data_16192 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16192 _Entry.Title ; NMR structure of the first qRRM of hnRNP F in complex with AGGGAU G-tract RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-03-02 _Entry.Accession_date 2009-03-02 _Entry.Last_release_date . _Entry.Original_release_date . _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 Frederic Allain . H.T. . 16192 2 Cyril Dominguez . . . 16192 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 . 'not applicable' 'not applicable' . 16192 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'G tract' . 16192 'polyadenylation regulation' . 16192 'protein-RNA complex' . 16192 'splicing regulation' . 16192 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16192 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 258 16192 '15N chemical shifts' 102 16192 '1H chemical shifts' 685 16192 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 2 . . 2010-07-09 2009-02-03 update BMRB 'complete entry citation' 16192 1 . . 2010-06-15 2009-02-03 original author 'original release' 16192 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6745 'Backbone 1H, 13C, and 15N chemical shift assignments of human HnRNP F qRRM12' 16192 PDB 2HGL 'NMR structure of the first qRRM domain of human hnRNP F' 16192 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16192 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20526337 _Citation.Full_citation . _Citation.Title 'Structural basis of G-tract recognition and encaging by hnRNP F quasi-RRMs.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural & molecular biology' _Citation.Journal_volume 17 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 853 _Citation.Page_last 861 _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 Cyril Dominguez . . . 16192 1 2 Jean-Francois Fisette . . . 16192 1 3 Benoit Chabot . . . 16192 1 4 'Frederic H-T' Allain . . . 16192 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16192 _Assembly.ID 1 _Assembly.Name 'hnRNP F/AGGGAU G-tract RNA complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'AGGGAU G-tract RNA' 1 $entity_1 A . yes native no no . . . 16192 1 2 'first qRRM of hnRNP F' 2 $entity_2 B . yes native no no . . . 16192 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 16192 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code AGGGAU _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 6 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1955.251 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . . SWS . . . . . . . . . . . . . . . . . 16192 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 . A . 16192 1 2 . G . 16192 1 3 . G . 16192 1 4 . G . 16192 1 5 . A . 16192 1 6 . U . 16192 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 . A 1 1 16192 1 . G 2 2 16192 1 . G 3 3 16192 1 . G 4 4 16192 1 . A 5 5 16192 1 . U 6 6 16192 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 16192 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'first qRRM of hnRNP F' _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 ; MMLGPEGGEGFVVKLRGLPW SCSVEDVQNFLSDCTIHDGA AGVHFIYTREGRQSGEAFVE LGSEDDVKMALKKDRESMGH RYIEVFKSHRTEMDWVLKHS GP ; _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11475.048 _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 2HGL . "Nmr Structure Of The First Qrrm Domain Of Human Hnrnp F" . . . . . 100.00 136 100.00 100.00 2.90e-68 . . . . 16192 2 2 no PDB 2KFY . "Nmr Structure Of The First Qrrm Of Hnrnp F In Complex With Agggau G- Tract Rna" . . . . . 100.00 136 100.00 100.00 2.90e-68 . . . . 16192 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'regulation of alternative splicing' 16192 2 'regulation of polyadenylation' 16192 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16192 2 2 . MET . 16192 2 3 . LEU . 16192 2 4 . GLY . 16192 2 5 . PRO . 16192 2 6 . GLU . 16192 2 7 . GLY . 16192 2 8 . GLY . 16192 2 9 . GLU . 16192 2 10 . GLY . 16192 2 11 . PHE . 16192 2 12 . VAL . 16192 2 13 . VAL . 16192 2 14 . LYS . 16192 2 15 . LEU . 16192 2 16 . ARG . 16192 2 17 . GLY . 16192 2 18 . LEU . 16192 2 19 . PRO . 16192 2 20 . TRP . 16192 2 21 . SER . 16192 2 22 . CYS . 16192 2 23 . SER . 16192 2 24 . VAL . 16192 2 25 . GLU . 16192 2 26 . ASP . 16192 2 27 . VAL . 16192 2 28 . GLN . 16192 2 29 . ASN . 16192 2 30 . PHE . 16192 2 31 . LEU . 16192 2 32 . SER . 16192 2 33 . ASP . 16192 2 34 . CYS . 16192 2 35 . THR . 16192 2 36 . ILE . 16192 2 37 . HIS . 16192 2 38 . ASP . 16192 2 39 . GLY . 16192 2 40 . ALA . 16192 2 41 . ALA . 16192 2 42 . GLY . 16192 2 43 . VAL . 16192 2 44 . HIS . 16192 2 45 . PHE . 16192 2 46 . ILE . 16192 2 47 . TYR . 16192 2 48 . THR . 16192 2 49 . ARG . 16192 2 50 . GLU . 16192 2 51 . GLY . 16192 2 52 . ARG . 16192 2 53 . GLN . 16192 2 54 . SER . 16192 2 55 . GLY . 16192 2 56 . GLU . 16192 2 57 . ALA . 16192 2 58 . PHE . 16192 2 59 . VAL . 16192 2 60 . GLU . 16192 2 61 . LEU . 16192 2 62 . GLY . 16192 2 63 . SER . 16192 2 64 . GLU . 16192 2 65 . ASP . 16192 2 66 . ASP . 16192 2 67 . VAL . 16192 2 68 . LYS . 16192 2 69 . MET . 16192 2 70 . ALA . 16192 2 71 . LEU . 16192 2 72 . LYS . 16192 2 73 . LYS . 16192 2 74 . ASP . 16192 2 75 . ARG . 16192 2 76 . GLU . 16192 2 77 . SER . 16192 2 78 . MET . 16192 2 79 . GLY . 16192 2 80 . HIS . 16192 2 81 . ARG . 16192 2 82 . TYR . 16192 2 83 . ILE . 16192 2 84 . GLU . 16192 2 85 . VAL . 16192 2 86 . PHE . 16192 2 87 . LYS . 16192 2 88 . SER . 16192 2 89 . HIS . 16192 2 90 . ARG . 16192 2 91 . THR . 16192 2 92 . GLU . 16192 2 93 . MET . 16192 2 94 . ASP . 16192 2 95 . TRP . 16192 2 96 . VAL . 16192 2 97 . LEU . 16192 2 98 . LYS . 16192 2 99 . HIS . 16192 2 100 . SER . 16192 2 101 . GLY . 16192 2 102 . PRO . 16192 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16192 2 . MET 2 2 16192 2 . LEU 3 3 16192 2 . GLY 4 4 16192 2 . PRO 5 5 16192 2 . GLU 6 6 16192 2 . GLY 7 7 16192 2 . GLY 8 8 16192 2 . GLU 9 9 16192 2 . GLY 10 10 16192 2 . PHE 11 11 16192 2 . VAL 12 12 16192 2 . VAL 13 13 16192 2 . LYS 14 14 16192 2 . LEU 15 15 16192 2 . ARG 16 16 16192 2 . GLY 17 17 16192 2 . LEU 18 18 16192 2 . PRO 19 19 16192 2 . TRP 20 20 16192 2 . SER 21 21 16192 2 . CYS 22 22 16192 2 . SER 23 23 16192 2 . VAL 24 24 16192 2 . GLU 25 25 16192 2 . ASP 26 26 16192 2 . VAL 27 27 16192 2 . GLN 28 28 16192 2 . ASN 29 29 16192 2 . PHE 30 30 16192 2 . LEU 31 31 16192 2 . SER 32 32 16192 2 . ASP 33 33 16192 2 . CYS 34 34 16192 2 . THR 35 35 16192 2 . ILE 36 36 16192 2 . HIS 37 37 16192 2 . ASP 38 38 16192 2 . GLY 39 39 16192 2 . ALA 40 40 16192 2 . ALA 41 41 16192 2 . GLY 42 42 16192 2 . VAL 43 43 16192 2 . HIS 44 44 16192 2 . PHE 45 45 16192 2 . ILE 46 46 16192 2 . TYR 47 47 16192 2 . THR 48 48 16192 2 . ARG 49 49 16192 2 . GLU 50 50 16192 2 . GLY 51 51 16192 2 . ARG 52 52 16192 2 . GLN 53 53 16192 2 . SER 54 54 16192 2 . GLY 55 55 16192 2 . GLU 56 56 16192 2 . ALA 57 57 16192 2 . PHE 58 58 16192 2 . VAL 59 59 16192 2 . GLU 60 60 16192 2 . LEU 61 61 16192 2 . GLY 62 62 16192 2 . SER 63 63 16192 2 . GLU 64 64 16192 2 . ASP 65 65 16192 2 . ASP 66 66 16192 2 . VAL 67 67 16192 2 . LYS 68 68 16192 2 . MET 69 69 16192 2 . ALA 70 70 16192 2 . LEU 71 71 16192 2 . LYS 72 72 16192 2 . LYS 73 73 16192 2 . ASP 74 74 16192 2 . ARG 75 75 16192 2 . GLU 76 76 16192 2 . SER 77 77 16192 2 . MET 78 78 16192 2 . GLY 79 79 16192 2 . HIS 80 80 16192 2 . ARG 81 81 16192 2 . TYR 82 82 16192 2 . ILE 83 83 16192 2 . GLU 84 84 16192 2 . VAL 85 85 16192 2 . PHE 86 86 16192 2 . LYS 87 87 16192 2 . SER 88 88 16192 2 . HIS 89 89 16192 2 . ARG 90 90 16192 2 . THR 91 91 16192 2 . GLU 92 92 16192 2 . MET 93 93 16192 2 . ASP 94 94 16192 2 . TRP 95 95 16192 2 . VAL 96 96 16192 2 . LEU 97 97 16192 2 . LYS 98 98 16192 2 . HIS 99 99 16192 2 . SER 100 100 16192 2 . GLY 101 101 16192 2 . PRO 102 102 16192 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 16192 _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 . . . . . . . . . . . . . . . . . . . . . 16192 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16192 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 16192 _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 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16192 1 2 2 $entity_2 . 'recombinant technology' . . . . . . 'BL21 Codon Plus' . . . . . . . . . . . . . . . . . . . . . . 16192 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16192 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 entity_1 'natural abundance' . . 1 $entity_1 . . . 1 1.5 mM . . . . 16192 1 2 entity_2 '[U-13C; U-15N]' . . 2 $entity_2 . . . 1 1.5 mM . . . . 16192 1 3 NACL 'natural abundance' . . . . . . 50 . . mM . . . . 16192 1 4 Na2HPO4 'natural abundance' . . . . . . 20 . . mM . . . . 16192 1 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 16192 _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' 70 . mM 16192 1 pH 7.0 . pH 16192 1 pressure 1 . atm 16192 1 temperature 303 . K 16192 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16192 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16192 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16192 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16192 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 16192 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16192 2 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 16192 _Software.ID 3 _Software.Name AMBER _Software.Version 7.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 16192 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16192 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16192 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 16192 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 16192 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 16192 1 2 spectrometer_2 Bruker Avance . 600 . . . 16192 1 3 spectrometer_3 Bruker Avance . 700 . . . 16192 1 4 spectrometer_4 Bruker Avance . 900 . . . 16192 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 16192 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16192 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16192 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 16192 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 16192 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 16192 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal indirect 0.25 . . . . . . . . . 16192 1 H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . . . . . 