data_17936 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17936 _Entry.Title ; N/A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-09-13 _Entry.Accession_date 2011-09-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Pierre Barraud . . . 17936 2 Frederic Allain . H.-T. . 17936 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17936 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ADAR . 17936 drosophila . 17936 dsRBD . 17936 dsRBM . 17936 editing . 17936 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17936 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 263 17936 '15N chemical shifts' 75 17936 '1H chemical shifts' 559 17936 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 . . 2012-06-29 2011-09-13 update BMRB 'update entry citation' 17936 1 . . 2012-01-09 2011-09-13 original author 'original release' 17936 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LJH 'BMRB Entry Tracking System' 17936 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17936 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22210494 _Citation.Full_citation . _Citation.Title 'Solution structure of the N-terminal dsRBD of Drosophila ADAR and interaction studies with RNA.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochimie _Citation.Journal_name_full Biochimie _Citation.Journal_volume 94 _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 1499 _Citation.Page_last 1509 _Citation.Year 2012 _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 Pierre Barraud . . . 17936 1 2 Bret Heale . S.E. . 17936 1 3 Mary Allain . A. . 17936 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17936 _Assembly.ID 1 _Assembly.Name dADAR-dsRBD1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 dADAR-dsRBD1 1 $dADAR-dsRBD1 A . yes native no no . . . 17936 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_dADAR-dsRBD1 _Entity.Sf_category entity _Entity.Sf_framecode dADAR-dsRBD1 _Entity.Entry_ID 17936 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name dADAR-dsRBD1 _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 ; SDPKKKMCKERIPQPKNTVA MLNELRHGLIYKLESQTGPV HAPLFTISVEVDGQKYLGQG RSKKVARIEAAATALRSFIQ FKDGAVLSPLKPA ; _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 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10262.124 _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 2LJH . "Nmr Structure Of Double-Stranded Rna-Specific Editase Adar" . . . . . 100.00 114 100.00 100.00 2.47e-60 . . . . 17936 1 2 no EMBL CAA22774 . "EG:BACN35H14.1 [Drosophila melanogaster]" . . . . . 100.00 653 100.00 100.00 4.25e-55 . . . . 17936 1 3 no GB AAF45665 . "adenosine deaminase acting on RNA, isoform A [Drosophila melanogaster]" . . . . . 100.00 632 100.00 100.00 3.22e-55 . . . . 17936 1 4 no GB AAF63702 . "alternative double-stranded RNA-specific adenosine deaminase b [Drosophila melanogaster]" . . . . . 100.00 669 100.00 100.00 3.50e-55 . . . . 17936 1 5 no GB AAF63703 . "double-stranded RNA-specific adenosine deaminase a [Drosophila melanogaster]" . . . . . 100.00 632 100.00 100.00 3.39e-55 . . . . 17936 1 6 no GB AAK26850 . "pre-mRNA adenosine deaminase [Drosophila melanogaster]" . . . . . 100.00 632 100.00 100.00 3.22e-55 . . . . 17936 1 7 no GB AAN09057 . "adenosine deaminase acting on RNA, isoform B [Drosophila melanogaster]" . . . . . 100.00 628 100.00 100.00 3.12e-55 . . . . 17936 1 8 no REF NP_001033821 . "adenosine deaminase acting on RNA, isoform C [Drosophila melanogaster]" . . . . . 100.00 186 100.00 100.00 8.91e-60 . . . . 17936 1 9 no REF NP_001245469 . "adenosine deaminase acting on RNA, isoform I [Drosophila melanogaster]" . . . . . 100.00 632 100.00 100.00 3.22e-55 . . . . 17936 1 10 no REF NP_001245470 . "adenosine deaminase acting on RNA, isoform J [Drosophila melanogaster]" . . . . . 100.00 389 100.00 100.00 1.46e-57 . . . . 17936 1 11 no REF NP_001245471 . "adenosine deaminase acting on RNA, isoform K [Drosophila melanogaster]" . . . . . 100.00 392 100.00 100.00 1.36e-57 . . . . 17936 1 12 no REF NP_001245472 . "adenosine deaminase acting on RNA, isoform O [Drosophila melanogaster]" . . . . . 