data_16402 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16402 _Entry.Title ; Solution structure of SCA7 zinc finger domain from human Ataxin-7-L3 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-07-10 _Entry.Accession_date 2009-07-10 _Entry.Last_release_date 2010-10-18 _Entry.Original_release_date 2010-10-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ying-Hui Wang . . . 16402 2 Andrew Atkinson . R. . 16402 3 Jacques Bonnet . . . 16402 4 Christophe Romier . . . 16402 5 Bruno Kieffer . . . 16402 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . SPINE 'Structural Proteomics in Europe' . 16402 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID transcription . 16402 'Zinc Finger' . 16402 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16402 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 328 16402 '15N chemical shifts' 91 16402 '1H chemical shifts' 560 16402 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 . . 2010-10-18 2009-07-10 original author . 16402 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16402 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20634802 _Citation.Full_citation . _Citation.Title 'The structural plasticity of SCA7 domains defines their differential nucleosome-binding properties.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO Rep.' _Citation.Journal_name_full 'EMBO reports' _Citation.Journal_volume 11 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 612 _Citation.Page_last 618 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jacques Bonnet . . . 16402 1 2 Ying-Hui Wang . . . 16402 1 3 Gianpiero Spedale . . . 16402 1 4 'R. Andrew' Atkinson . . . 16402 1 5 Christophe Romier . . . 16402 1 6 Ali Hamiche . . . 16402 1 7 'W. W M Pim' Pijnappel . . . 16402 1 8 'H. Th Marc' Timmers . . . 16402 1 9 Laszlo Tora . . . 16402 1 10 Didier Devys . . . 16402 1 11 Bruno Kieffer . . . 16402 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16402 _Assembly.ID 1 _Assembly.Name 'human Ataxin-7-L3' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 SCA7 1 $entity_1 A . yes native no no . . . 16402 1 2 'ZINC ION' 2 $ZN B . no native no no . . . 16402 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 16402 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SCA7 _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 ; HMGPEELRSLLTTQCGVISE HTKKMCTRSLRCPQHTDEQR RTVRIYFLGPSAVLPEVESS LDNDSFDMTDSQALISRLQW DG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 82 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KKT . "Solution Structure Of The Sca7 Domain Of Human Ataxin-7-L3 P" . . . . . 100.00 84 98.78 100.00 1.08e-52 . . . . 16402 1 2 no DBJ BAB71070 . "unnamed protein product [Homo sapiens]" . . . . . 98.78 222 98.77 100.00 1.50e-51 . . . . 16402 1 3 no DBJ BAC41186 . "unnamed protein product [Mus musculus]" . . . . . 98.78 308 97.53 98.77 4.11e-49 . . . . 16402 1 4 no DBJ BAG59283 . "unnamed protein product [Homo sapiens]" . . . . . 70.73 129 100.00 100.00 1.64e-34 . . . . 16402 1 5 no EMBL CAB99093 . "hypothetical protein [Homo sapiens]" . . . . . 98.78 187 98.77 100.00 1.23e-51 . . . . 16402 1 6 no GB AAH37418 . "ATXN7L3 protein, partial [Homo sapiens]" . . . . . 98.78 353 98.77 100.00 3.48e-49 . . . . 16402 1 7 no GB AAI13596 . "ATXN7L3 protein [Homo sapiens]" . . . . . 98.78 347 98.77 100.00 2.16e-49 . . . . 16402 1 8 no GB AAI26114 . "ATXN7L3 protein [Homo sapiens]" . . . . . 98.78 347 98.77 100.00 2.16e-49 . . . . 16402 1 9 no GB ADR82942 . "ataxin 7-like 3 (ATXN7L3), transcript variant 2 [synthetic construct]" . . . . . 98.78 347 98.77 100.00 2.16e-49 . . . . 16402 1 10 no GB AIC51952 . "ATXN7L3, partial [synthetic construct]" . . . . . 98.78 347 98.77 100.00 2.16e-49 . . . . 16402 1 11 no REF NP_001092303 . "ataxin-7-like protein 3 isoform b [Homo sapiens]" . . . . . 98.78 347 98.77 100.00 2.16e-49 . . . . 16402 1 12 no REF NP_001092306 . "ataxin-7-like protein 3 isoform a [Mus musculus]" . . . . . 98.78 354 97.53 98.77 1.35e-48 . . . . 16402 1 13 no REF NP_001092307 . "ataxin-7-like protein 3 isoform b [Mus musculus]" . . . . . 98.78 347 97.53 98.77 8.11e-49 . . . . 16402 1 14 no REF NP_001179537 . "ataxin-7-like protein 3 [Bos taurus]" . . . . . 98.78 347 97.53 98.77 4.46e-48 . . . . 16402 1 15 no REF NP_064603 . "ataxin-7-like protein 3 isoform a [Homo sapiens]" . . . . . 98.78 354 98.77 100.00 3.41e-49 . . . . 16402 1 16 no SP A2AWT3 . "RecName: Full=Ataxin-7-like protein 3; AltName: Full=SAGA-associated factor 11 homolog" . . . . . 98.78 347 97.53 98.77 8.11e-49 . . . . 16402 1 17 no SP Q14CW9 . "RecName: Full=Ataxin-7-like protein 3; AltName: Full=SAGA-associated factor 11 homolog" . . . . . 98.78 347 98.77 100.00 2.16e-49 . . . . 16402 1 18 no TPG DAA18386 . "TPA: ataxin 7-like 3-like [Bos taurus]" . . . . . 98.78 347 97.53 98.77 4.46e-48 . . . . 16402 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'HISTONE DEUBIQUITINATION' 16402 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 -1 HIS . 16402 1 2 0 MET . 16402 1 3 1 GLY . 16402 1 4 2 PRO . 16402 1 5 3 GLU . 16402 1 6 4 GLU . 16402 1 7 5 LEU . 16402 1 8 6 ARG . 16402 1 9 7 SER . 16402 1 10 8 LEU . 16402 1 11 9 LEU . 16402 1 12 10 THR . 16402 1 13 11 THR . 16402 1 14 12 GLN . 16402 1 15 13 CYS . 16402 1 16 14 GLY . 16402 1 17 15 VAL . 16402 1 18 16 ILE . 16402 1 19 17 SER . 16402 1 20 18 GLU . 16402 1 21 19 HIS . 16402 1 22 20 THR . 16402 1 23 21 LYS . 16402 1 24 22 LYS . 16402 1 25 23 MET . 16402 1 26 24 CYS . 16402 1 27 25 THR . 16402 1 28 26 ARG . 16402 1 29 27 SER . 16402 1 30 28 LEU . 16402 1 31 29 ARG . 16402 1 32 30 CYS . 16402 1 33 31 PRO . 16402 1 34 32 GLN . 16402 1 35 33 HIS . 16402 1 36 34 THR . 16402 1 37 35 ASP . 16402 1 38 36 GLU . 16402 1 39 37 GLN . 16402 1 40 38 ARG . 16402 1 41 39 ARG . 16402 1 42 40 THR . 16402 1 43 41 VAL . 16402 1 44 42 ARG . 16402 1 45 43 ILE . 16402 1 46 44 TYR . 16402 1 47 45 PHE . 16402 1 48 46 LEU . 16402 1 49 47 GLY . 16402 1 50 48 PRO . 16402 1 51 49 SER . 16402 1 52 50 ALA . 16402 1 53 51 VAL . 16402 1 54 52 LEU . 16402 1 55 53 PRO . 16402 1 56 54 GLU . 16402 1 57 55 VAL . 16402 1 58 56 GLU . 16402 1 59 57 SER . 16402 1 60 58 SER . 16402 1 61 59 LEU . 16402 1 62 60 ASP . 16402 1 63 61 ASN . 16402 1 64 62 ASP . 16402 1 65 63 SER . 16402 1 66 64 PHE . 16402 1 67 65 ASP . 16402 1 68 66 MET . 16402 1 69 67 THR . 16402 1 70 68 ASP . 16402 1 71 69 SER . 16402 1 72 70 GLN . 16402 1 73 71 ALA . 16402 1 74 72 LEU . 16402 1 75 73 ILE . 16402 1 76 74 SER . 16402 1 77 75 ARG . 16402 1 78 76 LEU . 16402 1 79 77 GLN . 16402 1 80 78 TRP . 16402 1 81 79 ASP . 16402 1 82 80 GLY . 16402 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 . HIS 1 1 16402 1 . MET 2 2 16402 1 . GLY 3 3 16402 1 . PRO 4 4 16402 1 . GLU 5 5 16402 1 . GLU 6 6 16402 1 . LEU 7 7 16402 1 . ARG 8 8 16402 1 . SER 9 9 16402 1 . LEU 10 10 16402 1 . LEU 11 11 16402 1 . THR 12 12 16402 1 . THR 13 13 16402 1 . GLN 14 14 16402 1 . CYS 15 15 16402 1 . GLY 16 16 16402 1 . VAL 17 17 16402 1 . ILE 18 18 16402 1 . SER 19 19 16402 1 . GLU 20 20 16402 1 . HIS 21 21 16402 1 . THR 22 22 16402 1 . LYS 23 23 16402 1 . LYS 24 24 16402 1 . MET 25 25 16402 1 . CYS 26 26 16402 1 . THR 27 27 16402 1 . ARG 28 28 16402 1 . SER 29 29 16402 1 . LEU 30 30 16402 1 . ARG 31 31 16402 1 . CYS 32 32 16402 1 . PRO 33 33 16402 1 . GLN 34 34 16402 1 . HIS 35 35 16402 1 . THR 36 36 16402 1 . ASP 37 37 16402 1 . GLU 38 38 16402 1 . GLN 39 39 16402 1 . ARG 40 40 16402 1 . ARG 41 41 16402 1 . THR 42 42 16402 1 . VAL 43 43 16402 1 . ARG 44 44 16402 1 . ILE 45 45 16402 1 . TYR 46 46 16402 1 . PHE 47 47 16402 1 . LEU 48 48 16402 1 . GLY 49 49 16402 1 . PRO 50 50 16402 1 . SER 51 51 16402 1 . ALA 52 52 16402 1 . VAL 53 53 16402 1 . LEU 54 54 16402 1 . PRO 55 55 16402 1 . GLU 56 56 16402 1 . VAL 57 57 16402 1 . GLU 58 58 16402 1 . SER 59 59 16402 1 . SER 60 60 16402 1 . LEU 61 61 16402 1 . ASP 62 62 16402 1 . ASN 63 63 16402 1 . ASP 64 64 16402 1 . SER 65 65 16402 1 . PHE 66 66 16402 1 . ASP 67 67 16402 1 . MET 68 68 16402 1 . THR 69 69 16402 1 . ASP 70 70 16402 1 . SER 71 71 16402 1 . GLN 72 72 16402 1 . ALA 73 73 16402 1 . LEU 74 74 16402 1 . ILE 75 75 16402 1 . SER 76 76 16402 1 . ARG 77 77 16402 1 . LEU 78 78 16402 1 . GLN 79 79 16402 1 . TRP 80 80 16402 1 . ASP 81 81 16402 1 . GLY 82 82 16402 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 16402 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 16402 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 16402 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . ATXN7L3 . . . . 16402 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 16402 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 [DE3]' . . . . . . . . . . . . . . . pGEX-4T1 . . . . . . 16402 1 2 2 $ZN . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 [DE3]' . . . . . . . . . . . . . . . pGEX-4T1 . . . . . . 16402 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 16402 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 InChI InChI 1.02b 16402 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 16402 ZN [Zn++] SMILES CACTVS 3.341 16402 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 16402 ZN [Zn+2] SMILES ACDLabs 10.04 16402 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 16402 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16402 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 16402 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16402 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . . . . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 . . 16402 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16402 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16402 1 2 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 16402 1 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 16402 1 4 entity_1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.3 . . mM . . . . 16402 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16402 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16402 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16402 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16402 2 2 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 16402 2 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 16402 2 4 entity_1 'natural abundance' . . 