 1 . GLU 9 9 34330 1 . LEU 10 10 34330 1 . LEU 11 11 34330 1 . GLU 12 12 34330 1 . HIS 13 13 34330 1 . CYS 14 14 34330 1 . GLY 15 15 34330 1 . VAL 16 16 34330 1 . CYS 17 17 34330 1 . ARG 18 18 34330 1 . GLU 19 19 34330 1 . ARG 20 20 34330 1 . LEU 21 21 34330 1 . ARG 22 22 34330 1 . PRO 23 23 34330 1 . GLU 24 24 34330 1 . ARG 25 25 34330 1 . GLU 26 26 34330 1 . PRO 27 27 34330 1 . ARG 28 28 34330 1 . LEU 29 29 34330 1 . LEU 30 30 34330 1 . PRO 31 31 34330 1 . CYS 32 32 34330 1 . LEU 33 33 34330 1 . HIS 34 34 34330 1 . SER 35 35 34330 1 . ALA 36 36 34330 1 . CYS 37 37 34330 1 . SER 38 38 34330 1 . ALA 39 39 34330 1 . CYS 40 40 34330 1 . LEU 41 41 34330 1 . GLY 42 42 34330 1 . PRO 43 43 34330 1 . ALA 44 44 34330 1 . ALA 45 45 34330 1 . PRO 46 46 34330 1 . ALA 47 47 34330 1 . ALA 48 48 34330 1 . ALA 49 49 34330 1 . ASN 50 50 34330 1 . SER 51 51 34330 1 . SER 52 52 34330 1 . GLY 53 53 34330 1 . ASP 54 54 34330 1 . GLY 55 55 34330 1 . GLY 56 56 34330 1 . ALA 57 57 34330 1 . ALA 58 58 34330 1 . GLY 59 59 34330 1 . ASP 60 60 34330 1 . GLY 61 61 34330 1 . THR 62 62 34330 1 . VAL 63 63 34330 1 . VAL 64 64 34330 1 . ASP 65 65 34330 1 . CYS 66 66 34330 1 . PRO 67 67 34330 1 . VAL 68 68 34330 1 . CYS 69 69 34330 1 . LYS 70 70 34330 1 . GLN 71 71 34330 1 . GLN 72 72 34330 1 . CYS 73 73 34330 1 . PHE 74 74 34330 1 . SER 75 75 34330 1 . LYS 76 76 34330 1 . ASP 77 77 34330 1 . ILE 78 78 34330 1 . VAL 79 79 34330 1 . GLU 80 80 34330 1 . ASN 81 81 34330 1 . TYR 82 82 34330 1 . PHE 83 83 34330 1 . MET 84 84 34330 1 . ARG 85 85 34330 1 . ASP 86 86 34330 1 . SER 87 87 34330 1 . GLY 88 88 34330 1 . SER 89 89 34330 1 . LYS 90 90 34330 1 . ALA 91 91 34330 1 . ALA 92 92 34330 1 . THR 93 93 34330 1 . ASP 94 94 34330 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 34330 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_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 1 _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 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 34330 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 34330 2 ZN 'Three letter code' 34330 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 34330 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 34330 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'TRIM28, KAP1, RNF96, TIF1B' . 34330 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 34330 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34330 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 34330 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 34330 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 34330 ZN [Zn++] SMILES CACTVS 3.341 34330 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 34330 ZN [Zn+2] SMILES ACDLabs 10.04 34330 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 34330 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34330 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 34330 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34330 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 34330 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34330 _Sample.ID 1 _Sample.Type solid _Sample.Sub_type . _Sample.Details '1 mM [U-15N] TRIM28 RING, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'TRIM28 RING' [U-15N] . . 1 $entity_1 . . 1 . . mM . . . . 34330 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 34330 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 34330 1 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 34330 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34330 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-13C; U-15N] TRIM28 RING, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'TRIM28 RING' '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 34330 2 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 34330 2 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 34330 2 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 34330 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34330 _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' 100 . mM 34330 1 pH 6.2 . pH 34330 1 pressure 1 . atm 34330 1 temperature 298 . K 34330 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34330 _Sample_condition_list.ID 2 _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' 100 . mM 34330 2 pH 6.2 . pH 34330 2 pressure 1 . atm 34330 2 temperature 298 . K 34330 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34330 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34330 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34330 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34330 _Software.ID 2 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34330 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34330 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34330 _Software.ID 3 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 34330 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34330 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34330 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34330 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34330 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model A _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 34330 _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 NMR_spectrometer_1 Bruker AvanceIII . 700 . . . 34330 1 2 NMR_spectrometer_2 Bruker AvanceIII . 800 . . . 34330 1 3 NMR_spectrometer_3 Bruker A . 950 . . . 34330 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 34330 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34330 1 2 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34330 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34330 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34330 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34330 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34330 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34330 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34330 1 9 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34330 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34330 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34330 1 12 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34330 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34330 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34330 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34330 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34330 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34330 _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_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 34330 1 2 '3D HN(CO)CA' . . . 34330 1 3 '3D CBCA(CO)NH' . . . 34330 1 4 '3D HNCACB' . . . 34330 1 5 '3D HNCO' . . . 34330 1 6 '3D 1H-13C NOESY' . . . 34330 1 7 '3D 1H-15N NOESY' . . . 34330 1 8 '3D HCCH-TOCSY' . . . 34330 1 9 '3D HN(CA)CO' . . . 34330 1 10 '3D 1H-13C NOESY aromatic' . . . 34330 1 11 '2D 1H-15N HSQC' . . . 34330 1 12 '2D 1H-13C HSQC' . . . 34330 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.Ambiguity_set_ID _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 PRO HA H 1 4.485 0.002 . 1 . . . . A 53 PRO HA . 34330 1 2 . 1 1 2 2 PRO HB2 H 1 2.311 0.002 . 2 . . . . A 53 PRO HB2 . 34330 1 3 . 1 1 2 2 PRO HB3 H 1 1.955 0.019 . 2 . . . . A 53 PRO HB3 . 34330 1 4 . 1 1 2 2 PRO HG2 H 1 2.151 0.003 . 2 . . . . A 53 PRO HG2 . 34330 1 5 . 1 1 2 2 PRO HG3 H 1 1.857 0.002 . 2 . . . . A 53 PRO HG3 . 34330 1 6 . 1 1 2 2 PRO HD2 H 1 3.576 0.007 . 2 . . . . A 53 PRO HD2 . 34330 1 7 . 1 1 2 2 PRO HD3 H 1 3.598 0.009 . 2 . . . . A 53 PRO HD3 . 34330 1 8 . 1 1 2 2 PRO C C 13 177.453 0.000 . 1 . . . . A 53 PRO C . 34330 1 9 . 1 1 2 2 PRO CA C 13 63.430 0.056 . 1 . . . . A 53 PRO CA . 34330 1 10 . 1 1 2 2 PRO CB C 13 32.262 0.000 . 1 . . . . A 53 PRO CB . 34330 1 11 . 1 1 2 2 PRO CG C 13 27.789 0.054 . 1 . . . . A 53 PRO CG . 34330 1 12 . 1 1 2 2 PRO CD C 13 49.706 0.000 . 1 . . . . A 53 PRO CD . 34330 1 13 . 1 1 3 3 GLY H H 1 8.675 0.002 . 1 . . . . A 54 GLY H . 34330 1 14 . 1 1 3 3 GLY HA2 H 1 3.991 0.003 . 1 . . . . A 54 GLY HA2 . 34330 1 15 . 1 1 3 3 GLY HA3 H 1 3.991 0.003 . 1 . . . . A 54 GLY HA3 . 34330 1 16 . 1 1 3 3 GLY C C 13 174.622 0.002 . 1 . . . . A 54 GLY C . 34330 1 17 . 1 1 3 3 GLY CA C 13 45.289 0.074 . 1 . . . . A 54 GLY CA . 34330 1 18 . 1 1 3 3 GLY N N 15 110.177 0.025 . 1 . . . . A 54 GLY N . 34330 1 19 . 1 1 4 4 GLY H H 1 8.307 0.002 . 1 . . . . A 55 GLY H . 34330 1 20 . 1 1 4 4 GLY HA2 H 1 3.966 0.011 . 1 . . . . A 55 GLY HA2 . 34330 1 21 . 1 1 4 4 GLY HA3 H 1 3.966 0.011 . 1 . . . . A 55 GLY HA3 . 34330 1 22 . 1 1 4 4 GLY C C 13 174.327 0.005 . 1 . . . . A 55 GLY C . 34330 1 23 . 1 1 4 4 GLY CA C 13 45.334 0.000 . 1 . . . . A 55 GLY CA . 34330 1 24 . 1 1 4 4 GLY N N 15 108.911 0.031 . 1 . . . . A 55 GLY N . 34330 1 25 . 1 1 5 5 ALA H H 1 8.321 0.007 . 1 . . . . A 56 ALA H . 34330 1 26 . 1 1 5 5 ALA HA H 1 4.768 0.004 . 1 . . . . A 56 ALA HA . 34330 1 27 . 1 1 5 5 ALA HB1 H 1 1.386 0.008 . 1 . . . . A 56 ALA HB1 . 34330 1 28 . 1 1 5 5 ALA HB2 H 1 1.386 0.008 . 1 . . . . A 56 ALA HB2 . 34330 1 29 . 1 1 5 5 ALA HB3 H 1 1.386 0.008 . 1 . . . . A 56 ALA HB3 . 34330 1 30 . 1 1 5 5 ALA C C 13 178.321 0.001 . 1 . . . . A 56 ALA C . 34330 1 31 . 1 1 5 5 ALA CA C 13 53.090 0.014 . 1 . . . . A 56 ALA CA . 34330 1 32 . 1 1 5 5 ALA CB C 13 19.084 0.025 . 1 . . . . A 56 ALA CB . 34330 1 33 . 1 1 5 5 ALA N N 15 124.164 0.067 . 1 . . . . A 56 ALA N . 34330 1 34 . 1 1 6 6 GLU H H 1 8.541 0.003 . 1 . . . . A 57 GLU H . 34330 1 35 . 1 1 6 6 GLU HA H 1 4.202 0.004 . 1 . . . . A 57 GLU HA . 34330 1 36 . 1 1 6 6 GLU HB2 H 1 1.969 0.006 . 2 . . . . A 57 GLU HB2 . 34330 1 37 . 1 1 6 6 GLU HB3 H 1 2.039 0.004 . 2 . . . . A 57 GLU HB3 . 34330 1 38 . 1 1 6 6 GLU HG2 H 1 2.288 0.012 . 1 . . . . A 57 GLU HG2 . 34330 1 39 . 1 1 6 6 GLU HG3 H 1 2.288 0.012 . 1 . . . . A 57 GLU HG3 . 34330 1 40 . 1 1 6 6 GLU C C 13 176.750 0.002 . 1 . . . . A 57 GLU C . 34330 1 41 . 1 1 6 6 GLU CA C 13 57.338 0.010 . 1 . . . . A 57 GLU CA . 34330 1 42 . 1 1 6 6 GLU CB C 13 29.789 0.054 . 1 . . . . A 57 GLU CB . 34330 1 43 . 1 1 6 6 GLU CG C 13 36.084 0.000 . 1 . . . . A 57 GLU CG . 34330 1 44 . 1 1 6 6 GLU N N 15 119.864 0.023 . 1 . . . . A 57 GLU N . 34330 1 45 . 1 1 7 7 ALA H H 1 8.134 0.003 . 1 . . . . A 58 ALA H . 34330 1 46 . 1 1 7 7 ALA HA H 1 4.273 0.009 . 1 . . . . A 58 ALA HA . 34330 1 47 . 1 1 7 7 ALA HB1 H 1 1.388 0.004 . 1 . . . . A 58 ALA HB1 . 34330 1 48 . 1 1 7 7 ALA HB2 H 1 1.388 0.004 . 1 . . . . A 58 ALA HB2 . 34330 1 49 . 1 1 7 7 ALA HB3 H 1 1.388 0.004 . 1 . . . . A 58 ALA HB3 . 34330 1 50 . 