16192 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.1 . . . . . . . . . 16192 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 16192 _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 1 '2D 1H-15N HSQC' . . . 16192 1 2 '2D 1H-13C HSQC' . . . 16192 1 3 '3D 1H-15N NOESY' . . . 16192 1 4 '3D 1H-13C NOESY' . . . 16192 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 $SPARKY . . 16192 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 A H1' H 1 5.979 0.05 . . . . . . 1 A H1' . 16192 1 2 . 1 1 1 1 A H2 H 1 7.854 0.05 . 1 . . . . 1 A H2 . 16192 1 3 . 1 1 1 1 A H2' H 1 4.863 0.05 . . . . . . 1 A H2' . 16192 1 4 . 1 1 1 1 A H3' H 1 4.838 0.05 . . . . . . 1 A H3' . 16192 1 5 . 1 1 1 1 A H4' H 1 4.458 0.05 . . . . . . 1 A H4' . 16192 1 6 . 1 1 1 1 A H5' H 1 3.896 0.05 . . . . . . 1 A H5' . 16192 1 7 . 1 1 1 1 A H5'' H 1 3.896 0.05 . . . . . . 1 A H5'' . 16192 1 8 . 1 1 1 1 A H8 H 1 8.120 0.05 . 1 . . . . 1 A H8 . 16192 1 9 . 1 1 2 2 G H1' H 1 5.646 0.05 . . . . . . 2 G H1' . 16192 1 10 . 1 1 2 2 G H2' H 1 4.781 0.05 . . . . . . 2 G H2' . 16192 1 11 . 1 1 2 2 G H3' H 1 4.685 0.05 . . . . . . 2 G H3' . 16192 1 12 . 1 1 2 2 G H4' H 1 4.472 0.05 . . . . . . 2 G H4' . 16192 1 13 . 1 1 2 2 G H5' H 1 4.295 0.05 . . . . . . 2 G H5' . 16192 1 14 . 1 1 2 2 G H5'' H 1 4.183 0.05 . . . . . . 2 G H5'' . 16192 1 15 . 1 1 2 2 G H8 H 1 8.080 0.05 . 1 . . . . 2 G H8 . 16192 1 16 . 1 1 3 3 G H1' H 1 5.918 0.05 . . . . . . 3 G H1' . 16192 1 17 . 1 1 3 3 G H2' H 1 4.879 0.05 . . . . . . 3 G H2' . 16192 1 18 . 1 1 3 3 G H4' H 1 3.971 0.05 . . . . . . 3 G H4' . 16192 1 19 . 1 1 3 3 G H5' H 1 3.835 0.05 . . . . . . 3 G H5' . 16192 1 20 . 1 1 3 3 G H5'' H 1 2.963 0.05 . . . . . . 3 G H5'' . 16192 1 21 . 1 1 3 3 G H8 H 1 8.114 0.05 . 1 . . . . 3 G H8 . 16192 1 22 . 1 1 4 4 G H1' H 1 5.912 0.05 . . . . . . 4 G H1' . 16192 1 23 . 1 1 4 4 G H2' H 1 5.149 0.05 . . . . . . 4 G H2' . 16192 1 24 . 1 1 4 4 G H3' H 1 5.080 0.05 . . . . . . 4 G H3' . 16192 1 25 . 1 1 4 4 G H4' H 1 4.437 0.05 . . . . . . 4 G H4' . 16192 1 26 . 1 1 4 4 G H5'' H 1 4.160 0.05 . . . . . . 4 G H5'' . 16192 1 27 . 1 1 4 4 G H8 H 1 7.930 0.05 . 1 . . . . 4 G H8 . 16192 1 28 . 1 1 5 5 A H1' H 1 6.011 0.05 . . . . . . 5 A H1' . 16192 1 29 . 1 1 5 5 A H2 H 1 8.130 0.05 . 1 . . . . 5 A H2 . 16192 1 30 . 1 1 5 5 A H2' H 1 4.799 0.05 . . . . . . 5 A H2' . 16192 1 31 . 1 1 5 5 A H3' H 1 4.724 0.05 . . . . . . 5 A H3' . 16192 1 32 . 1 1 5 5 A H4' H 1 4.547 0.05 . . . . . . 5 A H4' . 16192 1 33 . 1 1 5 5 A H5' H 1 4.309 0.05 . . . . . . 5 A H5' . 16192 1 34 . 1 1 5 5 A H5'' H 1 4.260 0.05 . . . . . . 5 A H5'' . 16192 1 35 . 1 1 5 5 A H8 H 1 8.389 0.05 . 1 . . . . 5 A H8 . 16192 1 36 . 1 1 6 6 U H1' H 1 5.755 0.05 . . . . . . 6 U H1' . 16192 1 37 . 1 1 6 6 U H2' H 1 4.165 0.05 . . . . . . 6 U H2' . 16192 1 38 . 1 1 6 6 U H3' H 1 4.212 0.05 . . . . . . 6 U H3' . 16192 1 39 . 1 1 6 6 U H4' H 1 4.286 0.05 . . . . . . 6 U H4' . 16192 1 40 . 1 1 6 6 U H5 H 1 5.526 0.05 . 1 . . . . 6 U H5 . 16192 1 41 . 1 1 6 6 U H5' H 1 4.798 0.05 . . . . . . 6 U H5' . 16192 1 42 . 1 1 6 6 U H5'' H 1 4.727 0.05 . . . . . . 6 U H5'' . 16192 1 43 . 1 1 6 6 U H6 H 1 7.657 0.05 . 1 . . . . 6 U H6 . 16192 1 44 . 2 2 3 3 LEU H H 1 8.165 0.05 . 1 . . . . 3 L HN . 16192 1 45 . 2 2 3 3 LEU HA H 1 4.387 0.05 . 1 . . . . 3 L HA . 16192 1 46 . 2 2 3 3 LEU N N 15 123.250 0.2 . 1 . . . . 3 L N . 16192 1 47 . 2 2 4 4 GLY H H 1 8.157 0.05 . 1 . . . . 4 G HN . 16192 1 48 . 2 2 4 4 GLY HA2 H 1 4.086 0.05 . . . . . . 4 G HA2 . 16192 1 49 . 2 2 4 4 GLY HA3 H 1 3.976 0.05 . 2 . . . . 4 G HA3 . 16192 1 50 . 2 2 4 4 GLY N N 15 109.511 0.2 . 1 . . . . 4 G N . 16192 1 51 . 2 2 8 8 GLY H H 1 8.052 0.05 . 1 . . . . 8 G HN . 16192 1 52 . 2 2 8 8 GLY HA2 H 1 3.856 0.05 . 2 . . . . 8 G QA . 16192 1 53 . 2 2 8 8 GLY HA3 H 1 3.856 0.05 . 2 . . . . 8 G QA . 16192 1 54 . 2 2 8 8 GLY CA C 13 45.185 0.2 . 1 . . . . 8 G CA . 16192 1 55 . 2 2 8 8 GLY N N 15 108.364 0.2 . 1 . . . . 8 G N . 16192 1 56 . 2 2 9 9 GLU H H 1 8.355 0.05 . 1 . . . . 9 E HN . 16192 1 57 . 2 2 9 9 GLU HA H 1 4.157 0.05 . 1 . . . . 9 E HA . 16192 1 58 . 2 2 9 9 GLU HB2 H 1 1.983 0.05 . 2 . . . . 9 E HB2 . 16192 1 59 . 2 2 9 9 GLU HB3 H 1 1.844 0.05 . 2 . . . . 9 E HB3 . 16192 1 60 . 2 2 9 9 GLU HG2 H 1 2.204 0.05 . 2 . . . . 9 E HG2 . 16192 1 61 . 2 2 9 9 GLU HG3 H 1 2.159 0.05 . 2 . . . . 9 E HG3 . 16192 1 62 . 2 2 9 9 GLU CA C 13 56.934 0.2 . 1 . . . . 9 E CA . 16192 1 63 . 2 2 9 9 GLU CB C 13 29.172 0.2 . 1 . . . . 9 E CB . 16192 1 64 . 2 2 9 9 GLU CG C 13 36.039 0.2 . 1 . . . . 9 E CG . 16192 1 65 . 2 2 9 9 GLU N N 15 120.229 0.2 . 1 . . . . 9 E N . 16192 1 66 . 2 2 10 10 GLY H H 1 7.895 0.05 . 1 . . . . 10 G HN . 16192 1 67 . 2 2 10 10 GLY HA2 H 1 3.701 0.05 . . . . . . 10 G HA2 . 16192 1 68 . 2 2 10 10 GLY HA3 H 1 3.361 0.05 . 2 . . . . 10 G HA3 . 16192 1 69 . 2 2 10 10 GLY CA C 13 44.209 0.2 . 1 . . . . 10 G CA . 16192 1 70 . 2 2 10 10 GLY N N 15 107.568 0.2 . 1 . . . . 10 G N . 16192 1 71 . 2 2 11 11 PHE H H 1 8.396 0.05 . 1 . . . . 11 F HN . 16192 1 72 . 2 2 11 11 PHE HA H 1 4.785 0.05 . 1 . . . . 11 F HA . 16192 1 73 . 2 2 11 11 PHE HB2 H 1 2.870 0.05 . 2 . . . . 11 F HB2 . 16192 1 74 . 2 2 11 11 PHE HB3 H 1 2.663 0.05 . 2 . . . . 11 F HB3 . 16192 1 75 . 2 2 11 11 PHE HD1 H 1 7.095 0.05 . 3 . . . . 11 F QD . 16192 1 76 . 2 2 11 11 PHE HD2 H 1 7.095 0.05 . 3 . . . . 11 F QD . 16192 1 77 . 2 2 11 11 PHE HE1 H 1 7.358 0.05 . 3 . . . . 11 F QE . 16192 1 78 . 2 2 11 11 PHE HE2 H 1 7.358 0.05 . 3 . . . . 11 F QE . 16192 1 79 . 2 2 11 11 PHE CA C 13 56.137 0.2 . 1 . . . . 11 F CA . 16192 1 80 . 2 2 11 11 PHE CB C 13 39.028 0.2 . 1 . . . . 11 F CB . 16192 1 81 . 2 2 11 11 PHE N N 15 121.475 0.2 . 1 . . . . 11 F N . 16192 1 82 . 2 2 12 12 VAL H H 1 8.849 0.05 . 1 . . . . 12 V HN . 16192 1 83 . 2 2 12 12 VAL HA H 1 5.143 0.05 . 1 . . . . 12 V HA . 16192 1 84 . 2 2 12 12 VAL HB H 1 1.538 0.05 . 1 . . . . 12 V HB . 16192 1 85 . 2 2 12 12 VAL HG11 H 1 0.994 0.05 . . . . . . 12 V QG1 . 16192 1 86 . 2 2 12 12 VAL HG12 H 1 0.994 0.05 . . . . . . 12 V QG1 . 16192 1 87 . 2 2 12 12 VAL HG13 H 1 0.994 0.05 . . . . . . 12 V QG1 . 16192 1 88 . 2 2 12 12 VAL HG21 H 1 0.786 0.05 . . . . . . 12 V QG2 . 16192 1 89 . 2 2 12 12 VAL HG22 H 1 0.786 0.05 . . . . . . 12 V QG2 . 16192 1 90 . 2 2 12 12 VAL HG23 H 1 0.786 0.05 . . . . . . 12 V QG2 . 16192 1 91 . 2 2 12 12 VAL CA C 13 60.723 0.2 . 1 . . . . 12 V CA . 16192 1 92 . 2 2 12 12 VAL CB C 13 36.527 0.2 . 1 . . . . 12 V CB . 16192 1 93 . 2 2 12 12 VAL CG1 C 13 23.073 0.2 . 2 . . . . 12 V CG1 . 16192 1 94 . 2 2 12 12 VAL CG2 C 13 21.765 0.2 . 2 . . . . 12 V CG2 . 16192 1 95 . 2 2 12 12 VAL N N 15 123.824 0.2 . 1 . . . . 12 V N . 16192 1 96 . 2 2 13 13 VAL H H 1 8.597 0.05 . 1 . . . . 13 V HN . 16192 1 97 . 2 2 13 13 VAL HA H 1 5.109 0.05 . 1 . . . . 13 V HA . 16192 1 98 . 2 2 13 13 VAL HB H 1 2.157 0.05 . 1 . . . . 13 V HB . 16192 1 99 . 2 2 13 13 VAL HG11 H 1 0.867 0.05 . . . . . . 13 V QG1 . 16192 1 100 . 2 2 13 13 VAL HG12 H 1 0.867 0.05 . . . . . . 13 V QG1 . 16192 1 101 . 2 2 13 13 VAL HG13 H 1 0.867 0.05 . . . . . . 13 V QG1 . 16192 1 102 . 2 2 13 13 VAL HG21 H 1 0.711 0.05 . . . . . . 13 V QG2 . 16192 1 103 . 2 2 13 13 VAL HG22 H 1 0.711 0.05 . . . . . . 13 V QG2 . 16192 1 104 . 2 2 13 13 VAL HG23 H 1 0.711 0.05 . . . . . . 13 V QG2 . 16192 1 105 . 2 2 13 13 VAL CA C 13 58.727 0.2 . 1 . . . . 13 V CA . 16192 1 106 . 2 2 13 13 VAL CB C 13 35.115 0.2 . 1 . . . . 13 V CB . 16192 1 107 . 2 2 13 13 VAL CG1 C 13 22.448 0.2 . 2 . . . . 13 V CG1 . 16192 1 108 . 2 2 13 13 VAL CG2 C 13 17.952 0.2 . 2 . . . . 13 V CG2 . 16192 1 109 . 2 2 13 13 VAL N N 15 116.095 0.2 . 1 . . . . 13 V N . 16192 1 110 . 2 2 14 14 LYS H H 1 9.298 0.05 . 1 . . . . 14 K HN . 16192 1 111 . 2 2 14 14 LYS HA H 1 5.012 0.05 . 1 . . . . 14 K HA . 16192 1 112 . 2 2 14 14 LYS HB2 H 1 1.590 0.05 . 2 . . . . 14 K HB2 . 16192 1 113 . 2 2 14 14 LYS HB3 H 1 1.319 0.05 . 2 . . . . 14 K HB3 . 16192 1 114 . 2 2 14 14 LYS HD2 H 1 1.269 0.05 . 2 . . . . 14 K HD2 . 16192 1 115 . 2 2 14 14 LYS HD3 H 1 1.190 0.05 . 2 . . . . 14 K HD3 . 16192 1 116 . 2 2 14 14 LYS HE2 H 1 2.496 0.05 . 2 . . . . 14 K HE2 . 16192 1 117 . 2 2 14 14 LYS HE3 H 1 2.213 0.05 . 2 . . . . 14 K HE3 . 16192 1 118 . 2 2 14 14 LYS HG2 H 1 0.818 0.05 . 2 . . . . 14 K HG2 . 16192 1 119 . 2 2 14 14 LYS HG3 H 1 0.485 0.05 . 2 . . . . 14 K HG3 . 16192 1 120 . 2 2 14 14 LYS CA C 13 54.036 0.2 . 1 . . . . 14 K CA . 16192 1 121 . 2 2 14 14 LYS CB C 13 36.217 0.2 . 1 . . . . 14 K CB . 16192 1 122 . 2 2 14 14 LYS CD C 13 29.161 0.2 . 1 . . . . 14 K CD . 16192 1 123 . 2 2 14 14 LYS CE C 13 41.984 0.2 . 1 . . . . 14 K CE . 16192 1 124 . 2 2 14 14 LYS CG C 13 24.962 0.2 . 1 . . . . 14 K CG . 16192 1 125 . 2 2 14 14 LYS N N 15 123.329 0.2 . 1 . . . . 14 K N . 16192 1 126 . 2 2 15 15 LEU H H 1 9.007 0.05 . 1 . . . . 15 L HN . 16192 1 127 . 2 2 15 15 LEU HA H 1 5.492 0.05 . 1 . . . . 15 L HA . 16192 1 128 . 2 2 15 15 LEU HB2 H 1 1.434 0.05 . 2 . . . . 15 L HB2 . 16192 1 129 . 2 2 15 15 LEU HB3 H 1 1.174 0.05 . 2 . . . . 15 L HB3 . 16192 1 130 . 2 2 15 15 LEU HD11 H 1 0.701 0.05 . . . . . . 15 L QD1 . 16192 1 131 . 2 2 15 15 LEU HD12 H 1 0.701 0.05 . . . . . . 15 L QD1 . 16192 1 132 . 2 2 15 15 LEU HD13 H 1 0.701 0.05 . . . . . . 15 L QD1 . 16192 1 133 . 2 2 15 15 LEU HD21 H 1 0.800 0.05 . . . . . . 15 L QD2 . 16192 1 134 . 2 2 15 15 LEU HD22 H 1 0.800 0.05 . . . . . . 15 L QD2 . 16192 1 135 . 2 2 15 15 LEU HD23 H 1 0.800 0.05 . . . . . . 15 L QD2 . 16192 1 136 . 2 2 15 15 LEU HG H 1 1.595 0.05 . 1 . . . . 15 L HG . 16192 1 137 . 2 2 15 15 LEU CA C 13 52.631 0.2 . 1 . . . . 15 L CA . 16192 1 138 . 2 2 15 15 LEU CB C 13 44.259 0.2 . 1 . . . . 15 L CB . 16192 1 139 . 2 2 15 15 LEU CD1 C 13 26.203 0.2 . 2 . . . . 15 L CD1 . 16192 1 140 . 2 2 15 15 LEU CD2 C 13 25.114 0.2 . 2 . . . . 15 L CD2 . 16192 1 141 . 2 2 15 15 LEU CG C 13 28.126 0.2 . 1 . . . . 15 L CG . 16192 1 142 . 2 2 15 15 LEU N N 15 124.753 0.2 . 1 . . . . 15 L N . 16192 1 143 . 2 2 16 16 ARG H H 1 9.116 0.05 . 1 . . . . 16 R HN . 16192 1 144 . 2 2 16 16 ARG HA H 1 4.835 0.05 . 1 . . . . 16 R HA . 16192 1 145 . 2 2 16 16 ARG HB2 H 1 2.018 0.05 . 2 . . . . 16 R HB2 . 16192 1 146 . 2 2 16 16 ARG HB3 H 1 1.500 0.05 . 2 . . . . 16 R HB3 . 16192 1 147 . 2 2 16 16 ARG HG2 H 1 1.540 0.05 . 2 . . . . 16 R HG2 . 16192 1 148 . 2 2 16 16 ARG HG3 H 1 1.471 0.05 . 2 . . . . 16 R HG3 . 16192 1 149 . 