1 $entity_1 . . 0.6 . . mM . . . . 16402 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16402 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16402 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 16402 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.3 0.03 M 16402 1 pH 7.1 0.1 pH 16402 1 pressure 1 . atm 16402 1 temperature 295 0.4 K 16402 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16402 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details ATNOS/CANDID loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16402 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16402 1 'structure solution' 16402 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16402 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16402 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 16402 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 16402 1 2 spectrometer_2 Bruker Avance . 950 . . . 16402 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 16402 _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 HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16402 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16402 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16402 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16402 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16402 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16402 1 7 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16402 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16402 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.000 external direct 1.0000 . . . . . . . . . 16402 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16402 _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 $chemical_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 6 '2D 1H-1H NOESY' . . . 16402 1 7 '2D 1H-1H TOCSY' . . . 16402 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $X-PLOR_NIH . . 16402 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 HIS HA H 1 4.724 0.020 . 1 . . . . -1 H HA . 16402 1 2 . 1 1 1 1 HIS HB2 H 1 3.184 0.020 . 2 . . . . -1 H HB2 . 16402 1 3 . 1 1 1 1 HIS HB3 H 1 3.122 0.020 . 2 . . . . -1 H HB3 . 16402 1 4 . 1 1 1 1 HIS HD2 H 1 7.111 0.020 . 1 . . . . -1 H HD2 . 16402 1 5 . 1 1 1 1 HIS HE1 H 1 8.083 0.020 . 1 . . . . -1 H HE1 . 16402 1 6 . 1 1 1 1 HIS C C 13 174.724 0.300 . 1 . . . . -1 H C . 16402 1 7 . 1 1 1 1 HIS CA C 13 55.967 0.300 . 1 . . . . -1 H CA . 16402 1 8 . 1 1 1 1 HIS CB C 13 30.467 0.300 . 1 . . . . -1 H CB . 16402 1 9 . 1 1 1 1 HIS CD2 C 13 120.271 0.300 . 1 . . . . -1 H CD2 . 16402 1 10 . 1 1 1 1 HIS CE1 C 13 137.739 0.300 . 1 . . . . -1 H CE1 . 16402 1 11 . 1 1 1 1 HIS ND1 N 15 216.441 0.300 . 1 . . . . -1 H ND1 . 16402 1 12 . 1 1 1 1 HIS NE2 N 15 181.848 0.300 . 1 . . . . -1 H NE2 . 16402 1 13 . 1 1 2 2 MET H H 1 8.376 0.020 . 1 . . . . 0 M HN . 16402 1 14 . 1 1 2 2 MET HE1 H 1 1.960 0.020 . . . . . . 0 M QE . 16402 1 15 . 1 1 2 2 MET HE2 H 1 1.960 0.020 . . . . . . 0 M QE . 16402 1 16 . 1 1 2 2 MET HE3 H 1 1.960 0.020 . . . . . . 0 M QE . 16402 1 17 . 1 1 2 2 MET C C 13 175.609 0.300 . 1 . . . . 0 M C . 16402 1 18 . 1 1 2 2 MET CA C 13 55.622 0.300 . 1 . . . . 0 M CA . 16402 1 19 . 1 1 2 2 MET CB C 13 33.910 0.300 . 1 . . . . 0 M CB . 16402 1 20 . 1 1 2 2 MET CE C 13 17.289 0.300 . 1 . . . . 0 M CE . 16402 1 21 . 1 1 2 2 MET N N 15 123.557 0.300 . 1 . . . . 0 M N . 16402 1 22 . 1 1 3 3 GLY H H 1 8.630 0.020 . 1 . . . . 1 G HN . 16402 1 23 . 1 1 3 3 GLY HA2 H 1 4.020 0.020 . . . . . . 1 G HA1 . 16402 1 24 . 1 1 3 3 GLY HA3 H 1 4.424 0.020 . 2 . . . . 1 G HA2 . 16402 1 25 . 1 1 3 3 GLY CA C 13 44.398 0.300 . 1 . . . . 1 G CA . 16402 1 26 . 1 1 3 3 GLY N N 15 111.903 0.300 . 1 . . . . 1 G N . 16402 1 27 . 1 1 4 4 PRO HA H 1 4.213 0.020 . 1 . . . . 2 P HA . 16402 1 28 . 1 1 4 4 PRO HB2 H 1 2.412 0.020 . 2 . . . . 2 P HB2 . 16402 1 29 . 1 1 4 4 PRO HB3 H 1 2.023 0.020 . 2 . . . . 2 P HB3 . 16402 1 30 . 1 1 4 4 PRO HD2 H 1 3.848 0.020 . 2 . . . . 2 P HD2 . 16402 1 31 . 1 1 4 4 PRO HD3 H 1 3.760 0.020 . 2 . . . . 2 P HD3 . 16402 1 32 . 1 1 4 4 PRO HG2 H 1 2.209 0.020 . 2 . . . . 2 P HG2 . 16402 1 33 . 1 1 4 4 PRO HG3 H 1 2.139 0.020 . 2 . . . . 2 P HG3 . 16402 1 34 . 1 1 4 4 PRO C C 13 178.994 0.300 . 1 . . . . 2 P C . 16402 1 35 . 1 1 4 4 PRO CA C 13 65.461 0.300 . 1 . . . . 2 P CA . 16402 1 36 . 1 1 4 4 PRO CB C 13 31.646 0.300 . 1 . . . . 2 P CB . 16402 1 37 . 1 1 4 4 PRO CD C 13 49.592 0.300 . 1 . . . . 2 P CD . 16402 1 38 . 1 1 4 4 PRO CG C 13 27.545 0.300 . 1 . . . . 2 P CG . 16402 1 39 . 1 1 5 5 GLU H H 1 8.736 0.020 . 1 . . . . 3 E HN . 16402 1 40 . 1 1 5 5 GLU HA H 1 4.098 0.020 . 1 . . . . 3 E HA . 16402 1 41 . 1 1 5 5 GLU HB2 H 1 2.042 0.020 . 2 . . . . 3 E QB . 16402 1 42 . 1 1 5 5 GLU HB3 H 1 2.042 0.020 . 2 . . . . 3 E QB . 16402 1 43 . 1 1 5 5 GLU HG2 H 1 2.361 0.020 . 2 . . . . 3 E QG . 16402 1 44 . 1 1 5 5 GLU HG3 H 1 2.361 0.020 . 2 . . . . 3 E QG . 16402 1 45 . 1 1 5 5 GLU C C 13 179.162 0.300 . 1 . . . . 3 E C . 16402 1 46 . 1 1 5 5 GLU CA C 13 59.332 0.300 . 1 . . . . 3 E CA . 16402 1 47 . 1 1 5 5 GLU CB C 13 28.522 0.300 . 1 . . . . 3 E CB . 16402 1 48 . 1 1 5 5 GLU CG C 13 36.311 0.300 . 1 . . . . 3 E CG . 16402 1 49 . 1 1 5 5 GLU N N 15 118.500 0.300 . 1 . . . . 3 E N . 16402 1 50 . 1 1 6 6 GLU H H 1 8.027 0.020 . 1 . . . . 4 E HN . 16402 1 51 . 1 1 6 6 GLU HA H 1 4.078 0.020 . 1 . . . . 4 E HA . 16402 1 52 . 1 1 6 6 GLU HB2 H 1 2.183 0.020 . 2 . . . . 4 E HB2 . 16402 1 53 . 1 1 6 6 GLU HB3 H 1 2.014 0.020 . 2 . . . . 4 E HB3 . 16402 1 54 . 1 1 6 6 GLU HG2 H 1 2.423 0.020 . 2 . . . . 4 E HG2 . 16402 1 55 . 1 1 6 6 GLU HG3 H 1 2.302 0.020 . 2 . . . . 4 E HG3 . 16402 1 56 . 1 1 6 6 GLU C C 13 179.162 0.300 . 1 . . . . 4 E C . 16402 1 57 . 1 1 6 6 GLU CA C 13 59.487 0.300 . 1 . . . . 4 E CA . 16402 1 58 . 1 1 6 6 GLU CB C 13 29.615 0.300 . 1 . . . . 4 E CB . 16402 1 59 . 1 1 6 6 GLU CG C 13 36.576 0.300 . 1 . . . . 4 E CG . 16402 1 60 . 1 1 6 6 GLU N N 15 122.240 0.300 . 1 . . . . 4 E N . 16402 1 61 . 1 1 7 7 LEU H H 1 8.189 0.020 . 1 . . . . 5 L HN . 16402 1 62 . 1 1 7 7 LEU HA H 1 3.911 0.020 . 1 . . . . 5 L HA . 16402 1 63 . 1 1 7 7 LEU HB2 H 1 1.600 0.020 . 2 . . . . 5 L HB2 . 16402 1 64 . 1 1 7 7 LEU HB3 H 1 1.297 0.020 . 2 . . . . 5 L HB3 . 16402 1 65 . 1 1 7 7 LEU HD11 H 1 0.521 0.020 . . . . . . 5 L QD1 . 16402 1 66 . 1 1 7 7 LEU HD12 H 1 0.521 0.020 . . . . . . 5 L QD1 . 16402 1 67 . 1 1 7 7 LEU HD13 H 1 0.521 0.020 . . . . . . 5 L QD1 . 16402 1 68 . 1 1 7 7 LEU HD21 H 1 0.404 0.020 . . . . . . 5 L QD2 . 16402 1 69 . 1 1 7 7 LEU HD22 H 1 0.404 0.020 . . . . . . 5 L QD2 . 16402 1 70 . 1 1 7 7 LEU HD23 H 1 0.404 0.020 . . . . . . 5 L QD2 . 16402 1 71 . 1 1 7 7 LEU HG H 1 1.358 0.020 . 1 . . . . 5 L HG . 16402 1 72 . 1 1 7 7 LEU C C 13 178.078 0.300 . 1 . . . . 5 L C . 16402 1 73 . 1 1 7 7 LEU CA C 13 57.869 0.300 . 1 . . . . 5 L CA . 16402 1 74 . 1 1 7 7 LEU CB C 13 42.033 0.300 . 1 . . . . 5 L CB . 16402 1 75 . 1 1 7 7 LEU CD1 C 13 24.624 0.300 . 2 . . . . 5 L CD1 . 16402 1 76 . 1 1 7 7 LEU CD2 C 13 24.092 0.300 . 2 . . . . 5 L CD2 . 16402 1 77 . 1 1 7 7 LEU CG C 13 27.014 0.300 . 1 . . . . 5 L CG . 16402 1 78 . 1 1 7 7 LEU N N 15 121.927 0.300 . 1 . . . . 5 L N . 16402 1 79 . 1 1 8 8 ARG H H 1 8.196 0.020 . 1 . . . . 6 R HN . 16402 1 80 . 1 1 8 8 ARG HA H 1 3.797 0.020 . 1 . . . . 6 R HA . 16402 1 81 . 1 1 8 8 ARG HB2 H 1 1.925 0.020 . 2 . . . . 6 R HB2 . 16402 1 82 . 1 1 8 8 ARG HB3 H 1 1.892 0.020 . 2 . . . . 6 R HB3 . 16402 1 83 . 1 1 8 8 ARG HD2 H 1 3.275 0.020 . 2 . . . . 6 R HD2 . 16402 1 84 . 1 1 8 8 ARG HD3 H 1 3.203 0.020 . 2 . . . . 6 R HD3 . 16402 1 85 . 1 1 8 8 ARG HE H 1 7.573 0.020 . 1 . . . . 6 R HE . 16402 1 86 . 1 1 8 8 ARG HG2 H 1 1.739 0.020 . 2 . . . . 6 R HG2 . 16402 1 87 . 1 1 8 8 ARG HG3 H 1 1.547 0.020 . 2 . . . . 6 R HG3 . 16402 1 88 . 1 1 8 8 ARG C C 13 179.184 0.300 . 1 . . . . 6 R C . 16402 1 89 . 1 1 8 8 ARG CA C 13 60.079 0.300 . 1 . . . . 6 R CA . 16402 1 90 . 1 1 8 8 ARG CB C 13 29.615 0.300 . 1 . . . . 6 R CB . 16402 1 91 . 1 1 8 8 ARG CD C 13 42.951 0.300 . 1 . . . . 6 R CD . 16402 1 92 . 1 1 8 8 ARG CG C 13 27.811 0.300 . 1 . . . . 6 R CG . 16402 1 93 . 1 1 8 8 ARG N N 15 118.731 0.300 . 1 . . . . 6 R N . 16402 1 94 . 1 1 9 9 SER H H 1 7.813 0.020 . 1 . . . . 7 S HN . 16402 1 95 . 1 1 9 9 SER HA H 1 4.239 0.020 . 1 . . . . 7 S HA . 16402 1 96 . 1 1 9 9 SER HB2 H 1 3.993 0.020 . 2 . . . . 7 S QB . 16402 1 97 . 1 1 9 9 SER HB3 H 1 3.993 0.020 . 2 . . . . 7 S QB . 16402 1 98 . 1 1 9 9 SER C C 13 177.989 0.300 . 1 . . . . 7 S C . 16402 1 99 . 1 1 9 9 SER CA C 13 61.510 0.300 . 1 . . . . 7 S CA . 16402 1 100 . 1 1 9 9 SER CB C 13 62.416 0.300 . 1 . . . . 7 S CB . 16402 1 101 . 1 1 9 9 SER N N 15 114.029 0.300 . 1 . . . . 7 S N . 16402 1 102 . 1 1 10 10 LEU H H 1 8.145 0.020 . 1 . . . . 8 L HN . 16402 1 103 . 1 1 10 10 LEU HA H 1 4.058 0.020 . 1 . . . . 8 L HA . 16402 1 104 . 1 1 10 10 LEU HB2 H 1 1.772 0.020 . 2 . . . . 8 L HB2 . 16402 1 105 . 1 1 10 10 LEU HB3 H 1 1.609 0.020 . 2 . . . . 8 L HB3 . 16402 1 106 . 1 1 10 10 LEU HD11 H 1 0.808 0.020 . . . . . . 8 L QD1 . 16402 1 107 . 1 1 10 10 LEU HD12 H 1 0.808 0.020 . . . . . . 8 L QD1 . 16402 1 108 . 1 1 10 10 LEU HD13 H 1 0.808 0.020 . . . . . . 8 L QD1 . 16402 1 109 . 1 1 10 10 LEU HD21 H 1 0.750 0.020 . . . . . . 8 L QD2 . 16402 1 110 . 1 1 10 10 LEU HD22 H 1 0.750 0.020 . . . . . . 8 L QD2 . 16402 1 111 . 1 1 10 10 LEU HD23 H 1 0.750 0.020 . . . . . . 8 L QD2 . 16402 1 112 . 1 1 10 10 LEU HG H 1 1.628 0.020 . 1 . . . . 8 L HG . 16402 1 113 . 1 1 10 10 LEU C C 13 178.815 0.300 . 1 . . . . 8 L C . 16402 1 114 . 1 1 10 10 LEU CA C 13 58.772 0.300 . 1 . . . . 8 L CA . 16402 1 115 . 1 1 10 10 LEU CB C 13 42.111 0.300 . 1 . . . . 8 L CB . 16402 1 116 . 1 1 10 10 LEU CD1 C 13 25.686 0.300 . 2 . . . . 8 L CD1 . 16402 1 117 . 1 1 10 10 LEU CD2 C 13 24.538 0.300 . 2 . . . . 8 L CD2 . 16402 1 118 . 1 1 10 10 LEU CG C 13 26.749 0.300 . 1 . . . . 8 L CG . 16402 1 119 . 1 1 10 10 LEU N N 15 125.756 0.300 . 1 . . . . 8 L N . 16402 1 120 . 