1 1 7 7 ALA C C 13 178.186 0.003 . 1 . . . . A 58 ALA C . 34330 1 51 . 1 1 7 7 ALA CA C 13 52.890 0.114 . 1 . . . . A 58 ALA CA . 34330 1 52 . 1 1 7 7 ALA CB C 13 18.821 0.039 . 1 . . . . A 58 ALA CB . 34330 1 53 . 1 1 7 7 ALA N N 15 123.937 0.054 . 1 . . . . A 58 ALA N . 34330 1 54 . 1 1 8 8 LEU H H 1 8.022 0.004 . 1 . . . . A 59 LEU H . 34330 1 55 . 1 1 8 8 LEU HA H 1 4.219 0.014 . 1 . . . . A 59 LEU HA . 34330 1 56 . 1 1 8 8 LEU HB2 H 1 1.668 0.008 . 2 . . . . A 59 LEU HB2 . 34330 1 57 . 1 1 8 8 LEU HB3 H 1 1.556 0.010 . 2 . . . . A 59 LEU HB3 . 34330 1 58 . 1 1 8 8 LEU HG H 1 0.890 0.004 . 1 . . . . A 59 LEU HG . 34330 1 59 . 1 1 8 8 LEU HD11 H 1 0.841 0.000 . 2 . . . . A 59 LEU HD11 . 34330 1 60 . 1 1 8 8 LEU HD12 H 1 0.841 0.000 . 2 . . . . A 59 LEU HD12 . 34330 1 61 . 1 1 8 8 LEU HD13 H 1 0.841 0.000 . 2 . . . . A 59 LEU HD13 . 34330 1 62 . 1 1 8 8 LEU HD21 H 1 0.830 0.000 . 2 . . . . A 59 LEU HD21 . 34330 1 63 . 1 1 8 8 LEU HD22 H 1 0.830 0.000 . 2 . . . . A 59 LEU HD22 . 34330 1 64 . 1 1 8 8 LEU HD23 H 1 0.830 0.000 . 2 . . . . A 59 LEU HD23 . 34330 1 65 . 1 1 8 8 LEU C C 13 177.899 0.001 . 1 . . . . A 59 LEU C . 34330 1 66 . 1 1 8 8 LEU CA C 13 55.909 0.044 . 1 . . . . A 59 LEU CA . 34330 1 67 . 1 1 8 8 LEU CB C 13 42.189 0.030 . 1 . . . . A 59 LEU CB . 34330 1 68 . 1 1 8 8 LEU CG C 13 25.267 0.041 . 1 . . . . A 59 LEU CG . 34330 1 69 . 1 1 8 8 LEU CD1 C 13 23.348 0.083 . 2 . . . . A 59 LEU CD1 . 34330 1 70 . 1 1 8 8 LEU CD2 C 13 25.328 0.000 . 2 . . . . A 59 LEU CD2 . 34330 1 71 . 1 1 8 8 LEU N N 15 120.480 0.036 . 1 . . . . A 59 LEU N . 34330 1 72 . 1 1 9 9 GLU H H 1 8.264 0.003 . 1 . . . . A 60 GLU H . 34330 1 73 . 1 1 9 9 GLU HA H 1 4.218 0.011 . 1 . . . . A 60 GLU HA . 34330 1 74 . 1 1 9 9 GLU HB2 H 1 2.035 0.013 . 2 . . . . A 60 GLU HB2 . 34330 1 75 . 1 1 9 9 GLU HB3 H 1 1.979 0.011 . 2 . . . . A 60 GLU HB3 . 34330 1 76 . 1 1 9 9 GLU HG2 H 1 2.280 0.008 . 2 . . . . A 60 GLU HG2 . 34330 1 77 . 1 1 9 9 GLU HG3 H 1 2.235 0.014 . 2 . . . . A 60 GLU HG3 . 34330 1 78 . 1 1 9 9 GLU C C 13 177.095 0.003 . 1 . . . . A 60 GLU C . 34330 1 79 . 1 1 9 9 GLU CA C 13 57.341 0.041 . 1 . . . . A 60 GLU CA . 34330 1 80 . 1 1 9 9 GLU CB C 13 29.863 0.067 . 1 . . . . A 60 GLU CB . 34330 1 81 . 1 1 9 9 GLU CG C 13 36.362 0.026 . 1 . . . . A 60 GLU CG . 34330 1 82 . 1 1 9 9 GLU N N 15 120.560 0.046 . 1 . . . . A 60 GLU N . 34330 1 83 . 1 1 10 10 LEU H H 1 8.067 0.005 . 1 . . . . A 61 LEU H . 34330 1 84 . 1 1 10 10 LEU HA H 1 4.352 0.004 . 1 . . . . A 61 LEU HA . 34330 1 85 . 1 1 10 10 LEU HB2 H 1 1.637 0.009 . 2 . . . . A 61 LEU HB2 . 34330 1 86 . 1 1 10 10 LEU HB3 H 1 1.739 0.003 . 2 . . . . A 61 LEU HB3 . 34330 1 87 . 1 1 10 10 LEU HG H 1 0.887 0.003 . 1 . . . . A 61 LEU HG . 34330 1 88 . 1 1 10 10 LEU HD11 H 1 0.840 0.012 . 2 . . . . A 61 LEU HD11 . 34330 1 89 . 1 1 10 10 LEU HD12 H 1 0.840 0.012 . 2 . . . . A 61 LEU HD12 . 34330 1 90 . 1 1 10 10 LEU HD13 H 1 0.840 0.012 . 2 . . . . A 61 LEU HD13 . 34330 1 91 . 1 1 10 10 LEU HD21 H 1 0.830 0.000 . 2 . . . . A 61 LEU HD21 . 34330 1 92 . 1 1 10 10 LEU HD22 H 1 0.830 0.000 . 2 . . . . A 61 LEU HD22 . 34330 1 93 . 1 1 10 10 LEU HD23 H 1 0.830 0.000 . 2 . . . . A 61 LEU HD23 . 34330 1 94 . 1 1 10 10 LEU C C 13 177.469 0.002 . 1 . . . . A 61 LEU C . 34330 1 95 . 1 1 10 10 LEU CA C 13 55.628 0.073 . 1 . . . . A 61 LEU CA . 34330 1 96 . 1 1 10 10 LEU CB C 13 42.235 0.051 . 1 . . . . A 61 LEU CB . 34330 1 97 . 1 1 10 10 LEU CG C 13 25.054 0.000 . 1 . . . . A 61 LEU CG . 34330 1 98 . 1 1 10 10 LEU CD1 C 13 23.213 0.033 . 2 . . . . A 61 LEU CD1 . 34330 1 99 . 1 1 10 10 LEU CD2 C 13 23.768 0.000 . 2 . . . . A 61 LEU CD2 . 34330 1 100 . 1 1 10 10 LEU N N 15 121.643 0.048 . 1 . . . . A 61 LEU N . 34330 1 101 . 1 1 11 11 LEU H H 1 8.018 0.004 . 1 . . . . A 62 LEU H . 34330 1 102 . 1 1 11 11 LEU HA H 1 4.383 0.009 . 1 . . . . A 62 LEU HA . 34330 1 103 . 1 1 11 11 LEU HB2 H 1 1.747 0.001 . 2 . . . . A 62 LEU HB2 . 34330 1 104 . 1 1 11 11 LEU HB3 H 1 1.550 0.006 . 2 . . . . A 62 LEU HB3 . 34330 1 105 . 1 1 11 11 LEU HG H 1 1.568 0.000 . 1 . . . . A 62 LEU HG . 34330 1 106 . 1 1 11 11 LEU HD11 H 1 0.882 0.009 . 2 . . . . A 62 LEU HD11 . 34330 1 107 . 1 1 11 11 LEU HD12 H 1 0.882 0.009 . 2 . . . . A 62 LEU HD12 . 34330 1 108 . 1 1 11 11 LEU HD13 H 1 0.882 0.009 . 2 . . . . A 62 LEU HD13 . 34330 1 109 . 1 1 11 11 LEU HD21 H 1 0.849 0.007 . 2 . . . . A 62 LEU HD21 . 34330 1 110 . 1 1 11 11 LEU HD22 H 1 0.849 0.007 . 2 . . . . A 62 LEU HD22 . 34330 1 111 . 1 1 11 11 LEU HD23 H 1 0.849 0.007 . 2 . . . . A 62 LEU HD23 . 34330 1 112 . 1 1 11 11 LEU C C 13 177.414 0.007 . 1 . . . . A 62 LEU C . 34330 1 113 . 1 1 11 11 LEU CA C 13 55.504 0.046 . 1 . . . . A 62 LEU CA . 34330 1 114 . 1 1 11 11 LEU CB C 13 42.483 0.060 . 1 . . . . A 62 LEU CB . 34330 1 115 . 1 1 11 11 LEU CG C 13 28.474 0.000 . 1 . . . . A 62 LEU CG . 34330 1 116 . 1 1 11 11 LEU CD1 C 13 25.282 0.000 . 2 . . . . A 62 LEU CD1 . 34330 1 117 . 1 1 11 11 LEU CD2 C 13 23.380 0.035 . 2 . . . . A 62 LEU CD2 . 34330 1 118 . 1 1 11 11 LEU N N 15 120.835 0.038 . 1 . . . . A 62 LEU N . 34330 1 119 . 1 1 12 12 GLU H H 1 8.253 0.005 . 1 . . . . A 63 GLU H . 34330 1 120 . 1 1 12 12 GLU HA H 1 4.373 0.013 . 1 . . . . A 63 GLU HA . 34330 1 121 . 1 1 12 12 GLU HB2 H 1 1.904 0.003 . 2 . . . . A 63 GLU HB2 . 34330 1 122 . 1 1 12 12 GLU HB3 H 1 2.049 0.002 . 2 . . . . A 63 GLU HB3 . 34330 1 123 . 1 1 12 12 GLU HG2 H 1 2.301 0.013 . 2 . . . . A 63 GLU HG2 . 34330 1 124 . 1 1 12 12 GLU HG3 H 1 2.213 0.006 . 2 . . . . A 63 GLU HG3 . 34330 1 125 . 1 1 12 12 GLU C C 13 175.256 0.004 . 1 . . . . A 63 GLU C . 34330 1 126 . 1 1 12 12 GLU CA C 13 56.278 0.045 . 1 . . . . A 63 GLU CA . 34330 1 127 . 1 1 12 12 GLU CB C 13 30.996 0.013 . 1 . . . . A 63 GLU CB . 34330 1 128 . 1 1 12 12 GLU CG C 13 36.476 0.061 . 1 . . . . A 63 GLU CG . 34330 1 129 . 1 1 12 12 GLU N N 15 118.455 0.061 . 1 . . . . A 63 GLU N . 34330 1 130 . 1 1 13 13 HIS H H 1 8.008 0.007 . 1 . . . . A 64 HIS H . 34330 1 131 . 1 1 13 13 HIS HA H 1 4.993 0.002 . 1 . . . . A 64 HIS HA . 34330 1 132 . 1 1 13 13 HIS HB2 H 1 2.828 0.005 . 2 . . . . A 64 HIS HB2 . 34330 1 133 . 1 1 13 13 HIS HB3 H 1 2.641 0.005 . 2 . . . . A 64 HIS HB3 . 34330 1 134 . 1 1 13 13 HIS HD2 H 1 7.147 0.003 . 1 . . . . A 64 HIS HD2 . 34330 1 135 . 1 1 13 13 HIS HE1 H 1 8.071 0.004 . 1 . . . . A 64 HIS HE1 . 34330 1 136 . 1 1 13 13 HIS C C 13 173.257 0.005 . 1 . . . . A 64 HIS C . 34330 1 137 . 1 1 13 13 HIS CA C 13 55.002 0.123 . 1 . . . . A 64 HIS CA . 34330 1 138 . 1 1 13 13 HIS CB C 13 31.995 0.072 . 1 . . . . A 64 HIS CB . 34330 1 139 . 1 1 13 13 HIS CD2 C 13 119.953 0.000 . 1 . . . . A 64 HIS CD2 . 34330 1 140 . 1 1 13 13 HIS CE1 C 13 138.364 0.000 . 1 . . . . A 64 HIS CE1 . 34330 1 141 . 1 1 13 13 HIS N N 15 117.075 0.030 . 1 . . . . A 64 HIS N . 34330 1 142 . 1 1 14 14 CYS H H 1 8.828 0.004 . 1 . . . . A 65 CYS H . 34330 1 143 . 1 1 14 14 CYS HA H 1 4.116 0.005 . 1 . . . . A 65 CYS HA . 34330 1 144 . 1 1 14 14 CYS HB2 H 1 3.246 0.008 . 2 . . . . A 65 CYS HB2 . 34330 1 145 . 1 1 14 14 CYS HB3 H 1 3.137 0.005 . 2 . . . . A 65 CYS HB3 . 34330 1 146 . 1 1 14 14 CYS C C 13 178.563 0.000 . 1 . . . . A 65 CYS C . 34330 1 147 . 1 1 14 14 CYS CA C 13 59.749 0.107 . 1 . . . . A 65 CYS CA . 34330 1 148 . 1 1 14 14 CYS CB C 13 31.639 0.137 . 1 . . . . A 65 CYS CB . 34330 1 149 . 1 1 14 14 CYS N N 15 123.591 0.019 . 1 . . . . A 65 CYS N . 34330 1 150 . 1 1 15 15 GLY H H 1 9.243 0.004 . 1 . . . . A 66 GLY H . 34330 1 151 . 1 1 15 15 GLY HA2 H 1 4.056 0.010 . 2 . . . . A 66 GLY HA2 . 34330 1 152 . 1 1 15 15 GLY HA3 H 1 3.732 0.006 . 2 . . . . A 66 GLY HA3 . 34330 1 153 . 1 1 15 15 GLY C C 13 172.621 0.000 . 1 . . . . A 66 GLY C . 34330 1 154 . 1 1 15 15 GLY CA C 13 47.028 0.055 . 1 . . . . A 66 GLY CA . 34330 1 155 . 1 1 15 15 GLY N N 15 116.917 0.033 . 1 . . . . A 66 GLY N . 34330 1 156 . 1 1 16 16 VAL H H 1 9.684 0.004 . 1 . . . . A 67 VAL H . 34330 1 157 . 1 1 16 16 VAL HA H 1 4.045 0.005 . 1 . . . . A 67 VAL HA . 34330 1 158 . 1 1 16 16 VAL HB H 1 2.307 0.006 . 1 . . . . A 67 VAL HB . 34330 1 159 . 1 1 16 16 VAL HG11 H 1 1.010 0.009 . 2 . . . . A 67 VAL HG11 . 34330 1 160 . 1 1 16 16 VAL HG12 H 1 1.010 0.009 . 2 . . . . A 67 VAL HG12 . 34330 1 161 . 1 1 16 16 VAL HG13 H 1 1.010 0.009 . 2 . . . . A 67 VAL HG13 . 34330 1 162 . 1 1 16 16 VAL HG21 H 1 0.902 0.005 . 2 . . . . A 67 VAL HG21 . 34330 1 163 . 1 1 16 16 VAL HG22 H 1 0.902 0.005 . 2 . . . . A 67 VAL HG22 . 34330 1 164 . 1 1 16 16 VAL HG23 H 1 0.902 0.005 . 2 . . . . A 67 VAL HG23 . 34330 1 165 . 1 1 16 16 VAL C C 13 176.847 0.000 . 1 . . . . A 67 VAL C . 34330 1 166 . 1 1 16 16 VAL CA C 13 64.888 0.054 . 1 . . . . A 67 VAL CA . 34330 1 167 . 1 1 16 16 VAL CB C 13 33.205 0.060 . 1 . . . . A 67 VAL CB . 34330 1 168 . 1 1 16 16 VAL CG1 C 13 20.674 0.037 . 2 . . . . A 67 VAL CG1 . 34330 1 169 . 1 1 16 16 VAL CG2 C 13 21.538 0.084 . 2 . . . . A 67 VAL CG2 . 34330 1 170 . 1 1 16 16 VAL N N 15 123.182 0.023 . 1 . . . . A 67 VAL N . 34330 1 171 . 1 1 17 17 CYS H H 1 8.839 0.004 . 1 . . . . A 68 CYS H . 34330 1 172 . 1 1 17 17 CYS HA H 1 4.795 0.011 . 1 . . . . A 68 CYS HA . 34330 1 173 . 1 1 17 17 CYS HB2 H 1 3.279 0.008 . 2 . . . . A 68 CYS HB2 . 34330 1 174 . 1 1 17 17 CYS HB3 H 1 2.943 0.004 . 2 . . . . A 68 CYS HB3 . 34330 1 175 . 1 1 17 17 CYS C C 13 176.425 0.001 . 1 . . . . A 68 CYS C . 34330 1 176 . 1 1 17 17 CYS CA C 13 59.792 0.093 . 1 . . . . A 68 CYS CA . 34330 1 177 . 1 1 17 17 CYS CB C 13 32.252 0.100 . 1 . . . . A 68 CYS CB . 34330 1 178 . 1 1 17 17 CYS N N 15 120.053 0.022 . 1 . . . . A 68 CYS N . 34330 1 179 . 1 1 18 18 ARG H H 1 7.506 0.004 . 1 . . . . A 69 ARG H . 34330 1 180 . 1 1 18 18 ARG HA H 1 4.232 0.006 . 1 . . . . A 69 ARG HA . 34330 1 181 . 1 1 18 18 ARG HB2 H 1 2.214 0.003 . 2 . . . . A 69 ARG HB2 . 34330 1 182 . 1 1 18 18 ARG HB3 H 1 2.052 0.004 . 2 . . . . A 69 ARG HB3 . 34330 1 183 . 1 1 18 18 ARG HG2 H 1 1.490 0.010 . 2 . . . . A 69 ARG HG2 . 34330 1 184 . 1 1 18 18 ARG HG3 H 1 1.514 0.005 . 2 . . . . A 69 ARG HG3 . 34330 1 185 . 1 1 18 18 ARG HD2 H 1 3.147 0.007 . 2 . . . . A 69 ARG HD2 . 34330 1 186 . 1 1 18 18 ARG HD3 H 1 3.101 0.007 . 2 . . . . A 69 ARG HD3 . 34330 1 187 . 1 1 18 18 ARG C C 13 175.560 0.001 . 1 . . . . A 69 ARG C . 34330 1 188 . 1 1 18 18 ARG CA C 13 58.463 0.072 . 1 . . . . A 69 ARG CA . 34330 1 189 . 1 1 18 18 ARG CB C 13 26.957 0.047 . 1 . . . . A 69 ARG CB . 34330 1 190 . 1 1 18 18 ARG CG C 13 27.456 0.048 . 1 . . . . A 69 ARG CG . 34330 1 191 . 1 1 18 18 ARG CD C 13 43.318 0.041 . 1 . . . . A 69 ARG CD . 34330 1 192 . 1 1 18 18 ARG N N 15 114.757 0.027 . 1 . . . . A 69 ARG N . 34330 1 193 . 1 1 19 19 GLU H H 1 8.635 0.006 . 