2 2 16 16 ARG CA C 13 56.089 0.2 . 1 . . . . 16 R CA . 16192 1 150 . 2 2 16 16 ARG CB C 13 35.851 0.2 . 1 . . . . 16 R CB . 16192 1 151 . 2 2 16 16 ARG CG C 13 27.454 0.2 . 1 . . . . 16 R CG . 16192 1 152 . 2 2 16 16 ARG N N 15 119.952 0.2 . 1 . . . . 16 R N . 16192 1 153 . 2 2 17 17 GLY H H 1 7.713 0.05 . 1 . . . . 17 G HN . 16192 1 154 . 2 2 17 17 GLY HA2 H 1 4.694 0.05 . . . . . . 17 G HA2 . 16192 1 155 . 2 2 17 17 GLY HA3 H 1 3.543 0.05 . 2 . . . . 17 G HA3 . 16192 1 156 . 2 2 17 17 GLY CA C 13 45.386 0.2 . 1 . . . . 17 G CA . 16192 1 157 . 2 2 17 17 GLY N N 15 114.413 0.2 . 1 . . . . 17 G N . 16192 1 158 . 2 2 18 18 LEU H H 1 8.691 0.05 . 1 . . . . 18 L HN . 16192 1 159 . 2 2 18 18 LEU HA H 1 3.862 0.05 . 1 . . . . 18 L HA . 16192 1 160 . 2 2 18 18 LEU HB2 H 1 1.442 0.05 . 2 . . . . 18 L HB2 . 16192 1 161 . 2 2 18 18 LEU HB3 H 1 1.396 0.05 . 2 . . . . 18 L HB3 . 16192 1 162 . 2 2 18 18 LEU HD11 H 1 0.655 0.05 . . . . . . 18 L QD1 . 16192 1 163 . 2 2 18 18 LEU HD12 H 1 0.655 0.05 . . . . . . 18 L QD1 . 16192 1 164 . 2 2 18 18 LEU HD13 H 1 0.655 0.05 . . . . . . 18 L QD1 . 16192 1 165 . 2 2 18 18 LEU HD21 H 1 0.688 0.05 . . . . . . 18 L QD2 . 16192 1 166 . 2 2 18 18 LEU HD22 H 1 0.688 0.05 . . . . . . 18 L QD2 . 16192 1 167 . 2 2 18 18 LEU HD23 H 1 0.688 0.05 . . . . . . 18 L QD2 . 16192 1 168 . 2 2 18 18 LEU HG H 1 1.382 0.05 . 1 . . . . 18 L HG . 16192 1 169 . 2 2 18 18 LEU CA C 13 53.398 0.2 . 1 . . . . 18 L CA . 16192 1 170 . 2 2 18 18 LEU CB C 13 40.745 0.2 . 1 . . . . 18 L CB . 16192 1 171 . 2 2 18 18 LEU CD1 C 13 26.569 0.2 . 2 . . . . 18 L CD1 . 16192 1 172 . 2 2 18 18 LEU CD2 C 13 23.636 0.2 . 2 . . . . 18 L CD2 . 16192 1 173 . 2 2 18 18 LEU CG C 13 26.761 0.2 . 1 . . . . 18 L CG . 16192 1 174 . 2 2 18 18 LEU N N 15 119.862 0.2 . 1 . . . . 18 L N . 16192 1 175 . 2 2 19 19 PRO HA H 1 4.348 0.05 . 1 . . . . 19 P HA . 16192 1 176 . 2 2 19 19 PRO HB2 H 1 2.208 0.05 . 2 . . . . 19 P HB2 . 16192 1 177 . 2 2 19 19 PRO HB3 H 1 1.883 0.05 . 2 . . . . 19 P HB3 . 16192 1 178 . 2 2 19 19 PRO HD2 H 1 3.770 0.05 . 2 . . . . 19 P HD2 . 16192 1 179 . 2 2 19 19 PRO HD3 H 1 3.569 0.05 . 2 . . . . 19 P HD3 . 16192 1 180 . 2 2 19 19 PRO HG2 H 1 1.950 0.05 . 2 . . . . 19 P QG . 16192 1 181 . 2 2 19 19 PRO HG3 H 1 1.950 0.05 . 2 . . . . 19 P QG . 16192 1 182 . 2 2 19 19 PRO CA C 13 63.323 0.2 . 1 . . . . 19 P CA . 16192 1 183 . 2 2 19 19 PRO CB C 13 32.078 0.2 . 1 . . . . 19 P CB . 16192 1 184 . 2 2 19 19 PRO CD C 13 50.961 0.2 . 1 . . . . 19 P CD . 16192 1 185 . 2 2 19 19 PRO CG C 13 27.210 0.2 . 1 . . . . 19 P CG . 16192 1 186 . 2 2 20 20 TRP H H 1 8.143 0.05 . 1 . . . . 20 W HN . 16192 1 187 . 2 2 20 20 TRP HA H 1 4.563 0.05 . 1 . . . . 20 W HA . 16192 1 188 . 2 2 20 20 TRP HB2 H 1 3.246 0.05 . 2 . . . . 20 W HB2 . 16192 1 189 . 2 2 20 20 TRP HB3 H 1 3.016 0.05 . 2 . . . . 20 W HB3 . 16192 1 190 . 2 2 20 20 TRP HD1 H 1 6.707 0.05 . 1 . . . . 20 W HD1 . 16192 1 191 . 2 2 20 20 TRP HE1 H 1 9.054 0.05 . 1 . . . . 20 W HE1 . 16192 1 192 . 2 2 20 20 TRP HE3 H 1 7.179 0.05 . 1 . . . . 20 W HE3 . 16192 1 193 . 2 2 20 20 TRP HH2 H 1 6.565 0.05 . 1 . . . . 20 W HH2 . 16192 1 194 . 2 2 20 20 TRP HZ2 H 1 6.535 0.05 . 1 . . . . 20 W HZ2 . 16192 1 195 . 2 2 20 20 TRP HZ3 H 1 6.580 0.05 . 1 . . . . 20 W HZ3 . 16192 1 196 . 2 2 20 20 TRP CB C 13 28.519 0.2 . 1 . . . . 20 W CB . 16192 1 197 . 2 2 20 20 TRP N N 15 124.791 0.2 . 1 . . . . 20 W N . 16192 1 198 . 2 2 20 20 TRP NE1 N 15 127.934 0.2 . 1 . . . . 20 W NE1 . 16192 1 199 . 2 2 21 21 SER H H 1 7.912 0.05 . 1 . . . . 21 S HN . 16192 1 200 . 2 2 21 21 SER HA H 1 4.383 0.05 . 1 . . . . 21 S HA . 16192 1 201 . 2 2 21 21 SER HB2 H 1 4.078 0.05 . 2 . . . . 21 S HB2 . 16192 1 202 . 2 2 21 21 SER HB3 H 1 3.866 0.05 . 2 . . . . 21 S HB3 . 16192 1 203 . 2 2 21 21 SER CA C 13 58.279 0.2 . 1 . . . . 21 S CA . 16192 1 204 . 2 2 21 21 SER CB C 13 61.401 0.2 . 1 . . . . 21 S CB . 16192 1 205 . 2 2 21 21 SER N N 15 109.433 0.2 . 1 . . . . 21 S N . 16192 1 206 . 2 2 22 22 CYS H H 1 7.536 0.05 . 1 . . . . 22 C HN . 16192 1 207 . 2 2 22 22 CYS HA H 1 4.490 0.05 . 1 . . . . 22 C HA . 16192 1 208 . 2 2 22 22 CYS HB2 H 1 3.250 0.05 . 2 . . . . 22 C HB2 . 16192 1 209 . 2 2 22 22 CYS HB3 H 1 2.727 0.05 . 2 . . . . 22 C HB3 . 16192 1 210 . 2 2 22 22 CYS CA C 13 59.200 0.2 . 1 . . . . 22 C CA . 16192 1 211 . 2 2 22 22 CYS CB C 13 28.090 0.2 . 1 . . . . 22 C CB . 16192 1 212 . 2 2 22 22 CYS N N 15 121.067 0.2 . 1 . . . . 22 C N . 16192 1 213 . 2 2 23 23 SER H H 1 9.294 0.05 . 1 . . . . 23 S HN . 16192 1 214 . 2 2 23 23 SER HA H 1 5.018 0.05 . 1 . . . . 23 S HA . 16192 1 215 . 2 2 23 23 SER HB2 H 1 4.444 0.05 . 2 . . . . 23 S HB2 . 16192 1 216 . 2 2 23 23 SER HB3 H 1 3.998 0.05 . 2 . . . . 23 S HB3 . 16192 1 217 . 2 2 23 23 SER CA C 13 56.148 0.2 . 1 . . . . 23 S CA . 16192 1 218 . 2 2 23 23 SER CB C 13 67.389 0.2 . 1 . . . . 23 S CB . 16192 1 219 . 2 2 23 23 SER N N 15 120.735 0.2 . 1 . . . . 23 S N . 16192 1 220 . 2 2 24 24 VAL H H 1 9.115 0.05 . 1 . . . . 24 V HN . 16192 1 221 . 2 2 24 24 VAL HA H 1 3.704 0.05 . 1 . . . . 24 V HA . 16192 1 222 . 2 2 24 24 VAL HB H 1 2.150 0.05 . 1 . . . . 24 V HB . 16192 1 223 . 2 2 24 24 VAL HG11 H 1 1.144 0.05 . . . . . . 24 V QG1 . 16192 1 224 . 2 2 24 24 VAL HG12 H 1 1.144 0.05 . . . . . . 24 V QG1 . 16192 1 225 . 2 2 24 24 VAL HG13 H 1 1.144 0.05 . . . . . . 24 V QG1 . 16192 1 226 . 2 2 24 24 VAL HG21 H 1 0.986 0.05 . . . . . . 24 V QG2 . 16192 1 227 . 2 2 24 24 VAL HG22 H 1 0.986 0.05 . . . . . . 24 V QG2 . 16192 1 228 . 2 2 24 24 VAL HG23 H 1 0.986 0.05 . . . . . . 24 V QG2 . 16192 1 229 . 2 2 24 24 VAL CA C 13 67.418 0.2 . 1 . . . . 24 V CA . 16192 1 230 . 2 2 24 24 VAL CB C 13 31.581 0.2 . 1 . . . . 24 V CB . 16192 1 231 . 2 2 24 24 VAL CG1 C 13 22.813 0.2 . 2 . . . . 24 V CG1 . 16192 1 232 . 2 2 24 24 VAL CG2 C 13 21.131 0.2 . 2 . . . . 24 V CG2 . 16192 1 233 . 2 2 24 24 VAL N N 15 120.739 0.2 . 1 . . . . 24 V N . 16192 1 234 . 2 2 25 25 GLU H H 1 8.637 0.05 . 1 . . . . 25 E HN . 16192 1 235 . 2 2 25 25 GLU HA H 1 4.135 0.05 . 1 . . . . 25 E HA . 16192 1 236 . 2 2 25 25 GLU HB2 H 1 2.038 0.05 . 2 . . . . 25 E HB2 . 16192 1 237 . 2 2 25 25 GLU HB3 H 1 1.901 0.05 . 2 . . . . 25 E HB3 . 16192 1 238 . 2 2 25 25 GLU HG2 H 1 2.372 0.05 . 2 . . . . 25 E HG2 . 16192 1 239 . 2 2 25 25 GLU HG3 H 1 2.239 0.05 . 2 . . . . 25 E HG3 . 16192 1 240 . 2 2 25 25 GLU CA C 13 60.191 0.2 . 1 . . . . 25 E CA . 16192 1 241 . 2 2 25 25 GLU CB C 13 28.932 0.2 . 1 . . . . 25 E CB . 16192 1 242 . 2 2 25 25 GLU CG C 13 37.019 0.2 . 1 . . . . 25 E CG . 16192 1 243 . 2 2 25 25 GLU N N 15 120.987 0.2 . 1 . . . . 25 E N . 16192 1 244 . 2 2 26 26 ASP H H 1 7.947 0.05 . 1 . . . . 26 D HN . 16192 1 245 . 2 2 26 26 ASP HA H 1 4.415 0.05 . 1 . . . . 26 D HA . 16192 1 246 . 2 2 26 26 ASP HB2 H 1 3.278 0.05 . 2 . . . . 26 D HB2 . 16192 1 247 . 2 2 26 26 ASP HB3 H 1 2.761 0.05 . 2 . . . . 26 D HB3 . 16192 1 248 . 2 2 26 26 ASP CA C 13 57.742 0.2 . 1 . . . . 26 D CA . 16192 1 249 . 2 2 26 26 ASP CB C 13 41.277 0.2 . 1 . . . . 26 D CB . 16192 1 250 . 2 2 26 26 ASP N N 15 119.617 0.2 . 1 . . . . 26 D N . 16192 1 251 . 2 2 27 27 VAL H H 1 7.530 0.05 . 1 . . . . 27 V HN . 16192 1 252 . 2 2 27 27 VAL HA H 1 3.357 0.05 . 1 . . . . 27 V HA . 16192 1 253 . 2 2 27 27 VAL HB H 1 2.229 0.05 . 1 . . . . 27 V HB . 16192 1 254 . 2 2 27 27 VAL HG11 H 1 0.861 0.05 . . . . . . 27 V QG1 . 16192 1 255 . 2 2 27 27 VAL HG12 H 1 0.861 0.05 . . . . . . 27 V QG1 . 16192 1 256 . 2 2 27 27 VAL HG13 H 1 0.861 0.05 . . . . . . 27 V QG1 . 16192 1 257 . 2 2 27 27 VAL HG21 H 1 0.672 0.05 . . . . . . 27 V QG2 . 16192 1 258 . 2 2 27 27 VAL HG22 H 1 0.672 0.05 . . . . . . 27 V QG2 . 16192 1 259 . 2 2 27 27 VAL HG23 H 1 0.672 0.05 . . . . . . 27 V QG2 . 16192 1 260 . 2 2 27 27 VAL CA C 13 67.278 0.2 . 1 . . . . 27 V CA . 16192 1 261 . 2 2 27 27 VAL CB C 13 31.140 0.2 . 1 . . . . 27 V CB . 16192 1 262 . 2 2 27 27 VAL CG1 C 13 23.549 0.2 . 2 . . . . 27 V CG1 . 16192 1 263 . 2 2 27 27 VAL CG2 C 13 22.480 0.2 . 2 . . . . 27 V CG2 . 16192 1 264 . 2 2 27 27 VAL N N 15 121.148 0.2 . 1 . . . . 27 V N . 16192 1 265 . 2 2 28 28 GLN H H 1 8.375 0.05 . 1 . . . . 28 Q HN . 16192 1 266 . 2 2 28 28 GLN HA H 1 3.671 0.05 . 1 . . . . 28 Q HA . 16192 1 267 . 2 2 28 28 GLN HB2 H 1 2.151 0.05 . 2 . . . . 28 Q HB2 . 16192 1 268 . 2 2 28 28 GLN HB3 H 1 1.987 0.05 . 2 . . . . 28 Q HB3 . 16192 1 269 . 2 2 28 28 GLN HE21 H 1 7.034 0.05 . 2 . . . . 28 Q HE21 . 16192 1 270 . 2 2 28 28 GLN HE22 H 1 6.597 0.05 . 2 . . . . 28 Q HE22 . 16192 1 271 . 2 2 28 28 GLN HG2 H 1 2.317 0.05 . 2 . . . . 28 Q HG2 . 16192 1 272 . 2 2 28 28 GLN HG3 H 1 2.001 0.05 . 2 . . . . 28 Q HG3 . 16192 1 273 . 2 2 28 28 GLN CA C 13 59.581 0.2 . 1 . . . . 28 Q CA . 16192 1 274 . 2 2 28 28 GLN CB C 13 29.262 0.2 . 1 . . . . 28 Q CB . 16192 1 275 . 2 2 28 28 GLN CG C 13 35.021 0.2 . 1 . . . . 28 Q CG . 16192 1 276 . 2 2 28 28 GLN N N 15 118.684 0.2 . 1 . . . . 28 Q N . 16192 1 277 . 2 2 28 28 GLN NE2 N 15 109.072 0.2 . 1 . . . . 28 Q NE2 . 16192 1 278 . 2 2 29 29 ASN H H 1 8.321 0.05 . 1 . . . . 29 N HN . 16192 1 279 . 2 2 29 29 ASN HA H 1 4.418 0.05 . 1 . . . . 29 N HA . 16192 1 280 . 2 2 29 29 ASN HB2 H 1 2.877 0.05 . 2 . . . . 29 N HB2 . 16192 1 281 . 2 2 29 29 ASN HB3 H 1 2.840 0.05 . 2 . . . . 29 N HB3 . 16192 1 282 . 2 2 29 29 ASN HD21 H 1 7.702 0.05 . 2 . . . . 29 N HD21 . 16192 1 283 . 2 2 29 29 ASN HD22 H 1 6.972 0.05 . 2 . . . . 29 N HD22 . 16192 1 284 . 2 2 29 29 ASN CA C 13 55.427 0.2 . 1 . . . . 29 N CA . 16192 1 285 . 2 2 29 29 ASN CB C 13 38.375 0.2 . 1 . . . . 29 N CB . 16192 1 286 . 2 2 29 29 ASN N N 15 115.422 0.2 . 1 . . . . 29 N N . 16192 1 287 . 2 2 29 29 ASN ND2 N 15 113.128 0.2 . 1 . . . . 29 N ND2 . 16192 1 288 . 2 2 30 30 PHE H H 1 8.014 0.05 . 1 . . . . 30 F HN . 16192 1 289 . 2 2 30 30 PHE HA H 1 4.329 0.05 . 1 . . . . 30 F HA . 16192 1 290 . 2 2 30 30 PHE HB2 H 1 3.312 0.05 . 2 . . . . 30 F HB2 . 16192 1 291 . 2 2 30 30 PHE HB3 H 1 3.055 0.05 . 2 . . . . 30 F HB3 . 16192 1 292 . 2 2 30 30 PHE HD1 H 1 7.085 0.05 . 3 . . . . 30 F QD . 16192 1 293 . 2 2 30 30 PHE HD2 H 1 7.085 0.05 . 3 . . . . 30 F QD . 16192 1 294 . 2 2 30 30 PHE HE1 H 1 6.916 0.05 . 3 . . . . 30 F QE . 16192 1 295 . 2 2 30 30 PHE HE2 H 1 6.916 0.05 . 3 . . . . 30 F QE . 16192 1 296 . 2 2 30 30 PHE CA C 13 61.233 0.2 . 1 . . . . 30 F CA . 16192 1 297 . 2 2 30 30 PHE CB C 13 40.212 0.2 . 1 . . . . 30 F CB . 16192 1 298 . 2 2 30 30 PHE N N 15 123.042 0.2 . 