1 1 11 11 LEU H H 1 8.090 0.020 . 1 . . . . 9 L HN . 16402 1 121 . 1 1 11 11 LEU HA H 1 4.366 0.020 . 1 . . . . 9 L HA . 16402 1 122 . 1 1 11 11 LEU HB2 H 1 1.922 0.020 . 2 . . . . 9 L HB2 . 16402 1 123 . 1 1 11 11 LEU HB3 H 1 1.540 0.020 . 2 . . . . 9 L HB3 . 16402 1 124 . 1 1 11 11 LEU HD11 H 1 0.860 0.020 . . . . . . 9 L QD1 . 16402 1 125 . 1 1 11 11 LEU HD12 H 1 0.860 0.020 . . . . . . 9 L QD1 . 16402 1 126 . 1 1 11 11 LEU HD13 H 1 0.860 0.020 . . . . . . 9 L QD1 . 16402 1 127 . 1 1 11 11 LEU HD21 H 1 0.826 0.020 . . . . . . 9 L QD2 . 16402 1 128 . 1 1 11 11 LEU HD22 H 1 0.826 0.020 . . . . . . 9 L QD2 . 16402 1 129 . 1 1 11 11 LEU HD23 H 1 0.826 0.020 . . . . . . 9 L QD2 . 16402 1 130 . 1 1 11 11 LEU HG H 1 1.808 0.020 . 1 . . . . 9 L HG . 16402 1 131 . 1 1 11 11 LEU C C 13 178.025 0.300 . 1 . . . . 9 L C . 16402 1 132 . 1 1 11 11 LEU CA C 13 55.598 0.300 . 1 . . . . 9 L CA . 16402 1 133 . 1 1 11 11 LEU CB C 13 40.861 0.300 . 1 . . . . 9 L CB . 16402 1 134 . 1 1 11 11 LEU N N 15 116.128 0.300 . 1 . . . . 9 L N . 16402 1 135 . 1 1 12 12 THR H H 1 7.780 0.020 . 1 . . . . 10 T HN . 16402 1 136 . 1 1 12 12 THR HA H 1 4.255 0.020 . 1 . . . . 10 T HA . 16402 1 137 . 1 1 12 12 THR HB H 1 4.443 0.020 . 1 . . . . 10 T HB . 16402 1 138 . 1 1 12 12 THR HG21 H 1 1.419 0.020 . . . . . . 10 T QG2 . 16402 1 139 . 1 1 12 12 THR HG22 H 1 1.419 0.020 . . . . . . 10 T QG2 . 16402 1 140 . 1 1 12 12 THR HG23 H 1 1.419 0.020 . . . . . . 10 T QG2 . 16402 1 141 . 1 1 12 12 THR C C 13 175.461 0.300 . 1 . . . . 10 T C . 16402 1 142 . 1 1 12 12 THR CA C 13 65.399 0.300 . 1 . . . . 10 T CA . 16402 1 143 . 1 1 12 12 THR CB C 13 69.289 0.300 . 1 . . . . 10 T CB . 16402 1 144 . 1 1 12 12 THR CG2 C 13 21.702 0.300 . 1 . . . . 10 T CG2 . 16402 1 145 . 1 1 12 12 THR N N 15 113.498 0.300 . 1 . . . . 10 T N . 16402 1 146 . 1 1 13 13 THR H H 1 7.269 0.020 . 1 . . . . 11 T HN . 16402 1 147 . 1 1 13 13 THR HA H 1 4.604 0.020 . 1 . . . . 11 T HA . 16402 1 148 . 1 1 13 13 THR HB H 1 4.358 0.020 . 1 . . . . 11 T HB . 16402 1 149 . 1 1 13 13 THR HG21 H 1 1.224 0.020 . . . . . . 11 T QG2 . 16402 1 150 . 1 1 13 13 THR HG22 H 1 1.224 0.020 . . . . . . 11 T QG2 . 16402 1 151 . 1 1 13 13 THR HG23 H 1 1.224 0.020 . . . . . . 11 T QG2 . 16402 1 152 . 1 1 13 13 THR C C 13 174.034 0.300 . 1 . . . . 11 T C . 16402 1 153 . 1 1 13 13 THR CA C 13 61.883 0.300 . 1 . . . . 11 T CA . 16402 1 154 . 1 1 13 13 THR CB C 13 70.929 0.300 . 1 . . . . 11 T CB . 16402 1 155 . 1 1 13 13 THR CG2 C 13 21.436 0.300 . 1 . . . . 11 T CG2 . 16402 1 156 . 1 1 13 13 THR N N 15 107.390 0.300 . 1 . . . . 11 T N . 16402 1 157 . 1 1 14 14 GLN H H 1 8.155 0.020 . 1 . . . . 12 Q HN . 16402 1 158 . 1 1 14 14 GLN HA H 1 5.003 0.020 . 1 . . . . 12 Q HA . 16402 1 159 . 1 1 14 14 GLN HB2 H 1 2.065 0.020 . 2 . . . . 12 Q HB2 . 16402 1 160 . 1 1 14 14 GLN HB3 H 1 1.876 0.020 . 2 . . . . 12 Q HB3 . 16402 1 161 . 1 1 14 14 GLN HE21 H 1 6.922 0.020 . 2 . . . . 12 Q HE21 . 16402 1 162 . 1 1 14 14 GLN HE22 H 1 6.668 0.020 . 2 . . . . 12 Q HE22 . 16402 1 163 . 1 1 14 14 GLN HG2 H 1 2.359 0.020 . 2 . . . . 12 Q HG2 . 16402 1 164 . 1 1 14 14 GLN HG3 H 1 2.237 0.020 . 2 . . . . 12 Q HG3 . 16402 1 165 . 1 1 14 14 GLN C C 13 173.565 0.300 . 1 . . . . 12 Q C . 16402 1 166 . 1 1 14 14 GLN CA C 13 53.825 0.300 . 1 . . . . 12 Q CA . 16402 1 167 . 1 1 14 14 GLN CB C 13 30.865 0.300 . 1 . . . . 12 Q CB . 16402 1 168 . 1 1 14 14 GLN N N 15 122.840 0.300 . 1 . . . . 12 Q N . 16402 1 169 . 1 1 14 14 GLN NE2 N 15 109.240 0.300 . 1 . . . . 12 Q NE2 . 16402 1 170 . 1 1 15 15 CYS H H 1 8.510 0.020 . 1 . . . . 13 C HN . 16402 1 171 . 1 1 15 15 CYS HA H 1 3.615 0.020 . 1 . . . . 13 C HA . 16402 1 172 . 1 1 15 15 CYS HB2 H 1 3.277 0.020 . 2 . . . . 13 C HB2 . 16402 1 173 . 1 1 15 15 CYS HB3 H 1 2.650 0.020 . 2 . . . . 13 C HB3 . 16402 1 174 . 1 1 15 15 CYS C C 13 177.042 0.300 . 1 . . . . 13 C C . 16402 1 175 . 1 1 15 15 CYS CA C 13 63.750 0.300 . 1 . . . . 13 C CA . 16402 1 176 . 1 1 15 15 CYS CB C 13 30.318 0.300 . 1 . . . . 13 C CB . 16402 1 177 . 1 1 15 15 CYS N N 15 123.589 0.300 . 1 . . . . 13 C N . 16402 1 178 . 1 1 16 16 GLY H H 1 8.306 0.020 . 1 . . . . 14 G HN . 16402 1 179 . 1 1 16 16 GLY HA2 H 1 3.466 0.020 . . . . . . 14 G HA1 . 16402 1 180 . 1 1 16 16 GLY HA3 H 1 3.920 0.020 . 2 . . . . 14 G HA2 . 16402 1 181 . 1 1 16 16 GLY C C 13 171.054 0.300 . 1 . . . . 14 G C . 16402 1 182 . 1 1 16 16 GLY CA C 13 45.984 0.300 . 1 . . . . 14 G CA . 16402 1 183 . 1 1 16 16 GLY N N 15 129.641 0.300 . 1 . . . . 14 G N . 16402 1 184 . 1 1 17 17 VAL H H 1 7.014 0.020 . 1 . . . . 15 V HN . 16402 1 185 . 1 1 17 17 VAL HA H 1 3.168 0.020 . 1 . . . . 15 V HA . 16402 1 186 . 1 1 17 17 VAL HB H 1 0.544 0.020 . 1 . . . . 15 V HB . 16402 1 187 . 1 1 17 17 VAL HG11 H 1 0.802 0.020 . . . . . . 15 V QG1 . 16402 1 188 . 1 1 17 17 VAL HG12 H 1 0.802 0.020 . . . . . . 15 V QG1 . 16402 1 189 . 1 1 17 17 VAL HG13 H 1 0.802 0.020 . . . . . . 15 V QG1 . 16402 1 190 . 1 1 17 17 VAL HG21 H 1 0.491 0.020 . . . . . . 15 V QG2 . 16402 1 191 . 1 1 17 17 VAL HG22 H 1 0.491 0.020 . . . . . . 15 V QG2 . 16402 1 192 . 1 1 17 17 VAL HG23 H 1 0.491 0.020 . . . . . . 15 V QG2 . 16402 1 193 . 1 1 17 17 VAL C C 13 176.129 0.300 . 1 . . . . 15 V C . 16402 1 194 . 1 1 17 17 VAL CA C 13 64.995 0.300 . 1 . . . . 15 V CA . 16402 1 195 . 1 1 17 17 VAL CB C 13 31.568 0.300 . 1 . . . . 15 V CB . 16402 1 196 . 1 1 17 17 VAL CG1 C 13 25.155 0.300 . 2 . . . . 15 V CG1 . 16402 1 197 . 1 1 17 17 VAL CG2 C 13 20.905 0.300 . 2 . . . . 15 V CG2 . 16402 1 198 . 1 1 17 17 VAL N N 15 118.868 0.300 . 1 . . . . 15 V N . 16402 1 199 . 1 1 18 18 ILE H H 1 8.120 0.020 . 1 . . . . 16 I HN . 16402 1 200 . 1 1 18 18 ILE HA H 1 3.937 0.020 . 1 . . . . 16 I HA . 16402 1 201 . 1 1 18 18 ILE HB H 1 1.577 0.020 . 1 . . . . 16 I HB . 16402 1 202 . 1 1 18 18 ILE HD11 H 1 0.782 0.020 . . . . . . 16 I QD1 . 16402 1 203 . 1 1 18 18 ILE HD12 H 1 0.782 0.020 . . . . . . 16 I QD1 . 16402 1 204 . 1 1 18 18 ILE HD13 H 1 0.782 0.020 . . . . . . 16 I QD1 . 16402 1 205 . 1 1 18 18 ILE HG12 H 1 1.731 0.020 . 2 . . . . 16 I HG12 . 16402 1 206 . 1 1 18 18 ILE HG13 H 1 0.922 0.020 . 2 . . . . 16 I HG13 . 16402 1 207 . 1 1 18 18 ILE HG21 H 1 0.611 0.020 . . . . . . 16 I QG2 . 16402 1 208 . 1 1 18 18 ILE HG22 H 1 0.611 0.020 . . . . . . 16 I QG2 . 16402 1 209 . 1 1 18 18 ILE HG23 H 1 0.611 0.020 . . . . . . 16 I QG2 . 16402 1 210 . 1 1 18 18 ILE C C 13 176.603 0.300 . 1 . . . . 16 I C . 16402 1 211 . 1 1 18 18 ILE CA C 13 61.261 0.300 . 1 . . . . 16 I CA . 16402 1 212 . 1 1 18 18 ILE CB C 13 37.972 0.300 . 1 . . . . 16 I CB . 16402 1 213 . 1 1 18 18 ILE CD1 C 13 12.936 0.300 . 1 . . . . 16 I CD1 . 16402 1 214 . 1 1 18 18 ILE CG1 C 13 28.077 0.300 . 1 . . . . 16 I CG1 . 16402 1 215 . 1 1 18 18 ILE CG2 C 13 17.186 0.300 . 1 . . . . 16 I CG2 . 16402 1 216 . 1 1 18 18 ILE N N 15 129.409 0.300 . 1 . . . . 16 I N . 16402 1 217 . 1 1 19 19 SER H H 1 8.150 0.020 . 1 . . . . 17 S HN . 16402 1 218 . 1 1 19 19 SER HA H 1 4.561 0.020 . 1 . . . . 17 S HA . 16402 1 219 . 1 1 19 19 SER HB2 H 1 4.229 0.020 . 2 . . . . 17 S HB2 . 16402 1 220 . 1 1 19 19 SER HB3 H 1 4.180 0.020 . 2 . . . . 17 S HB3 . 16402 1 221 . 1 1 19 19 SER C C 13 176.497 0.300 . 1 . . . . 17 S C . 16402 1 222 . 1 1 19 19 SER CA C 13 57.589 0.300 . 1 . . . . 17 S CA . 16402 1 223 . 1 1 19 19 SER CB C 13 63.509 0.300 . 1 . . . . 17 S CB . 16402 1 224 . 1 1 19 19 SER N N 15 124.135 0.300 . 1 . . . . 17 S N . 16402 1 225 . 1 1 20 20 GLU H H 1 9.367 0.020 . 1 . . . . 18 E HN . 16402 1 226 . 1 1 20 20 GLU HA H 1 4.048 0.020 . 1 . . . . 18 E HA . 16402 1 227 . 1 1 20 20 GLU HB2 H 1 1.911 0.020 . 2 . . . . 18 E QB . 16402 1 228 . 1 1 20 20 GLU HB3 H 1 1.911 0.020 . 2 . . . . 18 E QB . 16402 1 229 . 1 1 20 20 GLU HG2 H 1 2.163 0.020 . 2 . . . . 18 E QG . 16402 1 230 . 1 1 20 20 GLU HG3 H 1 2.163 0.020 . 2 . . . . 18 E QG . 16402 1 231 . 1 1 20 20 GLU C C 13 176.884 0.300 . 1 . . . . 18 E C . 16402 1 232 . 1 1 20 20 GLU CA C 13 58.492 0.300 . 1 . . . . 18 E CA . 16402 1 233 . 1 1 20 20 GLU CB C 13 29.303 0.300 . 1 . . . . 18 E CB . 16402 1 234 . 1 1 20 20 GLU CG C 13 35.780 0.300 . 1 . . . . 18 E CG . 16402 1 235 . 1 1 20 20 GLU N N 15 129.205 0.300 . 1 . . . . 18 E N . 16402 1 236 . 1 1 21 21 HIS H H 1 8.337 0.020 . 1 . . . . 19 H HN . 16402 1 237 . 1 1 21 21 HIS HA H 1 4.650 0.020 . 1 . . . . 19 H HA . 16402 1 238 . 1 1 21 21 HIS HB2 H 1 3.261 0.020 . 2 . . . . 19 H HB2 . 16402 1 239 . 1 1 21 21 HIS HB3 H 1 3.160 0.020 . 2 . . . . 19 H HB3 . 16402 1 240 . 1 1 21 21 HIS HD2 H 1 7.139 0.020 . 1 . . . . 19 H HD2 . 16402 1 241 . 1 1 21 21 HIS HE1 H 1 7.979 0.020 . 1 . . . . 19 H HE1 . 16402 1 242 . 1 1 21 21 HIS CA C 13 58.119 0.300 . 1 . . . . 19 H CA . 16402 1 243 . 1 1 21 21 HIS CB C 13 30.865 0.300 . 1 . . . . 19 H CB . 16402 1 244 . 1 1 21 21 HIS CD2 C 13 119.440 0.300 . 1 . . . . 19 H CD2 . 16402 1 245 . 1 1 21 21 HIS CE1 C 13 138.413 0.300 . 1 . . . . 19 H CE1 . 16402 1 246 . 1 1 21 21 HIS N N 15 117.018 0.300 . 1 . . . . 19 H N . 16402 1 247 . 1 1 21 21 HIS ND1 N 15 227.972 0.300 . 1 . . . . 19 H ND1 . 16402 1 248 . 1 1 21 21 HIS NE2 N 15 176.313 0.300 . 1 . . . . 19 H NE2 . 16402 1 249 . 1 1 22 22 THR C C 13 175.216 0.300 . 1 . . . . 20 T C . 16402 1 250 . 1 1 22 22 THR CA C 13 61.510 0.300 . 1 . . . . 20 T CA . 16402 1 251 . 1 1 22 22 THR CB C 13 70.304 0.300 . 1 . . . . 20 T CB . 16402 1 252 . 1 1 23 23 LYS H H 1 7.965 0.020 . 1 . . . . 21 K HN . 16402 1 253 . 1 1 23 23 LYS HA H 1 3.956 0.020 . 1 . . . . 21 K HA . 16402 1 254 . 1 1 23 23 LYS HB2 H 1 2.155 0.020 . 2 . . . . 21 K HB2 . 16402 1 255 . 1 1 23 23 LYS HB3 H 1 2.021 0.020 . 2 . . . . 21 K HB3 . 16402 1 256 . 1 1 23 23 LYS HD2 H 1 1.668 0.020 . 2 . . . . 21 K HD2 . 16402 1 257 . 1 1 23 23 LYS HD3 H 1 1.578 0.020 . 2 . . . . 21 K HD3 . 16402 1 258 . 1 1 23 23 LYS HE2 H 1 3.004 0.020 . 2 . . . . 21 K HE2 . 16402 1 259 . 1 1 23 23 LYS HE3 H 1 2.987 0.020 . 2 . . . . 21 K HE3 . 16402 1 260 . 1 1 23 23 LYS HG2 H 1 1.383 0.020 . 2 . . . . 21 K HG2 . 16402 1 261 . 1 1 23 23 LYS HG3 H 1 1.294 0.020 . 2 . . . . 21 K HG3 . 16402 1 262 . 1 1 23 23 LYS C C 13 175.128 0.300 . 1 . . . . 21 K C . 16402 1 263 . 