1 . . . . A 70 GLU H . 34330 1 194 . 1 1 19 19 GLU HA H 1 4.347 0.003 . 1 . . . . A 70 GLU HA . 34330 1 195 . 1 1 19 19 GLU HB2 H 1 1.943 0.002 . 1 . . . . A 70 GLU HB2 . 34330 1 196 . 1 1 19 19 GLU HB3 H 1 1.943 0.002 . 1 . . . . A 70 GLU HB3 . 34330 1 197 . 1 1 19 19 GLU HG2 H 1 2.374 0.004 . 2 . . . . A 70 GLU HG2 . 34330 1 198 . 1 1 19 19 GLU HG3 H 1 2.392 0.014 . 2 . . . . A 70 GLU HG3 . 34330 1 199 . 1 1 19 19 GLU C C 13 177.096 0.000 . 1 . . . . A 70 GLU C . 34330 1 200 . 1 1 19 19 GLU CA C 13 57.010 0.092 . 1 . . . . A 70 GLU CA . 34330 1 201 . 1 1 19 19 GLU CB C 13 30.285 0.038 . 1 . . . . A 70 GLU CB . 34330 1 202 . 1 1 19 19 GLU CG C 13 37.026 0.033 . 1 . . . . A 70 GLU CG . 34330 1 203 . 1 1 19 19 GLU N N 15 122.362 0.029 . 1 . . . . A 70 GLU N . 34330 1 204 . 1 1 20 20 ARG H H 1 8.820 0.004 . 1 . . . . A 71 ARG H . 34330 1 205 . 1 1 20 20 ARG HA H 1 3.823 0.007 . 1 . . . . A 71 ARG HA . 34330 1 206 . 1 1 20 20 ARG HB2 H 1 1.655 0.003 . 2 . . . . A 71 ARG HB2 . 34330 1 207 . 1 1 20 20 ARG HB3 H 1 1.655 0.003 . 2 . . . . A 71 ARG HB3 . 34330 1 208 . 1 1 20 20 ARG HG2 H 1 1.427 0.003 . 2 . . . . A 71 ARG HG2 . 34330 1 209 . 1 1 20 20 ARG HG3 H 1 1.504 0.007 . 2 . . . . A 71 ARG HG3 . 34330 1 210 . 1 1 20 20 ARG HD2 H 1 3.091 0.006 . 1 . . . . A 71 ARG HD2 . 34330 1 211 . 1 1 20 20 ARG HD3 H 1 3.091 0.006 . 1 . . . . A 71 ARG HD3 . 34330 1 212 . 1 1 20 20 ARG C C 13 177.164 0.000 . 1 . . . . A 71 ARG C . 34330 1 213 . 1 1 20 20 ARG CA C 13 56.840 0.068 . 1 . . . . A 71 ARG CA . 34330 1 214 . 1 1 20 20 ARG CB C 13 30.131 0.027 . 1 . . . . A 71 ARG CB . 34330 1 215 . 1 1 20 20 ARG CG C 13 27.515 0.085 . 1 . . . . A 71 ARG CG . 34330 1 216 . 1 1 20 20 ARG CD C 13 43.135 0.072 . 1 . . . . A 71 ARG CD . 34330 1 217 . 1 1 20 20 ARG N N 15 121.645 0.031 . 1 . . . . A 71 ARG N . 34330 1 218 . 1 1 21 21 LEU H H 1 8.238 0.005 . 1 . . . . A 72 LEU H . 34330 1 219 . 1 1 21 21 LEU HA H 1 4.162 0.007 . 1 . . . . A 72 LEU HA . 34330 1 220 . 1 1 21 21 LEU HB2 H 1 1.544 0.010 . 2 . . . . A 72 LEU HB2 . 34330 1 221 . 1 1 21 21 LEU HB3 H 1 1.023 0.006 . 2 . . . . A 72 LEU HB3 . 34330 1 222 . 1 1 21 21 LEU HG H 1 1.544 0.014 . 1 . . . . A 72 LEU HG . 34330 1 223 . 1 1 21 21 LEU HD11 H 1 0.652 0.013 . 2 . . . . A 72 LEU HD11 . 34330 1 224 . 1 1 21 21 LEU HD12 H 1 0.652 0.013 . 2 . . . . A 72 LEU HD12 . 34330 1 225 . 1 1 21 21 LEU HD13 H 1 0.652 0.013 . 2 . . . . A 72 LEU HD13 . 34330 1 226 . 1 1 21 21 LEU HD21 H 1 0.661 0.014 . 2 . . . . A 72 LEU HD21 . 34330 1 227 . 1 1 21 21 LEU HD22 H 1 0.661 0.014 . 2 . . . . A 72 LEU HD22 . 34330 1 228 . 1 1 21 21 LEU HD23 H 1 0.661 0.014 . 2 . . . . A 72 LEU HD23 . 34330 1 229 . 1 1 21 21 LEU C C 13 175.544 0.000 . 1 . . . . A 72 LEU C . 34330 1 230 . 1 1 21 21 LEU CA C 13 55.066 0.058 . 1 . . . . A 72 LEU CA . 34330 1 231 . 1 1 21 21 LEU CB C 13 40.578 0.027 . 1 . . . . A 72 LEU CB . 34330 1 232 . 1 1 21 21 LEU CG C 13 28.410 0.032 . 1 . . . . A 72 LEU CG . 34330 1 233 . 1 1 21 21 LEU CD1 C 13 26.249 0.123 . 2 . . . . A 72 LEU CD1 . 34330 1 234 . 1 1 21 21 LEU CD2 C 13 23.348 0.048 . 2 . . . . A 72 LEU CD2 . 34330 1 235 . 1 1 21 21 LEU N N 15 126.102 0.027 . 1 . . . . A 72 LEU N . 34330 1 236 . 1 1 22 22 ARG H H 1 7.318 0.004 . 1 . . . . A 73 ARG H . 34330 1 237 . 1 1 22 22 ARG HA H 1 4.636 0.004 . 1 . . . . A 73 ARG HA . 34330 1 238 . 1 1 22 22 ARG HB2 H 1 2.055 0.004 . 1 . . . . A 73 ARG HB2 . 34330 1 239 . 1 1 22 22 ARG HB3 H 1 2.054 0.004 . 1 . . . . A 73 ARG HB3 . 34330 1 240 . 1 1 22 22 ARG HG2 H 1 1.623 0.008 . 2 . . . . A 73 ARG HG2 . 34330 1 241 . 1 1 22 22 ARG HG3 H 1 1.613 0.013 . 2 . . . . A 73 ARG HG3 . 34330 1 242 . 1 1 22 22 ARG HD2 H 1 3.215 0.007 . 2 . . . . A 73 ARG HD2 . 34330 1 243 . 1 1 22 22 ARG HD3 H 1 3.197 0.010 . 2 . . . . A 73 ARG HD3 . 34330 1 244 . 1 1 22 22 ARG C C 13 174.632 0.000 . 1 . . . . A 73 ARG C . 34330 1 245 . 1 1 22 22 ARG CA C 13 53.679 0.070 . 1 . . . . A 73 ARG CA . 34330 1 246 . 1 1 22 22 ARG CB C 13 30.760 0.043 . 1 . . . . A 73 ARG CB . 34330 1 247 . 1 1 22 22 ARG CG C 13 30.637 0.058 . 1 . . . . A 73 ARG CG . 34330 1 248 . 1 1 22 22 ARG CD C 13 43.418 0.012 . 1 . . . . A 73 ARG CD . 34330 1 249 . 1 1 22 22 ARG N N 15 120.436 0.018 . 1 . . . . A 73 ARG N . 34330 1 250 . 1 1 23 23 PRO HA H 1 4.087 0.003 . 1 . . . . A 74 PRO HA . 34330 1 251 . 1 1 23 23 PRO HB2 H 1 1.912 0.001 . 2 . . . . A 74 PRO HB2 . 34330 1 252 . 1 1 23 23 PRO HB3 H 1 2.304 0.005 . 2 . . . . A 74 PRO HB3 . 34330 1 253 . 1 1 23 23 PRO HG2 H 1 1.868 0.008 . 2 . . . . A 74 PRO HG2 . 34330 1 254 . 1 1 23 23 PRO HG3 H 1 2.147 0.004 . 2 . . . . A 74 PRO HG3 . 34330 1 255 . 1 1 23 23 PRO HD2 H 1 3.657 0.014 . 2 . . . . A 74 PRO HD2 . 34330 1 256 . 1 1 23 23 PRO HD3 H 1 3.764 0.003 . 2 . . . . A 74 PRO HD3 . 34330 1 257 . 1 1 23 23 PRO C C 13 179.672 0.000 . 1 . . . . A 74 PRO C . 34330 1 258 . 1 1 23 23 PRO CA C 13 66.372 0.080 . 1 . . . . A 74 PRO CA . 34330 1 259 . 1 1 23 23 PRO CB C 13 31.907 0.000 . 1 . . . . A 74 PRO CB . 34330 1 260 . 1 1 23 23 PRO CG C 13 28.365 0.005 . 1 . . . . A 74 PRO CG . 34330 1 261 . 1 1 23 23 PRO CD C 13 50.434 0.021 . 1 . . . . A 74 PRO CD . 34330 1 262 . 1 1 24 24 GLU H H 1 9.904 0.003 . 1 . . . . A 75 GLU H . 34330 1 263 . 1 1 24 24 GLU HA H 1 4.234 0.002 . 1 . . . . A 75 GLU HA . 34330 1 264 . 1 1 24 24 GLU HB2 H 1 2.041 0.010 . 2 . . . . A 75 GLU HB2 . 34330 1 265 . 1 1 24 24 GLU HB3 H 1 2.079 0.015 . 2 . . . . A 75 GLU HB3 . 34330 1 266 . 1 1 24 24 GLU HG2 H 1 2.292 0.007 . 2 . . . . A 75 GLU HG2 . 34330 1 267 . 1 1 24 24 GLU HG3 H 1 2.340 0.010 . 2 . . . . A 75 GLU HG3 . 34330 1 268 . 1 1 24 24 GLU C C 13 177.651 0.000 . 1 . . . . A 75 GLU C . 34330 1 269 . 1 1 24 24 GLU CA C 13 59.164 0.068 . 1 . . . . A 75 GLU CA . 34330 1 270 . 1 1 24 24 GLU CB C 13 28.319 0.055 . 1 . . . . A 75 GLU CB . 34330 1 271 . 1 1 24 24 GLU CG C 13 36.700 0.000 . 1 . . . . A 75 GLU CG . 34330 1 272 . 1 1 24 24 GLU N N 15 117.617 0.022 . 1 . . . . A 75 GLU N . 34330 1 273 . 1 1 25 25 ARG H H 1 7.870 0.003 . 1 . . . . A 76 ARG H . 34330 1 274 . 1 1 25 25 ARG HA H 1 4.362 0.004 . 1 . . . . A 76 ARG HA . 34330 1 275 . 1 1 25 25 ARG HB2 H 1 2.471 0.004 . 2 . . . . A 76 ARG HB2 . 34330 1 276 . 1 1 25 25 ARG HB3 H 1 1.861 0.011 . 2 . . . . A 76 ARG HB3 . 34330 1 277 . 1 1 25 25 ARG HG2 H 1 1.612 0.005 . 2 . . . . A 76 ARG HG2 . 34330 1 278 . 1 1 25 25 ARG HG3 H 1 1.859 0.015 . 2 . . . . A 76 ARG HG3 . 34330 1 279 . 1 1 25 25 ARG HD2 H 1 3.275 0.003 . 1 . . . . A 76 ARG HD2 . 34330 1 280 . 1 1 25 25 ARG HD3 H 1 3.275 0.003 . 1 . . . . A 76 ARG HD3 . 34330 1 281 . 1 1 25 25 ARG C C 13 175.734 0.001 . 1 . . . . A 76 ARG C . 34330 1 282 . 1 1 25 25 ARG CA C 13 54.993 0.071 . 1 . . . . A 76 ARG CA . 34330 1 283 . 1 1 25 25 ARG CB C 13 29.509 0.080 . 1 . . . . A 76 ARG CB . 34330 1 284 . 1 1 25 25 ARG CG C 13 27.042 0.062 . 1 . . . . A 76 ARG CG . 34330 1 285 . 1 1 25 25 ARG CD C 13 41.558 0.025 . 1 . . . . A 76 ARG CD . 34330 1 286 . 1 1 25 25 ARG N N 15 116.895 0.028 . 1 . . . . A 76 ARG N . 34330 1 287 . 1 1 26 26 GLU H H 1 8.396 0.004 . 1 . . . . A 77 GLU H . 34330 1 288 . 1 1 26 26 GLU HA H 1 4.017 0.006 . 1 . . . . A 77 GLU HA . 34330 1 289 . 1 1 26 26 GLU HB2 H 1 2.223 0.004 . 2 . . . . A 77 GLU HB2 . 34330 1 290 . 1 1 26 26 GLU HB3 H 1 2.014 0.009 . 2 . . . . A 77 GLU HB3 . 34330 1 291 . 1 1 26 26 GLU HG2 H 1 2.225 0.004 . 1 . . . . A 77 GLU HG2 . 34330 1 292 . 1 1 26 26 GLU HG3 H 1 2.225 0.004 . 1 . . . . A 77 GLU HG3 . 34330 1 293 . 1 1 26 26 GLU C C 13 172.256 0.000 . 1 . . . . A 77 GLU C . 34330 1 294 . 1 1 26 26 GLU CA C 13 56.401 0.057 . 1 . . . . A 77 GLU CA . 34330 1 295 . 1 1 26 26 GLU CB C 13 28.311 0.071 . 1 . . . . A 77 GLU CB . 34330 1 296 . 1 1 26 26 GLU CG C 13 36.408 0.069 . 1 . . . . A 77 GLU CG . 34330 1 297 . 1 1 26 26 GLU N N 15 116.848 0.036 . 1 . . . . A 77 GLU N . 34330 1 298 . 1 1 27 27 PRO HA H 1 4.433 0.008 . 1 . . . . A 78 PRO HA . 34330 1 299 . 1 1 27 27 PRO HB2 H 1 1.946 0.000 . 2 . . . . A 78 PRO HB2 . 34330 1 300 . 1 1 27 27 PRO HB3 H 1 2.300 0.000 . 2 . . . . A 78 PRO HB3 . 34330 1 301 . 1 1 27 27 PRO HG2 H 1 2.016 0.005 . 2 . . . . A 78 PRO HG2 . 34330 1 302 . 1 1 27 27 PRO HG3 H 1 1.919 0.000 . 2 . . . . A 78 PRO HG3 . 34330 1 303 . 1 1 27 27 PRO HD2 H 1 3.803 0.000 . 2 . . . . A 78 PRO HD2 . 34330 1 304 . 1 1 27 27 PRO HD3 H 1 3.561 0.004 . 2 . . . . A 78 PRO HD3 . 34330 1 305 . 1 1 27 27 PRO C C 13 176.738 0.000 . 1 . . . . A 78 PRO C . 34330 1 306 . 1 1 27 27 PRO CA C 13 63.009 0.070 . 1 . . . . A 78 PRO CA . 34330 1 307 . 1 1 27 27 PRO CB C 13 32.896 0.035 . 1 . . . . A 78 PRO CB . 34330 1 308 . 1 1 27 27 PRO CG C 13 27.176 0.040 . 1 . . . . A 78 PRO CG . 34330 1 309 . 1 1 27 27 PRO CD C 13 50.488 0.080 . 1 . . . . A 78 PRO CD . 34330 1 310 . 1 1 28 28 ARG H H 1 8.907 0.004 . 1 . . . . A 79 ARG H . 34330 1 311 . 1 1 28 28 ARG HA H 1 4.876 0.005 . 1 . . . . A 79 ARG HA . 34330 1 312 . 1 1 28 28 ARG HB2 H 1 1.605 0.004 . 2 . . . . A 79 ARG HB2 . 34330 1 313 . 1 1 28 28 ARG HB3 H 1 1.757 0.007 . 2 . . . . A 79 ARG HB3 . 34330 1 314 . 1 1 28 28 ARG HG2 H 1 1.865 0.000 . 2 . . . . A 79 ARG HG2 . 34330 1 315 . 1 1 28 28 ARG HG3 H 1 1.737 0.000 . 2 . . . . A 79 ARG HG3 . 34330 1 316 . 1 1 28 28 ARG HD2 H 1 3.141 0.003 . 2 . . . . A 79 ARG HD2 . 34330 1 317 . 1 1 28 28 ARG HD3 H 1 3.141 0.003 . 2 . . . . A 79 ARG HD3 . 34330 1 318 . 1 1 28 28 ARG C C 13 174.066 0.005 . 1 . . . . A 79 ARG C . 34330 1 319 . 1 1 28 28 ARG CA C 13 53.753 0.063 . 1 . . . . A 79 ARG CA . 34330 1 320 . 1 1 28 28 ARG CB C 13 32.767 0.049 . 1 . . . . A 79 ARG CB . 34330 1 321 . 1 1 28 28 ARG CG C 13 26.998 0.004 . 1 . . . . A 79 ARG CG . 34330 1 322 . 1 1 28 28 ARG CD C 13 42.673 0.000 . 1 . . . . A 79 ARG CD . 34330 1 323 . 1 1 28 28 ARG N N 15 122.197 0.025 . 1 . . . . A 79 ARG N . 34330 1 324 . 1 1 29 29 LEU H H 1 8.772 0.004 . 1 . . . . A 80 LEU H . 34330 1 325 . 1 1 29 29 LEU HA H 1 4.818 0.006 . 1 . . . . A 80 LEU HA . 34330 1 326 . 1 1 29 29 LEU HB2 H 1 1.681 0.005 . 2 . . . . A 80 LEU HB2 . 34330 1 327 . 1 1 29 29 LEU HB3 H 1 0.958 0.008 . 2 . . . . A 80 LEU HB3 . 34330 1 328 . 1 1 29 29 LEU HG H 1 1.381 0.000 . 1 . . . . A 80 LEU HG . 34330 1 329 . 1 1 29 29 LEU HD11 H 1 0.671 0.005 . 2 . . . . A 80 LEU HD11 . 34330 1 330 . 1 1 29 29 LEU HD12 H 1 0.671 0.005 . 2 . . . . A 80 LEU HD12 . 34330 1 331 . 1 1 29 29 LEU HD13 H 1 0.671 0.005 . 2 . . . . A 80 LEU HD13 . 34330 1 332 . 1 1 29 29 LEU HD21 H 1 0.623 0.019 . 2 . . . . A 80 LEU HD21 . 34330 1 333 . 1 1 29 29 LEU HD22 H 1 0.623 0.019 . 2 . . . . A 80 LEU HD22 . 34330 1 334 . 1 1 29 29 LEU HD23 H 1 0.623 0.019 . 2 . . . . A 80 LEU HD23 . 34330 1 335 . 1 1 29 29 LEU C C 13 175.895 0.011 . 