1 . . . . 30 F N . 16192 1 299 . 2 2 31 31 LEU H H 1 7.681 0.05 . 1 . . . . 31 L HN . 16192 1 300 . 2 2 31 31 LEU HA H 1 4.419 0.05 . 1 . . . . 31 L HA . 16192 1 301 . 2 2 31 31 LEU HB2 H 1 1.700 0.05 . 2 . . . . 31 L HB2 . 16192 1 302 . 2 2 31 31 LEU HB3 H 1 1.531 0.05 . 2 . . . . 31 L HB3 . 16192 1 303 . 2 2 31 31 LEU HD11 H 1 0.770 0.05 . . . . . . 31 L QD1 . 16192 1 304 . 2 2 31 31 LEU HD12 H 1 0.770 0.05 . . . . . . 31 L QD1 . 16192 1 305 . 2 2 31 31 LEU HD13 H 1 0.770 0.05 . . . . . . 31 L QD1 . 16192 1 306 . 2 2 31 31 LEU HD21 H 1 0.773 0.05 . . . . . . 31 L QD2 . 16192 1 307 . 2 2 31 31 LEU HD22 H 1 0.773 0.05 . . . . . . 31 L QD2 . 16192 1 308 . 2 2 31 31 LEU HD23 H 1 0.773 0.05 . . . . . . 31 L QD2 . 16192 1 309 . 2 2 31 31 LEU HG H 1 1.871 0.05 . 1 . . . . 31 L HG . 16192 1 310 . 2 2 31 31 LEU CA C 13 52.039 0.2 . 1 . . . . 31 L CA . 16192 1 311 . 2 2 31 31 LEU CB C 13 39.760 0.2 . 1 . . . . 31 L CB . 16192 1 312 . 2 2 31 31 LEU CD1 C 13 22.689 0.2 . 2 . . . . 31 L CD1 . 16192 1 313 . 2 2 31 31 LEU CD2 C 13 22.737 0.2 . 2 . . . . 31 L CD2 . 16192 1 314 . 2 2 31 31 LEU CG C 13 26.561 0.2 . 1 . . . . 31 L CG . 16192 1 315 . 2 2 31 31 LEU N N 15 117.883 0.2 . 1 . . . . 31 L N . 16192 1 316 . 2 2 32 32 SER H H 1 6.860 0.05 . 1 . . . . 32 S HN . 16192 1 317 . 2 2 32 32 SER HA H 1 4.076 0.05 . 1 . . . . 32 S HA . 16192 1 318 . 2 2 32 32 SER HB2 H 1 4.109 0.05 . 2 . . . . 32 S HB2 . 16192 1 319 . 2 2 32 32 SER HB3 H 1 3.939 0.05 . 2 . . . . 32 S HB3 . 16192 1 320 . 2 2 32 32 SER CA C 13 61.427 0.2 . 1 . . . . 32 S CA . 16192 1 321 . 2 2 32 32 SER CB C 13 62.983 0.2 . 1 . . . . 32 S CB . 16192 1 322 . 2 2 32 32 SER N N 15 114.284 0.2 . 1 . . . . 32 S N . 16192 1 323 . 2 2 33 33 ASP H H 1 8.499 0.05 . 1 . . . . 33 D HN . 16192 1 324 . 2 2 33 33 ASP HA H 1 4.521 0.05 . 1 . . . . 33 D HA . 16192 1 325 . 2 2 33 33 ASP HB2 H 1 2.787 0.05 . 2 . . . . 33 D HB2 . 16192 1 326 . 2 2 33 33 ASP HB3 H 1 2.688 0.05 . 2 . . . . 33 D HB3 . 16192 1 327 . 2 2 33 33 ASP CA C 13 54.870 0.2 . 1 . . . . 33 D CA . 16192 1 328 . 2 2 33 33 ASP CB C 13 40.666 0.2 . 1 . . . . 33 D CB . 16192 1 329 . 2 2 33 33 ASP N N 15 118.391 0.2 . 1 . . . . 33 D N . 16192 1 330 . 2 2 34 34 CYS H H 1 7.925 0.05 . 1 . . . . 34 C HN . 16192 1 331 . 2 2 34 34 CYS HA H 1 4.585 0.05 . 1 . . . . 34 C HA . 16192 1 332 . 2 2 34 34 CYS HB2 H 1 2.878 0.05 . 2 . . . . 34 C HB2 . 16192 1 333 . 2 2 34 34 CYS HB3 H 1 2.565 0.05 . 2 . . . . 34 C HB3 . 16192 1 334 . 2 2 34 34 CYS CB C 13 30.013 0.2 . 1 . . . . 34 C CB . 16192 1 335 . 2 2 34 34 CYS N N 15 116.657 0.2 . 1 . . . . 34 C N . 16192 1 336 . 2 2 35 35 THR H H 1 8.680 0.05 . 1 . . . . 35 T HN . 16192 1 337 . 2 2 35 35 THR HA H 1 4.171 0.05 . 1 . . . . 35 T HA . 16192 1 338 . 2 2 35 35 THR HB H 1 4.228 0.05 . 1 . . . . 35 T HB . 16192 1 339 . 2 2 35 35 THR HG21 H 1 1.076 0.05 . . . . . . 35 T QG2 . 16192 1 340 . 2 2 35 35 THR HG22 H 1 1.076 0.05 . . . . . . 35 T QG2 . 16192 1 341 . 2 2 35 35 THR HG23 H 1 1.076 0.05 . . . . . . 35 T QG2 . 16192 1 342 . 2 2 35 35 THR CA C 13 62.952 0.2 . 1 . . . . 35 T CA . 16192 1 343 . 2 2 35 35 THR CB C 13 68.802 0.2 . 1 . . . . 35 T CB . 16192 1 344 . 2 2 35 35 THR CG2 C 13 21.254 0.2 . 1 . . . . 35 T CG2 . 16192 1 345 . 2 2 35 35 THR N N 15 122.118 0.2 . 1 . . . . 35 T N . 16192 1 346 . 2 2 36 36 ILE H H 1 8.530 0.05 . 1 . . . . 36 I HN . 16192 1 347 . 2 2 36 36 ILE HA H 1 4.197 0.05 . 1 . . . . 36 I HA . 16192 1 348 . 2 2 36 36 ILE HB H 1 1.547 0.05 . 1 . . . . 36 I HB . 16192 1 349 . 2 2 36 36 ILE HD11 H 1 0.635 0.05 . . . . . . 36 I QD1 . 16192 1 350 . 2 2 36 36 ILE HD12 H 1 0.635 0.05 . . . . . . 36 I QD1 . 16192 1 351 . 2 2 36 36 ILE HD13 H 1 0.635 0.05 . . . . . . 36 I QD1 . 16192 1 352 . 2 2 36 36 ILE HG12 H 1 1.485 0.05 . . . . . . 36 I QG1 . 16192 1 353 . 2 2 36 36 ILE HG13 H 1 1.485 0.05 . . . . . . 36 I QG1 . 16192 1 354 . 2 2 36 36 ILE HG21 H 1 0.910 0.05 . . . . . . 36 I QG2 . 16192 1 355 . 2 2 36 36 ILE HG22 H 1 0.910 0.05 . . . . . . 36 I QG2 . 16192 1 356 . 2 2 36 36 ILE HG23 H 1 0.910 0.05 . . . . . . 36 I QG2 . 16192 1 357 . 2 2 36 36 ILE CA C 13 61.262 0.2 . 1 . . . . 36 I CA . 16192 1 358 . 2 2 36 36 ILE CB C 13 38.325 0.2 . 1 . . . . 36 I CB . 16192 1 359 . 2 2 36 36 ILE CD1 C 13 13.743 0.2 . 1 . . . . 36 I CD1 . 16192 1 360 . 2 2 36 36 ILE CG1 C 13 27.583 0.2 . 1 . . . . 36 I CG1 . 16192 1 361 . 2 2 36 36 ILE CG2 C 13 17.369 0.2 . 1 . . . . 36 I CG2 . 16192 1 362 . 2 2 36 36 ILE N N 15 129.775 0.2 . 1 . . . . 36 I N . 16192 1 363 . 2 2 37 37 HIS H H 1 8.865 0.05 . 1 . . . . 37 H HN . 16192 1 364 . 2 2 37 37 HIS HA H 1 4.108 0.05 . 1 . . . . 37 H HA . 16192 1 365 . 2 2 37 37 HIS HB2 H 1 2.816 0.05 . 2 . . . . 37 H HB2 . 16192 1 366 . 2 2 37 37 HIS HB3 H 1 2.496 0.05 . 2 . . . . 37 H HB3 . 16192 1 367 . 2 2 37 37 HIS HD2 H 1 7.003 0.05 . 1 . . . . 37 H HD2 . 16192 1 368 . 2 2 37 37 HIS HE1 H 1 8.011 0.05 . 1 . . . . 37 H HE1 . 16192 1 369 . 2 2 37 37 HIS CA C 13 57.381 0.2 . 1 . . . . 37 H CA . 16192 1 370 . 2 2 37 37 HIS CB C 13 29.823 0.2 . 1 . . . . 37 H CB . 16192 1 371 . 2 2 37 37 HIS N N 15 131.331 0.2 . 1 . . . . 37 H N . 16192 1 372 . 2 2 38 38 ASP H H 1 8.178 0.05 . 1 . . . . 38 D HN . 16192 1 373 . 2 2 38 38 ASP HA H 1 3.983 0.05 . 1 . . . . 38 D HA . 16192 1 374 . 2 2 38 38 ASP HB2 H 1 2.747 0.05 . 2 . . . . 38 D HB2 . 16192 1 375 . 2 2 38 38 ASP HB3 H 1 2.158 0.05 . 2 . . . . 38 D HB3 . 16192 1 376 . 2 2 38 38 ASP CA C 13 54.995 0.2 . 1 . . . . 38 D CA . 16192 1 377 . 2 2 38 38 ASP CB C 13 39.167 0.2 . 1 . . . . 38 D CB . 16192 1 378 . 2 2 38 38 ASP N N 15 121.191 0.2 . 1 . . . . 38 D N . 16192 1 379 . 2 2 39 39 GLY H H 1 7.738 0.05 . 1 . . . . 39 G HN . 16192 1 380 . 2 2 39 39 GLY HA2 H 1 3.736 0.05 . . . . . . 39 G HA2 . 16192 1 381 . 2 2 39 39 GLY HA3 H 1 3.398 0.05 . 2 . . . . 39 G HA3 . 16192 1 382 . 2 2 39 39 GLY CA C 13 46.511 0.2 . 1 . . . . 39 G CA . 16192 1 383 . 2 2 39 39 GLY N N 15 106.921 0.2 . 1 . . . . 39 G N . 16192 1 384 . 2 2 40 40 ALA H H 1 8.614 0.05 . 1 . . . . 40 A HN . 16192 1 385 . 2 2 40 40 ALA HA H 1 3.649 0.05 . 1 . . . . 40 A HA . 16192 1 386 . 2 2 40 40 ALA HB1 H 1 1.391 0.05 . . . . . . 40 A QB . 16192 1 387 . 2 2 40 40 ALA HB2 H 1 1.391 0.05 . . . . . . 40 A QB . 16192 1 388 . 2 2 40 40 ALA HB3 H 1 1.391 0.05 . . . . . . 40 A QB . 16192 1 389 . 2 2 40 40 ALA CA C 13 54.797 0.2 . 1 . . . . 40 A CA . 16192 1 390 . 2 2 40 40 ALA CB C 13 18.665 0.2 . 1 . . . . 40 A CB . 16192 1 391 . 2 2 40 40 ALA N N 15 126.900 0.2 . 1 . . . . 40 A N . 16192 1 392 . 2 2 41 41 ALA H H 1 7.376 0.05 . 1 . . . . 41 A HN . 16192 1 393 . 2 2 41 41 ALA HA H 1 4.135 0.05 . 1 . . . . 41 A HA . 16192 1 394 . 2 2 41 41 ALA HB1 H 1 1.433 0.05 . . . . . . 41 A QB . 16192 1 395 . 2 2 41 41 ALA HB2 H 1 1.433 0.05 . . . . . . 41 A QB . 16192 1 396 . 2 2 41 41 ALA HB3 H 1 1.433 0.05 . . . . . . 41 A QB . 16192 1 397 . 2 2 41 41 ALA CA C 13 53.135 0.2 . 1 . . . . 41 A CA . 16192 1 398 . 2 2 41 41 ALA CB C 13 18.278 0.2 . 1 . . . . 41 A CB . 16192 1 399 . 2 2 41 41 ALA N N 15 116.280 0.2 . 1 . . . . 41 A N . 16192 1 400 . 2 2 42 42 GLY H H 1 8.025 0.05 . 1 . . . . 42 G HN . 16192 1 401 . 2 2 42 42 GLY HA2 H 1 4.331 0.05 . . . . . . 42 G HA2 . 16192 1 402 . 2 2 42 42 GLY HA3 H 1 4.146 0.05 . 2 . . . . 42 G HA3 . 16192 1 403 . 2 2 42 42 GLY CA C 13 45.309 0.2 . 1 . . . . 42 G CA . 16192 1 404 . 2 2 42 42 GLY N N 15 107.377 0.2 . 1 . . . . 42 G N . 16192 1 405 . 2 2 43 43 VAL H H 1 6.914 0.05 . 1 . . . . 43 V HN . 16192 1 406 . 2 2 43 43 VAL HA H 1 4.058 0.05 . 1 . . . . 43 V HA . 16192 1 407 . 2 2 43 43 VAL HB H 1 2.023 0.05 . 1 . . . . 43 V HB . 16192 1 408 . 2 2 43 43 VAL HG11 H 1 0.775 0.05 . . . . . . 43 V QG1 . 16192 1 409 . 2 2 43 43 VAL HG12 H 1 0.775 0.05 . . . . . . 43 V QG1 . 16192 1 410 . 2 2 43 43 VAL HG13 H 1 0.775 0.05 . . . . . . 43 V QG1 . 16192 1 411 . 2 2 43 43 VAL HG21 H 1 0.252 0.05 . . . . . . 43 V QG2 . 16192 1 412 . 2 2 43 43 VAL HG22 H 1 0.252 0.05 . . . . . . 43 V QG2 . 16192 1 413 . 2 2 43 43 VAL HG23 H 1 0.252 0.05 . . . . . . 43 V QG2 . 16192 1 414 . 2 2 43 43 VAL CA C 13 61.896 0.2 . 1 . . . . 43 V CA . 16192 1 415 . 2 2 43 43 VAL CB C 13 32.010 0.2 . 1 . . . . 43 V CB . 16192 1 416 . 2 2 43 43 VAL CG1 C 13 21.078 0.2 . 2 . . . . 43 V CG1 . 16192 1 417 . 2 2 43 43 VAL N N 15 119.131 0.2 . 1 . . . . 43 V N . 16192 1 418 . 2 2 44 44 HIS H H 1 8.999 0.05 . 1 . . . . 44 H HN . 16192 1 419 . 2 2 44 44 HIS HA H 1 4.992 0.05 . 1 . . . . 44 H HA . 16192 1 420 . 2 2 44 44 HIS HB2 H 1 3.380 0.05 . 2 . . . . 44 H HB2 . 16192 1 421 . 2 2 44 44 HIS HB3 H 1 3.053 0.05 . 2 . . . . 44 H HB3 . 16192 1 422 . 2 2 44 44 HIS HD2 H 1 6.956 0.05 . 1 . . . . 44 H HD2 . 16192 1 423 . 2 2 44 44 HIS HE1 H 1 8.413 0.05 . 1 . . . . 44 H HE1 . 16192 1 424 . 2 2 44 44 HIS CA C 13 52.522 0.2 . 1 . . . . 44 H CA . 16192 1 425 . 2 2 44 44 HIS CB C 13 29.827 0.2 . 1 . . . . 44 H CB . 16192 1 426 . 2 2 44 44 HIS N N 15 124.688 0.2 . 1 . . . . 44 H N . 16192 1 427 . 2 2 45 45 PHE H H 1 8.820 0.05 . 1 . . . . 45 F HN . 16192 1 428 . 2 2 45 45 PHE HA H 1 4.420 0.05 . 1 . . . . 45 F HA . 16192 1 429 . 2 2 45 45 PHE HB2 H 1 2.742 0.05 . 2 . . . . 45 F HB2 . 16192 1 430 . 2 2 45 45 PHE HB3 H 1 2.650 0.05 . 2 . . . . 45 F HB3 . 16192 1 431 . 2 2 45 45 PHE HD1 H 1 7.208 0.05 . 3 . . . . 45 F QD . 16192 1 432 . 2 2 45 45 PHE HD2 H 1 7.208 0.05 . 3 . . . . 45 F QD . 16192 1 433 . 2 2 45 45 PHE HE1 H 1 7.048 0.05 . 3 . . . . 45 F QE . 16192 1 434 . 2 2 45 45 PHE HE2 H 1 7.048 0.05 . 3 . . . . 45 F QE . 16192 1 435 . 2 2 45 45 PHE HZ H 1 6.761 0.05 . 1 . . . . 45 F HZ . 16192 1 436 . 2 2 45 45 PHE CA C 13 59.682 0.2 . 1 . . . . 45 F CA . 16192 1 437 . 2 2 45 45 PHE CB C 13 39.264 0.2 . 1 . . . . 45 F CB . 16192 1 438 . 2 2 45 45 PHE N N 15 124.047 0.2 . 1 . . . . 45 F N . 16192 1 439 . 2 2 46 46 ILE H H 1 7.755 0.05 . 1 . . . . 46 I HN . 16192 1 440 . 2 2 46 46 ILE HA H 1 4.418 0.05 . 1 . . . . 46 I HA . 16192 1 441 . 2 2 46 46 ILE HB H 1 1.733 0.05 . 1 . . . . 46 I HB . 16192 1 442 . 2 2 46 46 ILE HD11 H 1 0.659 0.05 . . . . . . 46 I QD1 . 16192 1 443 . 2 2 46 46 ILE HD12 H 1 0.659 0.05 . . . . . . 46 I QD1 . 16192 1 444 . 2 2 46 46 ILE HD13 H 1 0.659 0.05 . . . . . . 46 I QD1 . 16192 1 445 . 2 2 46 46 ILE HG12 H 1 1.494 0.05 . 2 . . . . 46 I HG12 . 16192 1 446 . 2 2 46 46 ILE HG13 H 1 1.180 0.05 . 2 . . . . 46 I HG13 . 16192 1 447 . 2 2 46 46 ILE HG21 H 1 0.890 0.05 . . . . . . 46 I QG2 . 16192 1 448 . 