1 1 23 23 LYS CA C 13 57.216 0.300 . 1 . . . . 21 K CA . 16402 1 264 . 1 1 23 23 LYS CB C 13 29.147 0.300 . 1 . . . . 21 K CB . 16402 1 265 . 1 1 23 23 LYS CD C 13 28.874 0.300 . 1 . . . . 21 K CD . 16402 1 266 . 1 1 23 23 LYS CE C 13 42.420 0.300 . 1 . . . . 21 K CE . 16402 1 267 . 1 1 23 23 LYS CG C 13 24.624 0.300 . 1 . . . . 21 K CG . 16402 1 268 . 1 1 23 23 LYS N N 15 115.951 0.300 . 1 . . . . 21 K N . 16402 1 269 . 1 1 24 24 LYS H H 1 7.733 0.020 . 1 . . . . 22 K HN . 16402 1 270 . 1 1 24 24 LYS HA H 1 4.605 0.020 . 1 . . . . 22 K HA . 16402 1 271 . 1 1 24 24 LYS HB2 H 1 1.843 0.020 . 2 . . . . 22 K HB2 . 16402 1 272 . 1 1 24 24 LYS HB3 H 1 1.651 0.020 . 2 . . . . 22 K HB3 . 16402 1 273 . 1 1 24 24 LYS HD2 H 1 1.706 0.020 . 2 . . . . 22 K HD2 . 16402 1 274 . 1 1 24 24 LYS HD3 H 1 1.685 0.020 . 2 . . . . 22 K HD3 . 16402 1 275 . 1 1 24 24 LYS HE2 H 1 3.047 0.020 . 2 . . . . 22 K HE2 . 16402 1 276 . 1 1 24 24 LYS HE3 H 1 3.032 0.020 . 2 . . . . 22 K HE3 . 16402 1 277 . 1 1 24 24 LYS HG2 H 1 1.475 0.020 . 2 . . . . 22 K HG2 . 16402 1 278 . 1 1 24 24 LYS HG3 H 1 1.398 0.020 . 2 . . . . 22 K HG3 . 16402 1 279 . 1 1 24 24 LYS C C 13 176.849 0.300 . 1 . . . . 22 K C . 16402 1 280 . 1 1 24 24 LYS CA C 13 54.851 0.300 . 1 . . . . 22 K CA . 16402 1 281 . 1 1 24 24 LYS CB C 13 34.379 0.300 . 1 . . . . 22 K CB . 16402 1 282 . 1 1 24 24 LYS CD C 13 28.874 0.300 . 1 . . . . 22 K CD . 16402 1 283 . 1 1 24 24 LYS CE C 13 42.154 0.300 . 1 . . . . 22 K CE . 16402 1 284 . 1 1 24 24 LYS CG C 13 25.155 0.300 . 1 . . . . 22 K CG . 16402 1 285 . 1 1 24 24 LYS N N 15 118.404 0.300 . 1 . . . . 22 K N . 16402 1 286 . 1 1 25 25 MET H H 1 8.584 0.020 . 1 . . . . 23 M HN . 16402 1 287 . 1 1 25 25 MET HA H 1 3.883 0.020 . 1 . . . . 23 M HA . 16402 1 288 . 1 1 25 25 MET HB2 H 1 1.797 0.020 . 2 . . . . 23 M HB2 . 16402 1 289 . 1 1 25 25 MET HB3 H 1 1.772 0.020 . 2 . . . . 23 M HB3 . 16402 1 290 . 1 1 25 25 MET HE1 H 1 1.865 0.020 . . . . . . 23 M QE . 16402 1 291 . 1 1 25 25 MET HE2 H 1 1.865 0.020 . . . . . . 23 M QE . 16402 1 292 . 1 1 25 25 MET HE3 H 1 1.865 0.020 . . . . . . 23 M QE . 16402 1 293 . 1 1 25 25 MET HG2 H 1 2.650 0.020 . 2 . . . . 23 M HG2 . 16402 1 294 . 1 1 25 25 MET HG3 H 1 2.535 0.020 . 2 . . . . 23 M HG3 . 16402 1 295 . 1 1 25 25 MET C C 13 176.304 0.300 . 1 . . . . 23 M C . 16402 1 296 . 1 1 25 25 MET CA C 13 56.500 0.300 . 1 . . . . 23 M CA . 16402 1 297 . 1 1 25 25 MET CB C 13 35.082 0.300 . 1 . . . . 23 M CB . 16402 1 298 . 1 1 25 25 MET CE C 13 17.150 0.300 . 1 . . . . 23 M CE . 16402 1 299 . 1 1 25 25 MET CG C 13 31.795 0.300 . 1 . . . . 23 M CG . 16402 1 300 . 1 1 25 25 MET N N 15 122.704 0.300 . 1 . . . . 23 M N . 16402 1 301 . 1 1 26 26 CYS H H 1 8.460 0.020 . 1 . . . . 24 C HN . 16402 1 302 . 1 1 26 26 CYS HA H 1 4.234 0.020 . 1 . . . . 24 C HA . 16402 1 303 . 1 1 26 26 CYS HB2 H 1 3.085 0.020 . 2 . . . . 24 C HB2 . 16402 1 304 . 1 1 26 26 CYS HB3 H 1 2.769 0.020 . 2 . . . . 24 C HB3 . 16402 1 305 . 1 1 26 26 CYS C C 13 177.709 0.300 . 1 . . . . 24 C C . 16402 1 306 . 1 1 26 26 CYS CA C 13 61.261 0.300 . 1 . . . . 24 C CA . 16402 1 307 . 1 1 26 26 CYS CB C 13 29.693 0.300 . 1 . . . . 24 C CB . 16402 1 308 . 1 1 26 26 CYS N N 15 127.119 0.300 . 1 . . . . 24 C N . 16402 1 309 . 1 1 27 27 THR H H 1 8.490 0.020 . 1 . . . . 25 T HN . 16402 1 310 . 1 1 27 27 THR HA H 1 4.558 0.020 . 1 . . . . 25 T HA . 16402 1 311 . 1 1 27 27 THR HB H 1 4.647 0.020 . 1 . . . . 25 T HB . 16402 1 312 . 1 1 27 27 THR HG21 H 1 1.290 0.020 . . . . . . 25 T QG2 . 16402 1 313 . 1 1 27 27 THR HG22 H 1 1.290 0.020 . . . . . . 25 T QG2 . 16402 1 314 . 1 1 27 27 THR HG23 H 1 1.290 0.020 . . . . . . 25 T QG2 . 16402 1 315 . 1 1 27 27 THR C C 13 175.514 0.300 . 1 . . . . 25 T C . 16402 1 316 . 1 1 27 27 THR CA C 13 61.448 0.300 . 1 . . . . 25 T CA . 16402 1 317 . 1 1 27 27 THR CB C 13 68.664 0.300 . 1 . . . . 25 T CB . 16402 1 318 . 1 1 27 27 THR CG2 C 13 21.702 0.300 . 1 . . . . 25 T CG2 . 16402 1 319 . 1 1 27 27 THR N N 15 120.727 0.300 . 1 . . . . 25 T N . 16402 1 320 . 1 1 28 28 ARG H H 1 8.527 0.020 . 1 . . . . 26 R HN . 16402 1 321 . 1 1 28 28 ARG HA H 1 4.500 0.020 . 1 . . . . 26 R HA . 16402 1 322 . 1 1 28 28 ARG HB2 H 1 2.380 0.020 . 2 . . . . 26 R HB2 . 16402 1 323 . 1 1 28 28 ARG HB3 H 1 2.261 0.020 . 2 . . . . 26 R HB3 . 16402 1 324 . 1 1 28 28 ARG HD2 H 1 3.589 0.020 . 2 . . . . 26 R HD2 . 16402 1 325 . 1 1 28 28 ARG HD3 H 1 3.553 0.020 . 2 . . . . 26 R HD3 . 16402 1 326 . 1 1 28 28 ARG HG2 H 1 2.085 0.020 . 2 . . . . 26 R HG2 . 16402 1 327 . 1 1 28 28 ARG HG3 H 1 1.807 0.020 . 2 . . . . 26 R HG3 . 16402 1 328 . 1 1 28 28 ARG C C 13 174.408 0.300 . 1 . . . . 26 R C . 16402 1 329 . 1 1 28 28 ARG CA C 13 57.216 0.300 . 1 . . . . 26 R CA . 16402 1 330 . 1 1 28 28 ARG CB C 13 30.474 0.300 . 1 . . . . 26 R CB . 16402 1 331 . 1 1 28 28 ARG CD C 13 43.483 0.300 . 1 . . . . 26 R CD . 16402 1 332 . 1 1 28 28 ARG CG C 13 29.405 0.300 . 1 . . . . 26 R CG . 16402 1 333 . 1 1 28 28 ARG N N 15 123.903 0.300 . 1 . . . . 26 R N . 16402 1 334 . 1 1 29 29 SER H H 1 8.206 0.020 . 1 . . . . 27 S HN . 16402 1 335 . 1 1 29 29 SER HA H 1 4.706 0.020 . 1 . . . . 27 S HA . 16402 1 336 . 1 1 29 29 SER HB2 H 1 4.118 0.020 . 2 . . . . 27 S QB . 16402 1 337 . 1 1 29 29 SER HB3 H 1 4.118 0.020 . 2 . . . . 27 S QB . 16402 1 338 . 1 1 29 29 SER C C 13 174.057 0.300 . 1 . . . . 27 S C . 16402 1 339 . 1 1 29 29 SER CA C 13 58.585 0.300 . 1 . . . . 27 S CA . 16402 1 340 . 1 1 29 29 SER CB C 13 64.993 0.300 . 1 . . . . 27 S CB . 16402 1 341 . 1 1 29 29 SER N N 15 114.833 0.300 . 1 . . . . 27 S N . 16402 1 342 . 1 1 30 30 LEU H H 1 7.921 0.020 . 1 . . . . 28 L HN . 16402 1 343 . 1 1 30 30 LEU HA H 1 3.833 0.020 . 1 . . . . 28 L HA . 16402 1 344 . 1 1 30 30 LEU HB2 H 1 1.677 0.020 . 2 . . . . 28 L HB2 . 16402 1 345 . 1 1 30 30 LEU HB3 H 1 1.590 0.020 . 2 . . . . 28 L HB3 . 16402 1 346 . 1 1 30 30 LEU HD11 H 1 0.896 0.020 . . . . . . 28 L QD1 . 16402 1 347 . 1 1 30 30 LEU HD12 H 1 0.896 0.020 . . . . . . 28 L QD1 . 16402 1 348 . 1 1 30 30 LEU HD13 H 1 0.896 0.020 . . . . . . 28 L QD1 . 16402 1 349 . 1 1 30 30 LEU HD21 H 1 0.636 0.020 . . . . . . 28 L QD2 . 16402 1 350 . 1 1 30 30 LEU HD22 H 1 0.636 0.020 . . . . . . 28 L QD2 . 16402 1 351 . 1 1 30 30 LEU HD23 H 1 0.636 0.020 . . . . . . 28 L QD2 . 16402 1 352 . 1 1 30 30 LEU HG H 1 1.537 0.020 . 1 . . . . 28 L HG . 16402 1 353 . 1 1 30 30 LEU C C 13 177.042 0.300 . 1 . . . . 28 L C . 16402 1 354 . 1 1 30 30 LEU CA C 13 57.247 0.300 . 1 . . . . 28 L CA . 16402 1 355 . 1 1 30 30 LEU CB C 13 40.861 0.300 . 1 . . . . 28 L CB . 16402 1 356 . 1 1 30 30 LEU CD1 C 13 24.889 0.300 . 2 . . . . 28 L CD1 . 16402 1 357 . 1 1 30 30 LEU CD2 C 13 23.030 0.300 . 2 . . . . 28 L CD2 . 16402 1 358 . 1 1 30 30 LEU CG C 13 27.811 0.300 . 1 . . . . 28 L CG . 16402 1 359 . 1 1 30 30 LEU N N 15 116.632 0.300 . 1 . . . . 28 L N . 16402 1 360 . 1 1 31 31 ARG H H 1 7.738 0.020 . 1 . . . . 29 R HN . 16402 1 361 . 1 1 31 31 ARG HA H 1 4.379 0.020 . 1 . . . . 29 R HA . 16402 1 362 . 1 1 31 31 ARG HB2 H 1 2.061 0.020 . 2 . . . . 29 R HB2 . 16402 1 363 . 1 1 31 31 ARG HB3 H 1 1.487 0.020 . 2 . . . . 29 R HB3 . 16402 1 364 . 1 1 31 31 ARG HD2 H 1 3.203 0.020 . 2 . . . . 29 R HD2 . 16402 1 365 . 1 1 31 31 ARG HD3 H 1 3.180 0.020 . 2 . . . . 29 R HD3 . 16402 1 366 . 1 1 31 31 ARG HG2 H 1 1.635 0.020 . 2 . . . . 29 R HG2 . 16402 1 367 . 1 1 31 31 ARG HG3 H 1 1.557 0.020 . 2 . . . . 29 R HG3 . 16402 1 368 . 1 1 31 31 ARG C C 13 174.338 0.300 . 1 . . . . 29 R C . 16402 1 369 . 1 1 31 31 ARG CA C 13 54.260 0.300 . 1 . . . . 29 R CA . 16402 1 370 . 1 1 31 31 ARG CB C 13 28.834 0.300 . 1 . . . . 29 R CB . 16402 1 371 . 1 1 31 31 ARG CD C 13 42.686 0.300 . 1 . . . . 29 R CD . 16402 1 372 . 1 1 31 31 ARG CG C 13 27.280 0.300 . 1 . . . . 29 R CG . 16402 1 373 . 1 1 31 31 ARG N N 15 115.665 0.300 . 1 . . . . 29 R N . 16402 1 374 . 1 1 32 32 CYS H H 1 7.422 0.020 . 1 . . . . 30 C HN . 16402 1 375 . 1 1 32 32 CYS HA H 1 4.435 0.020 . 1 . . . . 30 C HA . 16402 1 376 . 1 1 32 32 CYS HB2 H 1 3.464 0.020 . 2 . . . . 30 C HB2 . 16402 1 377 . 1 1 32 32 CYS HB3 H 1 3.083 0.020 . 2 . . . . 30 C HB3 . 16402 1 378 . 1 1 32 32 CYS CA C 13 56.688 0.300 . 1 . . . . 30 C CA . 16402 1 379 . 1 1 32 32 CYS CB C 13 30.552 0.300 . 1 . . . . 30 C CB . 16402 1 380 . 1 1 32 32 CYS N N 15 127.324 0.300 . 1 . . . . 30 C N . 16402 1 381 . 1 1 33 33 PRO HA H 1 4.768 0.020 . 1 . . . . 31 P HA . 16402 1 382 . 1 1 33 33 PRO HB2 H 1 2.242 0.020 . 2 . . . . 31 P HB2 . 16402 1 383 . 1 1 33 33 PRO HB3 H 1 2.099 0.020 . 2 . . . . 31 P HB3 . 16402 1 384 . 1 1 33 33 PRO HD2 H 1 3.938 0.020 . 2 . . . . 31 P HD2 . 16402 1 385 . 1 1 33 33 PRO HD3 H 1 3.844 0.020 . 2 . . . . 31 P HD3 . 16402 1 386 . 1 1 33 33 PRO HG2 H 1 2.149 0.020 . 2 . . . . 31 P HG2 . 16402 1 387 . 1 1 33 33 PRO HG3 H 1 1.954 0.020 . 2 . . . . 31 P HG3 . 16402 1 388 . 1 1 33 33 PRO C C 13 177.534 0.300 . 1 . . . . 31 P C . 16402 1 389 . 1 1 33 33 PRO CA C 13 63.128 0.300 . 1 . . . . 31 P CA . 16402 1 390 . 1 1 33 33 PRO CB C 13 31.802 0.300 . 1 . . . . 31 P CB . 16402 1 391 . 1 1 33 33 PRO CD C 13 51.185 0.300 . 1 . . . . 31 P CD . 16402 1 392 . 1 1 34 34 GLN H H 1 8.753 0.020 . 1 . . . . 32 Q HN . 16402 1 393 . 1 1 34 34 GLN HA H 1 4.046 0.020 . 1 . . . . 32 Q HA . 16402 1 394 . 1 1 34 34 GLN HB2 H 1 1.529 0.020 . 2 . . . . 32 Q HB2 . 16402 1 395 . 1 1 34 34 GLN HB3 H 1 1.425 0.020 . 2 . . . . 32 Q HB3 . 16402 1 396 . 1 1 34 34 GLN HE21 H 1 7.482 0.020 . 2 . . . . 32 Q HE21 . 16402 1 397 . 1 1 34 34 GLN HE22 H 1 6.890 0.020 . 2 . . . . 32 Q HE22 . 16402 1 398 . 1 1 34 34 GLN HG2 H 1 2.088 0.020 . 2 . . . . 32 Q HG2 . 16402 1 399 . 1 1 34 34 GLN HG3 H 1 1.999 0.020 . 2 . . . . 32 Q HG3 . 16402 1 400 . 1 1 34 34 GLN C C 13 175.128 0.300 . 1 . . . . 32 Q C . 16402 1 401 . 1 1 34 34 GLN CA C 13 57.092 0.300 . 1 . . . . 32 Q CA . 16402 1 402 . 1 1 34 34 GLN CB C 13 29.771 0.300 . 1 . . . . 32 Q CB . 16402 1 403 . 1 1 34 34 GLN CG C 13 33.920 0.300 . 1 . . . . 32 Q CG . 16402 1 404 . 1 1 34 34 GLN N N 15 123.753 0.300 . 1 . . . . 32 Q N . 16402 1 405 . 1 1 34 34 GLN NE2 N 15 112.368 0.300 . 1 . . . . 32 Q NE2 . 16402 1 406 . 1 1 35 35 HIS H H 1 7.573 0.020 . 1 . . . . 