1 . . . . A 80 LEU C . 34330 1 336 . 1 1 29 29 LEU CA C 13 53.954 0.082 . 1 . . . . A 80 LEU CA . 34330 1 337 . 1 1 29 29 LEU CB C 13 44.165 0.045 . 1 . . . . A 80 LEU CB . 34330 1 338 . 1 1 29 29 LEU CG C 13 26.715 0.000 . 1 . . . . A 80 LEU CG . 34330 1 339 . 1 1 29 29 LEU CD1 C 13 23.898 0.032 . 2 . . . . A 80 LEU CD1 . 34330 1 340 . 1 1 29 29 LEU CD2 C 13 25.912 0.037 . 2 . . . . A 80 LEU CD2 . 34330 1 341 . 1 1 29 29 LEU N N 15 123.995 0.028 . 1 . . . . A 80 LEU N . 34330 1 342 . 1 1 30 30 LEU H H 1 8.816 0.004 . 1 . . . . A 81 LEU H . 34330 1 343 . 1 1 30 30 LEU HA H 1 4.646 0.009 . 1 . . . . A 81 LEU HA . 34330 1 344 . 1 1 30 30 LEU HB2 H 1 2.138 0.009 . 2 . . . . A 81 LEU HB2 . 34330 1 345 . 1 1 30 30 LEU HB3 H 1 2.125 0.012 . 2 . . . . A 81 LEU HB3 . 34330 1 346 . 1 1 30 30 LEU HG H 1 1.773 0.004 . 1 . . . . A 81 LEU HG . 34330 1 347 . 1 1 30 30 LEU HD11 H 1 0.971 0.004 . 2 . . . . A 81 LEU HD11 . 34330 1 348 . 1 1 30 30 LEU HD12 H 1 0.971 0.004 . 2 . . . . A 81 LEU HD12 . 34330 1 349 . 1 1 30 30 LEU HD13 H 1 0.971 0.004 . 2 . . . . A 81 LEU HD13 . 34330 1 350 . 1 1 30 30 LEU HD21 H 1 0.966 0.005 . 2 . . . . A 81 LEU HD21 . 34330 1 351 . 1 1 30 30 LEU HD22 H 1 0.966 0.005 . 2 . . . . A 81 LEU HD22 . 34330 1 352 . 1 1 30 30 LEU HD23 H 1 0.966 0.005 . 2 . . . . A 81 LEU HD23 . 34330 1 353 . 1 1 30 30 LEU C C 13 177.403 0.000 . 1 . . . . A 81 LEU C . 34330 1 354 . 1 1 30 30 LEU CA C 13 55.455 0.018 . 1 . . . . A 81 LEU CA . 34330 1 355 . 1 1 30 30 LEU CB C 13 42.188 0.043 . 1 . . . . A 81 LEU CB . 34330 1 356 . 1 1 30 30 LEU CG C 13 29.632 0.000 . 1 . . . . A 81 LEU CG . 34330 1 357 . 1 1 30 30 LEU CD1 C 13 24.694 0.000 . 2 . . . . A 81 LEU CD1 . 34330 1 358 . 1 1 30 30 LEU CD2 C 13 24.558 0.000 . 2 . . . . A 81 LEU CD2 . 34330 1 359 . 1 1 30 30 LEU N N 15 130.922 0.031 . 1 . . . . A 81 LEU N . 34330 1 360 . 1 1 31 31 PRO HA H 1 4.383 0.006 . 1 . . . . A 82 PRO HA . 34330 1 361 . 1 1 31 31 PRO HB2 H 1 2.377 0.007 . 2 . . . . A 82 PRO HB2 . 34330 1 362 . 1 1 31 31 PRO HB3 H 1 2.069 0.011 . 2 . . . . A 82 PRO HB3 . 34330 1 363 . 1 1 31 31 PRO HG2 H 1 2.164 0.001 . 2 . . . . A 82 PRO HG2 . 34330 1 364 . 1 1 31 31 PRO HG3 H 1 2.129 0.021 . 2 . . . . A 82 PRO HG3 . 34330 1 365 . 1 1 31 31 PRO HD2 H 1 3.965 0.002 . 2 . . . . A 82 PRO HD2 . 34330 1 366 . 1 1 31 31 PRO HD3 H 1 3.556 0.004 . 2 . . . . A 82 PRO HD3 . 34330 1 367 . 1 1 31 31 PRO C C 13 176.314 0.000 . 1 . . . . A 82 PRO C . 34330 1 368 . 1 1 31 31 PRO CA C 13 65.216 0.096 . 1 . . . . A 82 PRO CA . 34330 1 369 . 1 1 31 31 PRO CB C 13 31.405 0.063 . 1 . . . . A 82 PRO CB . 34330 1 370 . 1 1 31 31 PRO CG C 13 28.520 0.076 . 1 . . . . A 82 PRO CG . 34330 1 371 . 1 1 31 31 PRO CD C 13 50.849 0.080 . 1 . . . . A 82 PRO CD . 34330 1 372 . 1 1 32 32 CYS H H 1 7.462 0.006 . 1 . . . . A 83 CYS H . 34330 1 373 . 1 1 32 32 CYS HA H 1 4.298 0.005 . 1 . . . . A 83 CYS HA . 34330 1 374 . 1 1 32 32 CYS HB2 H 1 2.944 0.003 . 2 . . . . A 83 CYS HB2 . 34330 1 375 . 1 1 32 32 CYS HB3 H 1 2.615 0.005 . 2 . . . . A 83 CYS HB3 . 34330 1 376 . 1 1 32 32 CYS C C 13 174.401 0.000 . 1 . . . . A 83 CYS C . 34330 1 377 . 1 1 32 32 CYS CA C 13 57.456 0.040 . 1 . . . . A 83 CYS CA . 34330 1 378 . 1 1 32 32 CYS CB C 13 29.977 0.051 . 1 . . . . A 83 CYS CB . 34330 1 379 . 1 1 32 32 CYS N N 15 114.820 0.033 . 1 . . . . A 83 CYS N . 34330 1 380 . 1 1 33 33 LEU H H 1 8.368 0.003 . 1 . . . . A 84 LEU H . 34330 1 381 . 1 1 33 33 LEU HA H 1 3.774 0.006 . 1 . . . . A 84 LEU HA . 34330 1 382 . 1 1 33 33 LEU HB2 H 1 2.068 0.004 . 2 . . . . A 84 LEU HB2 . 34330 1 383 . 1 1 33 33 LEU HB3 H 1 1.514 0.002 . 2 . . . . A 84 LEU HB3 . 34330 1 384 . 1 1 33 33 LEU HG H 1 1.382 0.005 . 1 . . . . A 84 LEU HG . 34330 1 385 . 1 1 33 33 LEU HD11 H 1 0.847 0.011 . 2 . . . . A 84 LEU HD11 . 34330 1 386 . 1 1 33 33 LEU HD12 H 1 0.847 0.011 . 2 . . . . A 84 LEU HD12 . 34330 1 387 . 1 1 33 33 LEU HD13 H 1 0.847 0.011 . 2 . . . . A 84 LEU HD13 . 34330 1 388 . 1 1 33 33 LEU HD21 H 1 0.791 0.012 . 2 . . . . A 84 LEU HD21 . 34330 1 389 . 1 1 33 33 LEU HD22 H 1 0.791 0.012 . 2 . . . . A 84 LEU HD22 . 34330 1 390 . 1 1 33 33 LEU HD23 H 1 0.791 0.012 . 2 . . . . A 84 LEU HD23 . 34330 1 391 . 1 1 33 33 LEU C C 13 176.104 0.007 . 1 . . . . A 84 LEU C . 34330 1 392 . 1 1 33 33 LEU CA C 13 56.865 0.037 . 1 . . . . A 84 LEU CA . 34330 1 393 . 1 1 33 33 LEU CB C 13 37.143 0.027 . 1 . . . . A 84 LEU CB . 34330 1 394 . 1 1 33 33 LEU CG C 13 26.990 0.075 . 1 . . . . A 84 LEU CG . 34330 1 395 . 1 1 33 33 LEU CD1 C 13 25.286 0.077 . 2 . . . . A 84 LEU CD1 . 34330 1 396 . 1 1 33 33 LEU CD2 C 13 22.588 0.044 . 2 . . . . A 84 LEU CD2 . 34330 1 397 . 1 1 33 33 LEU N N 15 114.599 0.027 . 1 . . . . A 84 LEU N . 34330 1 398 . 1 1 34 34 HIS H H 1 7.384 0.007 . 1 . . . . A 85 HIS H . 34330 1 399 . 1 1 34 34 HIS HA H 1 4.898 0.004 . 1 . . . . A 85 HIS HA . 34330 1 400 . 1 1 34 34 HIS HB2 H 1 3.415 0.006 . 2 . . . . A 85 HIS HB2 . 34330 1 401 . 1 1 34 34 HIS HB3 H 1 3.019 0.005 . 2 . . . . A 85 HIS HB3 . 34330 1 402 . 1 1 34 34 HIS HD2 H 1 7.314 0.002 . 1 . . . . A 85 HIS HD2 . 34330 1 403 . 1 1 34 34 HIS HE1 H 1 7.828 0.000 . 1 . . . . A 85 HIS HE1 . 34330 1 404 . 1 1 34 34 HIS C C 13 173.401 0.000 . 1 . . . . A 85 HIS C . 34330 1 405 . 1 1 34 34 HIS CA C 13 57.828 0.059 . 1 . . . . A 85 HIS CA . 34330 1 406 . 1 1 34 34 HIS CB C 13 31.834 0.058 . 1 . . . . A 85 HIS CB . 34330 1 407 . 1 1 34 34 HIS CD2 C 13 118.686 0.000 . 1 . . . . A 85 HIS CD2 . 34330 1 408 . 1 1 34 34 HIS CE1 C 13 138.235 0.000 . 1 . . . . A 85 HIS CE1 . 34330 1 409 . 1 1 34 34 HIS N N 15 118.772 0.032 . 1 . . . . A 85 HIS N . 34330 1 410 . 1 1 35 35 SER H H 1 8.688 0.004 . 1 . . . . A 86 SER H . 34330 1 411 . 1 1 35 35 SER HA H 1 5.800 0.005 . 1 . . . . A 86 SER HA . 34330 1 412 . 1 1 35 35 SER HB2 H 1 3.643 0.006 . 2 . . . . A 86 SER HB2 . 34330 1 413 . 1 1 35 35 SER HB3 H 1 3.589 0.011 . 2 . . . . A 86 SER HB3 . 34330 1 414 . 1 1 35 35 SER C C 13 173.371 0.014 . 1 . . . . A 86 SER C . 34330 1 415 . 1 1 35 35 SER CA C 13 56.977 0.061 . 1 . . . . A 86 SER CA . 34330 1 416 . 1 1 35 35 SER CB C 13 67.131 0.051 . 1 . . . . A 86 SER CB . 34330 1 417 . 1 1 35 35 SER N N 15 115.193 0.034 . 1 . . . . A 86 SER N . 34330 1 418 . 1 1 36 36 ALA H H 1 8.621 0.008 . 1 . . . . A 87 ALA H . 34330 1 419 . 1 1 36 36 ALA HA H 1 5.797 0.005 . 1 . . . . A 87 ALA HA . 34330 1 420 . 1 1 36 36 ALA HB1 H 1 1.255 0.009 . 1 . . . . A 87 ALA HB1 . 34330 1 421 . 1 1 36 36 ALA HB2 H 1 1.255 0.009 . 1 . . . . A 87 ALA HB2 . 34330 1 422 . 1 1 36 36 ALA HB3 H 1 1.255 0.009 . 1 . . . . A 87 ALA HB3 . 34330 1 423 . 1 1 36 36 ALA C C 13 175.978 0.008 . 1 . . . . A 87 ALA C . 34330 1 424 . 1 1 36 36 ALA CA C 13 50.585 0.058 . 1 . . . . A 87 ALA CA . 34330 1 425 . 1 1 36 36 ALA CB C 13 22.904 0.038 . 1 . . . . A 87 ALA CB . 34330 1 426 . 1 1 36 36 ALA N N 15 122.246 0.045 . 1 . . . . A 87 ALA N . 34330 1 427 . 1 1 37 37 CYS H H 1 8.796 0.007 . 1 . . . . A 88 CYS H . 34330 1 428 . 1 1 37 37 CYS HA H 1 3.876 0.004 . 1 . . . . A 88 CYS HA . 34330 1 429 . 1 1 37 37 CYS HB2 H 1 3.297 0.007 . 2 . . . . A 88 CYS HB2 . 34330 1 430 . 1 1 37 37 CYS HB3 H 1 3.426 0.004 . 2 . . . . A 88 CYS HB3 . 34330 1 431 . 1 1 37 37 CYS C C 13 177.823 0.000 . 1 . . . . A 88 CYS C . 34330 1 432 . 1 1 37 37 CYS CA C 13 59.231 0.032 . 1 . . . . A 88 CYS CA . 34330 1 433 . 1 1 37 37 CYS CB C 13 31.095 0.058 . 1 . . . . A 88 CYS CB . 34330 1 434 . 1 1 37 37 CYS N N 15 124.021 0.016 . 1 . . . . A 88 CYS N . 34330 1 435 . 1 1 38 38 SER H H 1 8.029 0.003 . 1 . . . . A 89 SER H . 34330 1 436 . 1 1 38 38 SER HA H 1 4.009 0.005 . 1 . . . . A 89 SER HA . 34330 1 437 . 1 1 38 38 SER HB2 H 1 4.174 0.002 . 1 . . . . A 89 SER HB2 . 34330 1 438 . 1 1 38 38 SER HB3 H 1 4.174 0.002 . 1 . . . . A 89 SER HB3 . 34330 1 439 . 1 1 38 38 SER C C 13 177.831 0.002 . 1 . . . . A 89 SER C . 34330 1 440 . 1 1 38 38 SER CA C 13 63.790 0.056 . 1 . . . . A 89 SER CA . 34330 1 441 . 1 1 38 38 SER CB C 13 62.701 0.071 . 1 . . . . A 89 SER CB . 34330 1 442 . 1 1 38 38 SER N N 15 119.343 0.024 . 1 . . . . A 89 SER N . 34330 1 443 . 1 1 39 39 ALA H H 1 9.078 0.004 . 1 . . . . A 90 ALA H . 34330 1 444 . 1 1 39 39 ALA HA H 1 4.223 0.005 . 1 . . . . A 90 ALA HA . 34330 1 445 . 1 1 39 39 ALA HB1 H 1 1.463 0.010 . 1 . . . . A 90 ALA HB1 . 34330 1 446 . 1 1 39 39 ALA HB2 H 1 1.463 0.010 . 1 . . . . A 90 ALA HB2 . 34330 1 447 . 1 1 39 39 ALA HB3 H 1 1.463 0.010 . 1 . . . . A 90 ALA HB3 . 34330 1 448 . 1 1 39 39 ALA C C 13 179.252 0.000 . 1 . . . . A 90 ALA C . 34330 1 449 . 1 1 39 39 ALA CA C 13 54.105 0.068 . 1 . . . . A 90 ALA CA . 34330 1 450 . 1 1 39 39 ALA CB C 13 18.629 0.071 . 1 . . . . A 90 ALA CB . 34330 1 451 . 1 1 39 39 ALA N N 15 120.451 0.031 . 1 . . . . A 90 ALA N . 34330 1 452 . 1 1 40 40 CYS H H 1 7.489 0.005 . 1 . . . . A 91 CYS H . 34330 1 453 . 1 1 40 40 CYS HA H 1 4.104 0.004 . 1 . . . . A 91 CYS HA . 34330 1 454 . 1 1 40 40 CYS HB2 H 1 2.868 0.005 . 2 . . . . A 91 CYS HB2 . 34330 1 455 . 1 1 40 40 CYS HB3 H 1 2.950 0.004 . 2 . . . . A 91 CYS HB3 . 34330 1 456 . 1 1 40 40 CYS C C 13 175.576 0.007 . 1 . . . . A 91 CYS C . 34330 1 457 . 1 1 40 40 CYS CA C 13 62.241 0.101 . 1 . . . . A 91 CYS CA . 34330 1 458 . 1 1 40 40 CYS CB C 13 29.955 0.055 . 1 . . . . A 91 CYS CB . 34330 1 459 . 1 1 40 40 CYS N N 15 117.820 0.023 . 1 . . . . A 91 CYS N . 34330 1 460 . 1 1 41 41 LEU H H 1 7.348 0.006 . 1 . . . . A 92 LEU H . 34330 1 461 . 1 1 41 41 LEU HA H 1 4.188 0.003 . 1 . . . . A 92 LEU HA . 34330 1 462 . 1 1 41 41 LEU HB2 H 1 1.718 0.006 . 2 . . . . A 92 LEU HB2 . 34330 1 463 . 1 1 41 41 LEU HB3 H 1 1.672 0.005 . 2 . . . . A 92 LEU HB3 . 34330 1 464 . 1 1 41 41 LEU HG H 1 1.698 0.009 . 1 . . . . A 92 LEU HG . 34330 1 465 . 1 1 41 41 LEU HD11 H 1 0.798 0.005 . 2 . . . . A 92 LEU HD11 . 34330 1 466 . 1 1 41 41 LEU HD12 H 1 0.798 0.005 . 2 . . . . A 92 LEU HD12 . 34330 1 467 . 1 1 41 41 LEU HD13 H 1 0.798 0.005 . 2 . . . . A 92 LEU HD13 . 34330 1 468 . 1 1 41 41 LEU HD21 H 1 0.887 0.007 . 2 . . . . A 92 LEU HD21 . 34330 1 469 . 1 1 41 41 LEU HD22 H 1 0.887 0.007 . 2 . . . . A 92 LEU HD22 . 34330 1 470 . 1 1 41 41 LEU HD23 H 1 0.887 0.007 . 2 . . . . A 92 LEU HD23 . 34330 1 471 . 1 1 41 41 LEU C C 13 177.264 0.007 . 1 . . . . A 92 LEU C . 34330 1 472 . 1 1 41 41 LEU CA C 13 55.569 0.041 . 1 . . . . A 92 LEU CA . 34330 1 473 . 1 1 41 41 LEU CB C 13 43.028 0.019 . 1 . . . . A 92 LEU CB . 34330 1 474 . 1 1 41 41 LEU CG C 13 27.020 0.000 . 1 . . . . A 92 LEU CG . 34330 1 475 . 1 1 41 41 LEU CD1 C 13 24.316 0.054 . 2 . . . . A 92 LEU CD1 . 34330 1 476 . 1 1 41 41 LEU CD2 C 13 25.435 0.059 . 2 . . . . A 92 LEU CD2 . 34330 1 477 . 1 1 41 41 LEU N N 15 118.867 0.018 . 