2 2 46 46 ILE HG22 H 1 0.890 0.05 . . . . . . 46 I QG2 . 16192 1 449 . 2 2 46 46 ILE HG23 H 1 0.890 0.05 . . . . . . 46 I QG2 . 16192 1 450 . 2 2 46 46 ILE CA C 13 59.735 0.2 . 1 . . . . 46 I CA . 16192 1 451 . 2 2 46 46 ILE CB C 13 37.334 0.2 . 1 . . . . 46 I CB . 16192 1 452 . 2 2 46 46 ILE CD1 C 13 12.660 0.2 . 1 . . . . 46 I CD1 . 16192 1 453 . 2 2 46 46 ILE CG1 C 13 27.398 0.2 . 1 . . . . 46 I CG1 . 16192 1 454 . 2 2 46 46 ILE CG2 C 13 17.545 0.2 . 1 . . . . 46 I CG2 . 16192 1 455 . 2 2 46 46 ILE N N 15 119.875 0.2 . 1 . . . . 46 I N . 16192 1 456 . 2 2 47 47 TYR H H 1 9.323 0.05 . 1 . . . . 47 Y HN . 16192 1 457 . 2 2 47 47 TYR HA H 1 5.188 0.05 . 1 . . . . 47 Y HA . 16192 1 458 . 2 2 47 47 TYR HB2 H 1 2.845 0.05 . 2 . . . . 47 Y QB . 16192 1 459 . 2 2 47 47 TYR HB3 H 1 2.845 0.05 . 2 . . . . 47 Y QB . 16192 1 460 . 2 2 47 47 TYR HD1 H 1 6.934 0.05 . 3 . . . . 47 Y QD . 16192 1 461 . 2 2 47 47 TYR HD2 H 1 6.934 0.05 . 3 . . . . 47 Y QD . 16192 1 462 . 2 2 47 47 TYR HE1 H 1 6.828 0.05 . 3 . . . . 47 Y QE . 16192 1 463 . 2 2 47 47 TYR HE2 H 1 6.828 0.05 . 3 . . . . 47 Y QE . 16192 1 464 . 2 2 47 47 TYR CA C 13 57.441 0.2 . 1 . . . . 47 Y CA . 16192 1 465 . 2 2 47 47 TYR CB C 13 40.816 0.2 . 1 . . . . 47 Y CB . 16192 1 466 . 2 2 47 47 TYR N N 15 129.821 0.2 . 1 . . . . 47 Y N . 16192 1 467 . 2 2 48 48 THR H H 1 9.321 0.05 . 1 . . . . 48 T HN . 16192 1 468 . 2 2 48 48 THR HA H 1 4.567 0.05 . 1 . . . . 48 T HA . 16192 1 469 . 2 2 48 48 THR HB H 1 4.718 0.05 . 1 . . . . 48 T HB . 16192 1 470 . 2 2 48 48 THR HG21 H 1 1.152 0.05 . . . . . . 48 T QG2 . 16192 1 471 . 2 2 48 48 THR HG22 H 1 1.152 0.05 . . . . . . 48 T QG2 . 16192 1 472 . 2 2 48 48 THR HG23 H 1 1.152 0.05 . . . . . . 48 T QG2 . 16192 1 473 . 2 2 48 48 THR CG2 C 13 21.630 0.2 . 1 . . . . 48 T CG2 . 16192 1 474 . 2 2 48 48 THR N N 15 111.804 0.2 . 1 . . . . 48 T N . 16192 1 475 . 2 2 49 49 ARG H H 1 8.947 0.05 . 1 . . . . 49 R HN . 16192 1 476 . 2 2 49 49 ARG HA H 1 3.973 0.05 . 1 . . . . 49 R HA . 16192 1 477 . 2 2 49 49 ARG HB2 H 1 1.857 0.05 . 2 . . . . 49 R QB . 16192 1 478 . 2 2 49 49 ARG HB3 H 1 1.857 0.05 . 2 . . . . 49 R QB . 16192 1 479 . 2 2 49 49 ARG HD2 H 1 3.198 0.05 . 2 . . . . 49 R QD . 16192 1 480 . 2 2 49 49 ARG HD3 H 1 3.198 0.05 . 2 . . . . 49 R QD . 16192 1 481 . 2 2 49 49 ARG HG2 H 1 1.688 0.05 . 2 . . . . 49 R QG . 16192 1 482 . 2 2 49 49 ARG HG3 H 1 1.688 0.05 . 2 . . . . 49 R QG . 16192 1 483 . 2 2 49 49 ARG CA C 13 58.394 0.2 . 1 . . . . 49 R CA . 16192 1 484 . 2 2 49 49 ARG CB C 13 29.558 0.2 . 1 . . . . 49 R CB . 16192 1 485 . 2 2 49 49 ARG CD C 13 43.095 0.2 . 1 . . . . 49 R CD . 16192 1 486 . 2 2 49 49 ARG CG C 13 27.037 0.2 . 1 . . . . 49 R CG . 16192 1 487 . 2 2 49 49 ARG N N 15 120.673 0.2 . 1 . . . . 49 R N . 16192 1 488 . 2 2 50 50 GLU H H 1 7.698 0.05 . 1 . . . . 50 E HN . 16192 1 489 . 2 2 50 50 GLU HA H 1 4.270 0.05 . 1 . . . . 50 E HA . 16192 1 490 . 2 2 50 50 GLU HB2 H 1 1.698 0.05 . 2 . . . . 50 E QB . 16192 1 491 . 2 2 50 50 GLU HB3 H 1 1.698 0.05 . 2 . . . . 50 E QB . 16192 1 492 . 2 2 50 50 GLU HG2 H 1 2.232 0.05 . 2 . . . . 50 E HG2 . 16192 1 493 . 2 2 50 50 GLU HG3 H 1 2.119 0.05 . 2 . . . . 50 E HG3 . 16192 1 494 . 2 2 50 50 GLU CA C 13 56.166 0.2 . 1 . . . . 50 E CA . 16192 1 495 . 2 2 50 50 GLU CB C 13 29.485 0.2 . 1 . . . . 50 E CB . 16192 1 496 . 2 2 50 50 GLU CG C 13 36.795 0.2 . 1 . . . . 50 E CG . 16192 1 497 . 2 2 50 50 GLU N N 15 114.601 0.2 . 1 . . . . 50 E N . 16192 1 498 . 2 2 51 51 GLY H H 1 8.165 0.05 . 1 . . . . 51 G HN . 16192 1 499 . 2 2 51 51 GLY HA2 H 1 4.142 0.05 . . . . . . 51 G HA2 . 16192 1 500 . 2 2 51 51 GLY HA3 H 1 3.544 0.05 . 2 . . . . 51 G HA3 . 16192 1 501 . 2 2 51 51 GLY CA C 13 45.367 0.2 . 1 . . . . 51 G CA . 16192 1 502 . 2 2 51 51 GLY N N 15 107.805 0.2 . 1 . . . . 51 G N . 16192 1 503 . 2 2 52 52 ARG H H 1 7.152 0.05 . 1 . . . . 52 R HN . 16192 1 504 . 2 2 52 52 ARG HA H 1 4.550 0.05 . 1 . . . . 52 R HA . 16192 1 505 . 2 2 52 52 ARG HB2 H 1 1.674 0.05 . 2 . . . . 52 R HB2 . 16192 1 506 . 2 2 52 52 ARG HB3 H 1 1.517 0.05 . 2 . . . . 52 R HB3 . 16192 1 507 . 2 2 52 52 ARG HD2 H 1 2.715 0.05 . 2 . . . . 52 R QD . 16192 1 508 . 2 2 52 52 ARG HD3 H 1 2.715 0.05 . 2 . . . . 52 R QD . 16192 1 509 . 2 2 52 52 ARG HG2 H 1 1.359 0.05 . 2 . . . . 52 R QG . 16192 1 510 . 2 2 52 52 ARG HG3 H 1 1.359 0.05 . 2 . . . . 52 R QG . 16192 1 511 . 2 2 52 52 ARG CB C 13 31.521 0.2 . 1 . . . . 52 R CB . 16192 1 512 . 2 2 52 52 ARG CD C 13 43.018 0.2 . 1 . . . . 52 R CD . 16192 1 513 . 2 2 52 52 ARG CG C 13 27.108 0.2 . 1 . . . . 52 R CG . 16192 1 514 . 2 2 52 52 ARG N N 15 118.057 0.2 . 1 . . . . 52 R N . 16192 1 515 . 2 2 53 53 GLN H H 1 8.852 0.05 . 1 . . . . 53 Q HN . 16192 1 516 . 2 2 53 53 GLN HA H 1 3.793 0.05 . 1 . . . . 53 Q HA . 16192 1 517 . 2 2 53 53 GLN HB2 H 1 2.154 0.05 . 2 . . . . 53 Q HB2 . 16192 1 518 . 2 2 53 53 GLN HB3 H 1 1.990 0.05 . 2 . . . . 53 Q HB3 . 16192 1 519 . 2 2 53 53 GLN HE21 H 1 6.821 0.05 . 2 . . . . 53 Q HE21 . 16192 1 520 . 2 2 53 53 GLN HE22 H 1 6.252 0.05 . 2 . . . . 53 Q HE22 . 16192 1 521 . 2 2 53 53 GLN HG2 H 1 2.152 0.05 . 2 . . . . 53 Q HG2 . 16192 1 522 . 2 2 53 53 GLN HG3 H 1 1.993 0.05 . 2 . . . . 53 Q HG3 . 16192 1 523 . 2 2 53 53 GLN CA C 13 58.155 0.2 . 1 . . . . 53 Q CA . 16192 1 524 . 2 2 53 53 GLN CB C 13 28.985 0.2 . 1 . . . . 53 Q CB . 16192 1 525 . 2 2 53 53 GLN N N 15 123.457 0.2 . 1 . . . . 53 Q N . 16192 1 526 . 2 2 53 53 GLN NE2 N 15 110.528 0.2 . 1 . . . . 53 Q NE2 . 16192 1 527 . 2 2 54 54 SER H H 1 8.483 0.05 . 1 . . . . 54 S HN . 16192 1 528 . 2 2 54 54 SER HA H 1 4.460 0.05 . 1 . . . . 54 S HA . 16192 1 529 . 2 2 54 54 SER HB2 H 1 4.163 0.05 . 2 . . . . 54 S QB . 16192 1 530 . 2 2 54 54 SER HB3 H 1 4.163 0.05 . 2 . . . . 54 S QB . 16192 1 531 . 2 2 54 54 SER CB C 13 65.693 0.2 . 1 . . . . 54 S CB . 16192 1 532 . 2 2 54 54 SER N N 15 118.842 0.2 . 1 . . . . 54 S N . 16192 1 533 . 2 2 55 55 GLY H H 1 8.975 0.05 . 1 . . . . 55 G HN . 16192 1 534 . 2 2 55 55 GLY HA2 H 1 4.011 0.05 . 2 . . . . 55 G QA . 16192 1 535 . 2 2 55 55 GLY HA3 H 1 4.011 0.05 . 2 . . . . 55 G QA . 16192 1 536 . 2 2 55 55 GLY CA C 13 45.319 0.2 . 1 . . . . 55 G CA . 16192 1 537 . 2 2 55 55 GLY N N 15 110.053 0.2 . 1 . . . . 55 G N . 16192 1 538 . 2 2 56 56 GLU H H 1 8.024 0.05 . 1 . . . . 56 E HN . 16192 1 539 . 2 2 56 56 GLU HA H 1 5.546 0.05 . 1 . . . . 56 E HA . 16192 1 540 . 2 2 56 56 GLU HB2 H 1 1.719 0.05 . 2 . . . . 56 E QB . 16192 1 541 . 2 2 56 56 GLU HB3 H 1 1.719 0.05 . 2 . . . . 56 E QB . 16192 1 542 . 2 2 56 56 GLU HG2 H 1 2.097 0.05 . 2 . . . . 56 E HG2 . 16192 1 543 . 2 2 56 56 GLU HG3 H 1 1.977 0.05 . 2 . . . . 56 E HG3 . 16192 1 544 . 2 2 56 56 GLU CA C 13 53.992 0.2 . 1 . . . . 56 E CA . 16192 1 545 . 2 2 56 56 GLU CB C 13 34.475 0.2 . 1 . . . . 56 E CB . 16192 1 546 . 2 2 56 56 GLU CG C 13 37.483 0.2 . 1 . . . . 56 E CG . 16192 1 547 . 2 2 56 56 GLU N N 15 118.870 0.2 . 1 . . . . 56 E N . 16192 1 548 . 2 2 57 57 ALA H H 1 8.249 0.05 . 1 . . . . 57 A HN . 16192 1 549 . 2 2 57 57 ALA HA H 1 4.961 0.05 . 1 . . . . 57 A HA . 16192 1 550 . 2 2 57 57 ALA HB1 H 1 0.816 0.05 . . . . . . 57 A QB . 16192 1 551 . 2 2 57 57 ALA HB2 H 1 0.816 0.05 . . . . . . 57 A QB . 16192 1 552 . 2 2 57 57 ALA HB3 H 1 0.816 0.05 . . . . . . 57 A QB . 16192 1 553 . 2 2 57 57 ALA CA C 13 51.014 0.2 . 1 . . . . 57 A CA . 16192 1 554 . 2 2 57 57 ALA CB C 13 23.028 0.2 . 1 . . . . 57 A CB . 16192 1 555 . 2 2 57 57 ALA N N 15 119.793 0.2 . 1 . . . . 57 A N . 16192 1 556 . 2 2 58 58 PHE H H 1 8.834 0.05 . 1 . . . . 58 F HN . 16192 1 557 . 2 2 58 58 PHE HA H 1 5.412 0.05 . 1 . . . . 58 F HA . 16192 1 558 . 2 2 58 58 PHE HB2 H 1 2.967 0.05 . 2 . . . . 58 F HB2 . 16192 1 559 . 2 2 58 58 PHE HB3 H 1 2.665 0.05 . 2 . . . . 58 F HB3 . 16192 1 560 . 2 2 58 58 PHE HD1 H 1 7.037 0.05 . 3 . . . . 58 F QD . 16192 1 561 . 2 2 58 58 PHE HD2 H 1 7.037 0.05 . 3 . . . . 58 F QD . 16192 1 562 . 2 2 58 58 PHE HE1 H 1 7.285 0.05 . 3 . . . . 58 F QE . 16192 1 563 . 2 2 58 58 PHE HE2 H 1 7.285 0.05 . 3 . . . . 58 F QE . 16192 1 564 . 2 2 58 58 PHE HZ H 1 7.159 0.05 . 1 . . . . 58 F HZ . 16192 1 565 . 2 2 58 58 PHE CA C 13 57.226 0.2 . 1 . . . . 58 F CA . 16192 1 566 . 2 2 58 58 PHE CB C 13 43.275 0.2 . 1 . . . . 58 F CB . 16192 1 567 . 2 2 58 58 PHE N N 15 117.388 0.2 . 1 . . . . 58 F N . 16192 1 568 . 2 2 59 59 VAL H H 1 9.290 0.05 . 1 . . . . 59 V HN . 16192 1 569 . 2 2 59 59 VAL HA H 1 5.075 0.05 . 1 . . . . 59 V HA . 16192 1 570 . 2 2 59 59 VAL HB H 1 1.725 0.05 . 1 . . . . 59 V HB . 16192 1 571 . 2 2 59 59 VAL HG11 H 1 0.736 0.05 . . . . . . 59 V QG1 . 16192 1 572 . 2 2 59 59 VAL HG12 H 1 0.736 0.05 . . . . . . 59 V QG1 . 16192 1 573 . 2 2 59 59 VAL HG13 H 1 0.736 0.05 . . . . . . 59 V QG1 . 16192 1 574 . 2 2 59 59 VAL HG21 H 1 0.654 0.05 . . . . . . 59 V QG2 . 16192 1 575 . 2 2 59 59 VAL HG22 H 1 0.654 0.05 . . . . . . 59 V QG2 . 16192 1 576 . 2 2 59 59 VAL HG23 H 1 0.654 0.05 . . . . . . 59 V QG2 . 16192 1 577 . 2 2 59 59 VAL CA C 13 60.725 0.2 . 1 . . . . 59 V CA . 16192 1 578 . 2 2 59 59 VAL CB C 13 34.722 0.2 . 1 . . . . 59 V CB . 16192 1 579 . 2 2 59 59 VAL CG1 C 13 22.942 0.2 . 2 . . . . 59 V CG1 . 16192 1 580 . 2 2 59 59 VAL CG2 C 13 21.300 0.2 . 2 . . . . 59 V CG2 . 16192 1 581 . 2 2 59 59 VAL N N 15 121.266 0.2 . 1 . . . . 59 V N . 16192 1 582 . 2 2 60 60 GLU H H 1 9.190 0.05 . 1 . . . . 60 E HN . 16192 1 583 . 2 2 60 60 GLU HA H 1 4.820 0.05 . 1 . . . . 60 E HA . 16192 1 584 . 2 2 60 60 GLU HB2 H 1 2.333 0.05 . 2 . . . . 60 E HB2 . 16192 1 585 . 2 2 60 60 GLU HB3 H 1 2.260 0.05 . 2 . . . . 60 E HB3 . 16192 1 586 . 2 2 60 60 GLU HG2 H 1 2.450 0.05 . 2 . . . . 60 E HG2 . 16192 1 587 . 2 2 60 60 GLU HG3 H 1 2.180 0.05 . 2 . . . . 60 E HG3 . 16192 1 588 . 2 2 60 60 GLU CA C 13 55.963 0.2 . 1 . . . . 60 E CA . 16192 1 589 . 2 2 60 60 GLU CB C 13 32.176 0.2 . 1 . . . . 60 E CB . 16192 1 590 . 2 2 60 60 GLU CG C 13 38.535 0.2 . 1 . . . . 60 E CG . 16192 1 591 . 2 2 60 60 GLU N N 15 127.049 0.2 . 1 . . . . 60 E N . 16192 1 592 . 2 2 61 61 LEU H H 1 9.157 0.05 . 1 . . . . 61 L HN . 16192 1 593 . 2 2 61 61 LEU HA H 1 5.257 0.05 . 1 . . . . 61 L HA . 16192 1 594 . 2 2 61 61 LEU HB2 H 1 1.722 0.05 . 2 . . . . 61 L HB2 . 16192 1 595 . 2 2 61 61 LEU HB3 H 1 1.614 0.05 . 2 . . . . 61 L HB3 . 16192 1 596 . 2 2 61 61 LEU HD11 H 1 0.725 0.05 . . . . . . 61 L QD1 . 16192 1 597 . 2 2 61 61 LEU HD12 H 1 0.725 0.05 . . . . . . 61 L QD1 . 16192 1 598 . 