33 H HN . 16402 1 407 . 1 1 35 35 HIS HA H 1 5.301 0.020 . 1 . . . . 33 H HA . 16402 1 408 . 1 1 35 35 HIS HB2 H 1 3.086 0.020 . 2 . . . . 33 H HB2 . 16402 1 409 . 1 1 35 35 HIS HB3 H 1 2.867 0.020 . 2 . . . . 33 H HB3 . 16402 1 410 . 1 1 35 35 HIS HD2 H 1 7.272 0.020 . 1 . . . . 33 H HD2 . 16402 1 411 . 1 1 35 35 HIS HE1 H 1 7.912 0.020 . 1 . . . . 33 H HE1 . 16402 1 412 . 1 1 35 35 HIS C C 13 174.057 0.300 . 1 . . . . 33 H C . 16402 1 413 . 1 1 35 35 HIS CA C 13 55.816 0.300 . 1 . . . . 33 H CA . 16402 1 414 . 1 1 35 35 HIS CB C 13 33.832 0.300 . 1 . . . . 33 H CB . 16402 1 415 . 1 1 35 35 HIS CD2 C 13 120.022 0.300 . 1 . . . . 33 H CD2 . 16402 1 416 . 1 1 35 35 HIS CE1 C 13 137.866 0.300 . 1 . . . . 33 H CE1 . 16402 1 417 . 1 1 35 35 HIS N N 15 119.249 0.300 . 1 . . . . 33 H N . 16402 1 418 . 1 1 35 35 HIS ND1 N 15 223.202 0.300 . 1 . . . . 33 H ND1 . 16402 1 419 . 1 1 35 35 HIS NE2 N 15 170.003 0.300 . 1 . . . . 33 H NE2 . 16402 1 420 . 1 1 36 36 THR H H 1 9.036 0.020 . 1 . . . . 34 T HN . 16402 1 421 . 1 1 36 36 THR HA H 1 4.686 0.020 . 1 . . . . 34 T HA . 16402 1 422 . 1 1 36 36 THR HB H 1 4.878 0.020 . 1 . . . . 34 T HB . 16402 1 423 . 1 1 36 36 THR HG21 H 1 1.334 0.020 . . . . . . 34 T QG2 . 16402 1 424 . 1 1 36 36 THR HG22 H 1 1.334 0.020 . . . . . . 34 T QG2 . 16402 1 425 . 1 1 36 36 THR HG23 H 1 1.334 0.020 . . . . . . 34 T QG2 . 16402 1 426 . 1 1 36 36 THR C C 13 176.322 0.300 . 1 . . . . 34 T C . 16402 1 427 . 1 1 36 36 THR CA C 13 59.767 0.300 . 1 . . . . 34 T CA . 16402 1 428 . 1 1 36 36 THR CB C 13 71.788 0.300 . 1 . . . . 34 T CB . 16402 1 429 . 1 1 36 36 THR CG2 C 13 21.702 0.300 . 1 . . . . 34 T CG2 . 16402 1 430 . 1 1 36 36 THR N N 15 112.053 0.300 . 1 . . . . 34 T N . 16402 1 431 . 1 1 37 37 ASP H H 1 9.082 0.020 . 1 . . . . 35 D HN . 16402 1 432 . 1 1 37 37 ASP HA H 1 4.523 0.020 . 1 . . . . 35 D HA . 16402 1 433 . 1 1 37 37 ASP HB2 H 1 2.768 0.020 . 2 . . . . 35 D HB2 . 16402 1 434 . 1 1 37 37 ASP HB3 H 1 2.742 0.020 . 2 . . . . 35 D HB3 . 16402 1 435 . 1 1 37 37 ASP C C 13 179.272 0.300 . 1 . . . . 35 D C . 16402 1 436 . 1 1 37 37 ASP CA C 13 57.496 0.300 . 1 . . . . 35 D CA . 16402 1 437 . 1 1 37 37 ASP CB C 13 39.533 0.300 . 1 . . . . 35 D CB . 16402 1 438 . 1 1 37 37 ASP N N 15 121.600 0.300 . 1 . . . . 35 D N . 16402 1 439 . 1 1 38 38 GLU H H 1 8.611 0.020 . 1 . . . . 36 E HN . 16402 1 440 . 1 1 38 38 GLU HA H 1 4.197 0.020 . 1 . . . . 36 E HA . 16402 1 441 . 1 1 38 38 GLU HB2 H 1 2.158 0.020 . 2 . . . . 36 E HB2 . 16402 1 442 . 1 1 38 38 GLU HB3 H 1 1.976 0.020 . 2 . . . . 36 E HB3 . 16402 1 443 . 1 1 38 38 GLU HG2 H 1 2.372 0.020 . 2 . . . . 36 E HG2 . 16402 1 444 . 1 1 38 38 GLU HG3 H 1 2.311 0.020 . 2 . . . . 36 E HG3 . 16402 1 445 . 1 1 38 38 GLU C C 13 179.184 0.300 . 1 . . . . 36 E C . 16402 1 446 . 1 1 38 38 GLU CA C 13 59.736 0.300 . 1 . . . . 36 E CA . 16402 1 447 . 1 1 38 38 GLU CB C 13 29.068 0.300 . 1 . . . . 36 E CB . 16402 1 448 . 1 1 38 38 GLU CG C 13 33.920 0.300 . 1 . . . . 36 E CG . 16402 1 449 . 1 1 38 38 GLU N N 15 122.485 0.300 . 1 . . . . 36 E N . 16402 1 450 . 1 1 39 39 GLN H H 1 8.076 0.020 . 1 . . . . 37 Q HN . 16402 1 451 . 1 1 39 39 GLN HA H 1 4.074 0.020 . 1 . . . . 37 Q HA . 16402 1 452 . 1 1 39 39 GLN HB2 H 1 2.436 0.020 . 2 . . . . 37 Q HB2 . 16402 1 453 . 1 1 39 39 GLN HB3 H 1 2.302 0.020 . 2 . . . . 37 Q HB3 . 16402 1 454 . 1 1 39 39 GLN HE21 H 1 7.735 0.020 . 2 . . . . 37 Q HE21 . 16402 1 455 . 1 1 39 39 GLN HE22 H 1 7.177 0.020 . 2 . . . . 37 Q HE22 . 16402 1 456 . 1 1 39 39 GLN HG2 H 1 2.617 0.020 . 2 . . . . 37 Q HG2 . 16402 1 457 . 1 1 39 39 GLN HG3 H 1 2.519 0.020 . 2 . . . . 37 Q HG3 . 16402 1 458 . 1 1 39 39 GLN C C 13 175.157 0.300 . 1 . . . . 37 Q C . 16402 1 459 . 1 1 39 39 GLN CA C 13 59.332 0.300 . 1 . . . . 37 Q CA . 16402 1 460 . 1 1 39 39 GLN CB C 13 29.248 0.300 . 1 . . . . 37 Q CB . 16402 1 461 . 1 1 39 39 GLN N N 15 121.232 0.300 . 1 . . . . 37 Q N . 16402 1 462 . 1 1 39 39 GLN NE2 N 15 112.684 0.300 . 1 . . . . 37 Q NE2 . 16402 1 463 . 1 1 40 40 ARG H H 1 8.356 0.020 . 1 . . . . 38 R HN . 16402 1 464 . 1 1 40 40 ARG HA H 1 4.385 0.020 . 1 . . . . 38 R HA . 16402 1 465 . 1 1 40 40 ARG HB2 H 1 2.424 0.020 . 2 . . . . 38 R QB . 16402 1 466 . 1 1 40 40 ARG HB3 H 1 2.424 0.020 . 2 . . . . 38 R QB . 16402 1 467 . 1 1 40 40 ARG HD2 H 1 3.261 0.020 . 2 . . . . 38 R QD . 16402 1 468 . 1 1 40 40 ARG HD3 H 1 3.261 0.020 . 2 . . . . 38 R QD . 16402 1 469 . 1 1 40 40 ARG HE H 1 7.602 0.020 . 1 . . . . 38 R HE . 16402 1 470 . 1 1 40 40 ARG HG2 H 1 1.917 0.020 . 2 . . . . 38 R HG2 . 16402 1 471 . 1 1 40 40 ARG HG3 H 1 1.890 0.020 . 2 . . . . 38 R HG3 . 16402 1 472 . 1 1 40 40 ARG C C 13 179.465 0.300 . 1 . . . . 38 R C . 16402 1 473 . 1 1 40 40 ARG CA C 13 60.483 0.300 . 1 . . . . 38 R CA . 16402 1 474 . 1 1 40 40 ARG CB C 13 30.048 0.300 . 1 . . . . 38 R CB . 16402 1 475 . 1 1 40 40 ARG CZ C 13 159.318 0.300 . 1 . . . . 38 R CZ . 16402 1 476 . 1 1 40 40 ARG N N 15 121.658 0.300 . 1 . . . . 38 R N . 16402 1 477 . 1 1 40 40 ARG NE N 15 110.252 0.300 . 1 . . . . 38 R NE . 16402 1 478 . 1 1 41 41 ARG H H 1 8.619 0.020 . 1 . . . . 39 R HN . 16402 1 479 . 1 1 41 41 ARG HA H 1 4.141 0.020 . 1 . . . . 39 R HA . 16402 1 480 . 1 1 41 41 ARG HB2 H 1 2.054 0.020 . 2 . . . . 39 R QB . 16402 1 481 . 1 1 41 41 ARG HB3 H 1 2.054 0.020 . 2 . . . . 39 R QB . 16402 1 482 . 1 1 41 41 ARG HD2 H 1 3.286 0.020 . 2 . . . . 39 R HD2 . 16402 1 483 . 1 1 41 41 ARG HD3 H 1 3.263 0.020 . 2 . . . . 39 R HD3 . 16402 1 484 . 1 1 41 41 ARG HE H 1 7.694 0.020 . 1 . . . . 39 R HE . 16402 1 485 . 1 1 41 41 ARG HG2 H 1 1.801 0.020 . 2 . . . . 39 R HG2 . 16402 1 486 . 1 1 41 41 ARG HG3 H 1 1.596 0.020 . 2 . . . . 39 R HG3 . 16402 1 487 . 1 1 41 41 ARG C C 13 178.675 0.300 . 1 . . . . 39 R C . 16402 1 488 . 1 1 41 41 ARG CA C 13 60.048 0.300 . 1 . . . . 39 R CA . 16402 1 489 . 1 1 41 41 ARG CB C 13 30.084 0.300 . 1 . . . . 39 R CB . 16402 1 490 . 1 1 41 41 ARG CD C 13 43.217 0.300 . 1 . . . . 39 R CD . 16402 1 491 . 1 1 41 41 ARG CG C 13 27.811 0.300 . 1 . . . . 39 R CG . 16402 1 492 . 1 1 41 41 ARG N N 15 123.685 0.300 . 1 . . . . 39 R N . 16402 1 493 . 1 1 42 42 THR H H 1 8.443 0.020 . 1 . . . . 40 T HN . 16402 1 494 . 1 1 42 42 THR HA H 1 3.883 0.020 . 1 . . . . 40 T HA . 16402 1 495 . 1 1 42 42 THR HB H 1 4.296 0.020 . 1 . . . . 40 T HB . 16402 1 496 . 1 1 42 42 THR HG21 H 1 1.258 0.020 . . . . . . 40 T QG2 . 16402 1 497 . 1 1 42 42 THR HG22 H 1 1.258 0.020 . . . . . . 40 T QG2 . 16402 1 498 . 1 1 42 42 THR HG23 H 1 1.258 0.020 . . . . . . 40 T QG2 . 16402 1 499 . 1 1 42 42 THR C C 13 177.147 0.300 . 1 . . . . 40 T C . 16402 1 500 . 1 1 42 42 THR CA C 13 66.893 0.300 . 1 . . . . 40 T CA . 16402 1 501 . 1 1 42 42 THR CB C 13 68.430 0.300 . 1 . . . . 40 T CB . 16402 1 502 . 1 1 42 42 THR CG2 C 13 21.702 0.300 . 1 . . . . 40 T CG2 . 16402 1 503 . 1 1 42 42 THR N N 15 116.700 0.300 . 1 . . . . 40 T N . 16402 1 504 . 1 1 43 43 VAL H H 1 7.945 0.020 . 1 . . . . 41 V HN . 16402 1 505 . 1 1 43 43 VAL HA H 1 4.208 0.020 . 1 . . . . 41 V HA . 16402 1 506 . 1 1 43 43 VAL HB H 1 2.197 0.020 . 1 . . . . 41 V HB . 16402 1 507 . 1 1 43 43 VAL HG11 H 1 1.303 0.020 . . . . . . 41 V QG1 . 16402 1 508 . 1 1 43 43 VAL HG12 H 1 1.303 0.020 . . . . . . 41 V QG1 . 16402 1 509 . 1 1 43 43 VAL HG13 H 1 1.303 0.020 . . . . . . 41 V QG1 . 16402 1 510 . 1 1 43 43 VAL HG21 H 1 1.172 0.020 . . . . . . 41 V QG2 . 16402 1 511 . 1 1 43 43 VAL HG22 H 1 1.172 0.020 . . . . . . 41 V QG2 . 16402 1 512 . 1 1 43 43 VAL HG23 H 1 1.172 0.020 . . . . . . 41 V QG2 . 16402 1 513 . 1 1 43 43 VAL C C 13 176.445 0.300 . 1 . . . . 41 V C . 16402 1 514 . 1 1 43 43 VAL CA C 13 65.088 0.300 . 1 . . . . 41 V CA . 16402 1 515 . 1 1 43 43 VAL CB C 13 31.177 0.300 . 1 . . . . 41 V CB . 16402 1 516 . 1 1 43 43 VAL CG1 C 13 23.396 0.300 . 2 . . . . 41 V CG1 . 16402 1 517 . 1 1 43 43 VAL CG2 C 13 20.374 0.300 . 2 . . . . 41 V CG2 . 16402 1 518 . 1 1 43 43 VAL N N 15 122.036 0.300 . 1 . . . . 41 V N . 16402 1 519 . 1 1 44 44 ARG H H 1 7.061 0.020 . 1 . . . . 42 R HN . 16402 1 520 . 1 1 44 44 ARG HA H 1 4.073 0.020 . 1 . . . . 42 R HA . 16402 1 521 . 1 1 44 44 ARG HB2 H 1 1.836 0.020 . 2 . . . . 42 R QB . 16402 1 522 . 1 1 44 44 ARG HB3 H 1 1.836 0.020 . 2 . . . . 42 R QB . 16402 1 523 . 1 1 44 44 ARG HD2 H 1 3.364 0.020 . 2 . . . . 42 R HD2 . 16402 1 524 . 1 1 44 44 ARG HD3 H 1 3.196 0.020 . 2 . . . . 42 R HD3 . 16402 1 525 . 1 1 44 44 ARG HE H 1 7.327 0.020 . 1 . . . . 42 R HE . 16402 1 526 . 1 1 44 44 ARG HG2 H 1 2.010 0.020 . 2 . . . . 42 R QG . 16402 1 527 . 1 1 44 44 ARG HG3 H 1 2.010 0.020 . 2 . . . . 42 R QG . 16402 1 528 . 1 1 44 44 ARG C C 13 177.797 0.300 . 1 . . . . 42 R C . 16402 1 529 . 1 1 44 44 ARG CA C 13 60.794 0.300 . 1 . . . . 42 R CA . 16402 1 530 . 1 1 44 44 ARG CB C 13 28.209 0.300 . 1 . . . . 42 R CB . 16402 1 531 . 1 1 44 44 ARG CZ C 13 158.950 0.300 . 1 . . . . 42 R CZ . 16402 1 532 . 1 1 44 44 ARG N N 15 122.881 0.300 . 1 . . . . 42 R N . 16402 1 533 . 1 1 44 44 ARG NE N 15 111.221 0.300 . 1 . . . . 42 R NE . 16402 1 534 . 1 1 45 45 ILE H H 1 8.094 0.020 . 1 . . . . 43 I HN . 16402 1 535 . 1 1 45 45 ILE HA H 1 3.737 0.020 . 1 . . . . 43 I HA . 16402 1 536 . 1 1 45 45 ILE HB H 1 2.144 0.020 . 1 . . . . 43 I HB . 16402 1 537 . 1 1 45 45 ILE HG12 H 1 1.072 0.020 . . . . . . 43 I QG1 . 16402 1 538 . 1 1 45 45 ILE HG13 H 1 1.072 0.020 . . . . . . 43 I QG1 . 16402 1 539 . 1 1 45 45 ILE HG21 H 1 0.891 0.020 . . . . . . 43 I QG2 . 16402 1 540 . 1 1 45 45 ILE HG22 H 1 0.891 0.020 . . . . . . 43 I QG2 . 16402 1 541 . 1 1 45 45 ILE HG23 H 1 0.891 0.020 . . . . . . 43 I QG2 . 16402 1 542 . 1 1 45 45 ILE C C 13 179.011 0.300 . 1 . . . . 43 I C . 16402 1 543 . 1 1 45 45 ILE CA C 13 65.928 0.300 . 1 . . . . 43 I CA . 16402 1 544 . 1 1 45 45 ILE CB C 13 31.530 0.300 . 1 . . . . 43 I CB . 16402 1 545 . 1 1 45 45 ILE CG1 C 13 23.030 0.300 . 1 . . . . 43 I CG1 . 16402 1 546 . 1 1 45 45 ILE CG2 C 13 21.171 0.300 . 1 . . . . 43 I CG2 . 16402 1 547 . 1 1 45 45 ILE N N 15 121.531 0.300 . 1 . . . . 43 I N . 16402 1 548 . 1 1 46 46 TYR H H 1 7.997 0.020 . 1 . . . . 44 Y HN . 16402 1 549 . 1 1 46 46 TYR HA H 1 4.091 0.020 . 1 . . . . 44 Y HA . 16402 1 550 . 