1 . . . . A 92 LEU N . 34330 1 478 . 1 1 42 42 GLY H H 1 7.825 0.003 . 1 . . . . A 93 GLY H . 34330 1 479 . 1 1 42 42 GLY HA2 H 1 4.076 0.007 . 2 . . . . A 93 GLY HA2 . 34330 1 480 . 1 1 42 42 GLY HA3 H 1 4.069 0.010 . 2 . . . . A 93 GLY HA3 . 34330 1 481 . 1 1 42 42 GLY C C 13 171.489 0.000 . 1 . . . . A 93 GLY C . 34330 1 482 . 1 1 42 42 GLY CA C 13 44.628 0.030 . 1 . . . . A 93 GLY CA . 34330 1 483 . 1 1 42 42 GLY N N 15 107.132 0.022 . 1 . . . . A 93 GLY N . 34330 1 484 . 1 1 43 43 PRO HA H 1 4.412 0.000 . 1 . . . . A 94 PRO HA . 34330 1 485 . 1 1 43 43 PRO HB2 H 1 2.377 0.007 . 2 . . . . A 94 PRO HB2 . 34330 1 486 . 1 1 43 43 PRO HB3 H 1 2.308 0.000 . 2 . . . . A 94 PRO HB3 . 34330 1 487 . 1 1 43 43 PRO HG2 H 1 2.011 0.000 . 2 . . . . A 94 PRO HG2 . 34330 1 488 . 1 1 43 43 PRO HG3 H 1 1.941 0.005 . 2 . . . . A 94 PRO HG3 . 34330 1 489 . 1 1 43 43 PRO HD2 H 1 3.978 0.000 . 2 . . . . A 94 PRO HD2 . 34330 1 490 . 1 1 43 43 PRO HD3 H 1 3.556 0.000 . 2 . . . . A 94 PRO HD3 . 34330 1 491 . 1 1 43 43 PRO C C 13 176.309 0.000 . 1 . . . . A 94 PRO C . 34330 1 492 . 1 1 43 43 PRO CA C 13 62.476 0.062 . 1 . . . . A 94 PRO CA . 34330 1 493 . 1 1 43 43 PRO CB C 13 34.780 0.007 . 1 . . . . A 94 PRO CB . 34330 1 494 . 1 1 43 43 PRO CG C 13 27.305 0.026 . 1 . . . . A 94 PRO CG . 34330 1 495 . 1 1 43 43 PRO CD C 13 50.584 0.005 . 1 . . . . A 94 PRO CD . 34330 1 496 . 1 1 44 44 ALA H H 1 8.604 0.003 . 1 . . . . A 95 ALA H . 34330 1 497 . 1 1 44 44 ALA HA H 1 4.382 0.000 . 1 . . . . A 95 ALA HA . 34330 1 498 . 1 1 44 44 ALA HB1 H 1 1.370 0.002 . 1 . . . . A 95 ALA HB1 . 34330 1 499 . 1 1 44 44 ALA HB2 H 1 1.370 0.002 . 1 . . . . A 95 ALA HB2 . 34330 1 500 . 1 1 44 44 ALA HB3 H 1 1.370 0.002 . 1 . . . . A 95 ALA HB3 . 34330 1 501 . 1 1 44 44 ALA C C 13 177.514 0.000 . 1 . . . . A 95 ALA C . 34330 1 502 . 1 1 44 44 ALA CA C 13 52.396 0.000 . 1 . . . . A 95 ALA CA . 34330 1 503 . 1 1 44 44 ALA CB C 13 19.259 0.000 . 1 . . . . A 95 ALA CB . 34330 1 504 . 1 1 44 44 ALA N N 15 124.927 0.054 . 1 . . . . A 95 ALA N . 34330 1 505 . 1 1 45 45 ALA H H 1 8.310 0.002 . 1 . . . . A 96 ALA H . 34330 1 506 . 1 1 45 45 ALA HA H 1 4.296 0.000 . 1 . . . . A 96 ALA HA . 34330 1 507 . 1 1 45 45 ALA HB1 H 1 1.384 0.001 . 1 . . . . A 96 ALA HB1 . 34330 1 508 . 1 1 45 45 ALA HB2 H 1 1.384 0.001 . 1 . . . . A 96 ALA HB2 . 34330 1 509 . 1 1 45 45 ALA HB3 H 1 1.384 0.001 . 1 . . . . A 96 ALA HB3 . 34330 1 510 . 1 1 45 45 ALA C C 13 177.651 0.000 . 1 . . . . A 96 ALA C . 34330 1 511 . 1 1 45 45 ALA CB C 13 19.289 0.036 . 1 . . . . A 96 ALA CB . 34330 1 512 . 1 1 45 45 ALA N N 15 123.123 0.031 . 1 . . . . A 96 ALA N . 34330 1 513 . 1 1 46 46 PRO HA H 1 4.428 0.000 . 1 . . . . A 97 PRO HA . 34330 1 514 . 1 1 46 46 PRO HB2 H 1 2.315 0.000 . 2 . . . . A 97 PRO HB2 . 34330 1 515 . 1 1 46 46 PRO HB3 H 1 2.167 0.000 . 2 . . . . A 97 PRO HB3 . 34330 1 516 . 1 1 46 46 PRO HG2 H 1 2.015 0.000 . 2 . . . . A 97 PRO HG2 . 34330 1 517 . 1 1 46 46 PRO HG3 H 1 1.921 0.000 . 2 . . . . A 97 PRO HG3 . 34330 1 518 . 1 1 46 46 PRO HD2 H 1 3.633 0.000 . 2 . . . . A 97 PRO HD2 . 34330 1 519 . 1 1 46 46 PRO HD3 H 1 3.976 0.000 . 2 . . . . A 97 PRO HD3 . 34330 1 520 . 1 1 46 46 PRO C C 13 175.932 0.000 . 1 . . . . A 97 PRO C . 34330 1 521 . 1 1 46 46 PRO CA C 13 62.698 0.015 . 1 . . . . A 97 PRO CA . 34330 1 522 . 1 1 46 46 PRO CB C 13 34.196 0.005 . 1 . . . . A 97 PRO CB . 34330 1 523 . 1 1 46 46 PRO CG C 13 27.206 0.013 . 1 . . . . A 97 PRO CG . 34330 1 524 . 1 1 46 46 PRO CD C 13 50.723 0.004 . 1 . . . . A 97 PRO CD . 34330 1 525 . 1 1 47 47 ALA H H 1 8.531 0.003 . 1 . . . . A 98 ALA H . 34330 1 526 . 1 1 47 47 ALA HA H 1 4.355 0.000 . 1 . . . . A 98 ALA HA . 34330 1 527 . 1 1 47 47 ALA HB1 H 1 1.385 0.000 . 1 . . . . A 98 ALA HB1 . 34330 1 528 . 1 1 47 47 ALA HB2 H 1 1.385 0.000 . 1 . . . . A 98 ALA HB2 . 34330 1 529 . 1 1 47 47 ALA HB3 H 1 1.385 0.000 . 1 . . . . A 98 ALA HB3 . 34330 1 530 . 1 1 47 47 ALA C C 13 177.626 0.000 . 1 . . . . A 98 ALA C . 34330 1 531 . 1 1 47 47 ALA CA C 13 52.748 0.000 . 1 . . . . A 98 ALA CA . 34330 1 532 . 1 1 47 47 ALA CB C 13 19.285 0.000 . 1 . . . . A 98 ALA CB . 34330 1 533 . 1 1 47 47 ALA N N 15 125.665 0.033 . 1 . . . . A 98 ALA N . 34330 1 534 . 1 1 48 48 ALA H H 1 8.314 0.001 . 1 . . . . A 99 ALA H . 34330 1 535 . 1 1 48 48 ALA HA H 1 4.238 0.000 . 1 . . . . A 99 ALA HA . 34330 1 536 . 1 1 48 48 ALA HB1 H 1 1.387 0.000 . 1 . . . . A 99 ALA HB1 . 34330 1 537 . 1 1 48 48 ALA HB2 H 1 1.387 0.000 . 1 . . . . A 99 ALA HB2 . 34330 1 538 . 1 1 48 48 ALA HB3 H 1 1.387 0.000 . 1 . . . . A 99 ALA HB3 . 34330 1 539 . 1 1 48 48 ALA C C 13 177.663 0.000 . 1 . . . . A 99 ALA C . 34330 1 540 . 1 1 48 48 ALA CB C 13 19.267 0.000 . 1 . . . . A 99 ALA CB . 34330 1 541 . 1 1 48 48 ALA N N 15 122.863 0.014 . 1 . . . . A 99 ALA N . 34330 1 542 . 1 1 49 49 ALA H H 1 8.273 0.005 . 1 . . . . A 100 ALA H . 34330 1 543 . 1 1 49 49 ALA HA H 1 4.275 0.000 . 1 . . . . A 100 ALA HA . 34330 1 544 . 1 1 49 49 ALA HB1 H 1 1.387 0.000 . 1 . . . . A 100 ALA HB1 . 34330 1 545 . 1 1 49 49 ALA HB2 H 1 1.387 0.000 . 1 . . . . A 100 ALA HB2 . 34330 1 546 . 1 1 49 49 ALA HB3 H 1 1.387 0.000 . 1 . . . . A 100 ALA HB3 . 34330 1 547 . 1 1 49 49 ALA C C 13 177.653 0.000 . 1 . . . . A 100 ALA C . 34330 1 548 . 1 1 49 49 ALA CA C 13 52.786 0.012 . 1 . . . . A 100 ALA CA . 34330 1 549 . 1 1 49 49 ALA CB C 13 19.091 0.000 . 1 . . . . A 100 ALA CB . 34330 1 550 . 1 1 49 49 ALA N N 15 122.881 0.023 . 1 . . . . A 100 ALA N . 34330 1 551 . 1 1 50 50 ASN H H 1 8.368 0.004 . 1 . . . . A 101 ASN H . 34330 1 552 . 1 1 50 50 ASN HA H 1 4.744 0.019 . 1 . . . . A 101 ASN HA . 34330 1 553 . 1 1 50 50 ASN HB2 H 1 2.876 0.011 . 2 . . . . A 101 ASN HB2 . 34330 1 554 . 1 1 50 50 ASN HB3 H 1 2.828 0.010 . 2 . . . . A 101 ASN HB3 . 34330 1 555 . 1 1 50 50 ASN HD21 H 1 6.959 0.003 . 1 . . . . A 101 ASN HD21 . 34330 1 556 . 1 1 50 50 ASN HD22 H 1 7.415 0.002 . 1 . . . . A 101 ASN HD22 . 34330 1 557 . 1 1 50 50 ASN C C 13 175.493 0.005 . 1 . . . . A 101 ASN C . 34330 1 558 . 1 1 50 50 ASN CA C 13 53.252 0.031 . 1 . . . . A 101 ASN CA . 34330 1 559 . 1 1 50 50 ASN CB C 13 38.894 0.038 . 1 . . . . A 101 ASN CB . 34330 1 560 . 1 1 50 50 ASN N N 15 117.199 0.025 . 1 . . . . A 101 ASN N . 34330 1 561 . 1 1 50 50 ASN ND2 N 15 111.882 0.040 . 1 . . . . A 101 ASN ND2 . 34330 1 562 . 1 1 51 51 SER H H 1 8.301 0.003 . 1 . . . . A 102 SER H . 34330 1 563 . 1 1 51 51 SER HA H 1 4.472 0.017 . 1 . . . . A 102 SER HA . 34330 1 564 . 1 1 51 51 SER HB2 H 1 3.949 0.002 . 2 . . . . A 102 SER HB2 . 34330 1 565 . 1 1 51 51 SER HB3 H 1 3.879 0.003 . 2 . . . . A 102 SER HB3 . 34330 1 566 . 1 1 51 51 SER C C 13 174.825 0.001 . 1 . . . . A 102 SER C . 34330 1 567 . 1 1 51 51 SER CA C 13 58.711 0.054 . 1 . . . . A 102 SER CA . 34330 1 568 . 1 1 51 51 SER CB C 13 63.866 0.025 . 1 . . . . A 102 SER CB . 34330 1 569 . 1 1 51 51 SER N N 15 116.080 0.030 . 1 . . . . A 102 SER N . 34330 1 570 . 1 1 52 52 SER H H 1 8.377 0.003 . 1 . . . . A 103 SER H . 34330 1 571 . 1 1 52 52 SER HA H 1 4.485 0.003 . 1 . . . . A 103 SER HA . 34330 1 572 . 1 1 52 52 SER HB2 H 1 3.944 0.001 . 2 . . . . A 103 SER HB2 . 34330 1 573 . 1 1 52 52 SER HB3 H 1 3.876 0.005 . 2 . . . . A 103 SER HB3 . 34330 1 574 . 1 1 52 52 SER C C 13 175.106 0.006 . 1 . . . . A 103 SER C . 34330 1 575 . 1 1 52 52 SER CA C 13 58.641 0.000 . 1 . . . . A 103 SER CA . 34330 1 576 . 1 1 52 52 SER CB C 13 63.933 0.006 . 1 . . . . A 103 SER CB . 34330 1 577 . 1 1 52 52 SER N N 15 117.300 0.018 . 1 . . . . A 103 SER N . 34330 1 578 . 1 1 53 53 GLY H H 1 8.347 0.003 . 1 . . . . A 104 GLY H . 34330 1 579 . 1 1 53 53 GLY HA2 H 1 3.998 0.001 . 1 . . . . A 104 GLY HA2 . 34330 1 580 . 1 1 53 53 GLY HA3 H 1 3.998 0.001 . 1 . . . . A 104 GLY HA3 . 34330 1 581 . 1 1 53 53 GLY C C 13 174.085 0.006 . 1 . . . . A 104 GLY C . 34330 1 582 . 1 1 53 53 GLY CA C 13 45.524 0.009 . 1 . . . . A 104 GLY CA . 34330 1 583 . 1 1 53 53 GLY N N 15 110.674 0.027 . 1 . . . . A 104 GLY N . 34330 1 584 . 1 1 54 54 ASP H H 1 8.235 0.003 . 1 . . . . A 105 ASP H . 34330 1 585 . 1 1 54 54 ASP HA H 1 4.624 0.005 . 1 . . . . A 105 ASP HA . 34330 1 586 . 1 1 54 54 ASP HB2 H 1 2.684 0.002 . 1 . . . . A 105 ASP HB2 . 34330 1 587 . 1 1 54 54 ASP HB3 H 1 2.684 0.002 . 1 . . . . A 105 ASP HB3 . 34330 1 588 . 1 1 54 54 ASP C C 13 177.054 0.009 . 1 . . . . A 105 ASP C . 34330 1 589 . 1 1 54 54 ASP CA C 13 54.319 0.043 . 1 . . . . A 105 ASP CA . 34330 1 590 . 1 1 54 54 ASP CB C 13 41.289 0.039 . 1 . . . . A 105 ASP CB . 34330 1 591 . 1 1 54 54 ASP N N 15 120.415 0.029 . 1 . . . . A 105 ASP N . 34330 1 592 . 1 1 55 55 GLY H H 1 8.482 0.003 . 1 . . . . A 106 GLY H . 34330 1 593 . 1 1 55 55 GLY HA2 H 1 3.964 0.007 . 1 . . . . A 106 GLY HA2 . 34330 1 594 . 1 1 55 55 GLY HA3 H 1 3.964 0.007 . 1 . . . . A 106 GLY HA3 . 34330 1 595 . 1 1 55 55 GLY C C 13 175.038 0.000 . 1 . . . . A 106 GLY C . 34330 1 596 . 1 1 55 55 GLY CA C 13 45.709 0.005 . 1 . . . . A 106 GLY CA . 34330 1 597 . 1 1 55 55 GLY N N 15 109.751 0.019 . 1 . . . . A 106 GLY N . 34330 1 598 . 1 1 56 56 GLY H H 1 8.304 0.004 . 1 . . . . A 107 GLY H . 34330 1 599 . 1 1 56 56 GLY HA2 H 1 3.935 0.000 . 1 . . . . A 107 GLY HA2 . 34330 1 600 . 1 1 56 56 GLY HA3 H 1 3.935 0.000 . 1 . . . . A 107 GLY HA3 . 34330 1 601 . 1 1 56 56 GLY C C 13 174.120 0.004 . 1 . . . . A 107 GLY C . 34330 1 602 . 1 1 56 56 GLY CA C 13 45.319 0.035 . 1 . . . . A 107 GLY CA . 34330 1 603 . 1 1 56 56 GLY N N 15 108.849 0.046 . 1 . . . . A 107 GLY N . 34330 1 604 . 1 1 57 57 ALA H H 1 8.242 0.077 . 1 . . . . A 108 ALA H . 34330 1 605 . 1 1 57 57 ALA HA H 1 4.325 0.002 . 1 . . . . A 108 ALA HA . 34330 1 606 . 1 1 57 57 ALA HB1 H 1 1.383 0.003 . 1 . . . . A 108 ALA HB1 . 34330 1 607 . 1 1 57 57 ALA HB2 H 1 1.383 0.003 . 1 . . . . A 108 ALA HB2 . 34330 1 608 . 1 1 57 57 ALA HB3 H 1 1.383 0.003 . 1 . . . . A 108 ALA HB3 . 34330 1 609 . 1 1 57 57 ALA C C 13 177.681 0.000 . 1 . . . . A 108 ALA C . 34330 1 610 . 1 1 57 57 ALA CA C 13 52.507 0.034 . 1 . . . . A 108 ALA CA . 34330 1 611 . 1 1 57 57 ALA CB C 13 19.323 0.004 . 1 . . . . A 108 ALA CB . 34330 1 612 . 1 1 57 57 ALA N N 15 124.210 0.047 . 1 . . . . A 108 ALA N . 34330 1 613 . 1 1 58 58 ALA H H 1 8.297 0.007 . 1 . . . . A 109 ALA H . 34330 1 614 . 1 1 58 58 ALA HA H 1 4.293 0.002 . 1 . . . . A 109 ALA HA . 34330 1 615 . 1 1 58 58 ALA HB1 H 1 1.385 0.003 . 1 . . . . A 109 ALA HB1 . 34330 1 616 . 1 1 58 58 ALA HB2 H 1 1.385 0.003 . 1 . . . . A 109 ALA HB2 . 34330 1 617 . 1 1 58 58 ALA HB3 H 1 1.385 0.003 . 1 . . . . A 109 ALA HB3 . 34330 1 618 . 1 1 58 58 ALA C C 13 178.396 0.002 . 1 . . . . A 109 ALA C . 34330 1 619 . 