2 2 61 61 LEU HD13 H 1 0.725 0.05 . . . . . . 61 L QD1 . 16192 1 599 . 2 2 61 61 LEU HD21 H 1 0.728 0.05 . . . . . . 61 L QD2 . 16192 1 600 . 2 2 61 61 LEU HD22 H 1 0.728 0.05 . . . . . . 61 L QD2 . 16192 1 601 . 2 2 61 61 LEU HD23 H 1 0.728 0.05 . . . . . . 61 L QD2 . 16192 1 602 . 2 2 61 61 LEU HG H 1 1.713 0.05 . 1 . . . . 61 L HG . 16192 1 603 . 2 2 61 61 LEU CA C 13 53.063 0.2 . 1 . . . . 61 L CA . 16192 1 604 . 2 2 61 61 LEU CB C 13 44.462 0.2 . 1 . . . . 61 L CB . 16192 1 605 . 2 2 61 61 LEU CD1 C 13 27.877 0.2 . 2 . . . . 61 L CD1 . 16192 1 606 . 2 2 61 61 LEU CD2 C 13 24.739 0.2 . 2 . . . . 61 L CD2 . 16192 1 607 . 2 2 61 61 LEU CG C 13 26.943 0.2 . 1 . . . . 61 L CG . 16192 1 608 . 2 2 61 61 LEU N N 15 124.058 0.2 . 1 . . . . 61 L N . 16192 1 609 . 2 2 62 62 GLY H H 1 8.123 0.05 . 1 . . . . 62 G HN . 16192 1 610 . 2 2 62 62 GLY HA2 H 1 4.086 0.05 . . . . . . 62 G HA2 . 16192 1 611 . 2 2 62 62 GLY HA3 H 1 3.648 0.05 . 2 . . . . 62 G HA3 . 16192 1 612 . 2 2 62 62 GLY CA C 13 47.452 0.2 . 1 . . . . 62 G CA . 16192 1 613 . 2 2 62 62 GLY N N 15 105.368 0.2 . 1 . . . . 62 G N . 16192 1 614 . 2 2 63 63 SER H H 1 8.070 0.05 . 1 . . . . 63 S HN . 16192 1 615 . 2 2 63 63 SER HA H 1 3.812 0.05 . 1 . . . . 63 S HA . 16192 1 616 . 2 2 63 63 SER HB2 H 1 3.826 0.05 . 2 . . . . 63 S HB2 . 16192 1 617 . 2 2 63 63 SER HB3 H 1 3.825 0.05 . 2 . . . . 63 S HB3 . 16192 1 618 . 2 2 63 63 SER CA C 13 57.381 0.2 . 1 . . . . 63 S CA . 16192 1 619 . 2 2 63 63 SER CB C 13 67.114 0.2 . 1 . . . . 63 S CB . 16192 1 620 . 2 2 63 63 SER N N 15 113.204 0.2 . 1 . . . . 63 S N . 16192 1 621 . 2 2 64 64 GLU H H 1 8.305 0.05 . 1 . . . . 64 E HN . 16192 1 622 . 2 2 64 64 GLU HA H 1 3.632 0.05 . 1 . . . . 64 E HA . 16192 1 623 . 2 2 64 64 GLU HB2 H 1 2.008 0.05 . 2 . . . . 64 E HB2 . 16192 1 624 . 2 2 64 64 GLU HB3 H 1 1.867 0.05 . 2 . . . . 64 E HB3 . 16192 1 625 . 2 2 64 64 GLU HG2 H 1 2.281 0.05 . 2 . . . . 64 E QG . 16192 1 626 . 2 2 64 64 GLU HG3 H 1 2.281 0.05 . 2 . . . . 64 E QG . 16192 1 627 . 2 2 64 64 GLU CA C 13 59.057 0.2 . 1 . . . . 64 E CA . 16192 1 628 . 2 2 64 64 GLU CB C 13 29.299 0.2 . 1 . . . . 64 E CB . 16192 1 629 . 2 2 64 64 GLU CG C 13 36.130 0.2 . 1 . . . . 64 E CG . 16192 1 630 . 2 2 64 64 GLU N N 15 121.368 0.2 . 1 . . . . 64 E N . 16192 1 631 . 2 2 65 65 ASP H H 1 7.904 0.05 . 1 . . . . 65 D HN . 16192 1 632 . 2 2 65 65 ASP HA H 1 4.288 0.05 . 1 . . . . 65 D HA . 16192 1 633 . 2 2 65 65 ASP HB2 H 1 2.545 0.05 . 2 . . . . 65 D HB2 . 16192 1 634 . 2 2 65 65 ASP HB3 H 1 2.418 0.05 . 2 . . . . 65 D HB3 . 16192 1 635 . 2 2 65 65 ASP CA C 13 57.439 0.2 . 1 . . . . 65 D CA . 16192 1 636 . 2 2 65 65 ASP CB C 13 40.104 0.2 . 1 . . . . 65 D CB . 16192 1 637 . 2 2 65 65 ASP N N 15 119.290 0.2 . 1 . . . . 65 D N . 16192 1 638 . 2 2 66 66 ASP H H 1 7.472 0.05 . 1 . . . . 66 D HN . 16192 1 639 . 2 2 66 66 ASP HA H 1 4.481 0.05 . 1 . . . . 66 D HA . 16192 1 640 . 2 2 66 66 ASP HB2 H 1 3.023 0.05 . 2 . . . . 66 D HB2 . 16192 1 641 . 2 2 66 66 ASP HB3 H 1 2.555 0.05 . 2 . . . . 66 D HB3 . 16192 1 642 . 2 2 66 66 ASP CA C 13 57.853 0.2 . 1 . . . . 66 D CA . 16192 1 643 . 2 2 66 66 ASP CB C 13 44.162 0.2 . 1 . . . . 66 D CB . 16192 1 644 . 2 2 66 66 ASP N N 15 118.161 0.2 . 1 . . . . 66 D N . 16192 1 645 . 2 2 67 67 VAL H H 1 7.343 0.05 . 1 . . . . 67 V HN . 16192 1 646 . 2 2 67 67 VAL HA H 1 3.292 0.05 . 1 . . . . 67 V HA . 16192 1 647 . 2 2 67 67 VAL HB H 1 2.485 0.05 . 1 . . . . 67 V HB . 16192 1 648 . 2 2 67 67 VAL HG11 H 1 1.137 0.05 . . . . . . 67 V QG1 . 16192 1 649 . 2 2 67 67 VAL HG12 H 1 1.137 0.05 . . . . . . 67 V QG1 . 16192 1 650 . 2 2 67 67 VAL HG13 H 1 1.137 0.05 . . . . . . 67 V QG1 . 16192 1 651 . 2 2 67 67 VAL HG21 H 1 0.914 0.05 . . . . . . 67 V QG2 . 16192 1 652 . 2 2 67 67 VAL HG22 H 1 0.914 0.05 . . . . . . 67 V QG2 . 16192 1 653 . 2 2 67 67 VAL HG23 H 1 0.914 0.05 . . . . . . 67 V QG2 . 16192 1 654 . 2 2 67 67 VAL CA C 13 66.887 0.2 . 1 . . . . 67 V CA . 16192 1 655 . 2 2 67 67 VAL CB C 13 31.306 0.2 . 1 . . . . 67 V CB . 16192 1 656 . 2 2 67 67 VAL CG1 C 13 23.541 0.2 . 2 . . . . 67 V CG1 . 16192 1 657 . 2 2 67 67 VAL CG2 C 13 20.991 0.2 . 2 . . . . 67 V CG2 . 16192 1 658 . 2 2 67 67 VAL N N 15 120.404 0.2 . 1 . . . . 67 V N . 16192 1 659 . 2 2 68 68 LYS H H 1 7.709 0.05 . 1 . . . . 68 K HN . 16192 1 660 . 2 2 68 68 LYS HA H 1 3.830 0.05 . 1 . . . . 68 K HA . 16192 1 661 . 2 2 68 68 LYS HB2 H 1 1.932 0.05 . 2 . . . . 68 K HB2 . 16192 1 662 . 2 2 68 68 LYS HB3 H 1 1.858 0.05 . 2 . . . . 68 K HB3 . 16192 1 663 . 2 2 68 68 LYS HD2 H 1 1.681 0.05 . 2 . . . . 68 K QD . 16192 1 664 . 2 2 68 68 LYS HD3 H 1 1.681 0.05 . 2 . . . . 68 K QD . 16192 1 665 . 2 2 68 68 LYS HE2 H 1 2.923 0.05 . 2 . . . . 68 K QE . 16192 1 666 . 2 2 68 68 LYS HE3 H 1 2.923 0.05 . 2 . . . . 68 K QE . 16192 1 667 . 2 2 68 68 LYS HG2 H 1 1.632 0.05 . 2 . . . . 68 K HG2 . 16192 1 668 . 2 2 68 68 LYS HG3 H 1 1.381 0.05 . 2 . . . . 68 K HG3 . 16192 1 669 . 2 2 68 68 LYS CA C 13 60.209 0.2 . 1 . . . . 68 K CA . 16192 1 670 . 2 2 68 68 LYS CB C 13 32.226 0.2 . 1 . . . . 68 K CB . 16192 1 671 . 2 2 68 68 LYS CD C 13 29.449 0.2 . 1 . . . . 68 K CD . 16192 1 672 . 2 2 68 68 LYS CE C 13 42.116 0.2 . 1 . . . . 68 K CE . 16192 1 673 . 2 2 68 68 LYS CG C 13 25.663 0.2 . 1 . . . . 68 K CG . 16192 1 674 . 2 2 68 68 LYS N N 15 117.513 0.2 . 1 . . . . 68 K N . 16192 1 675 . 2 2 69 69 MET H H 1 7.739 0.05 . 1 . . . . 69 M HN . 16192 1 676 . 2 2 69 69 MET HA H 1 4.097 0.05 . 1 . . . . 69 M HA . 16192 1 677 . 2 2 69 69 MET HB2 H 1 2.188 0.05 . 2 . . . . 69 M HB2 . 16192 1 678 . 2 2 69 69 MET HB3 H 1 1.925 0.05 . 2 . . . . 69 M HB3 . 16192 1 679 . 2 2 69 69 MET HE1 H 1 1.997 0.05 . . . . . . 69 M QE . 16192 1 680 . 2 2 69 69 MET HE2 H 1 1.997 0.05 . . . . . . 69 M QE . 16192 1 681 . 2 2 69 69 MET HE3 H 1 1.997 0.05 . . . . . . 69 M QE . 16192 1 682 . 2 2 69 69 MET HG2 H 1 2.549 0.05 . 2 . . . . 69 M HG2 . 16192 1 683 . 2 2 69 69 MET HG3 H 1 2.549 0.05 . 2 . . . . 69 M HG3 . 16192 1 684 . 2 2 69 69 MET CA C 13 57.721 0.2 . 1 . . . . 69 M CA . 16192 1 685 . 2 2 69 69 MET CB C 13 32.351 0.2 . 1 . . . . 69 M CB . 16192 1 686 . 2 2 69 69 MET CE C 13 17.281 0.2 . 1 . . . . 69 M CE . 16192 1 687 . 2 2 69 69 MET CG C 13 32.526 0.2 . 1 . . . . 69 M CG . 16192 1 688 . 2 2 69 69 MET N N 15 117.392 0.2 . 1 . . . . 69 M N . 16192 1 689 . 2 2 70 70 ALA H H 1 8.402 0.05 . 1 . . . . 70 A HN . 16192 1 690 . 2 2 70 70 ALA HA H 1 3.760 0.05 . 1 . . . . 70 A HA . 16192 1 691 . 2 2 70 70 ALA HB1 H 1 1.412 0.05 . . . . . . 70 A QB . 16192 1 692 . 2 2 70 70 ALA HB2 H 1 1.412 0.05 . . . . . . 70 A QB . 16192 1 693 . 2 2 70 70 ALA HB3 H 1 1.412 0.05 . . . . . . 70 A QB . 16192 1 694 . 2 2 70 70 ALA CA C 13 55.133 0.2 . 1 . . . . 70 A CA . 16192 1 695 . 2 2 70 70 ALA CB C 13 18.419 0.2 . 1 . . . . 70 A CB . 16192 1 696 . 2 2 70 70 ALA N N 15 123.650 0.2 . 1 . . . . 70 A N . 16192 1 697 . 2 2 71 71 LEU H H 1 8.296 0.05 . 1 . . . . 71 L HN . 16192 1 698 . 2 2 71 71 LEU HA H 1 3.760 0.05 . 1 . . . . 71 L HA . 16192 1 699 . 2 2 71 71 LEU HB2 H 1 1.813 0.05 . 2 . . . . 71 L HB2 . 16192 1 700 . 2 2 71 71 LEU HB3 H 1 1.469 0.05 . 2 . . . . 71 L HB3 . 16192 1 701 . 2 2 71 71 LEU HD11 H 1 0.862 0.05 . . . . . . 71 L QD1 . 16192 1 702 . 2 2 71 71 LEU HD12 H 1 0.862 0.05 . . . . . . 71 L QD1 . 16192 1 703 . 2 2 71 71 LEU HD13 H 1 0.862 0.05 . . . . . . 71 L QD1 . 16192 1 704 . 2 2 71 71 LEU HD21 H 1 0.746 0.05 . . . . . . 71 L QD2 . 16192 1 705 . 2 2 71 71 LEU HD22 H 1 0.746 0.05 . . . . . . 71 L QD2 . 16192 1 706 . 2 2 71 71 LEU HD23 H 1 0.746 0.05 . . . . . . 71 L QD2 . 16192 1 707 . 2 2 71 71 LEU HG H 1 1.822 0.05 . 1 . . . . 71 L HG . 16192 1 708 . 2 2 71 71 LEU CA C 13 57.694 0.2 . 1 . . . . 71 L CA . 16192 1 709 . 2 2 71 71 LEU CB C 13 41.114 0.2 . 1 . . . . 71 L CB . 16192 1 710 . 2 2 71 71 LEU CD1 C 13 26.077 0.2 . 2 . . . . 71 L CD1 . 16192 1 711 . 2 2 71 71 LEU CD2 C 13 22.563 0.2 . 2 . . . . 71 L CD2 . 16192 1 712 . 2 2 71 71 LEU CG C 13 27.139 0.2 . 1 . . . . 71 L CG . 16192 1 713 . 2 2 71 71 LEU N N 15 116.608 0.2 . 1 . . . . 71 L N . 16192 1 714 . 2 2 72 72 LYS H H 1 7.271 0.05 . 1 . . . . 72 K HN . 16192 1 715 . 2 2 72 72 LYS HA H 1 4.107 0.05 . 1 . . . . 72 K HA . 16192 1 716 . 2 2 72 72 LYS HB2 H 1 1.912 0.05 . 2 . . . . 72 K QB . 16192 1 717 . 2 2 72 72 LYS HB3 H 1 1.912 0.05 . 2 . . . . 72 K QB . 16192 1 718 . 2 2 72 72 LYS HD2 H 1 1.678 0.05 . 2 . . . . 72 K QD . 16192 1 719 . 2 2 72 72 LYS HD3 H 1 1.678 0.05 . 2 . . . . 72 K QD . 16192 1 720 . 2 2 72 72 LYS HE2 H 1 2.940 0.05 . 2 . . . . 72 K QE . 16192 1 721 . 2 2 72 72 LYS HE3 H 1 2.940 0.05 . 2 . . . . 72 K QE . 16192 1 722 . 2 2 72 72 LYS HG2 H 1 1.684 0.05 . 2 . . . . 72 K HG2 . 16192 1 723 . 2 2 72 72 LYS HG3 H 1 1.483 0.05 . 2 . . . . 72 K HG3 . 16192 1 724 . 2 2 72 72 LYS CA C 13 57.972 0.2 . 1 . . . . 72 K CA . 16192 1 725 . 2 2 72 72 LYS CB C 13 32.182 0.2 . 1 . . . . 72 K CB . 16192 1 726 . 2 2 72 72 LYS CD C 13 29.319 0.2 . 1 . . . . 72 K CD . 16192 1 727 . 2 2 72 72 LYS CE C 13 42.091 0.2 . 1 . . . . 72 K CE . 16192 1 728 . 2 2 72 72 LYS CG C 13 25.311 0.2 . 1 . . . . 72 K CG . 16192 1 729 . 2 2 72 72 LYS N N 15 118.075 0.2 . 1 . . . . 72 K N . 16192 1 730 . 2 2 73 73 LYS H H 1 7.604 0.05 . 1 . . . . 73 K HN . 16192 1 731 . 2 2 73 73 LYS HA H 1 4.107 0.05 . 1 . . . . 73 K HA . 16192 1 732 . 2 2 73 73 LYS HB2 H 1 1.773 0.05 . 2 . . . . 73 K QB . 16192 1 733 . 2 2 73 73 LYS HB3 H 1 1.773 0.05 . 2 . . . . 73 K QB . 16192 1 734 . 2 2 73 73 LYS HD2 H 1 1.264 0.05 . 2 . . . . 73 K HD2 . 16192 1 735 . 2 2 73 73 LYS HD3 H 1 1.178 0.05 . 2 . . . . 73 K HD3 . 16192 1 736 . 2 2 73 73 LYS HE2 H 1 2.747 0.05 . 2 . . . . 73 K QE . 16192 1 737 . 2 2 73 73 LYS HE3 H 1 2.747 0.05 . 2 . . . . 73 K QE . 16192 1 738 . 2 2 73 73 LYS HG2 H 1 1.262 0.05 . 2 . . . . 73 K HG2 . 16192 1 739 . 2 2 73 73 LYS HG3 H 1 1.185 0.05 . 2 . . . . 73 K HG3 . 16192 1 740 . 2 2 73 73 LYS CA C 13 54.789 0.2 . 1 . . . . 73 K CA . 16192 1 741 . 2 2 73 73 LYS CB C 13 31.082 0.2 . 1 . . . . 73 K CB . 16192 1 742 . 2 2 73 73 LYS CD C 13 27.905 0.2 . 1 . . . . 73 K CD . 16192 1 743 . 2 2 73 73 LYS CE C 13 41.966 0.2 . 1 . . . . 73 K CE . 16192 1 744 . 2 2 73 73 LYS CG C 13 24.510 0.2 . 1 . . . . 73 K CG . 16192 1 745 . 2 2 73 73 LYS N N 15 117.677 0.2 . 1 . . . . 73 K N . 16192 1 746 . 2 2 74 74 ASP H H 1 7.111 0.05 . 1 . . . . 74 D HN . 16192 1 747 . 2 2 74 74 ASP HA H 1 4.340 0.05 . 1 . . . . 