1 1 46 46 TYR HB2 H 1 3.044 0.020 . 2 . . . . 44 Y HB2 . 16402 1 551 . 1 1 46 46 TYR HB3 H 1 2.980 0.020 . 2 . . . . 44 Y HB3 . 16402 1 552 . 1 1 46 46 TYR HD1 H 1 6.317 0.020 . 3 . . . . 44 Y QD . 16402 1 553 . 1 1 46 46 TYR HD2 H 1 6.317 0.020 . 3 . . . . 44 Y QD . 16402 1 554 . 1 1 46 46 TYR HE1 H 1 6.500 0.020 . 3 . . . . 44 Y QE . 16402 1 555 . 1 1 46 46 TYR HE2 H 1 6.500 0.020 . 3 . . . . 44 Y QE . 16402 1 556 . 1 1 46 46 TYR C C 13 177.340 0.300 . 1 . . . . 44 Y C . 16402 1 557 . 1 1 46 46 TYR CA C 13 61.199 0.300 . 1 . . . . 44 Y CA . 16402 1 558 . 1 1 46 46 TYR CB C 13 37.737 0.300 . 1 . . . . 44 Y CB . 16402 1 559 . 1 1 46 46 TYR CD1 C 13 132.863 0.300 . 3 . . . . 44 Y CD1 . 16402 1 560 . 1 1 46 46 TYR CD2 C 13 132.863 0.300 . 3 . . . . 44 Y CD2 . 16402 1 561 . 1 1 46 46 TYR CE1 C 13 118.238 0.300 . 3 . . . . 44 Y CE1 . 16402 1 562 . 1 1 46 46 TYR CE2 C 13 118.238 0.300 . 3 . . . . 44 Y CE2 . 16402 1 563 . 1 1 46 46 TYR N N 15 121.313 0.300 . 1 . . . . 44 Y N . 16402 1 564 . 1 1 47 47 PHE H H 1 7.981 0.020 . 1 . . . . 45 F HN . 16402 1 565 . 1 1 47 47 PHE HA H 1 4.453 0.020 . 1 . . . . 45 F HA . 16402 1 566 . 1 1 47 47 PHE HB2 H 1 3.112 0.020 . 2 . . . . 45 F HB2 . 16402 1 567 . 1 1 47 47 PHE HB3 H 1 2.799 0.020 . 2 . . . . 45 F HB3 . 16402 1 568 . 1 1 47 47 PHE HD1 H 1 7.379 0.020 . 3 . . . . 45 F QD . 16402 1 569 . 1 1 47 47 PHE HD2 H 1 7.379 0.020 . 3 . . . . 45 F QD . 16402 1 570 . 1 1 47 47 PHE HE1 H 1 7.342 0.020 . 3 . . . . 45 F QE . 16402 1 571 . 1 1 47 47 PHE HE2 H 1 7.342 0.020 . 3 . . . . 45 F QE . 16402 1 572 . 1 1 47 47 PHE HZ H 1 7.384 0.020 . 1 . . . . 45 F HZ . 16402 1 573 . 1 1 47 47 PHE C C 13 177.393 0.300 . 1 . . . . 45 F C . 16402 1 574 . 1 1 47 47 PHE CA C 13 60.763 0.300 . 1 . . . . 45 F CA . 16402 1 575 . 1 1 47 47 PHE CB C 13 40.783 0.300 . 1 . . . . 45 F CB . 16402 1 576 . 1 1 47 47 PHE N N 15 114.383 0.300 . 1 . . . . 45 F N . 16402 1 577 . 1 1 48 48 LEU H H 1 8.649 0.020 . 1 . . . . 46 L HN . 16402 1 578 . 1 1 48 48 LEU HA H 1 4.602 0.020 . 1 . . . . 46 L HA . 16402 1 579 . 1 1 48 48 LEU HB2 H 1 2.017 0.020 . 2 . . . . 46 L HB2 . 16402 1 580 . 1 1 48 48 LEU HB3 H 1 1.675 0.020 . 2 . . . . 46 L HB3 . 16402 1 581 . 1 1 48 48 LEU HD11 H 1 0.951 0.020 . . . . . . 46 L QD1 . 16402 1 582 . 1 1 48 48 LEU HD12 H 1 0.951 0.020 . . . . . . 46 L QD1 . 16402 1 583 . 1 1 48 48 LEU HD13 H 1 0.951 0.020 . . . . . . 46 L QD1 . 16402 1 584 . 1 1 48 48 LEU HD21 H 1 0.853 0.020 . . . . . . 46 L QD2 . 16402 1 585 . 1 1 48 48 LEU HD22 H 1 0.853 0.020 . . . . . . 46 L QD2 . 16402 1 586 . 1 1 48 48 LEU HD23 H 1 0.853 0.020 . . . . . . 46 L QD2 . 16402 1 587 . 1 1 48 48 LEU HG H 1 1.575 0.020 . 1 . . . . 46 L HG . 16402 1 588 . 1 1 48 48 LEU C C 13 178.008 0.300 . 1 . . . . 46 L C . 16402 1 589 . 1 1 48 48 LEU CA C 13 54.696 0.300 . 1 . . . . 46 L CA . 16402 1 590 . 1 1 48 48 LEU CB C 13 42.423 0.300 . 1 . . . . 46 L CB . 16402 1 591 . 1 1 48 48 LEU N N 15 117.232 0.300 . 1 . . . . 46 L N . 16402 1 592 . 1 1 49 49 GLY H H 1 7.884 0.020 . 1 . . . . 47 G HN . 16402 1 593 . 1 1 49 49 GLY HA2 H 1 4.070 0.020 . . . . . . 47 G HA1 . 16402 1 594 . 1 1 49 49 GLY HA3 H 1 4.370 0.020 . 2 . . . . 47 G HA2 . 16402 1 595 . 1 1 49 49 GLY CA C 13 44.771 0.300 . 1 . . . . 47 G CA . 16402 1 596 . 1 1 49 49 GLY N N 15 110.688 0.300 . 1 . . . . 47 G N . 16402 1 597 . 1 1 50 50 PRO HA H 1 4.392 0.020 . 1 . . . . 48 P HA . 16402 1 598 . 1 1 50 50 PRO HB2 H 1 2.335 0.020 . 2 . . . . 48 P QB . 16402 1 599 . 1 1 50 50 PRO HB3 H 1 2.335 0.020 . 2 . . . . 48 P QB . 16402 1 600 . 1 1 50 50 PRO HD2 H 1 3.761 0.020 . 2 . . . . 48 P HD2 . 16402 1 601 . 1 1 50 50 PRO HD3 H 1 3.656 0.020 . 2 . . . . 48 P HD3 . 16402 1 602 . 1 1 50 50 PRO HG2 H 1 2.061 0.020 . 2 . . . . 48 P HG2 . 16402 1 603 . 1 1 50 50 PRO HG3 H 1 2.035 0.020 . 2 . . . . 48 P HG3 . 16402 1 604 . 1 1 50 50 PRO C C 13 177.762 0.300 . 1 . . . . 48 P C . 16402 1 605 . 1 1 50 50 PRO CA C 13 64.279 0.300 . 1 . . . . 48 P CA . 16402 1 606 . 1 1 50 50 PRO CB C 13 31.802 0.300 . 1 . . . . 48 P CB . 16402 1 607 . 1 1 50 50 PRO CD C 13 49.592 0.300 . 1 . . . . 48 P CD . 16402 1 608 . 1 1 50 50 PRO CG C 13 27.280 0.300 . 1 . . . . 48 P CG . 16402 1 609 . 1 1 51 51 SER H H 1 8.353 0.020 . 1 . . . . 49 S HN . 16402 1 610 . 1 1 51 51 SER HA H 1 4.454 0.020 . 1 . . . . 49 S HA . 16402 1 611 . 1 1 51 51 SER HB2 H 1 3.935 0.020 . 2 . . . . 49 S QB . 16402 1 612 . 1 1 51 51 SER HB3 H 1 3.935 0.020 . 2 . . . . 49 S QB . 16402 1 613 . 1 1 51 51 SER C C 13 174.302 0.300 . 1 . . . . 49 S C . 16402 1 614 . 1 1 51 51 SER CA C 13 58.554 0.300 . 1 . . . . 49 S CA . 16402 1 615 . 1 1 51 51 SER CB C 13 63.041 0.300 . 1 . . . . 49 S CB . 16402 1 616 . 1 1 51 51 SER N N 15 114.683 0.300 . 1 . . . . 49 S N . 16402 1 617 . 1 1 52 52 ALA H H 1 7.808 0.020 . 1 . . . . 50 A HN . 16402 1 618 . 1 1 52 52 ALA HA H 1 4.176 0.020 . 1 . . . . 50 A HA . 16402 1 619 . 1 1 52 52 ALA HB1 H 1 1.346 0.020 . . . . . . 50 A QB . 16402 1 620 . 1 1 52 52 ALA HB2 H 1 1.346 0.020 . . . . . . 50 A QB . 16402 1 621 . 1 1 52 52 ALA HB3 H 1 1.346 0.020 . . . . . . 50 A QB . 16402 1 622 . 1 1 52 52 ALA C C 13 177.200 0.300 . 1 . . . . 50 A C . 16402 1 623 . 1 1 52 52 ALA CA C 13 52.922 0.300 . 1 . . . . 50 A CA . 16402 1 624 . 1 1 52 52 ALA CB C 13 19.931 0.300 . 1 . . . . 50 A CB . 16402 1 625 . 1 1 52 52 ALA N N 15 125.443 0.300 . 1 . . . . 50 A N . 16402 1 626 . 1 1 53 53 VAL H H 1 7.815 0.020 . 1 . . . . 51 V HN . 16402 1 627 . 1 1 53 53 VAL HA H 1 4.225 0.020 . 1 . . . . 51 V HA . 16402 1 628 . 1 1 53 53 VAL HB H 1 2.110 0.020 . 1 . . . . 51 V HB . 16402 1 629 . 1 1 53 53 VAL HG11 H 1 0.923 0.020 . . . . . . 51 V QQG . 16402 1 630 . 1 1 53 53 VAL HG12 H 1 0.923 0.020 . . . . . . 51 V QQG . 16402 1 631 . 1 1 53 53 VAL HG13 H 1 0.923 0.020 . . . . . . 51 V QQG . 16402 1 632 . 1 1 53 53 VAL HG21 H 1 0.923 0.020 . . . . . . 51 V QQG . 16402 1 633 . 1 1 53 53 VAL HG22 H 1 0.923 0.020 . . . . . . 51 V QQG . 16402 1 634 . 1 1 53 53 VAL HG23 H 1 0.923 0.020 . . . . . . 51 V QQG . 16402 1 635 . 1 1 53 53 VAL C C 13 175.620 0.300 . 1 . . . . 51 V C . 16402 1 636 . 1 1 53 53 VAL CA C 13 61.323 0.300 . 1 . . . . 51 V CA . 16402 1 637 . 1 1 53 53 VAL CB C 13 32.973 0.300 . 1 . . . . 51 V CB . 16402 1 638 . 1 1 53 53 VAL CG1 C 13 20.905 0.300 . 2 . . . . 51 V CG1 . 16402 1 639 . 1 1 53 53 VAL CG2 C 13 20.905 0.300 . 2 . . . . 51 V CG2 . 16402 1 640 . 1 1 53 53 VAL N N 15 118.118 0.300 . 1 . . . . 51 V N . 16402 1 641 . 1 1 54 54 LEU H H 1 8.315 0.020 . 1 . . . . 52 L HN . 16402 1 642 . 1 1 54 54 LEU HA H 1 4.659 0.020 . 1 . . . . 52 L HA . 16402 1 643 . 1 1 54 54 LEU HB2 H 1 1.624 0.020 . 2 . . . . 52 L QB . 16402 1 644 . 1 1 54 54 LEU HB3 H 1 1.624 0.020 . 2 . . . . 52 L QB . 16402 1 645 . 1 1 54 54 LEU HD11 H 1 0.964 0.020 . . . . . . 52 L QD1 . 16402 1 646 . 1 1 54 54 LEU HD12 H 1 0.964 0.020 . . . . . . 52 L QD1 . 16402 1 647 . 1 1 54 54 LEU HD13 H 1 0.964 0.020 . . . . . . 52 L QD1 . 16402 1 648 . 1 1 54 54 LEU HD21 H 1 0.922 0.020 . . . . . . 52 L QD2 . 16402 1 649 . 1 1 54 54 LEU HD22 H 1 0.922 0.020 . . . . . . 52 L QD2 . 16402 1 650 . 1 1 54 54 LEU HD23 H 1 0.922 0.020 . . . . . . 52 L QD2 . 16402 1 651 . 1 1 54 54 LEU HG H 1 1.713 0.020 . 1 . . . . 52 L HG . 16402 1 652 . 1 1 54 54 LEU CA C 13 52.768 0.300 . 1 . . . . 52 L CA . 16402 1 653 . 1 1 54 54 LEU CB C 13 41.408 0.300 . 1 . . . . 52 L CB . 16402 1 654 . 1 1 54 54 LEU CD1 C 13 23.561 0.300 . 2 . . . . 52 L CD1 . 16402 1 655 . 1 1 54 54 LEU CD2 C 13 25.421 0.300 . 2 . . . . 52 L CD2 . 16402 1 656 . 1 1 54 54 LEU CG C 13 27.280 0.300 . 1 . . . . 52 L CG . 16402 1 657 . 1 1 54 54 LEU N N 15 127.596 0.300 . 1 . . . . 52 L N . 16402 1 658 . 1 1 55 55 PRO HA H 1 4.452 0.020 . 1 . . . . 53 P HA . 16402 1 659 . 1 1 55 55 PRO HB2 H 1 2.333 0.020 . 2 . . . . 53 P HB2 . 16402 1 660 . 1 1 55 55 PRO HB3 H 1 1.922 0.020 . 2 . . . . 53 P HB3 . 16402 1 661 . 1 1 55 55 PRO HD2 H 1 3.879 0.020 . 2 . . . . 53 P HD2 . 16402 1 662 . 1 1 55 55 PRO HD3 H 1 3.640 0.020 . 2 . . . . 53 P HD3 . 16402 1 663 . 1 1 55 55 PRO HG2 H 1 2.066 0.020 . 2 . . . . 53 P HG2 . 16402 1 664 . 1 1 55 55 PRO HG3 H 1 2.035 0.020 . 2 . . . . 53 P HG3 . 16402 1 665 . 1 1 55 55 PRO C C 13 176.515 0.300 . 1 . . . . 53 P C . 16402 1 666 . 1 1 55 55 PRO CA C 13 63.035 0.300 . 1 . . . . 53 P CA . 16402 1 667 . 1 1 55 55 PRO CB C 13 31.958 0.300 . 1 . . . . 53 P CB . 16402 1 668 . 1 1 55 55 PRO CD C 13 50.389 0.300 . 1 . . . . 53 P CD . 16402 1 669 . 1 1 55 55 PRO CG C 13 27.280 0.300 . 1 . . . . 53 P CG . 16402 1 670 . 1 1 56 56 GLU H H 1 8.505 0.020 . 1 . . . . 54 E HN . 16402 1 671 . 1 1 56 56 GLU HA H 1 4.301 0.020 . 1 . . . . 54 E HA . 16402 1 672 . 1 1 56 56 GLU HB2 H 1 2.050 0.020 . 2 . . . . 54 E HB2 . 16402 1 673 . 1 1 56 56 GLU HB3 H 1 1.949 0.020 . 2 . . . . 54 E HB3 . 16402 1 674 . 1 1 56 56 GLU HG2 H 1 2.328 0.020 . 2 . . . . 54 E HG2 . 16402 1 675 . 1 1 56 56 GLU HG3 H 1 2.247 0.020 . 2 . . . . 54 E HG3 . 16402 1 676 . 1 1 56 56 GLU C C 13 176.585 0.300 . 1 . . . . 54 E C . 16402 1 677 . 1 1 56 56 GLU CA C 13 56.500 0.300 . 1 . . . . 54 E CA . 16402 1 678 . 1 1 56 56 GLU CB C 13 30.240 0.300 . 1 . . . . 54 E CB . 16402 1 679 . 1 1 56 56 GLU CG C 13 36.311 0.300 . 1 . . . . 54 E CG . 16402 1 680 . 1 1 56 56 GLU N N 15 121.518 0.300 . 1 . . . . 54 E N . 16402 1 681 . 1 1 57 57 VAL H H 1 8.203 0.020 . 1 . . . . 55 V HN . 16402 1 682 . 1 1 57 57 VAL HA H 1 4.150 0.020 . 1 . . . . 55 V HA . 16402 1 683 . 1 1 57 57 VAL HB H 1 2.095 0.020 . 1 . . . . 55 V HB . 16402 1 684 . 1 1 57 57 VAL HG11 H 1 0.951 0.020 . . . . . . 55 V QQG . 16402 1 685 . 1 1 57 57 VAL HG12 H 1 0.951 0.020 . . . . . . 55 V QQG . 16402 1 686 . 1 1 57 57 VAL HG13 H 1 0.951 0.020 . . . . . . 55 V QQG . 16402 1 687 . 1 1 57 57 VAL HG21 H 1 0.951 0.020 . . . . . . 55 V QQG . 16402 1 688 . 1 1 57 57 VAL HG22 H 1 0.951 0.020 . . . . . . 55 V QQG . 16402 1 689 . 1 1 57 57 VAL HG23 H 1 0.951 0.020 . . . . . . 55 V QQG . 16402 1 690 . 1 1 57 57 VAL C C 13 176.129 0.300 . 1 . . . . 55 V C . 16402 1 691 . 1 1 57 57 VAL CA C 13 62.101 0.300 . 1 . . . . 55 V CA . 16402 1 692 . 1 1 57 57 VAL CB C 13 32.895 0.300 . 1 . . . . 55 V CB . 16402 1 693 . 