1 1 58 58 ALA CA C 13 52.663 0.017 . 1 . . . . A 109 ALA CA . 34330 1 620 . 1 1 58 58 ALA CB C 13 19.258 0.044 . 1 . . . . A 109 ALA CB . 34330 1 621 . 1 1 58 58 ALA N N 15 122.836 0.075 . 1 . . . . A 109 ALA N . 34330 1 622 . 1 1 59 59 GLY H H 1 8.237 0.003 . 1 . . . . A 110 GLY H . 34330 1 623 . 1 1 59 59 GLY HA2 H 1 3.932 0.008 . 1 . . . . A 110 GLY HA2 . 34330 1 624 . 1 1 59 59 GLY HA3 H 1 3.932 0.008 . 1 . . . . A 110 GLY HA3 . 34330 1 625 . 1 1 59 59 GLY C C 13 174.107 0.000 . 1 . . . . A 110 GLY C . 34330 1 626 . 1 1 59 59 GLY CA C 13 45.434 0.000 . 1 . . . . A 110 GLY CA . 34330 1 627 . 1 1 59 59 GLY N N 15 107.882 0.025 . 1 . . . . A 110 GLY N . 34330 1 628 . 1 1 60 60 ASP H H 1 8.211 0.004 . 1 . . . . A 111 ASP H . 34330 1 629 . 1 1 60 60 ASP HA H 1 4.573 0.003 . 1 . . . . A 111 ASP HA . 34330 1 630 . 1 1 60 60 ASP HB2 H 1 2.606 0.012 . 2 . . . . A 111 ASP HB2 . 34330 1 631 . 1 1 60 60 ASP HB3 H 1 2.586 0.006 . 2 . . . . A 111 ASP HB3 . 34330 1 632 . 1 1 60 60 ASP C C 13 176.691 0.001 . 1 . . . . A 111 ASP C . 34330 1 633 . 1 1 60 60 ASP CA C 13 54.558 0.021 . 1 . . . . A 111 ASP CA . 34330 1 634 . 1 1 60 60 ASP CB C 13 41.231 0.067 . 1 . . . . A 111 ASP CB . 34330 1 635 . 1 1 60 60 ASP N N 15 120.515 0.015 . 1 . . . . A 111 ASP N . 34330 1 636 . 1 1 61 61 GLY H H 1 8.360 0.006 . 1 . . . . A 112 GLY H . 34330 1 637 . 1 1 61 61 GLY HA2 H 1 4.025 0.003 . 1 . . . . A 112 GLY HA2 . 34330 1 638 . 1 1 61 61 GLY HA3 H 1 4.025 0.003 . 1 . . . . A 112 GLY HA3 . 34330 1 639 . 1 1 61 61 GLY C C 13 174.198 0.005 . 1 . . . . A 112 GLY C . 34330 1 640 . 1 1 61 61 GLY CA C 13 45.373 0.012 . 1 . . . . A 112 GLY CA . 34330 1 641 . 1 1 61 61 GLY N N 15 108.438 0.023 . 1 . . . . A 112 GLY N . 34330 1 642 . 1 1 62 62 THR H H 1 8.097 0.004 . 1 . . . . A 113 THR H . 34330 1 643 . 1 1 62 62 THR HA H 1 4.551 0.002 . 1 . . . . A 113 THR HA . 34330 1 644 . 1 1 62 62 THR HB H 1 4.240 0.005 . 1 . . . . A 113 THR HB . 34330 1 645 . 1 1 62 62 THR HG21 H 1 1.194 0.004 . 1 . . . . A 113 THR HG21 . 34330 1 646 . 1 1 62 62 THR HG22 H 1 1.194 0.004 . 1 . . . . A 113 THR HG22 . 34330 1 647 . 1 1 62 62 THR HG23 H 1 1.194 0.004 . 1 . . . . A 113 THR HG23 . 34330 1 648 . 1 1 62 62 THR C C 13 174.574 0.005 . 1 . . . . A 113 THR C . 34330 1 649 . 1 1 62 62 THR CA C 13 62.242 0.101 . 1 . . . . A 113 THR CA . 34330 1 650 . 1 1 62 62 THR CB C 13 70.754 0.031 . 1 . . . . A 113 THR CB . 34330 1 651 . 1 1 62 62 THR CG2 C 13 21.979 0.056 . 1 . . . . A 113 THR CG2 . 34330 1 652 . 1 1 62 62 THR N N 15 113.042 0.032 . 1 . . . . A 113 THR N . 34330 1 653 . 1 1 63 63 VAL H H 1 8.601 0.004 . 1 . . . . A 114 VAL H . 34330 1 654 . 1 1 63 63 VAL HA H 1 4.877 0.008 . 1 . . . . A 114 VAL HA . 34330 1 655 . 1 1 63 63 VAL HB H 1 1.836 0.003 . 1 . . . . A 114 VAL HB . 34330 1 656 . 1 1 63 63 VAL HG11 H 1 0.774 0.005 . 2 . . . . A 114 VAL HG11 . 34330 1 657 . 1 1 63 63 VAL HG12 H 1 0.774 0.005 . 2 . . . . A 114 VAL HG12 . 34330 1 658 . 1 1 63 63 VAL HG13 H 1 0.774 0.005 . 2 . . . . A 114 VAL HG13 . 34330 1 659 . 1 1 63 63 VAL HG21 H 1 0.648 0.001 . 2 . . . . A 114 VAL HG21 . 34330 1 660 . 1 1 63 63 VAL HG22 H 1 0.648 0.001 . 2 . . . . A 114 VAL HG22 . 34330 1 661 . 1 1 63 63 VAL HG23 H 1 0.648 0.001 . 2 . . . . A 114 VAL HG23 . 34330 1 662 . 1 1 63 63 VAL C C 13 175.100 0.000 . 1 . . . . A 114 VAL C . 34330 1 663 . 1 1 63 63 VAL CA C 13 60.941 0.008 . 1 . . . . A 114 VAL CA . 34330 1 664 . 1 1 63 63 VAL CB C 13 34.599 0.054 . 1 . . . . A 114 VAL CB . 34330 1 665 . 1 1 63 63 VAL CG1 C 13 20.173 0.036 . 2 . . . . A 114 VAL CG1 . 34330 1 666 . 1 1 63 63 VAL CG2 C 13 21.785 0.061 . 2 . . . . A 114 VAL CG2 . 34330 1 667 . 1 1 63 63 VAL N N 15 120.731 0.047 . 1 . . . . A 114 VAL N . 34330 1 668 . 1 1 64 64 VAL H H 1 8.987 0.008 . 1 . . . . A 115 VAL H . 34330 1 669 . 1 1 64 64 VAL HA H 1 4.251 0.003 . 1 . . . . A 115 VAL HA . 34330 1 670 . 1 1 64 64 VAL HB H 1 1.899 0.005 . 1 . . . . A 115 VAL HB . 34330 1 671 . 1 1 64 64 VAL HG11 H 1 0.784 0.000 . 2 . . . . A 115 VAL HG11 . 34330 1 672 . 1 1 64 64 VAL HG12 H 1 0.784 0.000 . 2 . . . . A 115 VAL HG12 . 34330 1 673 . 1 1 64 64 VAL HG13 H 1 0.784 0.000 . 2 . . . . A 115 VAL HG13 . 34330 1 674 . 1 1 64 64 VAL HG21 H 1 0.776 0.000 . 2 . . . . A 115 VAL HG21 . 34330 1 675 . 1 1 64 64 VAL HG22 H 1 0.776 0.000 . 2 . . . . A 115 VAL HG22 . 34330 1 676 . 1 1 64 64 VAL HG23 H 1 0.776 0.000 . 2 . . . . A 115 VAL HG23 . 34330 1 677 . 1 1 64 64 VAL C C 13 173.661 0.005 . 1 . . . . A 115 VAL C . 34330 1 678 . 1 1 64 64 VAL CA C 13 60.792 0.035 . 1 . . . . A 115 VAL CA . 34330 1 679 . 1 1 64 64 VAL CB C 13 35.580 0.037 . 1 . . . . A 115 VAL CB . 34330 1 680 . 1 1 64 64 VAL CG1 C 13 21.091 0.000 . 2 . . . . A 115 VAL CG1 . 34330 1 681 . 1 1 64 64 VAL CG2 C 13 21.169 0.000 . 2 . . . . A 115 VAL CG2 . 34330 1 682 . 1 1 64 64 VAL N N 15 124.388 0.039 . 1 . . . . A 115 VAL N . 34330 1 683 . 1 1 65 65 ASP H H 1 8.313 0.003 . 1 . . . . A 116 ASP H . 34330 1 684 . 1 1 65 65 ASP HA H 1 4.778 0.008 . 1 . . . . A 116 ASP HA . 34330 1 685 . 1 1 65 65 ASP HB2 H 1 2.408 0.005 . 2 . . . . A 116 ASP HB2 . 34330 1 686 . 1 1 65 65 ASP HB3 H 1 2.144 0.005 . 2 . . . . A 116 ASP HB3 . 34330 1 687 . 1 1 65 65 ASP C C 13 175.211 0.000 . 1 . . . . A 116 ASP C . 34330 1 688 . 1 1 65 65 ASP CA C 13 53.069 0.026 . 1 . . . . A 116 ASP CA . 34330 1 689 . 1 1 65 65 ASP CB C 13 41.608 0.034 . 1 . . . . A 116 ASP CB . 34330 1 690 . 1 1 65 65 ASP N N 15 124.348 0.035 . 1 . . . . A 116 ASP N . 34330 1 691 . 1 1 66 66 CYS H H 1 8.313 0.004 . 1 . . . . A 117 CYS H . 34330 1 692 . 1 1 66 66 CYS HA H 1 4.315 0.004 . 1 . . . . A 117 CYS HA . 34330 1 693 . 1 1 66 66 CYS HB2 H 1 2.939 0.007 . 2 . . . . A 117 CYS HB2 . 34330 1 694 . 1 1 66 66 CYS HB3 H 1 3.135 0.006 . 2 . . . . A 117 CYS HB3 . 34330 1 695 . 1 1 66 66 CYS C C 13 176.447 0.000 . 1 . . . . A 117 CYS C . 34330 1 696 . 1 1 66 66 CYS CA C 13 56.594 0.050 . 1 . . . . A 117 CYS CA . 34330 1 697 . 1 1 66 66 CYS CB C 13 31.330 0.041 . 1 . . . . A 117 CYS CB . 34330 1 698 . 1 1 66 66 CYS N N 15 125.640 0.029 . 1 . . . . A 117 CYS N . 34330 1 699 . 1 1 67 67 PRO HA H 1 4.417 0.002 . 1 . . . . A 118 PRO HA . 34330 1 700 . 1 1 67 67 PRO HB2 H 1 1.988 0.000 . 2 . . . . A 118 PRO HB2 . 34330 1 701 . 1 1 67 67 PRO HB3 H 1 1.891 0.000 . 2 . . . . A 118 PRO HB3 . 34330 1 702 . 1 1 67 67 PRO HG2 H 1 1.706 0.002 . 2 . . . . A 118 PRO HG2 . 34330 1 703 . 1 1 67 67 PRO HG3 H 1 2.020 0.000 . 2 . . . . A 118 PRO HG3 . 34330 1 704 . 1 1 67 67 PRO HD2 H 1 3.796 0.000 . 2 . . . . A 118 PRO HD2 . 34330 1 705 . 1 1 67 67 PRO HD3 H 1 3.634 0.000 . 2 . . . . A 118 PRO HD3 . 34330 1 706 . 1 1 67 67 PRO C C 13 176.713 0.000 . 1 . . . . A 118 PRO C . 34330 1 707 . 1 1 67 67 PRO CA C 13 63.912 0.076 . 1 . . . . A 118 PRO CA . 34330 1 708 . 1 1 67 67 PRO CB C 13 32.331 0.012 . 1 . . . . A 118 PRO CB . 34330 1 709 . 1 1 67 67 PRO CG C 13 27.118 0.008 . 1 . . . . A 118 PRO CG . 34330 1 710 . 1 1 67 67 PRO CD C 13 50.167 0.017 . 1 . . . . A 118 PRO CD . 34330 1 711 . 1 1 68 68 VAL H H 1 9.294 0.007 . 1 . . . . A 119 VAL H . 34330 1 712 . 1 1 68 68 VAL HA H 1 3.749 0.002 . 1 . . . . A 119 VAL HA . 34330 1 713 . 1 1 68 68 VAL HB H 1 1.294 0.015 . 1 . . . . A 119 VAL HB . 34330 1 714 . 1 1 68 68 VAL HG11 H 1 0.321 0.003 . 2 . . . . A 119 VAL HG11 . 34330 1 715 . 1 1 68 68 VAL HG12 H 1 0.321 0.003 . 2 . . . . A 119 VAL HG12 . 34330 1 716 . 1 1 68 68 VAL HG13 H 1 0.321 0.003 . 2 . . . . A 119 VAL HG13 . 34330 1 717 . 1 1 68 68 VAL HG21 H 1 0.765 0.003 . 2 . . . . A 119 VAL HG21 . 34330 1 718 . 1 1 68 68 VAL HG22 H 1 0.765 0.003 . 2 . . . . A 119 VAL HG22 . 34330 1 719 . 1 1 68 68 VAL HG23 H 1 0.765 0.003 . 2 . . . . A 119 VAL HG23 . 34330 1 720 . 1 1 68 68 VAL C C 13 177.027 0.000 . 1 . . . . A 119 VAL C . 34330 1 721 . 1 1 68 68 VAL CA C 13 65.032 0.086 . 1 . . . . A 119 VAL CA . 34330 1 722 . 1 1 68 68 VAL CB C 13 32.791 0.063 . 1 . . . . A 119 VAL CB . 34330 1 723 . 1 1 68 68 VAL CG1 C 13 19.592 0.070 . 2 . . . . A 119 VAL CG1 . 34330 1 724 . 1 1 68 68 VAL CG2 C 13 21.371 0.050 . 2 . . . . A 119 VAL CG2 . 34330 1 725 . 1 1 68 68 VAL N N 15 122.852 0.027 . 1 . . . . A 119 VAL N . 34330 1 726 . 1 1 69 69 CYS H H 1 7.440 0.003 . 1 . . . . A 120 CYS H . 34330 1 727 . 1 1 69 69 CYS HA H 1 4.304 0.000 . 1 . . . . A 120 CYS HA . 34330 1 728 . 1 1 69 69 CYS HB2 H 1 2.951 0.000 . 2 . . . . A 120 CYS HB2 . 34330 1 729 . 1 1 69 69 CYS HB3 H 1 2.611 0.000 . 2 . . . . A 120 CYS HB3 . 34330 1 730 . 1 1 69 69 CYS C C 13 176.202 0.000 . 1 . . . . A 120 CYS C . 34330 1 731 . 1 1 69 69 CYS CA C 13 58.436 0.000 . 1 . . . . A 120 CYS CA . 34330 1 732 . 1 1 69 69 CYS CB C 13 29.980 0.000 . 1 . . . . A 120 CYS CB . 34330 1 733 . 1 1 69 69 CYS N N 15 114.553 0.030 . 1 . . . . A 120 CYS N . 34330 1 734 . 1 1 70 70 LYS H H 1 7.903 0.006 . 1 . . . . A 121 LYS H . 34330 1 735 . 1 1 70 70 LYS HA H 1 4.099 0.004 . 1 . . . . A 121 LYS HA . 34330 1 736 . 1 1 70 70 LYS HB2 H 1 2.155 0.004 . 2 . . . . A 121 LYS HB2 . 34330 1 737 . 1 1 70 70 LYS HB3 H 1 2.011 0.004 . 2 . . . . A 121 LYS HB3 . 34330 1 738 . 1 1 70 70 LYS HG2 H 1 1.353 0.013 . 2 . . . . A 121 LYS HG2 . 34330 1 739 . 1 1 70 70 LYS HG3 H 1 1.255 0.003 . 2 . . . . A 121 LYS HG3 . 34330 1 740 . 1 1 70 70 LYS HD2 H 1 1.628 0.002 . 2 . . . . A 121 LYS HD2 . 34330 1 741 . 1 1 70 70 LYS HD3 H 1 1.578 0.001 . 2 . . . . A 121 LYS HD3 . 34330 1 742 . 1 1 70 70 LYS HE2 H 1 2.913 0.005 . 2 . . . . A 121 LYS HE2 . 34330 1 743 . 1 1 70 70 LYS HE3 H 1 2.815 0.002 . 2 . . . . A 121 LYS HE3 . 34330 1 744 . 1 1 70 70 LYS C C 13 175.459 0.000 . 1 . . . . A 121 LYS C . 34330 1 745 . 1 1 70 70 LYS CA C 13 58.104 0.076 . 1 . . . . A 121 LYS CA . 34330 1 746 . 1 1 70 70 LYS CB C 13 29.314 0.059 . 1 . . . . A 121 LYS CB . 34330 1 747 . 1 1 70 70 LYS CG C 13 25.199 0.033 . 1 . . . . A 121 LYS CG . 34330 1 748 . 1 1 70 70 LYS CD C 13 29.056 0.071 . 1 . . . . A 121 LYS CD . 34330 1 749 . 1 1 70 70 LYS CE C 13 42.331 0.017 . 1 . . . . A 121 LYS CE . 34330 1 750 . 1 1 70 70 LYS N N 15 117.474 0.025 . 1 . . . . A 121 LYS N . 34330 1 751 . 1 1 71 71 GLN H H 1 8.389 0.003 . 1 . . . . A 122 GLN H . 34330 1 752 . 1 1 71 71 GLN HA H 1 4.758 0.004 . 1 . . . . A 122 GLN HA . 34330 1 753 . 1 1 71 71 GLN HB2 H 1 1.940 0.000 . 1 . . . . A 122 GLN HB2 . 34330 1 754 . 1 1 71 71 GLN HB3 H 1 1.940 0.000 . 1 . . . . A 122 GLN HB3 . 34330 1 755 . 1 1 71 71 GLN HG2 H 1 2.136 0.000 . 1 . . . . A 122 GLN HG2 . 34330 1 756 . 1 1 71 71 GLN HG3 H 1 2.136 0.000 . 1 . . . . A 122 GLN HG3 . 34330 1 757 . 1 1 71 71 GLN HE21 H 1 7.624 0.010 . 1 . . . . A 122 GLN HE21 . 34330 1 758 . 1 1 71 71 GLN HE22 H 1 6.959 0.002 . 1 . . . . A 122 GLN HE22 . 34330 1 759 . 1 1 71 71 GLN CA C 13 53.816 0.000 . 