74 D HA . 16192 1 748 . 2 2 74 74 ASP HB2 H 1 2.829 0.05 . 2 . . . . 74 D HB2 . 16192 1 749 . 2 2 74 74 ASP HB3 H 1 2.566 0.05 . 2 . . . . 74 D HB3 . 16192 1 750 . 2 2 74 74 ASP CA C 13 57.629 0.2 . 1 . . . . 74 D CA . 16192 1 751 . 2 2 74 74 ASP CB C 13 42.406 0.2 . 1 . . . . 74 D CB . 16192 1 752 . 2 2 74 74 ASP N N 15 117.688 0.2 . 1 . . . . 74 D N . 16192 1 753 . 2 2 75 75 ARG H H 1 9.628 0.05 . 1 . . . . 75 R HN . 16192 1 754 . 2 2 75 75 ARG HA H 1 3.401 0.05 . 1 . . . . 75 R HA . 16192 1 755 . 2 2 75 75 ARG HB2 H 1 2.042 0.05 . 2 . . . . 75 R HB2 . 16192 1 756 . 2 2 75 75 ARG HB3 H 1 1.821 0.05 . 2 . . . . 75 R HB3 . 16192 1 757 . 2 2 75 75 ARG HD2 H 1 2.964 0.05 . 2 . . . . 75 R HD2 . 16192 1 758 . 2 2 75 75 ARG HD3 H 1 2.833 0.05 . 2 . . . . 75 R HD3 . 16192 1 759 . 2 2 75 75 ARG HE H 1 7.223 0.05 . 1 . . . . 75 R HE . 16192 1 760 . 2 2 75 75 ARG HG2 H 1 1.591 0.05 . 2 . . . . 75 R HG2 . 16192 1 761 . 2 2 75 75 ARG HG3 H 1 1.166 0.05 . 2 . . . . 75 R HG3 . 16192 1 762 . 2 2 75 75 ARG CA C 13 59.488 0.2 . 1 . . . . 75 R CA . 16192 1 763 . 2 2 75 75 ARG CB C 13 26.893 0.2 . 1 . . . . 75 R CB . 16192 1 764 . 2 2 75 75 ARG CD C 13 43.110 0.2 . 1 . . . . 75 R CD . 16192 1 765 . 2 2 75 75 ARG CG C 13 29.375 0.2 . 1 . . . . 75 R CG . 16192 1 766 . 2 2 75 75 ARG N N 15 120.045 0.2 . 1 . . . . 75 R N . 16192 1 767 . 2 2 75 75 ARG NE N 15 84.904 0.2 . 1 . . . . 75 R NE . 16192 1 768 . 2 2 76 76 GLU H H 1 8.461 0.05 . 1 . . . . 76 E HN . 16192 1 769 . 2 2 76 76 GLU HA H 1 4.524 0.05 . 1 . . . . 76 E HA . 16192 1 770 . 2 2 76 76 GLU HB2 H 1 2.360 0.05 . 2 . . . . 76 E QB . 16192 1 771 . 2 2 76 76 GLU HB3 H 1 2.360 0.05 . 2 . . . . 76 E QB . 16192 1 772 . 2 2 76 76 GLU HG2 H 1 2.331 0.05 . 2 . . . . 76 E HG2 . 16192 1 773 . 2 2 76 76 GLU HG3 H 1 2.160 0.05 . 2 . . . . 76 E HG3 . 16192 1 774 . 2 2 76 76 GLU CA C 13 57.095 0.2 . 1 . . . . 76 E CA . 16192 1 775 . 2 2 76 76 GLU CB C 13 29.630 0.2 . 1 . . . . 76 E CB . 16192 1 776 . 2 2 76 76 GLU CG C 13 37.429 0.2 . 1 . . . . 76 E CG . 16192 1 777 . 2 2 76 76 GLU N N 15 119.623 0.2 . 1 . . . . 76 E N . 16192 1 778 . 2 2 77 77 SER H H 1 8.659 0.05 . 1 . . . . 77 S HN . 16192 1 779 . 2 2 77 77 SER HA H 1 5.130 0.05 . 1 . . . . 77 S HA . 16192 1 780 . 2 2 77 77 SER HB2 H 1 3.745 0.05 . 2 . . . . 77 S QB . 16192 1 781 . 2 2 77 77 SER HB3 H 1 3.745 0.05 . 2 . . . . 77 S QB . 16192 1 782 . 2 2 77 77 SER CA C 13 59.853 0.2 . 1 . . . . 77 S CA . 16192 1 783 . 2 2 77 77 SER CB C 13 65.672 0.2 . 1 . . . . 77 S CB . 16192 1 784 . 2 2 77 77 SER N N 15 114.699 0.2 . 1 . . . . 77 S N . 16192 1 785 . 2 2 78 78 MET H H 1 8.653 0.05 . 1 . . . . 78 M HN . 16192 1 786 . 2 2 78 78 MET HA H 1 4.343 0.05 . 1 . . . . 78 M HA . 16192 1 787 . 2 2 78 78 MET HB2 H 1 1.674 0.05 . 2 . . . . 78 M HB2 . 16192 1 788 . 2 2 78 78 MET HB3 H 1 1.518 0.05 . 2 . . . . 78 M HB3 . 16192 1 789 . 2 2 78 78 MET HE1 H 1 1.610 0.05 . . . . . . 78 M QE . 16192 1 790 . 2 2 78 78 MET HE2 H 1 1.610 0.05 . . . . . . 78 M QE . 16192 1 791 . 2 2 78 78 MET HE3 H 1 1.610 0.05 . . . . . . 78 M QE . 16192 1 792 . 2 2 78 78 MET HG2 H 1 2.361 0.05 . 2 . . . . 78 M HG2 . 16192 1 793 . 2 2 78 78 MET HG3 H 1 2.097 0.05 . 2 . . . . 78 M HG3 . 16192 1 794 . 2 2 78 78 MET CA C 13 55.416 0.2 . 1 . . . . 78 M CA . 16192 1 795 . 2 2 78 78 MET CB C 13 35.472 0.2 . 1 . . . . 78 M CB . 16192 1 796 . 2 2 78 78 MET CE C 13 16.045 0.2 . 1 . . . . 78 M CE . 16192 1 797 . 2 2 78 78 MET CG C 13 31.216 0.2 . 1 . . . . 78 M CG . 16192 1 798 . 2 2 78 78 MET N N 15 123.415 0.2 . 1 . . . . 78 M N . 16192 1 799 . 2 2 79 79 GLY H H 1 8.738 0.05 . 1 . . . . 79 G HN . 16192 1 800 . 2 2 79 79 GLY HA2 H 1 3.906 0.05 . . . . . . 79 G HA2 . 16192 1 801 . 2 2 79 79 GLY HA3 H 1 3.601 0.05 . 2 . . . . 79 G HA3 . 16192 1 802 . 2 2 79 79 GLY CA C 13 47.184 0.2 . 1 . . . . 79 G CA . 16192 1 803 . 2 2 79 79 GLY N N 15 114.637 0.2 . 1 . . . . 79 G N . 16192 1 804 . 2 2 80 80 HIS H H 1 7.450 0.05 . 1 . . . . 80 H HN . 16192 1 805 . 2 2 80 80 HIS HA H 1 4.485 0.05 . 1 . . . . 80 H HA . 16192 1 806 . 2 2 80 80 HIS HB2 H 1 3.119 0.05 . 2 . . . . 80 H HB2 . 16192 1 807 . 2 2 80 80 HIS HB3 H 1 2.370 0.05 . 2 . . . . 80 H HB3 . 16192 1 808 . 2 2 80 80 HIS HD2 H 1 6.656 0.05 . 1 . . . . 80 H HD2 . 16192 1 809 . 2 2 80 80 HIS HE1 H 1 7.129 0.05 . 1 . . . . 80 H HE1 . 16192 1 810 . 2 2 80 80 HIS CA C 13 56.581 0.2 . 1 . . . . 80 H CA . 16192 1 811 . 2 2 80 80 HIS CB C 13 28.512 0.2 . 1 . . . . 80 H CB . 16192 1 812 . 2 2 80 80 HIS N N 15 116.653 0.2 . 1 . . . . 80 H N . 16192 1 813 . 2 2 81 81 ARG H H 1 7.454 0.05 . 1 . . . . 81 R HN . 16192 1 814 . 2 2 81 81 ARG HA H 1 4.456 0.05 . 1 . . . . 81 R HA . 16192 1 815 . 2 2 81 81 ARG HB2 H 1 1.705 0.05 . 2 . . . . 81 R HB2 . 16192 1 816 . 2 2 81 81 ARG HB3 H 1 1.317 0.05 . 2 . . . . 81 R HB3 . 16192 1 817 . 2 2 81 81 ARG HD2 H 1 3.893 0.05 . 2 . . . . 81 R QD . 16192 1 818 . 2 2 81 81 ARG HD3 H 1 3.893 0.05 . 2 . . . . 81 R QD . 16192 1 819 . 2 2 81 81 ARG HE H 1 6.455 0.05 . 1 . . . . 81 R HE . 16192 1 820 . 2 2 81 81 ARG HG2 H 1 1.359 0.05 . 2 . . . . 81 R QG . 16192 1 821 . 2 2 81 81 ARG HG3 H 1 1.359 0.05 . 2 . . . . 81 R QG . 16192 1 822 . 2 2 81 81 ARG CA C 13 52.520 0.2 . 1 . . . . 81 R CA . 16192 1 823 . 2 2 81 81 ARG CB C 13 31.740 0.2 . 1 . . . . 81 R CB . 16192 1 824 . 2 2 81 81 ARG CD C 13 43.303 0.2 . 1 . . . . 81 R CD . 16192 1 825 . 2 2 81 81 ARG CG C 13 26.811 0.2 . 1 . . . . 81 R CG . 16192 1 826 . 2 2 81 81 ARG N N 15 119.814 0.2 . 1 . . . . 81 R N . 16192 1 827 . 2 2 81 81 ARG NE N 15 81.706 0.2 . 1 . . . . 81 R NE . 16192 1 828 . 2 2 82 82 TYR H H 1 8.151 0.05 . 1 . . . . 82 Y HN . 16192 1 829 . 2 2 82 82 TYR HA H 1 5.166 0.05 . 1 . . . . 82 Y HA . 16192 1 830 . 2 2 82 82 TYR HB2 H 1 2.741 0.05 . 2 . . . . 82 Y HB2 . 16192 1 831 . 2 2 82 82 TYR HB3 H 1 2.626 0.05 . 2 . . . . 82 Y HB3 . 16192 1 832 . 2 2 82 82 TYR HD1 H 1 6.666 0.05 . 3 . . . . 82 Y QD . 16192 1 833 . 2 2 82 82 TYR HD2 H 1 6.666 0.05 . 3 . . . . 82 Y QD . 16192 1 834 . 2 2 82 82 TYR HE1 H 1 6.163 0.05 . 3 . . . . 82 Y QE . 16192 1 835 . 2 2 82 82 TYR HE2 H 1 6.163 0.05 . 3 . . . . 82 Y QE . 16192 1 836 . 2 2 82 82 TYR CA C 13 55.362 0.2 . 1 . . . . 82 Y CA . 16192 1 837 . 2 2 82 82 TYR CB C 13 39.151 0.2 . 1 . . . . 82 Y CB . 16192 1 838 . 2 2 82 82 TYR N N 15 116.742 0.2 . 1 . . . . 82 Y N . 16192 1 839 . 2 2 83 83 ILE H H 1 9.177 0.05 . 1 . . . . 83 I HN . 16192 1 840 . 2 2 83 83 ILE HA H 1 4.572 0.05 . 1 . . . . 83 I HA . 16192 1 841 . 2 2 83 83 ILE HB H 1 2.085 0.05 . 1 . . . . 83 I HB . 16192 1 842 . 2 2 83 83 ILE HD11 H 1 0.265 0.05 . . . . . . 83 I QD1 . 16192 1 843 . 2 2 83 83 ILE HD12 H 1 0.265 0.05 . . . . . . 83 I QD1 . 16192 1 844 . 2 2 83 83 ILE HD13 H 1 0.265 0.05 . . . . . . 83 I QD1 . 16192 1 845 . 2 2 83 83 ILE HG12 H 1 1.250 0.05 . 2 . . . . 83 I HG12 . 16192 1 846 . 2 2 83 83 ILE HG13 H 1 -0.004 0.05 . 2 . . . . 83 I HG13 . 16192 1 847 . 2 2 83 83 ILE HG21 H 1 0.449 0.05 . . . . . . 83 I QG2 . 16192 1 848 . 2 2 83 83 ILE HG22 H 1 0.449 0.05 . . . . . . 83 I QG2 . 16192 1 849 . 2 2 83 83 ILE HG23 H 1 0.449 0.05 . . . . . . 83 I QG2 . 16192 1 850 . 2 2 83 83 ILE CB C 13 35.971 0.2 . 1 . . . . 83 I CB . 16192 1 851 . 2 2 83 83 ILE CD1 C 13 9.499 0.2 . 1 . . . . 83 I CD1 . 16192 1 852 . 2 2 83 83 ILE CG1 C 13 27.125 0.2 . 1 . . . . 83 I CG1 . 16192 1 853 . 2 2 83 83 ILE CG2 C 13 17.744 0.2 . 1 . . . . 83 I CG2 . 16192 1 854 . 2 2 83 83 ILE N N 15 126.148 0.2 . 1 . . . . 83 I N . 16192 1 855 . 2 2 84 84 GLU H H 1 8.861 0.05 . 1 . . . . 84 E HN . 16192 1 856 . 2 2 84 84 GLU HA H 1 4.713 0.05 . 1 . . . . 84 E HA . 16192 1 857 . 2 2 84 84 GLU HB2 H 1 1.987 0.05 . 2 . . . . 84 E HB2 . 16192 1 858 . 2 2 84 84 GLU HB3 H 1 1.899 0.05 . 2 . . . . 84 E HB3 . 16192 1 859 . 2 2 84 84 GLU HG2 H 1 2.293 0.05 . 2 . . . . 84 E HG2 . 16192 1 860 . 2 2 84 84 GLU HG3 H 1 2.235 0.05 . 2 . . . . 84 E HG3 . 16192 1 861 . 2 2 84 84 GLU CA C 13 55.482 0.2 . 1 . . . . 84 E CA . 16192 1 862 . 2 2 84 84 GLU CB C 13 34.033 0.2 . 1 . . . . 84 E CB . 16192 1 863 . 2 2 84 84 GLU CG C 13 37.599 0.2 . 1 . . . . 84 E CG . 16192 1 864 . 2 2 84 84 GLU N N 15 126.737 0.2 . 1 . . . . 84 E N . 16192 1 865 . 2 2 85 85 VAL H H 1 8.838 0.05 . 1 . . . . 85 V HN . 16192 1 866 . 2 2 85 85 VAL HA H 1 4.681 0.05 . 1 . . . . 85 V HA . 16192 1 867 . 2 2 85 85 VAL HB H 1 1.651 0.05 . 1 . . . . 85 V HB . 16192 1 868 . 2 2 85 85 VAL HG11 H 1 0.695 0.05 . . . . . . 85 V QG1 . 16192 1 869 . 2 2 85 85 VAL HG12 H 1 0.695 0.05 . . . . . . 85 V QG1 . 16192 1 870 . 2 2 85 85 VAL HG13 H 1 0.695 0.05 . . . . . . 85 V QG1 . 16192 1 871 . 2 2 85 85 VAL HG21 H 1 0.883 0.05 . . . . . . 85 V QG2 . 16192 1 872 . 2 2 85 85 VAL HG22 H 1 0.883 0.05 . . . . . . 85 V QG2 . 16192 1 873 . 2 2 85 85 VAL HG23 H 1 0.883 0.05 . . . . . . 85 V QG2 . 16192 1 874 . 2 2 85 85 VAL CB C 13 34.148 0.2 . 1 . . . . 85 V CB . 16192 1 875 . 2 2 85 85 VAL CG1 C 13 20.855 0.2 . 2 . . . . 85 V CG1 . 16192 1 876 . 2 2 85 85 VAL CG2 C 13 19.555 0.2 . 2 . . . . 85 V CG2 . 16192 1 877 . 2 2 85 85 VAL N N 15 122.844 0.2 . 1 . . . . 85 V N . 16192 1 878 . 2 2 86 86 PHE H H 1 9.198 0.05 . 1 . . . . 86 F HN . 16192 1 879 . 2 2 86 86 PHE HA H 1 4.890 0.05 . 1 . . . . 86 F HA . 16192 1 880 . 2 2 86 86 PHE HB2 H 1 3.194 0.05 . 2 . . . . 86 F HB2 . 16192 1 881 . 2 2 86 86 PHE HB3 H 1 2.653 0.05 . 2 . . . . 86 F HB3 . 16192 1 882 . 2 2 86 86 PHE HD1 H 1 7.012 0.05 . 3 . . . . 86 F QD . 16192 1 883 . 2 2 86 86 PHE HD2 H 1 7.012 0.05 . 3 . . . . 86 F QD . 16192 1 884 . 2 2 86 86 PHE HE1 H 1 7.097 0.05 . 3 . . . . 86 F QE . 16192 1 885 . 2 2 86 86 PHE HE2 H 1 7.097 0.05 . 3 . . . . 86 F QE . 16192 1 886 . 2 2 86 86 PHE HZ H 1 6.870 0.05 . 1 . . . . 86 F HZ . 16192 1 887 . 2 2 86 86 PHE CA C 13 55.248 0.2 . 1 . . . . 86 F CA . 16192 1 888 . 2 2 86 86 PHE CB C 13 42.419 0.2 . 1 . . . . 86 F CB . 16192 1 889 . 2 2 86 86 PHE N N 15 122.700 0.2 . 1 . . . . 86 F N . 16192 1 890 . 2 2 87 87 LYS H H 1 9.226 0.05 . 1 . . . . 87 K HN . 16192 1 891 . 2 2 87 87 LYS HA H 1 4.208 0.05 . 1 . . . . 87 K HA . 16192 1 892 . 2 2 87 87 LYS HB2 H 1 2.033 0.05 . 2 . . . . 87 K HB2 . 16192 1 893 . 2 2 87 87 LYS HB3 H 1 1.813 0.05 . 2 . . . . 87 K HB3 . 16192 1 894 . 2 2 87 87 LYS HD2 H 1 1.821 0.05 . 2 . . . . 87 K QD . 16192 1 895 . 2 2 87 87 LYS HD3 H 1 1.821 0.05 . 2 . . . . 87 K QD . 16192 1 896 . 2 2 87 87 LYS HE2 H 1 3.133 0.05 . 2 . . . . 87 K QE . 16192 1 897 . 2 2 87 87 LYS HE3 H 1 3.133 0.05 . 