1 1 57 57 VAL CG1 C 13 20.905 0.300 . 2 . . . . 55 V CG1 . 16402 1 694 . 1 1 57 57 VAL CG2 C 13 20.905 0.300 . 2 . . . . 55 V CG2 . 16402 1 695 . 1 1 57 57 VAL N N 15 121.722 0.300 . 1 . . . . 55 V N . 16402 1 696 . 1 1 58 58 GLU H H 1 8.559 0.020 . 1 . . . . 56 E HN . 16402 1 697 . 1 1 58 58 GLU HA H 1 4.327 0.020 . 1 . . . . 56 E HA . 16402 1 698 . 1 1 58 58 GLU HB2 H 1 2.090 0.020 . 2 . . . . 56 E HB2 . 16402 1 699 . 1 1 58 58 GLU HB3 H 1 1.984 0.020 . 2 . . . . 56 E HB3 . 16402 1 700 . 1 1 58 58 GLU HG2 H 1 2.308 0.020 . 2 . . . . 56 E HG2 . 16402 1 701 . 1 1 58 58 GLU HG3 H 1 2.275 0.020 . 2 . . . . 56 E HG3 . 16402 1 702 . 1 1 58 58 GLU C C 13 176.498 0.300 . 1 . . . . 56 E C . 16402 1 703 . 1 1 58 58 GLU CA C 13 56.718 0.300 . 1 . . . . 56 E CA . 16402 1 704 . 1 1 58 58 GLU CB C 13 30.240 0.300 . 1 . . . . 56 E CB . 16402 1 705 . 1 1 58 58 GLU CG C 13 36.311 0.300 . 1 . . . . 56 E CG . 16402 1 706 . 1 1 58 58 GLU N N 15 125.511 0.300 . 1 . . . . 56 E N . 16402 1 707 . 1 1 59 59 SER H H 1 8.412 0.020 . 1 . . . . 57 S HN . 16402 1 708 . 1 1 59 59 SER HA H 1 4.500 0.020 . 1 . . . . 57 S HA . 16402 1 709 . 1 1 59 59 SER HB2 H 1 3.920 0.020 . 2 . . . . 57 S HB2 . 16402 1 710 . 1 1 59 59 SER HB3 H 1 3.876 0.020 . 2 . . . . 57 S HB3 . 16402 1 711 . 1 1 59 59 SER C C 13 174.583 0.300 . 1 . . . . 57 S C . 16402 1 712 . 1 1 59 59 SER CA C 13 58.367 0.300 . 1 . . . . 57 S CA . 16402 1 713 . 1 1 59 59 SER CB C 13 63.666 0.300 . 1 . . . . 57 S CB . 16402 1 714 . 1 1 59 59 SER N N 15 117.954 0.300 . 1 . . . . 57 S N . 16402 1 715 . 1 1 60 60 SER H H 1 8.446 0.020 . 1 . . . . 58 S HN . 16402 1 716 . 1 1 60 60 SER HA H 1 4.501 0.020 . 1 . . . . 58 S HA . 16402 1 717 . 1 1 60 60 SER HB2 H 1 3.888 0.020 . 2 . . . . 58 S HB2 . 16402 1 718 . 1 1 60 60 SER HB3 H 1 3.936 0.020 . 2 . . . . 58 S HB3 . 16402 1 719 . 1 1 60 60 SER C C 13 174.531 0.300 . 1 . . . . 58 S C . 16402 1 720 . 1 1 60 60 SER CA C 13 58.336 0.300 . 1 . . . . 58 S CA . 16402 1 721 . 1 1 60 60 SER CB C 13 63.569 0.300 . 1 . . . . 58 S CB . 16402 1 722 . 1 1 60 60 SER N N 15 118.881 0.300 . 1 . . . . 58 S N . 16402 1 723 . 1 1 61 61 LEU H H 1 8.277 0.020 . 1 . . . . 59 L HN . 16402 1 724 . 1 1 61 61 LEU HA H 1 4.383 0.020 . 1 . . . . 59 L HA . 16402 1 725 . 1 1 61 61 LEU HB2 H 1 1.663 0.020 . 2 . . . . 59 L HB2 . 16402 1 726 . 1 1 61 61 LEU HB3 H 1 1.611 0.020 . 2 . . . . 59 L HB3 . 16402 1 727 . 1 1 61 61 LEU HD11 H 1 0.940 0.020 . . . . . . 59 L QD1 . 16402 1 728 . 1 1 61 61 LEU HD12 H 1 0.940 0.020 . . . . . . 59 L QD1 . 16402 1 729 . 1 1 61 61 LEU HD13 H 1 0.940 0.020 . . . . . . 59 L QD1 . 16402 1 730 . 1 1 61 61 LEU HD21 H 1 0.889 0.020 . . . . . . 59 L QD2 . 16402 1 731 . 1 1 61 61 LEU HD22 H 1 0.889 0.020 . . . . . . 59 L QD2 . 16402 1 732 . 1 1 61 61 LEU HD23 H 1 0.889 0.020 . . . . . . 59 L QD2 . 16402 1 733 . 1 1 61 61 LEU HG H 1 1.640 0.020 . 1 . . . . 59 L HG . 16402 1 734 . 1 1 61 61 LEU C C 13 177.112 0.300 . 1 . . . . 59 L C . 16402 1 735 . 1 1 61 61 LEU CA C 13 55.256 0.300 . 1 . . . . 59 L CA . 16402 1 736 . 1 1 61 61 LEU CB C 13 42.267 0.300 . 1 . . . . 59 L CB . 16402 1 737 . 1 1 61 61 LEU CD1 C 13 25.686 0.300 . 2 . . . . 59 L CD1 . 16402 1 738 . 1 1 61 61 LEU CD2 C 13 24.358 0.300 . 2 . . . . 59 L CD2 . 16402 1 739 . 1 1 61 61 LEU CG C 13 26.749 0.300 . 1 . . . . 59 L CG . 16402 1 740 . 1 1 61 61 LEU N N 15 124.516 0.300 . 1 . . . . 59 L N . 16402 1 741 . 1 1 62 62 ASP H H 1 8.282 0.020 . 1 . . . . 60 D HN . 16402 1 742 . 1 1 62 62 ASP HA H 1 4.615 0.020 . 1 . . . . 60 D HA . 16402 1 743 . 1 1 62 62 ASP HB2 H 1 2.743 0.020 . 2 . . . . 60 D HB2 . 16402 1 744 . 1 1 62 62 ASP HB3 H 1 2.622 0.020 . 2 . . . . 60 D HB3 . 16402 1 745 . 1 1 62 62 ASP C C 13 176.006 0.300 . 1 . . . . 60 D C . 16402 1 746 . 1 1 62 62 ASP CA C 13 54.291 0.300 . 1 . . . . 60 D CA . 16402 1 747 . 1 1 62 62 ASP CB C 13 40.939 0.300 . 1 . . . . 60 D CB . 16402 1 748 . 1 1 62 62 ASP N N 15 121.286 0.300 . 1 . . . . 60 D N . 16402 1 749 . 1 1 63 63 ASN H H 1 8.308 0.020 . 1 . . . . 61 N HN . 16402 1 750 . 1 1 63 63 ASN HA H 1 4.705 0.020 . 1 . . . . 61 N HA . 16402 1 751 . 1 1 63 63 ASN HB2 H 1 2.845 0.020 . 2 . . . . 61 N HB2 . 16402 1 752 . 1 1 63 63 ASN HB3 H 1 2.768 0.020 . 2 . . . . 61 N HB3 . 16402 1 753 . 1 1 63 63 ASN HD21 H 1 7.632 0.020 . 2 . . . . 61 N HD21 . 16402 1 754 . 1 1 63 63 ASN HD22 H 1 6.918 0.020 . 2 . . . . 61 N HD22 . 16402 1 755 . 1 1 63 63 ASN C C 13 180.050 0.300 . 1 . . . . 61 N C . 16402 1 756 . 1 1 63 63 ASN CA C 13 53.482 0.300 . 1 . . . . 61 N CA . 16402 1 757 . 1 1 63 63 ASN CB C 13 38.987 0.300 . 1 . . . . 61 N CB . 16402 1 758 . 1 1 63 63 ASN N N 15 119.808 0.300 . 1 . . . . 61 N N . 16402 1 759 . 1 1 63 63 ASN ND2 N 15 113.636 0.300 . 1 . . . . 61 N ND2 . 16402 1 760 . 1 1 64 64 ASP H H 1 8.391 0.020 . 1 . . . . 62 D HN . 16402 1 761 . 1 1 64 64 ASP HA H 1 4.628 0.020 . 1 . . . . 62 D HA . 16402 1 762 . 1 1 64 64 ASP HB2 H 1 2.677 0.020 . 2 . . . . 62 D QB . 16402 1 763 . 1 1 64 64 ASP HB3 H 1 2.677 0.020 . 2 . . . . 62 D QB . 16402 1 764 . 1 1 64 64 ASP C C 13 176.339 0.300 . 1 . . . . 62 D C . 16402 1 765 . 1 1 64 64 ASP CA C 13 54.602 0.300 . 1 . . . . 62 D CA . 16402 1 766 . 1 1 64 64 ASP CB C 13 40.939 0.300 . 1 . . . . 62 D CB . 16402 1 767 . 1 1 64 64 ASP N N 15 121.395 0.300 . 1 . . . . 62 D N . 16402 1 768 . 1 1 65 65 SER H H 1 8.131 0.020 . 1 . . . . 63 S HN . 16402 1 769 . 1 1 65 65 SER HA H 1 4.419 0.020 . 1 . . . . 63 S HA . 16402 1 770 . 1 1 65 65 SER HB2 H 1 3.825 0.020 . 2 . . . . 63 S QB . 16402 1 771 . 1 1 65 65 SER HB3 H 1 3.825 0.020 . 2 . . . . 63 S QB . 16402 1 772 . 1 1 65 65 SER C C 13 174.267 0.300 . 1 . . . . 63 S C . 16402 1 773 . 1 1 65 65 SER CA C 13 58.461 0.300 . 1 . . . . 63 S CA . 16402 1 774 . 1 1 65 65 SER CB C 13 63.588 0.300 . 1 . . . . 63 S CB . 16402 1 775 . 1 1 65 65 SER N N 15 116.142 0.300 . 1 . . . . 63 S N . 16402 1 776 . 1 1 66 66 PHE H H 1 8.179 0.020 . 1 . . . . 64 F HN . 16402 1 777 . 1 1 66 66 PHE HA H 1 4.622 0.020 . 1 . . . . 64 F HA . 16402 1 778 . 1 1 66 66 PHE HB2 H 1 3.170 0.020 . 2 . . . . 64 F HB2 . 16402 1 779 . 1 1 66 66 PHE HB3 H 1 3.053 0.020 . 2 . . . . 64 F HB3 . 16402 1 780 . 1 1 66 66 PHE HD1 H 1 7.258 0.020 . 3 . . . . 64 F QD . 16402 1 781 . 1 1 66 66 PHE HD2 H 1 7.258 0.020 . 3 . . . . 64 F QD . 16402 1 782 . 1 1 66 66 PHE HE1 H 1 7.357 0.020 . 3 . . . . 64 F QE . 16402 1 783 . 1 1 66 66 PHE HE2 H 1 7.357 0.020 . 3 . . . . 64 F QE . 16402 1 784 . 1 1 66 66 PHE HZ H 1 7.302 0.020 . 1 . . . . 64 F HZ . 16402 1 785 . 1 1 66 66 PHE C C 13 175.216 0.300 . 1 . . . . 64 F C . 16402 1 786 . 1 1 66 66 PHE CA C 13 57.745 0.300 . 1 . . . . 64 F CA . 16402 1 787 . 1 1 66 66 PHE CB C 13 39.377 0.300 . 1 . . . . 64 F CB . 16402 1 788 . 1 1 66 66 PHE N N 15 122.731 0.300 . 1 . . . . 64 F N . 16402 1 789 . 1 1 67 67 ASP H H 1 8.312 0.020 . 1 . . . . 65 D HN . 16402 1 790 . 1 1 67 67 ASP HA H 1 4.604 0.020 . 1 . . . . 65 D HA . 16402 1 791 . 1 1 67 67 ASP HB2 H 1 2.734 0.020 . 2 . . . . 65 D HB2 . 16402 1 792 . 1 1 67 67 ASP HB3 H 1 2.604 0.020 . 2 . . . . 65 D HB3 . 16402 1 793 . 1 1 67 67 ASP C C 13 176.162 0.300 . 1 . . . . 65 D C . 16402 1 794 . 1 1 67 67 ASP CA C 13 54.105 0.300 . 1 . . . . 65 D CA . 16402 1 795 . 1 1 67 67 ASP CB C 13 41.017 0.300 . 1 . . . . 65 D CB . 16402 1 796 . 1 1 67 67 ASP N N 15 122.663 0.300 . 1 . . . . 65 D N . 16402 1 797 . 1 1 68 68 MET H H 1 8.375 0.020 . 1 . . . . 66 M HN . 16402 1 798 . 1 1 68 68 MET HA H 1 4.535 0.020 . 1 . . . . 66 M HA . 16402 1 799 . 1 1 68 68 MET HB2 H 1 2.183 0.020 . 2 . . . . 66 M HB2 . 16402 1 800 . 1 1 68 68 MET HB3 H 1 2.051 0.020 . 2 . . . . 66 M HB3 . 16402 1 801 . 1 1 68 68 MET HE1 H 1 2.115 0.020 . . . . . . 66 M QE . 16402 1 802 . 1 1 68 68 MET HE2 H 1 2.115 0.020 . . . . . . 66 M QE . 16402 1 803 . 1 1 68 68 MET HE3 H 1 2.115 0.020 . . . . . . 66 M QE . 16402 1 804 . 1 1 68 68 MET HG2 H 1 2.650 0.020 . 2 . . . . 66 M HG2 . 16402 1 805 . 1 1 68 68 MET HG3 H 1 2.565 0.020 . 2 . . . . 66 M HG3 . 16402 1 806 . 1 1 68 68 MET C C 13 176.726 0.300 . 1 . . . . 66 M C . 16402 1 807 . 1 1 68 68 MET CA C 13 55.629 0.300 . 1 . . . . 66 M CA . 16402 1 808 . 1 1 68 68 MET CB C 13 32.661 0.300 . 1 . . . . 66 M CB . 16402 1 809 . 1 1 68 68 MET CE C 13 17.046 0.300 . 1 . . . . 66 M CE . 16402 1 810 . 1 1 68 68 MET CG C 13 32.061 0.300 . 1 . . . . 66 M CG . 16402 1 811 . 1 1 68 68 MET N N 15 122.431 0.300 . 1 . . . . 66 M N . 16402 1 812 . 1 1 69 69 THR H H 1 8.292 0.020 . 1 . . . . 67 T HN . 16402 1 813 . 1 1 69 69 THR HA H 1 4.265 0.020 . 1 . . . . 67 T HA . 16402 1 814 . 1 1 69 69 THR HB H 1 4.277 0.020 . 1 . . . . 67 T HB . 16402 1 815 . 1 1 69 69 THR HG21 H 1 1.246 0.020 . . . . . . 67 T QG2 . 16402 1 816 . 1 1 69 69 THR HG22 H 1 1.246 0.020 . . . . . . 67 T QG2 . 16402 1 817 . 1 1 69 69 THR HG23 H 1 1.246 0.020 . . . . . . 67 T QG2 . 16402 1 818 . 1 1 69 69 THR C C 13 174.742 0.300 . 1 . . . . 67 T C . 16402 1 819 . 1 1 69 69 THR CA C 13 62.848 0.300 . 1 . . . . 67 T CA . 16402 1 820 . 1 1 69 69 THR CB C 13 69.523 0.300 . 1 . . . . 67 T CB . 16402 1 821 . 1 1 69 69 THR CG2 C 13 21.436 0.300 . 1 . . . . 67 T CG2 . 16402 1 822 . 1 1 69 69 THR N N 15 115.515 0.300 . 1 . . . . 67 T N . 16402 1 823 . 1 1 70 70 ASP H H 1 8.360 0.020 . 1 . . . . 68 D HN . 16402 1 824 . 1 1 70 70 ASP HA H 1 4.659 0.020 . 1 . . . . 68 D HA . 16402 1 825 . 1 1 70 70 ASP HB2 H 1 2.788 0.020 . 2 . . . . 68 D HB2 . 16402 1 826 . 1 1 70 70 ASP HB3 H 1 2.671 0.020 . 2 . . . . 68 D HB3 . 16402 1 827 . 1 1 70 70 ASP C C 13 176.884 0.300 . 1 . . . . 68 D C . 16402 1 828 . 1 1 70 70 ASP CA C 13 54.602 0.300 . 1 . . . . 68 D CA . 16402 1 829 . 1 1 70 70 ASP CB C 13 40.939 0.300 . 1 . . . . 68 D CB . 16402 1 830 . 1 1 70 70 ASP N N 15 123.290 0.300 . 1 . . . . 68 D N . 16402 1 831 . 1 1 71 71 SER H H 1 8.334 0.020 . 1 . . . . 69 S HN . 16402 1 832 . 1 1 71 71 SER HA H 1 4.339 0.020 . 1 . . . . 69 S HA . 16402 1 833 . 1 1 71 71 SER HB2 H 1 3.961 0.020 . 2 . . . . 69 S HB2 . 16402 1 834 . 1 1 71 71 SER HB3 H 1 3.917 0.020 . 2 . . . . 69 S HB3 . 16402 1 835 . 1 1 71 71 SER C C 13 175.542 0.300 . 1 . . . . 69 S C . 16402 1 836 . 1 1 71 71 SER CA C 13 59.705 0.300 . 1 . . . . 69 S CA . 16402 1 837 . 