1 . . . . A 122 GLN CA . 34330 1 760 . 1 1 71 71 GLN CB C 13 28.012 0.000 . 1 . . . . A 122 GLN CB . 34330 1 761 . 1 1 71 71 GLN CG C 13 34.817 0.000 . 1 . . . . A 122 GLN CG . 34330 1 762 . 1 1 71 71 GLN N N 15 124.561 0.018 . 1 . . . . A 122 GLN N . 34330 1 763 . 1 1 71 71 GLN NE2 N 15 112.978 0.046 . 1 . . . . A 122 GLN NE2 . 34330 1 764 . 1 1 72 72 GLN H H 1 8.348 0.013 . 1 . . . . A 123 GLN H . 34330 1 765 . 1 1 72 72 GLN HA H 1 4.260 0.001 . 1 . . . . A 123 GLN HA . 34330 1 766 . 1 1 72 72 GLN HB2 H 1 2.132 0.011 . 1 . . . . A 123 GLN HB2 . 34330 1 767 . 1 1 72 72 GLN HB3 H 1 2.132 0.011 . 1 . . . . A 123 GLN HB3 . 34330 1 768 . 1 1 72 72 GLN HG2 H 1 2.308 0.001 . 2 . . . . A 123 GLN HG2 . 34330 1 769 . 1 1 72 72 GLN HG3 H 1 2.309 0.000 . 2 . . . . A 123 GLN HG3 . 34330 1 770 . 1 1 72 72 GLN HE21 H 1 8.150 0.005 . 1 . . . . A 123 GLN HE21 . 34330 1 771 . 1 1 72 72 GLN HE22 H 1 6.687 0.004 . 1 . . . . A 123 GLN HE22 . 34330 1 772 . 1 1 72 72 GLN C C 13 179.152 0.000 . 1 . . . . A 123 GLN C . 34330 1 773 . 1 1 72 72 GLN CA C 13 54.052 0.020 . 1 . . . . A 123 GLN CA . 34330 1 774 . 1 1 72 72 GLN CB C 13 29.825 0.000 . 1 . . . . A 123 GLN CB . 34330 1 775 . 1 1 72 72 GLN CG C 13 34.933 0.000 . 1 . . . . A 123 GLN CG . 34330 1 776 . 1 1 72 72 GLN N N 15 124.156 0.184 . 1 . . . . A 123 GLN N . 34330 1 777 . 1 1 72 72 GLN NE2 N 15 113.707 0.069 . 1 . . . . A 123 GLN NE2 . 34330 1 778 . 1 1 73 73 CYS H H 1 7.456 0.003 . 1 . . . . A 124 CYS H . 34330 1 779 . 1 1 73 73 CYS HA H 1 4.110 0.000 . 1 . . . . A 124 CYS HA . 34330 1 780 . 1 1 73 73 CYS HB2 H 1 2.883 0.000 . 2 . . . . A 124 CYS HB2 . 34330 1 781 . 1 1 73 73 CYS HB3 H 1 2.963 0.000 . 2 . . . . A 124 CYS HB3 . 34330 1 782 . 1 1 73 73 CYS C C 13 175.291 0.000 . 1 . . . . A 124 CYS C . 34330 1 783 . 1 1 73 73 CYS CA C 13 62.189 0.000 . 1 . . . . A 124 CYS CA . 34330 1 784 . 1 1 73 73 CYS CB C 13 30.002 0.000 . 1 . . . . A 124 CYS CB . 34330 1 785 . 1 1 73 73 CYS N N 15 117.612 0.014 . 1 . . . . A 124 CYS N . 34330 1 786 . 1 1 74 74 PHE H H 1 7.307 0.019 . 1 . . . . A 125 PHE H . 34330 1 787 . 1 1 74 74 PHE HA H 1 5.184 0.001 . 1 . . . . A 125 PHE HA . 34330 1 788 . 1 1 74 74 PHE HB2 H 1 3.448 0.001 . 2 . . . . A 125 PHE HB2 . 34330 1 789 . 1 1 74 74 PHE HB3 H 1 2.962 0.000 . 2 . . . . A 125 PHE HB3 . 34330 1 790 . 1 1 74 74 PHE HD1 H 1 7.288 0.000 . 1 . . . . A 125 PHE HD1 . 34330 1 791 . 1 1 74 74 PHE HD2 H 1 7.288 0.000 . 1 . . . . A 125 PHE HD2 . 34330 1 792 . 1 1 74 74 PHE HE1 H 1 7.351 0.009 . 1 . . . . A 125 PHE HE1 . 34330 1 793 . 1 1 74 74 PHE HE2 H 1 7.351 0.009 . 1 . . . . A 125 PHE HE2 . 34330 1 794 . 1 1 74 74 PHE HZ H 1 7.219 0.000 . 1 . . . . A 125 PHE HZ . 34330 1 795 . 1 1 74 74 PHE C C 13 176.808 0.000 . 1 . . . . A 125 PHE C . 34330 1 796 . 1 1 74 74 PHE CA C 13 55.248 0.000 . 1 . . . . A 125 PHE CA . 34330 1 797 . 1 1 74 74 PHE CB C 13 39.303 0.031 . 1 . . . . A 125 PHE CB . 34330 1 798 . 1 1 74 74 PHE CD1 C 13 129.888 0.000 . 1 . . . . A 125 PHE CD1 . 34330 1 799 . 1 1 74 74 PHE CD2 C 13 129.888 0.000 . 1 . . . . A 125 PHE CD2 . 34330 1 800 . 1 1 74 74 PHE CE1 C 13 130.408 0.000 . 1 . . . . A 125 PHE CE1 . 34330 1 801 . 1 1 74 74 PHE CE2 C 13 130.408 0.000 . 1 . . . . A 125 PHE CE2 . 34330 1 802 . 1 1 74 74 PHE CZ C 13 129.776 0.000 . 1 . . . . A 125 PHE CZ . 34330 1 803 . 1 1 74 74 PHE N N 15 118.901 0.032 . 1 . . . . A 125 PHE N . 34330 1 804 . 1 1 75 75 SER H H 1 9.069 0.000 . 1 . . . . A 126 SER H . 34330 1 805 . 1 1 75 75 SER HA H 1 5.185 0.000 . 1 . . . . A 126 SER HA . 34330 1 806 . 1 1 75 75 SER HB2 H 1 3.913 0.000 . 2 . . . . A 126 SER HB2 . 34330 1 807 . 1 1 75 75 SER HB3 H 1 3.834 0.000 . 2 . . . . A 126 SER HB3 . 34330 1 808 . 1 1 75 75 SER C C 13 177.409 0.000 . 1 . . . . A 126 SER C . 34330 1 809 . 1 1 75 75 SER CA C 13 57.689 0.000 . 1 . . . . A 126 SER CA . 34330 1 810 . 1 1 75 75 SER CB C 13 62.473 0.013 . 1 . . . . A 126 SER CB . 34330 1 811 . 1 1 75 75 SER N N 15 120.255 0.000 . 1 . . . . A 126 SER N . 34330 1 812 . 1 1 76 76 LYS H H 1 8.250 0.004 . 1 . . . . A 127 LYS H . 34330 1 813 . 1 1 76 76 LYS HA H 1 4.296 0.007 . 1 . . . . A 127 LYS HA . 34330 1 814 . 1 1 76 76 LYS HB2 H 1 1.927 0.003 . 2 . . . . A 127 LYS HB2 . 34330 1 815 . 1 1 76 76 LYS HB3 H 1 1.847 0.007 . 2 . . . . A 127 LYS HB3 . 34330 1 816 . 1 1 76 76 LYS HG2 H 1 1.369 0.004 . 1 . . . . A 127 LYS HG2 . 34330 1 817 . 1 1 76 76 LYS HG3 H 1 1.369 0.004 . 1 . . . . A 127 LYS HG3 . 34330 1 818 . 1 1 76 76 LYS HD2 H 1 1.618 0.005 . 2 . . . . A 127 LYS HD2 . 34330 1 819 . 1 1 76 76 LYS HD3 H 1 1.590 0.002 . 2 . . . . A 127 LYS HD3 . 34330 1 820 . 1 1 76 76 LYS HE2 H 1 2.875 0.001 . 2 . . . . A 127 LYS HE2 . 34330 1 821 . 1 1 76 76 LYS HE3 H 1 2.811 0.000 . 2 . . . . A 127 LYS HE3 . 34330 1 822 . 1 1 76 76 LYS C C 13 176.152 0.001 . 1 . . . . A 127 LYS C . 34330 1 823 . 1 1 76 76 LYS CA C 13 57.761 0.062 . 1 . . . . A 127 LYS CA . 34330 1 824 . 1 1 76 76 LYS CB C 13 31.583 0.033 . 1 . . . . A 127 LYS CB . 34330 1 825 . 1 1 76 76 LYS CG C 13 23.943 0.062 . 1 . . . . A 127 LYS CG . 34330 1 826 . 1 1 76 76 LYS CD C 13 28.923 0.004 . 1 . . . . A 127 LYS CD . 34330 1 827 . 1 1 76 76 LYS CE C 13 42.244 0.018 . 1 . . . . A 127 LYS CE . 34330 1 828 . 1 1 76 76 LYS N N 15 118.342 0.045 . 1 . . . . A 127 LYS N . 34330 1 829 . 1 1 77 77 ASP H H 1 7.978 0.004 . 1 . . . . A 128 ASP H . 34330 1 830 . 1 1 77 77 ASP HA H 1 4.801 0.006 . 1 . . . . A 128 ASP HA . 34330 1 831 . 1 1 77 77 ASP HB2 H 1 2.951 0.002 . 2 . . . . A 128 ASP HB2 . 34330 1 832 . 1 1 77 77 ASP HB3 H 1 2.863 0.002 . 2 . . . . A 128 ASP HB3 . 34330 1 833 . 1 1 77 77 ASP C C 13 175.939 0.000 . 1 . . . . A 128 ASP C . 34330 1 834 . 1 1 77 77 ASP CA C 13 54.882 0.030 . 1 . . . . A 128 ASP CA . 34330 1 835 . 1 1 77 77 ASP CB C 13 41.915 0.056 . 1 . . . . A 128 ASP CB . 34330 1 836 . 1 1 77 77 ASP N N 15 118.924 0.017 . 1 . . . . A 128 ASP N . 34330 1 837 . 1 1 78 78 ILE H H 1 7.526 0.004 . 1 . . . . A 129 ILE H . 34330 1 838 . 1 1 78 78 ILE HA H 1 3.994 0.003 . 1 . . . . A 129 ILE HA . 34330 1 839 . 1 1 78 78 ILE HB H 1 2.016 0.003 . 1 . . . . A 129 ILE HB . 34330 1 840 . 1 1 78 78 ILE HG12 H 1 0.887 0.000 . 1 . . . . A 129 ILE HG12 . 34330 1 841 . 1 1 78 78 ILE HG13 H 1 0.887 0.000 . 1 . . . . A 129 ILE HG13 . 34330 1 842 . 1 1 78 78 ILE HG21 H 1 0.827 0.004 . 1 . . . . A 129 ILE HG21 . 34330 1 843 . 1 1 78 78 ILE HG22 H 1 0.827 0.004 . 1 . . . . A 129 ILE HG22 . 34330 1 844 . 1 1 78 78 ILE HG23 H 1 0.827 0.004 . 1 . . . . A 129 ILE HG23 . 34330 1 845 . 1 1 78 78 ILE HD11 H 1 0.820 0.006 . 1 . . . . A 129 ILE HD11 . 34330 1 846 . 1 1 78 78 ILE HD12 H 1 0.820 0.006 . 1 . . . . A 129 ILE HD12 . 34330 1 847 . 1 1 78 78 ILE HD13 H 1 0.820 0.006 . 1 . . . . A 129 ILE HD13 . 34330 1 848 . 1 1 78 78 ILE C C 13 175.568 0.000 . 1 . . . . A 129 ILE C . 34330 1 849 . 1 1 78 78 ILE CA C 13 62.881 0.078 . 1 . . . . A 129 ILE CA . 34330 1 850 . 1 1 78 78 ILE CB C 13 38.164 0.054 . 1 . . . . A 129 ILE CB . 34330 1 851 . 1 1 78 78 ILE CG1 C 13 25.457 0.000 . 1 . . . . A 129 ILE CG1 . 34330 1 852 . 1 1 78 78 ILE CG2 C 13 18.094 0.065 . 1 . . . . A 129 ILE CG2 . 34330 1 853 . 1 1 78 78 ILE CD1 C 13 13.778 0.061 . 1 . . . . A 129 ILE CD1 . 34330 1 854 . 1 1 78 78 ILE N N 15 122.295 0.019 . 1 . . . . A 129 ILE N . 34330 1 855 . 1 1 79 79 VAL H H 1 8.280 0.003 . 1 . . . . A 130 VAL H . 34330 1 856 . 1 1 79 79 VAL HA H 1 4.440 0.004 . 1 . . . . A 130 VAL HA . 34330 1 857 . 1 1 79 79 VAL HB H 1 2.169 0.005 . 1 . . . . A 130 VAL HB . 34330 1 858 . 1 1 79 79 VAL HG11 H 1 0.943 0.009 . 1 . . . . A 130 VAL HG11 . 34330 1 859 . 1 1 79 79 VAL HG12 H 1 0.943 0.009 . 1 . . . . A 130 VAL HG12 . 34330 1 860 . 1 1 79 79 VAL HG13 H 1 0.943 0.009 . 1 . . . . A 130 VAL HG13 . 34330 1 861 . 1 1 79 79 VAL HG21 H 1 0.943 0.009 . 1 . . . . A 130 VAL HG21 . 34330 1 862 . 1 1 79 79 VAL HG22 H 1 0.943 0.009 . 1 . . . . A 130 VAL HG22 . 34330 1 863 . 1 1 79 79 VAL HG23 H 1 0.943 0.009 . 1 . . . . A 130 VAL HG23 . 34330 1 864 . 1 1 79 79 VAL C C 13 175.551 0.002 . 1 . . . . A 130 VAL C . 34330 1 865 . 1 1 79 79 VAL CA C 13 61.278 0.061 . 1 . . . . A 130 VAL CA . 34330 1 866 . 1 1 79 79 VAL CB C 13 34.252 0.059 . 1 . . . . A 130 VAL CB . 34330 1 867 . 1 1 79 79 VAL CG1 C 13 20.374 0.062 . 2 . . . . A 130 VAL CG1 . 34330 1 868 . 1 1 79 79 VAL CG2 C 13 20.441 0.000 . 2 . . . . A 130 VAL CG2 . 34330 1 869 . 1 1 79 79 VAL N N 15 125.223 0.046 . 1 . . . . A 130 VAL N . 34330 1 870 . 1 1 80 80 GLU H H 1 8.666 0.004 . 1 . . . . A 131 GLU H . 34330 1 871 . 1 1 80 80 GLU HA H 1 4.442 0.005 . 1 . . . . A 131 GLU HA . 34330 1 872 . 1 1 80 80 GLU HB2 H 1 1.934 0.008 . 2 . . . . A 131 GLU HB2 . 34330 1 873 . 1 1 80 80 GLU HB3 H 1 1.915 0.012 . 2 . . . . A 131 GLU HB3 . 34330 1 874 . 1 1 80 80 GLU HG2 H 1 2.125 0.003 . 2 . . . . A 131 GLU HG2 . 34330 1 875 . 1 1 80 80 GLU HG3 H 1 2.273 0.003 . 2 . . . . A 131 GLU HG3 . 34330 1 876 . 1 1 80 80 GLU C C 13 175.872 0.002 . 1 . . . . A 131 GLU C . 34330 1 877 . 1 1 80 80 GLU CA C 13 56.335 0.011 . 1 . . . . A 131 GLU CA . 34330 1 878 . 1 1 80 80 GLU CB C 13 30.485 0.005 . 1 . . . . A 131 GLU CB . 34330 1 879 . 1 1 80 80 GLU CG C 13 36.085 0.002 . 1 . . . . A 131 GLU CG . 34330 1 880 . 1 1 80 80 GLU N N 15 124.025 0.019 . 1 . . . . A 131 GLU N . 34330 1 881 . 1 1 81 81 ASN H H 1 8.232 0.005 . 1 . . . . A 132 ASN H . 34330 1 882 . 1 1 81 81 ASN HA H 1 4.541 0.004 . 1 . . . . A 132 ASN HA . 34330 1 883 . 1 1 81 81 ASN HB2 H 1 2.703 0.010 . 2 . . . . A 132 ASN HB2 . 34330 1 884 . 1 1 81 81 ASN HB3 H 1 2.493 0.008 . 2 . . . . A 132 ASN HB3 . 34330 1 885 . 1 1 81 81 ASN HD21 H 1 7.723 0.003 . 1 . . . . A 132 ASN HD21 . 34330 1 886 . 1 1 81 81 ASN HD22 H 1 6.942 0.007 . 1 . . . . A 132 ASN HD22 . 34330 1 887 . 1 1 81 81 ASN C C 13 174.553 0.000 . 1 . . . . A 132 ASN C . 34330 1 888 . 1 1 81 81 ASN CA C 13 53.191 0.060 . 1 . . . . A 132 ASN CA . 34330 1 889 . 1 1 81 81 ASN CB C 13 38.461 0.064 . 1 . . . . A 132 ASN CB . 34330 1 890 . 1 1 81 81 ASN N N 15 119.243 0.019 . 1 . . . . A 132 ASN N . 34330 1 891 . 1 1 81 81 ASN ND2 N 15 113.252 0.080 . 1 . . . . A 132 ASN ND2 . 34330 1 892 . 1 1 82 82 TYR H H 1 7.932 0.009 . 1 . . . . A 133 TYR H . 34330 1 893 . 1 1 82 82 TYR HA H 1 4.331 0.003 . 1 . . . . A 133 TYR HA . 34330 1 894 . 1 1 82 82 TYR HB2 H 1 2.849 0.011 . 2 . . . . A 133 TYR HB2 . 34330 1 895 . 1 1 82 82 TYR HB3 H 1 2.760 0.010 . 2 . . . . A 133 TYR HB3 . 34330 1 896 . 1 1 82 82 TYR HD1 H 1 6.788 0.005 . 1 . . . . A 133 TYR HD1 . 34330 1 897 . 1 1 82 82 TYR HD2 H 1 6.788 0.005 . 1 . . . . A 133 TYR HD2 . 34330 1 898 . 1 1 82 82 TYR HE1 H 1 6.663 0.001 . 1 . . . . A 133 TYR HE1 . 34330 1 899 . 