2 . . . . 87 K QE . 16192 1 898 . 2 2 87 87 LYS HG2 H 1 1.689 0.05 . 2 . . . . 87 K HG2 . 16192 1 899 . 2 2 87 87 LYS HG3 H 1 1.634 0.05 . 2 . . . . 87 K HG3 . 16192 1 900 . 2 2 87 87 LYS CA C 13 58.724 0.2 . 1 . . . . 87 K CA . 16192 1 901 . 2 2 87 87 LYS CB C 13 32.741 0.2 . 1 . . . . 87 K CB . 16192 1 902 . 2 2 87 87 LYS CD C 13 29.813 0.2 . 1 . . . . 87 K CD . 16192 1 903 . 2 2 87 87 LYS CE C 13 43.163 0.2 . 1 . . . . 87 K CE . 16192 1 904 . 2 2 87 87 LYS CG C 13 26.147 0.2 . 1 . . . . 87 K CG . 16192 1 905 . 2 2 87 87 LYS N N 15 123.552 0.2 . 1 . . . . 87 K N . 16192 1 906 . 2 2 88 88 SER H H 1 8.318 0.05 . 1 . . . . 88 S HN . 16192 1 907 . 2 2 88 88 SER HA H 1 4.670 0.05 . 1 . . . . 88 S HA . 16192 1 908 . 2 2 88 88 SER HB2 H 1 3.777 0.05 . 2 . . . . 88 S HB2 . 16192 1 909 . 2 2 88 88 SER HB3 H 1 3.260 0.05 . 2 . . . . 88 S HB3 . 16192 1 910 . 2 2 88 88 SER CB C 13 64.260 0.2 . 1 . . . . 88 S CB . 16192 1 911 . 2 2 88 88 SER N N 15 122.070 0.2 . 1 . . . . 88 S N . 16192 1 912 . 2 2 89 89 HIS H H 1 9.519 0.05 . 1 . . . . 89 H HN . 16192 1 913 . 2 2 89 89 HIS HA H 1 4.670 0.05 . 1 . . . . 89 H HA . 16192 1 914 . 2 2 89 89 HIS HB2 H 1 3.396 0.05 . 2 . . . . 89 H HB2 . 16192 1 915 . 2 2 89 89 HIS HB3 H 1 3.281 0.05 . 2 . . . . 89 H HB3 . 16192 1 916 . 2 2 89 89 HIS HD2 H 1 7.049 0.05 . 1 . . . . 89 H HD2 . 16192 1 917 . 2 2 89 89 HIS HE1 H 1 7.638 0.05 . 1 . . . . 89 H HE1 . 16192 1 918 . 2 2 89 89 HIS CB C 13 32.738 0.2 . 1 . . . . 89 H CB . 16192 1 919 . 2 2 89 89 HIS N N 15 118.909 0.2 . 1 . . . . 89 H N . 16192 1 920 . 2 2 90 90 ARG H H 1 9.113 0.05 . 1 . . . . 90 R HN . 16192 1 921 . 2 2 90 90 ARG HA H 1 3.736 0.05 . 1 . . . . 90 R HA . 16192 1 922 . 2 2 90 90 ARG CA C 13 60.129 0.2 . 1 . . . . 90 R CA . 16192 1 923 . 2 2 90 90 ARG N N 15 123.735 0.2 . 1 . . . . 90 R N . 16192 1 924 . 2 2 91 91 THR H H 1 9.134 0.05 . 1 . . . . 91 T HN . 16192 1 925 . 2 2 91 91 THR HA H 1 3.987 0.05 . 1 . . . . 91 T HA . 16192 1 926 . 2 2 91 91 THR HB H 1 4.223 0.05 . 1 . . . . 91 T HB . 16192 1 927 . 2 2 91 91 THR HG21 H 1 1.222 0.05 . . . . . . 91 T QG2 . 16192 1 928 . 2 2 91 91 THR HG22 H 1 1.222 0.05 . . . . . . 91 T QG2 . 16192 1 929 . 2 2 91 91 THR HG23 H 1 1.222 0.05 . . . . . . 91 T QG2 . 16192 1 930 . 2 2 91 91 THR CA C 13 66.756 0.2 . 1 . . . . 91 T CA . 16192 1 931 . 2 2 91 91 THR CB C 13 68.327 0.2 . 1 . . . . 91 T CB . 16192 1 932 . 2 2 91 91 THR CG2 C 13 22.093 0.2 . 1 . . . . 91 T CG2 . 16192 1 933 . 2 2 91 91 THR N N 15 114.589 0.2 . 1 . . . . 91 T N . 16192 1 934 . 2 2 92 92 GLU H H 1 7.591 0.05 . 1 . . . . 92 E HN . 16192 1 935 . 2 2 92 92 GLU HA H 1 4.013 0.05 . 1 . . . . 92 E HA . 16192 1 936 . 2 2 92 92 GLU HB2 H 1 1.802 0.05 . 2 . . . . 92 E HB2 . 16192 1 937 . 2 2 92 92 GLU HB3 H 1 1.721 0.05 . 2 . . . . 92 E HB3 . 16192 1 938 . 2 2 92 92 GLU HG2 H 1 2.229 0.05 . 2 . . . . 92 E HG2 . 16192 1 939 . 2 2 92 92 GLU HG3 H 1 2.188 0.05 . 2 . . . . 92 E HG3 . 16192 1 940 . 2 2 92 92 GLU CA C 13 59.248 0.2 . 1 . . . . 92 E CA . 16192 1 941 . 2 2 92 92 GLU CB C 13 29.173 0.2 . 1 . . . . 92 E CB . 16192 1 942 . 2 2 92 92 GLU CG C 13 36.618 0.2 . 1 . . . . 92 E CG . 16192 1 943 . 2 2 92 92 GLU N N 15 123.389 0.2 . 1 . . . . 92 E N . 16192 1 944 . 2 2 93 93 MET H H 1 7.415 0.05 . 1 . . . . 93 M HN . 16192 1 945 . 2 2 93 93 MET HA H 1 2.138 0.05 . 1 . . . . 93 M HA . 16192 1 946 . 2 2 93 93 MET HB2 H 1 1.793 0.05 . 2 . . . . 93 M HB2 . 16192 1 947 . 2 2 93 93 MET HB3 H 1 1.118 0.05 . 2 . . . . 93 M HB3 . 16192 1 948 . 2 2 93 93 MET HE1 H 1 1.633 0.05 . . . . . . 93 M QE . 16192 1 949 . 2 2 93 93 MET HE2 H 1 1.633 0.05 . . . . . . 93 M QE . 16192 1 950 . 2 2 93 93 MET HE3 H 1 1.633 0.05 . . . . . . 93 M QE . 16192 1 951 . 2 2 93 93 MET HG2 H 1 1.690 0.05 . 2 . . . . 93 M HG2 . 16192 1 952 . 2 2 93 93 MET HG3 H 1 1.528 0.05 . 2 . . . . 93 M HG3 . 16192 1 953 . 2 2 93 93 MET CA C 13 58.357 0.2 . 1 . . . . 93 M CA . 16192 1 954 . 2 2 93 93 MET CB C 13 34.214 0.2 . 1 . . . . 93 M CB . 16192 1 955 . 2 2 93 93 MET CE C 13 17.358 0.2 . 1 . . . . 93 M CE . 16192 1 956 . 2 2 93 93 MET CG C 13 31.636 0.2 . 1 . . . . 93 M CG . 16192 1 957 . 2 2 93 93 MET N N 15 118.122 0.2 . 1 . . . . 93 M N . 16192 1 958 . 2 2 94 94 ASP H H 1 8.509 0.05 . 1 . . . . 94 D HN . 16192 1 959 . 2 2 94 94 ASP HA H 1 4.109 0.05 . 1 . . . . 94 D HA . 16192 1 960 . 2 2 94 94 ASP HB2 H 1 2.641 0.05 . 2 . . . . 94 D HB2 . 16192 1 961 . 2 2 94 94 ASP HB3 H 1 2.487 0.05 . 2 . . . . 94 D HB3 . 16192 1 962 . 2 2 94 94 ASP CA C 13 57.288 0.2 . 1 . . . . 94 D CA . 16192 1 963 . 2 2 94 94 ASP CB C 13 40.602 0.2 . 1 . . . . 94 D CB . 16192 1 964 . 2 2 94 94 ASP N N 15 116.623 0.2 . 1 . . . . 94 D N . 16192 1 965 . 2 2 95 95 TRP H H 1 7.732 0.05 . 1 . . . . 95 W HN . 16192 1 966 . 2 2 95 95 TRP HA H 1 4.208 0.05 . 1 . . . . 95 W HA . 16192 1 967 . 2 2 95 95 TRP HB2 H 1 3.429 0.05 . 2 . . . . 95 W HB2 . 16192 1 968 . 2 2 95 95 TRP HB3 H 1 3.376 0.05 . 2 . . . . 95 W HB3 . 16192 1 969 . 2 2 95 95 TRP HD1 H 1 7.119 0.05 . 1 . . . . 95 W HD1 . 16192 1 970 . 2 2 95 95 TRP HE1 H 1 9.947 0.05 . 1 . . . . 95 W HE1 . 16192 1 971 . 2 2 95 95 TRP HE3 H 1 7.530 0.05 . 1 . . . . 95 W HE3 . 16192 1 972 . 2 2 95 95 TRP HH2 H 1 7.030 0.05 . 1 . . . . 95 W HH2 . 16192 1 973 . 2 2 95 95 TRP HZ2 H 1 7.116 0.05 . 1 . . . . 95 W HZ2 . 16192 1 974 . 2 2 95 95 TRP HZ3 H 1 7.062 0.05 . 1 . . . . 95 W HZ3 . 16192 1 975 . 2 2 95 95 TRP CA C 13 61.514 0.2 . 1 . . . . 95 W CA . 16192 1 976 . 2 2 95 95 TRP CB C 13 29.285 0.2 . 1 . . . . 95 W CB . 16192 1 977 . 2 2 95 95 TRP N N 15 119.385 0.2 . 1 . . . . 95 W N . 16192 1 978 . 2 2 95 95 TRP NE1 N 15 129.420 0.2 . 1 . . . . 95 W NE1 . 16192 1 979 . 2 2 96 96 VAL H H 1 8.640 0.05 . 1 . . . . 96 V HN . 16192 1 980 . 2 2 96 96 VAL HA H 1 3.576 0.05 . 1 . . . . 96 V HA . 16192 1 981 . 2 2 96 96 VAL HB H 1 2.108 0.05 . 1 . . . . 96 V HB . 16192 1 982 . 2 2 96 96 VAL HG11 H 1 1.352 0.05 . . . . . . 96 V QG1 . 16192 1 983 . 2 2 96 96 VAL HG12 H 1 1.352 0.05 . . . . . . 96 V QG1 . 16192 1 984 . 2 2 96 96 VAL HG13 H 1 1.352 0.05 . . . . . . 96 V QG1 . 16192 1 985 . 2 2 96 96 VAL HG21 H 1 1.094 0.05 . . . . . . 96 V QG2 . 16192 1 986 . 2 2 96 96 VAL HG22 H 1 1.094 0.05 . . . . . . 96 V QG2 . 16192 1 987 . 2 2 96 96 VAL HG23 H 1 1.094 0.05 . . . . . . 96 V QG2 . 16192 1 988 . 2 2 96 96 VAL CA C 13 66.740 0.2 . 1 . . . . 96 V CA . 16192 1 989 . 2 2 96 96 VAL CB C 13 31.847 0.2 . 1 . . . . 96 V CB . 16192 1 990 . 2 2 96 96 VAL CG1 C 13 23.690 0.2 . 2 . . . . 96 V CG1 . 16192 1 991 . 2 2 96 96 VAL CG2 C 13 21.761 0.2 . 2 . . . . 96 V CG2 . 16192 1 992 . 2 2 96 96 VAL N N 15 120.079 0.2 . 1 . . . . 96 V N . 16192 1 993 . 2 2 97 97 LEU H H 1 8.484 0.05 . 1 . . . . 97 L HN . 16192 1 994 . 2 2 97 97 LEU HA H 1 4.049 0.05 . 1 . . . . 97 L HA . 16192 1 995 . 2 2 97 97 LEU HB2 H 1 1.791 0.05 . 2 . . . . 97 L HB2 . 16192 1 996 . 2 2 97 97 LEU HB3 H 1 1.394 0.05 . 2 . . . . 97 L HB3 . 16192 1 997 . 2 2 97 97 LEU HD11 H 1 0.926 0.05 . . . . . . 97 L QD1 . 16192 1 998 . 2 2 97 97 LEU HD12 H 1 0.926 0.05 . . . . . . 97 L QD1 . 16192 1 999 . 2 2 97 97 LEU HD13 H 1 0.926 0.05 . . . . . . 97 L QD1 . 16192 1 1000 . 2 2 97 97 LEU HD21 H 1 0.629 0.05 . . . . . . 97 L QD2 . 16192 1 1001 . 2 2 97 97 LEU HD22 H 1 0.629 0.05 . . . . . . 97 L QD2 . 16192 1 1002 . 2 2 97 97 LEU HD23 H 1 0.629 0.05 . . . . . . 97 L QD2 . 16192 1 1003 . 2 2 97 97 LEU HG H 1 1.761 0.05 . 1 . . . . 97 L HG . 16192 1 1004 . 2 2 97 97 LEU CA C 13 57.857 0.2 . 1 . . . . 97 L CA . 16192 1 1005 . 2 2 97 97 LEU CB C 13 41.071 0.2 . 1 . . . . 97 L CB . 16192 1 1006 . 2 2 97 97 LEU CD1 C 13 22.891 0.2 . 2 . . . . 97 L CD1 . 16192 1 1007 . 2 2 97 97 LEU CD2 C 13 26.159 0.2 . 2 . . . . 97 L CD2 . 16192 1 1008 . 2 2 97 97 LEU CG C 13 26.779 0.2 . 1 . . . . 97 L CG . 16192 1 1009 . 2 2 97 97 LEU N N 15 119.191 0.2 . 1 . . . . 97 L N . 16192 1 1010 . 2 2 98 98 LYS H H 1 7.512 0.05 . 1 . . . . 98 K HN . 16192 1 1011 . 2 2 98 98 LYS HA H 1 4.066 0.05 . 1 . . . . 98 K HA . 16192 1 1012 . 2 2 98 98 LYS HB2 H 1 1.618 0.05 . 2 . . . . 98 K HB2 . 16192 1 1013 . 2 2 98 98 LYS HB3 H 1 1.451 0.05 . 2 . . . . 98 K HB3 . 16192 1 1014 . 2 2 98 98 LYS HD2 H 1 1.445 0.05 . 2 . . . . 98 K QD . 16192 1 1015 . 2 2 98 98 LYS HD3 H 1 1.445 0.05 . 2 . . . . 98 K QD . 16192 1 1016 . 2 2 98 98 LYS HE2 H 1 2.804 0.05 . 2 . . . . 98 K QE . 16192 1 1017 . 2 2 98 98 LYS HE3 H 1 2.804 0.05 . 2 . . . . 98 K QE . 16192 1 1018 . 2 2 98 98 LYS HG2 H 1 1.207 0.05 . 2 . . . . 98 K HG2 . 16192 1 1019 . 2 2 98 98 LYS HG3 H 1 1.080 0.05 . 2 . . . . 98 K HG3 . 16192 1 1020 . 2 2 98 98 LYS CA C 13 57.582 0.2 . 1 . . . . 98 K CA . 16192 1 1021 . 2 2 98 98 LYS CB C 13 32.493 0.2 . 1 . . . . 98 K CB . 16192 1 1022 . 2 2 98 98 LYS CD C 13 28.875 0.2 . 1 . . . . 98 K CD . 16192 1 1023 . 2 2 98 98 LYS CE C 13 41.994 0.2 . 1 . . . . 98 K CE . 16192 1 1024 . 2 2 98 98 LYS CG C 13 25.044 0.2 . 1 . . . . 98 K CG . 16192 1 1025 . 2 2 98 98 LYS N N 15 117.086 0.2 . 1 . . . . 98 K N . 16192 1 1026 . 2 2 99 99 HIS H H 1 7.508 0.05 . 1 . . . . 99 H HN . 16192 1 1027 . 2 2 99 99 HIS HA H 1 4.487 0.05 . 1 . . . . 99 H HA . 16192 1 1028 . 2 2 99 99 HIS HB2 H 1 3.093 0.05 . 2 . . . . 99 H HB2 . 16192 1 1029 . 2 2 99 99 HIS HB3 H 1 2.460 0.05 . 2 . . . . 99 H HB3 . 16192 1 1030 . 2 2 99 99 HIS HD2 H 1 6.816 0.05 . 1 . . . . 99 H HD2 . 16192 1 1031 . 2 2 99 99 HIS HE1 H 1 7.718 0.05 . 1 . . . . 99 H HE1 . 16192 1 1032 . 2 2 99 99 HIS CA C 13 56.476 0.2 . 1 . . . . 99 H CA . 16192 1 1033 . 2 2 99 99 HIS CB C 13 28.705 0.2 . 1 . . . . 99 H CB . 16192 1 1034 . 2 2 99 99 HIS N N 15 116.961 0.2 . 1 . . . . 99 H N . 16192 1 1035 . 2 2 100 100 SER H H 1 7.571 0.05 . 1 . . . . 100 S HN . 16192 1 1036 . 2 2 100 100 SER HA H 1 4.690 0.05 . 1 . . . . 100 S HA . 16192 1 1037 . 2 2 100 100 SER HB2 H 1 4.009 0.05 . 2 . . . . 100 S HB2 . 16192 1 1038 . 2 2 100 100 SER HB3 H 1 3.985 0.05 . 2 . . . . 100 S HB3 . 16192 1 1039 . 2 2 100 100 SER CB C 13 64.455 0.2 . 1 . . . . 100 S CB . 16192 1 1040 . 2 2 100 100 SER N N 15 114.623 0.2 . 1 . . . . 100 S N . 16192 1 1041 . 2 2 101 101 GLY H H 1 7.895 0.05 . 1 . . . . 101 G HN . 16192 1 1042 . 2 2 101 101 GLY HA2 H 1 4.128 0.05 . . . . . . 101 G HA2 . 16192 1 1043 . 2 2 101 101 GLY HA3 H 1 3.870 0.05 . 2 . . . . 101 G HA3 . 16192 1 1044 . 2 2 101 101 GLY CA C 13 44.839 0.2 . 1 . . . . 101 G CA . 16192 1 1045 . 2 2 101 101 GLY N N 15 109.433 0.2 . 1 . . . . 101 G N . 16192 1 stop_ save_