1 1 71 71 SER CB C 13 63.197 0.300 . 1 . . . . 69 S CB . 16402 1 838 . 1 1 71 71 SER N N 15 117.586 0.300 . 1 . . . . 69 S N . 16402 1 839 . 1 1 72 72 GLN H H 1 8.365 0.020 . 1 . . . . 70 Q HN . 16402 1 840 . 1 1 72 72 GLN HA H 1 4.237 0.020 . 1 . . . . 70 Q HA . 16402 1 841 . 1 1 72 72 GLN HB2 H 1 2.171 0.020 . 2 . . . . 70 Q HB2 . 16402 1 842 . 1 1 72 72 GLN HB3 H 1 2.089 0.020 . 2 . . . . 70 Q HB3 . 16402 1 843 . 1 1 72 72 GLN HE21 H 1 7.596 0.020 . 2 . . . . 70 Q HE21 . 16402 1 844 . 1 1 72 72 GLN HE22 H 1 6.880 0.020 . 2 . . . . 70 Q HE22 . 16402 1 845 . 1 1 72 72 GLN HG2 H 1 2.432 0.020 . 2 . . . . 70 Q HG2 . 16402 1 846 . 1 1 72 72 GLN HG3 H 1 2.394 0.020 . 2 . . . . 70 Q HG3 . 16402 1 847 . 1 1 72 72 GLN C C 13 176.638 0.300 . 1 . . . . 70 Q C . 16402 1 848 . 1 1 72 72 GLN CA C 13 56.749 0.300 . 1 . . . . 70 Q CA . 16402 1 849 . 1 1 72 72 GLN CB C 13 28.912 0.300 . 1 . . . . 70 Q CB . 16402 1 850 . 1 1 72 72 GLN CG C 13 33.920 0.300 . 1 . . . . 70 Q CG . 16402 1 851 . 1 1 72 72 GLN N N 15 122.186 0.300 . 1 . . . . 70 Q N . 16402 1 852 . 1 1 72 72 GLN NE2 N 15 113.328 0.300 . 1 . . . . 70 Q NE2 . 16402 1 853 . 1 1 73 73 ALA H H 1 8.085 0.020 . 1 . . . . 71 A HN . 16402 1 854 . 1 1 73 73 ALA HA H 1 4.245 0.020 . 1 . . . . 71 A HA . 16402 1 855 . 1 1 73 73 ALA HB1 H 1 1.440 0.020 . . . . . . 71 A QB . 16402 1 856 . 1 1 73 73 ALA HB2 H 1 1.440 0.020 . . . . . . 71 A QB . 16402 1 857 . 1 1 73 73 ALA HB3 H 1 1.440 0.020 . . . . . . 71 A QB . 16402 1 858 . 1 1 73 73 ALA C C 13 178.341 0.300 . 1 . . . . 71 A C . 16402 1 859 . 1 1 73 73 ALA CA C 13 53.327 0.300 . 1 . . . . 71 A CA . 16402 1 860 . 1 1 73 73 ALA CB C 13 18.838 0.300 . 1 . . . . 71 A CB . 16402 1 861 . 1 1 73 73 ALA N N 15 124.148 0.300 . 1 . . . . 71 A N . 16402 1 862 . 1 1 74 74 LEU H H 1 7.977 0.020 . 1 . . . . 72 L HN . 16402 1 863 . 1 1 74 74 LEU HA H 1 4.263 0.020 . 1 . . . . 72 L HA . 16402 1 864 . 1 1 74 74 LEU HB2 H 1 1.719 0.020 . 2 . . . . 72 L HB2 . 16402 1 865 . 1 1 74 74 LEU HB3 H 1 1.655 0.020 . 2 . . . . 72 L HB3 . 16402 1 866 . 1 1 74 74 LEU HD11 H 1 0.931 0.020 . . . . . . 72 L QD1 . 16402 1 867 . 1 1 74 74 LEU HD12 H 1 0.931 0.020 . . . . . . 72 L QD1 . 16402 1 868 . 1 1 74 74 LEU HD13 H 1 0.931 0.020 . . . . . . 72 L QD1 . 16402 1 869 . 1 1 74 74 LEU HD21 H 1 0.880 0.020 . . . . . . 72 L QD2 . 16402 1 870 . 1 1 74 74 LEU HD22 H 1 0.880 0.020 . . . . . . 72 L QD2 . 16402 1 871 . 1 1 74 74 LEU HD23 H 1 0.880 0.020 . . . . . . 72 L QD2 . 16402 1 872 . 1 1 74 74 LEU HG H 1 1.646 0.020 . 1 . . . . 72 L HG . 16402 1 873 . 1 1 74 74 LEU C C 13 177.955 0.300 . 1 . . . . 72 L C . 16402 1 874 . 1 1 74 74 LEU CA C 13 56.034 0.300 . 1 . . . . 72 L CA . 16402 1 875 . 1 1 74 74 LEU CB C 13 42.033 0.300 . 1 . . . . 72 L CB . 16402 1 876 . 1 1 74 74 LEU N N 15 120.591 0.300 . 1 . . . . 72 L N . 16402 1 877 . 1 1 75 75 ILE H H 1 7.944 0.020 . 1 . . . . 73 I HN . 16402 1 878 . 1 1 75 75 ILE HA H 1 4.074 0.020 . 1 . . . . 73 I HA . 16402 1 879 . 1 1 75 75 ILE HB H 1 1.925 0.020 . 1 . . . . 73 I HB . 16402 1 880 . 1 1 75 75 ILE HD11 H 1 0.863 0.020 . . . . . . 73 I QD1 . 16402 1 881 . 1 1 75 75 ILE HD12 H 1 0.863 0.020 . . . . . . 73 I QD1 . 16402 1 882 . 1 1 75 75 ILE HD13 H 1 0.863 0.020 . . . . . . 73 I QD1 . 16402 1 883 . 1 1 75 75 ILE HG12 H 1 1.549 0.020 . 2 . . . . 73 I HG12 . 16402 1 884 . 1 1 75 75 ILE HG13 H 1 1.223 0.020 . 2 . . . . 73 I HG13 . 16402 1 885 . 1 1 75 75 ILE HG21 H 1 0.933 0.020 . . . . . . 73 I QG2 . 16402 1 886 . 1 1 75 75 ILE HG22 H 1 0.933 0.020 . . . . . . 73 I QG2 . 16402 1 887 . 1 1 75 75 ILE HG23 H 1 0.933 0.020 . . . . . . 73 I QG2 . 16402 1 888 . 1 1 75 75 ILE C C 13 176.901 0.300 . 1 . . . . 73 I C . 16402 1 889 . 1 1 75 75 ILE CA C 13 62.039 0.300 . 1 . . . . 73 I CA . 16402 1 890 . 1 1 75 75 ILE CB C 13 38.284 0.300 . 1 . . . . 73 I CB . 16402 1 891 . 1 1 75 75 ILE CD1 C 13 12.936 0.300 . 1 . . . . 73 I CD1 . 16402 1 892 . 1 1 75 75 ILE CG1 C 13 27.811 0.300 . 1 . . . . 73 I CG1 . 16402 1 893 . 1 1 75 75 ILE CG2 C 13 17.452 0.300 . 1 . . . . 73 I CG2 . 16402 1 894 . 1 1 75 75 ILE N N 15 120.782 0.300 . 1 . . . . 73 I N . 16402 1 895 . 1 1 76 76 SER H H 1 8.211 0.020 . 1 . . . . 74 S HN . 16402 1 896 . 1 1 76 76 SER HA H 1 4.421 0.020 . 1 . . . . 74 S HA . 16402 1 897 . 1 1 76 76 SER HB2 H 1 3.913 0.020 . 2 . . . . 74 S QB . 16402 1 898 . 1 1 76 76 SER HB3 H 1 3.913 0.020 . 2 . . . . 74 S QB . 16402 1 899 . 1 1 76 76 SER C C 13 174.864 0.300 . 1 . . . . 74 S C . 16402 1 900 . 1 1 76 76 SER CA C 13 59.052 0.300 . 1 . . . . 74 S CA . 16402 1 901 . 1 1 76 76 SER CB C 13 63.353 0.300 . 1 . . . . 74 S CB . 16402 1 902 . 1 1 76 76 SER N N 15 118.799 0.300 . 1 . . . . 74 S N . 16402 1 903 . 1 1 77 77 ARG H H 1 8.118 0.020 . 1 . . . . 75 R HN . 16402 1 904 . 1 1 77 77 ARG HA H 1 4.300 0.020 . 1 . . . . 75 R HA . 16402 1 905 . 1 1 77 77 ARG HB2 H 1 1.898 0.020 . 2 . . . . 75 R HB2 . 16402 1 906 . 1 1 77 77 ARG HB3 H 1 1.795 0.020 . 2 . . . . 75 R HB3 . 16402 1 907 . 1 1 77 77 ARG HD2 H 1 3.134 0.020 . 2 . . . . 75 R QD . 16402 1 908 . 1 1 77 77 ARG HD3 H 1 3.134 0.020 . 2 . . . . 75 R QD . 16402 1 909 . 1 1 77 77 ARG HG2 H 1 1.653 0.020 . 2 . . . . 75 R HG2 . 16402 1 910 . 1 1 77 77 ARG HG3 H 1 1.601 0.020 . 2 . . . . 75 R HG3 . 16402 1 911 . 1 1 77 77 ARG C C 13 176.410 0.300 . 1 . . . . 75 R C . 16402 1 912 . 1 1 77 77 ARG CA C 13 56.469 0.300 . 1 . . . . 75 R CA . 16402 1 913 . 1 1 77 77 ARG CB C 13 30.630 0.300 . 1 . . . . 75 R CB . 16402 1 914 . 1 1 77 77 ARG CD C 13 43.217 0.300 . 1 . . . . 75 R CD . 16402 1 915 . 1 1 77 77 ARG CG C 13 27.014 0.300 . 1 . . . . 75 R CG . 16402 1 916 . 1 1 77 77 ARG N N 15 122.976 0.300 . 1 . . . . 75 R N . 16402 1 917 . 1 1 78 78 LEU H H 1 8.053 0.020 . 1 . . . . 76 L HN . 16402 1 918 . 1 1 78 78 LEU HA H 1 4.295 0.020 . 1 . . . . 76 L HA . 16402 1 919 . 1 1 78 78 LEU HB2 H 1 1.664 0.020 . 2 . . . . 76 L HB2 . 16402 1 920 . 1 1 78 78 LEU HB3 H 1 1.489 0.020 . 2 . . . . 76 L HB3 . 16402 1 921 . 1 1 78 78 LEU HD11 H 1 0.919 0.020 . . . . . . 76 L QD1 . 16402 1 922 . 1 1 78 78 LEU HD12 H 1 0.919 0.020 . . . . . . 76 L QD1 . 16402 1 923 . 1 1 78 78 LEU HD13 H 1 0.919 0.020 . . . . . . 76 L QD1 . 16402 1 924 . 1 1 78 78 LEU HD21 H 1 0.864 0.020 . . . . . . 76 L QD2 . 16402 1 925 . 1 1 78 78 LEU HD22 H 1 0.864 0.020 . . . . . . 76 L QD2 . 16402 1 926 . 1 1 78 78 LEU HD23 H 1 0.864 0.020 . . . . . . 76 L QD2 . 16402 1 927 . 1 1 78 78 LEU HG H 1 1.601 0.020 . 1 . . . . 76 L HG . 16402 1 928 . 1 1 78 78 LEU C C 13 177.253 0.300 . 1 . . . . 76 L C . 16402 1 929 . 1 1 78 78 LEU CA C 13 55.474 0.300 . 1 . . . . 76 L CA . 16402 1 930 . 1 1 78 78 LEU CB C 13 42.111 0.300 . 1 . . . . 76 L CB . 16402 1 931 . 1 1 78 78 LEU CD1 C 13 24.624 0.300 . 2 . . . . 76 L CD1 . 16402 1 932 . 1 1 78 78 LEU CD2 C 13 23.561 0.300 . 2 . . . . 76 L CD2 . 16402 1 933 . 1 1 78 78 LEU CG C 13 27.014 0.300 . 1 . . . . 76 L CG . 16402 1 934 . 1 1 78 78 LEU N N 15 122.554 0.300 . 1 . . . . 76 L N . 16402 1 935 . 1 1 79 79 GLN H H 1 8.123 0.020 . 1 . . . . 77 Q HN . 16402 1 936 . 1 1 79 79 GLN HA H 1 4.306 0.020 . 1 . . . . 77 Q HA . 16402 1 937 . 1 1 79 79 GLN HB2 H 1 2.037 0.020 . 2 . . . . 77 Q HB2 . 16402 1 938 . 1 1 79 79 GLN HB3 H 1 1.957 0.020 . 2 . . . . 77 Q HB3 . 16402 1 939 . 1 1 79 79 GLN HE21 H 1 7.532 0.020 . 2 . . . . 77 Q HE21 . 16402 1 940 . 1 1 79 79 GLN HE22 H 1 6.840 0.020 . 2 . . . . 77 Q HE22 . 16402 1 941 . 1 1 79 79 GLN HG2 H 1 2.270 0.020 . 2 . . . . 77 Q QG . 16402 1 942 . 1 1 79 79 GLN HG3 H 1 2.270 0.020 . 2 . . . . 77 Q QG . 16402 1 943 . 1 1 79 79 GLN C C 13 175.492 0.300 . 1 . . . . 77 Q C . 16402 1 944 . 1 1 79 79 GLN CA C 13 55.754 0.300 . 1 . . . . 77 Q CA . 16402 1 945 . 1 1 79 79 GLN CB C 13 29.303 0.300 . 1 . . . . 77 Q CB . 16402 1 946 . 1 1 79 79 GLN CG C 13 33.655 0.300 . 1 . . . . 77 Q CG . 16402 1 947 . 1 1 79 79 GLN N N 15 120.400 0.300 . 1 . . . . 77 Q N . 16402 1 948 . 1 1 79 79 GLN NE2 N 15 113.162 0.300 . 1 . . . . 77 Q NE2 . 16402 1 949 . 1 1 80 80 TRP H H 1 8.168 0.020 . 1 . . . . 78 W HN . 16402 1 950 . 1 1 80 80 TRP HA H 1 4.730 0.020 . 1 . . . . 78 W HA . 16402 1 951 . 1 1 80 80 TRP HB2 H 1 3.336 0.020 . 2 . . . . 78 W HB2 . 16402 1 952 . 1 1 80 80 TRP HB3 H 1 3.242 0.020 . 2 . . . . 78 W HB3 . 16402 1 953 . 1 1 80 80 TRP HD1 H 1 7.269 0.020 . 1 . . . . 78 W HD1 . 16402 1 954 . 1 1 80 80 TRP HE1 H 1 10.131 0.020 . 1 . . . . 78 W HE1 . 16402 1 955 . 1 1 80 80 TRP HE3 H 1 7.654 0.020 . 1 . . . . 78 W HE3 . 16402 1 956 . 1 1 80 80 TRP HH2 H 1 7.215 0.020 . 1 . . . . 78 W HH2 . 16402 1 957 . 1 1 80 80 TRP HZ2 H 1 7.483 0.020 . 1 . . . . 78 W HZ2 . 16402 1 958 . 1 1 80 80 TRP HZ3 H 1 7.149 0.020 . 1 . . . . 78 W HZ3 . 16402 1 959 . 1 1 80 80 TRP C C 13 175.690 0.300 . 1 . . . . 78 W C . 16402 1 960 . 1 1 80 80 TRP CA C 13 57.309 0.300 . 1 . . . . 78 W CA . 16402 1 961 . 1 1 80 80 TRP CB C 13 29.693 0.300 . 1 . . . . 78 W CB . 16402 1 962 . 1 1 80 80 TRP CE3 C 13 120.945 0.300 . 1 . . . . 78 W CE3 . 16402 1 963 . 1 1 80 80 TRP CH2 C 13 124.771 0.300 . 1 . . . . 78 W CH2 . 16402 1 964 . 1 1 80 80 TRP CZ2 C 13 114.801 0.300 . 1 . . . . 78 W CZ2 . 16402 1 965 . 1 1 80 80 TRP N N 15 123.112 0.300 . 1 . . . . 78 W N . 16402 1 966 . 1 1 80 80 TRP NE1 N 15 130.152 0.300 . 1 . . . . 78 W NE1 . 16402 1 967 . 1 1 81 81 ASP H H 1 8.228 0.020 . 1 . . . . 79 D HN . 16402 1 968 . 1 1 81 81 ASP HA H 1 4.622 0.020 . 1 . . . . 79 D HA . 16402 1 969 . 1 1 81 81 ASP HB2 H 1 2.551 0.020 . 2 . . . . 79 D HB2 . 16402 1 970 . 1 1 81 81 ASP HB3 H 1 2.505 0.020 . 2 . . . . 79 D HB3 . 16402 1 971 . 1 1 81 81 ASP C C 13 175.163 0.300 . 1 . . . . 79 D C . 16402 1 972 . 1 1 81 81 ASP CA C 13 53.949 0.300 . 1 . . . . 79 D CA . 16402 1 973 . 1 1 81 81 ASP CB C 13 41.017 0.300 . 1 . . . . 79 D CB . 16402 1 974 . 1 1 81 81 ASP N N 15 123.917 0.300 . 1 . . . . 79 D N . 16402 1 975 . 1 1 82 82 GLY H H 1 7.113 0.020 . 1 . . . . 80 G HN . 16402 1 976 . 1 1 82 82 GLY HA2 H 1 3.571 0.020 . 2 . . . . 80 G QA . 16402 1 977 . 1 1 82 82 GLY HA3 H 1 3.571 0.020 . 2 . . . . 80 G QA . 16402 1 978 . 1 1 82 82 GLY CA C 13 46.140 0.300 . 1 . . . . 80 G CA . 16402 1 979 . 1 1 82 82 GLY N N 15 115.065 0.300 . 1 . . . . 80 G N . 16402 1 stop_ save_