1 1 82 82 TYR HE2 H 1 6.663 0.001 . 1 . . . . A 133 TYR HE2 . 34330 1 900 . 1 1 82 82 TYR C C 13 175.226 0.019 . 1 . . . . A 133 TYR C . 34330 1 901 . 1 1 82 82 TYR CA C 13 58.314 0.044 . 1 . . . . A 133 TYR CA . 34330 1 902 . 1 1 82 82 TYR CB C 13 38.706 0.067 . 1 . . . . A 133 TYR CB . 34330 1 903 . 1 1 82 82 TYR CD1 C 13 133.013 0.034 . 1 . . . . A 133 TYR CD1 . 34330 1 904 . 1 1 82 82 TYR CD2 C 13 133.013 0.034 . 1 . . . . A 133 TYR CD2 . 34330 1 905 . 1 1 82 82 TYR CE1 C 13 118.381 0.000 . 1 . . . . A 133 TYR CE1 . 34330 1 906 . 1 1 82 82 TYR CE2 C 13 118.381 0.000 . 1 . . . . A 133 TYR CE2 . 34330 1 907 . 1 1 82 82 TYR N N 15 120.131 0.035 . 1 . . . . A 133 TYR N . 34330 1 908 . 1 1 83 83 PHE H H 1 7.933 0.005 . 1 . . . . A 134 PHE H . 34330 1 909 . 1 1 83 83 PHE HA H 1 4.423 0.003 . 1 . . . . A 134 PHE HA . 34330 1 910 . 1 1 83 83 PHE HB2 H 1 3.048 0.003 . 2 . . . . A 134 PHE HB2 . 34330 1 911 . 1 1 83 83 PHE HB3 H 1 2.943 0.007 . 2 . . . . A 134 PHE HB3 . 34330 1 912 . 1 1 83 83 PHE HD1 H 1 7.152 0.005 . 1 . . . . A 134 PHE HD1 . 34330 1 913 . 1 1 83 83 PHE HD2 H 1 7.152 0.005 . 1 . . . . A 134 PHE HD2 . 34330 1 914 . 1 1 83 83 PHE HE1 H 1 7.344 0.004 . 1 . . . . A 134 PHE HE1 . 34330 1 915 . 1 1 83 83 PHE HE2 H 1 7.344 0.004 . 1 . . . . A 134 PHE HE2 . 34330 1 916 . 1 1 83 83 PHE HZ H 1 7.180 0.000 . 1 . . . . A 134 PHE HZ . 34330 1 917 . 1 1 83 83 PHE C C 13 175.325 0.018 . 1 . . . . A 134 PHE C . 34330 1 918 . 1 1 83 83 PHE CA C 13 58.138 0.036 . 1 . . . . A 134 PHE CA . 34330 1 919 . 1 1 83 83 PHE CB C 13 39.222 0.037 . 1 . . . . A 134 PHE CB . 34330 1 920 . 1 1 83 83 PHE CD1 C 13 131.958 0.000 . 1 . . . . A 134 PHE CD1 . 34330 1 921 . 1 1 83 83 PHE CD2 C 13 131.958 0.000 . 1 . . . . A 134 PHE CD2 . 34330 1 922 . 1 1 83 83 PHE CE1 C 13 131.700 0.000 . 1 . . . . A 134 PHE CE1 . 34330 1 923 . 1 1 83 83 PHE CE2 C 13 131.700 0.000 . 1 . . . . A 134 PHE CE2 . 34330 1 924 . 1 1 83 83 PHE CZ C 13 133.470 0.000 . 1 . . . . A 134 PHE CZ . 34330 1 925 . 1 1 83 83 PHE N N 15 120.051 0.076 . 1 . . . . A 134 PHE N . 34330 1 926 . 1 1 84 84 MET H H 1 7.971 0.004 . 1 . . . . A 135 MET H . 34330 1 927 . 1 1 84 84 MET HA H 1 4.379 0.005 . 1 . . . . A 135 MET HA . 34330 1 928 . 1 1 84 84 MET HB2 H 1 1.900 0.010 . 2 . . . . A 135 MET HB2 . 34330 1 929 . 1 1 84 84 MET HB3 H 1 2.043 0.002 . 2 . . . . A 135 MET HB3 . 34330 1 930 . 1 1 84 84 MET HG2 H 1 2.387 0.011 . 2 . . . . A 135 MET HG2 . 34330 1 931 . 1 1 84 84 MET HG3 H 1 2.450 0.011 . 2 . . . . A 135 MET HG3 . 34330 1 932 . 1 1 84 84 MET HE1 H 1 2.048 0.002 . 1 . . . . A 135 MET HE1 . 34330 1 933 . 1 1 84 84 MET HE2 H 1 2.048 0.002 . 1 . . . . A 135 MET HE2 . 34330 1 934 . 1 1 84 84 MET HE3 H 1 2.048 0.002 . 1 . . . . A 135 MET HE3 . 34330 1 935 . 1 1 84 84 MET C C 13 175.814 0.004 . 1 . . . . A 135 MET C . 34330 1 936 . 1 1 84 84 MET CA C 13 55.374 0.020 . 1 . . . . A 135 MET CA . 34330 1 937 . 1 1 84 84 MET CB C 13 32.647 0.063 . 1 . . . . A 135 MET CB . 34330 1 938 . 1 1 84 84 MET CG C 13 32.072 0.050 . 1 . . . . A 135 MET CG . 34330 1 939 . 1 1 84 84 MET CE C 13 17.044 0.020 . 1 . . . . A 135 MET CE . 34330 1 940 . 1 1 84 84 MET N N 15 120.622 0.033 . 1 . . . . A 135 MET N . 34330 1 941 . 1 1 85 85 ARG H H 1 8.138 0.007 . 1 . . . . A 136 ARG H . 34330 1 942 . 1 1 85 85 ARG HA H 1 4.265 0.003 . 1 . . . . A 136 ARG HA . 34330 1 943 . 1 1 85 85 ARG HB2 H 1 1.743 0.005 . 2 . . . . A 136 ARG HB2 . 34330 1 944 . 1 1 85 85 ARG HB3 H 1 1.819 0.003 . 2 . . . . A 136 ARG HB3 . 34330 1 945 . 1 1 85 85 ARG HG2 H 1 1.599 0.005 . 2 . . . . A 136 ARG HG2 . 34330 1 946 . 1 1 85 85 ARG HG3 H 1 1.715 0.001 . 2 . . . . A 136 ARG HG3 . 34330 1 947 . 1 1 85 85 ARG HD2 H 1 3.145 0.004 . 2 . . . . A 136 ARG HD2 . 34330 1 948 . 1 1 85 85 ARG HD3 H 1 3.097 0.000 . 2 . . . . A 136 ARG HD3 . 34330 1 949 . 1 1 85 85 ARG C C 13 175.977 0.002 . 1 . . . . A 136 ARG C . 34330 1 950 . 1 1 85 85 ARG CA C 13 56.321 0.044 . 1 . . . . A 136 ARG CA . 34330 1 951 . 1 1 85 85 ARG CB C 13 30.946 0.031 . 1 . . . . A 136 ARG CB . 34330 1 952 . 1 1 85 85 ARG CG C 13 27.041 0.001 . 1 . . . . A 136 ARG CG . 34330 1 953 . 1 1 85 85 ARG CD C 13 43.438 0.001 . 1 . . . . A 136 ARG CD . 34330 1 954 . 1 1 85 85 ARG N N 15 121.921 0.021 . 1 . . . . A 136 ARG N . 34330 1 955 . 1 1 86 86 ASP H H 1 8.414 0.006 . 1 . . . . A 137 ASP H . 34330 1 956 . 1 1 86 86 ASP HA H 1 4.645 0.009 . 1 . . . . A 137 ASP HA . 34330 1 957 . 1 1 86 86 ASP HB2 H 1 2.728 0.002 . 2 . . . . A 137 ASP HB2 . 34330 1 958 . 1 1 86 86 ASP HB3 H 1 2.657 0.005 . 2 . . . . A 137 ASP HB3 . 34330 1 959 . 1 1 86 86 ASP C C 13 176.476 0.001 . 1 . . . . A 137 ASP C . 34330 1 960 . 1 1 86 86 ASP CA C 13 54.282 0.026 . 1 . . . . A 137 ASP CA . 34330 1 961 . 1 1 86 86 ASP CB C 13 41.368 0.018 . 1 . . . . A 137 ASP CB . 34330 1 962 . 1 1 86 86 ASP N N 15 121.317 0.028 . 1 . . . . A 137 ASP N . 34330 1 963 . 1 1 87 87 SER H H 1 8.360 0.004 . 1 . . . . A 138 SER H . 34330 1 964 . 1 1 87 87 SER HA H 1 4.389 0.006 . 1 . . . . A 138 SER HA . 34330 1 965 . 1 1 87 87 SER HB2 H 1 3.862 0.003 . 2 . . . . A 138 SER HB2 . 34330 1 966 . 1 1 87 87 SER HB3 H 1 3.945 0.012 . 2 . . . . A 138 SER HB3 . 34330 1 967 . 1 1 87 87 SER C C 13 175.343 0.005 . 1 . . . . A 138 SER C . 34330 1 968 . 1 1 87 87 SER CA C 13 58.927 0.053 . 1 . . . . A 138 SER CA . 34330 1 969 . 1 1 87 87 SER CB C 13 63.848 0.060 . 1 . . . . A 138 SER CB . 34330 1 970 . 1 1 87 87 SER N N 15 117.034 0.039 . 1 . . . . A 138 SER N . 34330 1 971 . 1 1 88 88 GLY H H 1 8.516 0.004 . 1 . . . . A 139 GLY H . 34330 1 972 . 1 1 88 88 GLY HA2 H 1 3.986 0.004 . 1 . . . . A 139 GLY HA2 . 34330 1 973 . 1 1 88 88 GLY HA3 H 1 3.986 0.004 . 1 . . . . A 139 GLY HA3 . 34330 1 974 . 1 1 88 88 GLY C C 13 174.347 0.002 . 1 . . . . A 139 GLY C . 34330 1 975 . 1 1 88 88 GLY CA C 13 45.514 0.010 . 1 . . . . A 139 GLY CA . 34330 1 976 . 1 1 88 88 GLY N N 15 110.817 0.029 . 1 . . . . A 139 GLY N . 34330 1 977 . 1 1 89 89 SER H H 1 8.137 0.003 . 1 . . . . A 140 SER H . 34330 1 978 . 1 1 89 89 SER HA H 1 4.438 0.009 . 1 . . . . A 140 SER HA . 34330 1 979 . 1 1 89 89 SER HB2 H 1 3.861 0.002 . 1 . . . . A 140 SER HB2 . 34330 1 980 . 1 1 89 89 SER HB3 H 1 3.861 0.002 . 1 . . . . A 140 SER HB3 . 34330 1 981 . 1 1 89 89 SER C C 13 174.570 0.000 . 1 . . . . A 140 SER C . 34330 1 982 . 1 1 89 89 SER CA C 13 58.424 0.040 . 1 . . . . A 140 SER CA . 34330 1 983 . 1 1 89 89 SER CB C 13 63.911 0.041 . 1 . . . . A 140 SER CB . 34330 1 984 . 1 1 89 89 SER N N 15 115.705 0.021 . 1 . . . . A 140 SER N . 34330 1 985 . 1 1 90 90 LYS H H 1 8.323 0.003 . 1 . . . . A 141 LYS H . 34330 1 986 . 1 1 90 90 LYS HA H 1 4.354 0.003 . 1 . . . . A 141 LYS HA . 34330 1 987 . 1 1 90 90 LYS HB2 H 1 1.756 0.010 . 2 . . . . A 141 LYS HB2 . 34330 1 988 . 1 1 90 90 LYS HB3 H 1 1.852 0.005 . 2 . . . . A 141 LYS HB3 . 34330 1 989 . 1 1 90 90 LYS HG2 H 1 1.437 0.001 . 1 . . . . A 141 LYS HG2 . 34330 1 990 . 1 1 90 90 LYS HG3 H 1 1.437 0.001 . 1 . . . . A 141 LYS HG3 . 34330 1 991 . 1 1 90 90 LYS HD2 H 1 1.667 0.000 . 1 . . . . A 141 LYS HD2 . 34330 1 992 . 1 1 90 90 LYS HD3 H 1 1.667 0.000 . 1 . . . . A 141 LYS HD3 . 34330 1 993 . 1 1 90 90 LYS HE2 H 1 2.990 0.000 . 1 . . . . A 141 LYS HE2 . 34330 1 994 . 1 1 90 90 LYS HE3 H 1 2.990 0.000 . 1 . . . . A 141 LYS HE3 . 34330 1 995 . 1 1 90 90 LYS C C 13 176.133 0.000 . 1 . . . . A 141 LYS C . 34330 1 996 . 1 1 90 90 LYS CA C 13 56.136 0.036 . 1 . . . . A 141 LYS CA . 34330 1 997 . 1 1 90 90 LYS CB C 13 33.109 0.032 . 1 . . . . A 141 LYS CB . 34330 1 998 . 1 1 90 90 LYS CG C 13 24.619 0.000 . 1 . . . . A 141 LYS CG . 34330 1 999 . 1 1 90 90 LYS CD C 13 29.087 0.000 . 1 . . . . A 141 LYS CD . 34330 1 1000 . 1 1 90 90 LYS CE C 13 42.213 0.000 . 1 . . . . A 141 LYS CE . 34330 1 1001 . 1 1 90 90 LYS N N 15 123.444 0.023 . 1 . . . . A 141 LYS N . 34330 1 1002 . 1 1 91 91 ALA H H 1 8.318 0.007 . 1 . . . . A 142 ALA H . 34330 1 1003 . 1 1 91 91 ALA HA H 1 4.305 0.002 . 1 . . . . A 142 ALA HA . 34330 1 1004 . 1 1 91 91 ALA HB1 H 1 1.384 0.002 . 1 . . . . A 142 ALA HB1 . 34330 1 1005 . 1 1 91 91 ALA HB2 H 1 1.384 0.002 . 1 . . . . A 142 ALA HB2 . 34330 1 1006 . 1 1 91 91 ALA HB3 H 1 1.384 0.002 . 1 . . . . A 142 ALA HB3 . 34330 1 1007 . 1 1 91 91 ALA C C 13 177.464 0.000 . 1 . . . . A 142 ALA C . 34330 1 1008 . 1 1 91 91 ALA CA C 13 52.296 0.034 . 1 . . . . A 142 ALA CA . 34330 1 1009 . 1 1 91 91 ALA CB C 13 19.403 0.001 . 1 . . . . A 142 ALA CB . 34330 1 1010 . 1 1 91 91 ALA N N 15 125.634 0.026 . 1 . . . . A 142 ALA N . 34330 1 1011 . 1 1 92 92 ALA H H 1 8.352 0.003 . 1 . . . . A 143 ALA H . 34330 1 1012 . 1 1 92 92 ALA HA H 1 4.378 0.002 . 1 . . . . A 143 ALA HA . 34330 1 1013 . 1 1 92 92 ALA HB1 H 1 1.433 0.004 . 1 . . . . A 143 ALA HB1 . 34330 1 1014 . 1 1 92 92 ALA HB2 H 1 1.433 0.004 . 1 . . . . A 143 ALA HB2 . 34330 1 1015 . 1 1 92 92 ALA HB3 H 1 1.433 0.004 . 1 . . . . A 143 ALA HB3 . 34330 1 1016 . 1 1 92 92 ALA C C 13 177.885 0.004 . 1 . . . . A 143 ALA C . 34330 1 1017 . 1 1 92 92 ALA CA C 13 52.616 0.024 . 1 . . . . A 143 ALA CA . 34330 1 1018 . 1 1 92 92 ALA CB C 13 19.466 0.092 . 1 . . . . A 143 ALA CB . 34330 1 1019 . 1 1 92 92 ALA N N 15 123.784 0.019 . 1 . . . . A 143 ALA N . 34330 1 1020 . 1 1 93 93 THR H H 1 8.063 0.003 . 1 . . . . A 144 THR H . 34330 1 1021 . 1 1 93 93 THR HA H 1 4.363 0.010 . 1 . . . . A 144 THR HA . 34330 1 1022 . 1 1 93 93 THR HB H 1 4.323 0.002 . 1 . . . . A 144 THR HB . 34330 1 1023 . 1 1 93 93 THR HG21 H 1 1.187 0.006 . 1 . . . . A 144 THR HG21 . 34330 1 1024 . 1 1 93 93 THR HG22 H 1 1.187 0.006 . 1 . . . . A 144 THR HG22 . 34330 1 1025 . 1 1 93 93 THR HG23 H 1 1.187 0.006 . 1 . . . . A 144 THR HG23 . 34330 1 1026 . 1 1 93 93 THR C C 13 173.653 0.000 . 1 . . . . A 144 THR C . 34330 1 1027 . 1 1 93 93 THR CA C 13 61.308 0.024 . 1 . . . . A 144 THR CA . 34330 1 1028 . 1 1 93 93 THR CB C 13 70.011 0.018 . 1 . . . . A 144 THR CB . 34330 1 1029 . 1 1 93 93 THR CG2 C 13 21.524 0.000 . 1 . . . . A 144 THR CG2 . 34330 1 1030 . 1 1 93 93 THR N N 15 111.999 0.024 . 1 . . . . A 144 THR N . 34330 1 1031 . 1 1 94 94 ASP H H 1 7.920 0.002 . 1 . . . . A 145 ASP H . 34330 1 1032 . 1 1 94 94 ASP HA H 1 4.414 0.004 . 1 . . . . A 145 ASP HA . 34330 1 1033 . 1 1 94 94 ASP HB2 H 1 2.573 0.003 . 2 . . . . A 145 ASP HB2 . 34330 1 1034 . 1 1 94 94 ASP HB3 H 1 2.686 0.000 . 2 . . . . A 145 ASP HB3 . 34330 1 1035 . 1 1 94 94 ASP C C 13 180.805 0.000 . 1 . . . . A 145 ASP C . 34330 1 1036 . 1 1 94 94 ASP CA C 13 55.968 0.000 . 1 . . . . A 145 ASP CA . 34330 1 1037 . 1 1 94 94 ASP CB C 13 42.241 0.011 . 1 . . . . A 145 ASP CB . 34330 1 1038 . 1 1 94 94 ASP N N 15 127.770 0.023 . 1 . . . . A 145 ASP N . 34330 1 stop_ save_