100.00 355 100.00 100.00 8.90e-58 . . . . 17936 1 13 no SP Q9NII1 . "RecName: Full=Double-stranded RNA-specific editase Adar; AltName: Full=Adenosine deaminase that act on RNA; AltName: Full=Pre-m" . . . . . 100.00 676 100.00 100.00 3.67e-55 . . . . 17936 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 48 SER . 17936 1 2 49 ASP . 17936 1 3 50 PRO . 17936 1 4 51 LYS . 17936 1 5 52 LYS . 17936 1 6 53 LYS . 17936 1 7 54 MET . 17936 1 8 55 CYS . 17936 1 9 56 LYS . 17936 1 10 57 GLU . 17936 1 11 58 ARG . 17936 1 12 59 ILE . 17936 1 13 60 PRO . 17936 1 14 61 GLN . 17936 1 15 62 PRO . 17936 1 16 63 LYS . 17936 1 17 64 ASN . 17936 1 18 65 THR . 17936 1 19 66 VAL . 17936 1 20 67 ALA . 17936 1 21 68 MET . 17936 1 22 69 LEU . 17936 1 23 70 ASN . 17936 1 24 71 GLU . 17936 1 25 72 LEU . 17936 1 26 73 ARG . 17936 1 27 74 HIS . 17936 1 28 75 GLY . 17936 1 29 76 LEU . 17936 1 30 77 ILE . 17936 1 31 78 TYR . 17936 1 32 79 LYS . 17936 1 33 80 LEU . 17936 1 34 81 GLU . 17936 1 35 82 SER . 17936 1 36 83 GLN . 17936 1 37 84 THR . 17936 1 38 85 GLY . 17936 1 39 86 PRO . 17936 1 40 87 VAL . 17936 1 41 88 HIS . 17936 1 42 89 ALA . 17936 1 43 90 PRO . 17936 1 44 91 LEU . 17936 1 45 92 PHE . 17936 1 46 93 THR . 17936 1 47 94 ILE . 17936 1 48 95 SER . 17936 1 49 96 VAL . 17936 1 50 97 GLU . 17936 1 51 98 VAL . 17936 1 52 99 ASP . 17936 1 53 100 GLY . 17936 1 54 101 GLN . 17936 1 55 102 LYS . 17936 1 56 103 TYR . 17936 1 57 104 LEU . 17936 1 58 105 GLY . 17936 1 59 106 GLN . 17936 1 60 107 GLY . 17936 1 61 108 ARG . 17936 1 62 109 SER . 17936 1 63 110 LYS . 17936 1 64 111 LYS . 17936 1 65 112 VAL . 17936 1 66 113 ALA . 17936 1 67 114 ARG . 17936 1 68 115 ILE . 17936 1 69 116 GLU . 17936 1 70 117 ALA . 17936 1 71 118 ALA . 17936 1 72 119 ALA . 17936 1 73 120 THR . 17936 1 74 121 ALA . 17936 1 75 122 LEU . 17936 1 76 123 ARG . 17936 1 77 124 SER . 17936 1 78 125 PHE . 17936 1 79 126 ILE . 17936 1 80 127 GLN . 17936 1 81 128 PHE . 17936 1 82 129 LYS . 17936 1 83 130 ASP . 17936 1 84 131 GLY . 17936 1 85 132 ALA . 17936 1 86 133 VAL . 17936 1 87 134 LEU . 17936 1 88 135 SER . 17936 1 89 136 PRO . 17936 1 90 137 LEU . 17936 1 91 138 LYS . 17936 1 92 139 PRO . 17936 1 93 140 ALA . 17936 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 . SER 1 1 17936 1 . ASP 2 2 17936 1 . PRO 3 3 17936 1 . LYS 4 4 17936 1 . LYS 5 5 17936 1 . LYS 6 6 17936 1 . MET 7 7 17936 1 . CYS 8 8 17936 1 . LYS 9 9 17936 1 . GLU 10 10 17936 1 . ARG 11 11 17936 1 . ILE 12 12 17936 1 . PRO 13 13 17936 1 . GLN 14 14 17936 1 . PRO 15 15 17936 1 . LYS 16 16 17936 1 . ASN 17 17 17936 1 . THR 18 18 17936 1 . VAL 19 19 17936 1 . ALA 20 20 17936 1 . MET 21 21 17936 1 . LEU 22 22 17936 1 . ASN 23 23 17936 1 . GLU 24 24 17936 1 . LEU 25 25 17936 1 . ARG 26 26 17936 1 . HIS 27 27 17936 1 . GLY 28 28 17936 1 . LEU 29 29 17936 1 . ILE 30 30 17936 1 . TYR 31 31 17936 1 . LYS 32 32 17936 1 . LEU 33 33 17936 1 . GLU 34 34 17936 1 . SER 35 35 17936 1 . GLN 36 36 17936 1 . THR 37 37 17936 1 . GLY 38 38 17936 1 . PRO 39 39 17936 1 . VAL 40 40 17936 1 . HIS 41 41 17936 1 . ALA 42 42 17936 1 . PRO 43 43 17936 1 . LEU 44 44 17936 1 . PHE 45 45 17936 1 . THR 46 46 17936 1 . ILE 47 47 17936 1 . SER 48 48 17936 1 . VAL 49 49 17936 1 . GLU 50 50 17936 1 . VAL 51 51 17936 1 . ASP 52 52 17936 1 . GLY 53 53 17936 1 . GLN 54 54 17936 1 . LYS 55 55 17936 1 . TYR 56 56 17936 1 . LEU 57 57 17936 1 . GLY 58 58 17936 1 . GLN 59 59 17936 1 . GLY 60 60 17936 1 . ARG 61 61 17936 1 . SER 62 62 17936 1 . LYS 63 63 17936 1 . LYS 64 64 17936 1 . VAL 65 65 17936 1 . ALA 66 66 17936 1 . ARG 67 67 17936 1 . ILE 68 68 17936 1 . GLU 69 69 17936 1 . ALA 70 70 17936 1 . ALA 71 71 17936 1 . ALA 72 72 17936 1 . THR 73 73 17936 1 . ALA 74 74 17936 1 . LEU 75 75 17936 1 . ARG 76 76 17936 1 . SER 77 77 17936 1 . PHE 78 78 17936 1 . ILE 79 79 17936 1 . GLN 80 80 17936 1 . PHE 81 81 17936 1 . LYS 82 82 17936 1 . ASP 83 83 17936 1 . GLY 84 84 17936 1 . ALA 85 85 17936 1 . VAL 86 86 17936 1 . LEU 87 87 17936 1 . SER 88 88 17936 1 . PRO 89 89 17936 1 . LEU 90 90 17936 1 . LYS 91 91 17936 1 . PRO 92 92 17936 1 . ALA 93 93 17936 1 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 17936 _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 $dADAR-dsRBD1 . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 17936 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 17936 _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 $dADAR-dsRBD1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)codon+RIL . . . . . . . . . . . . . . . pET28a . . . . . . 17936 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_15N _Sample.Sf_category sample _Sample.Sf_framecode sample_15N _Sample.Entry_ID 17936 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 dADAR-dsRBD1 [U-15N] . . 1 $dADAR-dsRBD1 . . . 0.8 1.2 mM . . . . 17936 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17936 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17936 1 stop_ save_ save_sample_13C15N _Sample.Sf_category sample _Sample.Sf_framecode sample_13C15N _Sample.Entry_ID 17936 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 dADAR-dsRBD1 '[U-13C; U-15N]' . . 1 $dADAR-dsRBD1 . . . 0.8 1.2 mM . . . . 17936 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17936 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17936 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17936 _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' 25 . mM 17936 1 pH 6.5 . pH 17936 1 pressure 1 . atm 17936 1 temperature 298 . K 17936 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17936 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17936 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17936 1 processing 17936 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17936 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17936 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17936 2 'data analysis' 17936 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17936 _Software.ID 3 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17936 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17936 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17936 _Software.ID 4 _Software.Name CNS _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17936 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17936 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17936 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17936 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17936 _NMR_spectrometer.ID 3 _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 17936 _NMR_spectrometer.ID 4 _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 17936 _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 . . . 17936 1 2 spectrometer_2 Bruker Avance . 600 . . . 17936 1 3 spectrometer_3 Bruker Avance . 700 . . . 17936 1 4 spectrometer_4 Bruker Avance . 900 . . . 17936 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 17936 _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_15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17936 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17936 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17936 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17936 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17936 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17936 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17936 1 8 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17936 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_15N isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17936 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 17936 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_13C15N isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17936 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 17936 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . . . . . 17936 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 17936 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 17936 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 17936 _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' . . . 17936 1 2 '2D 1H-13C HSQC aliphatic' . . . 17936 1 3 '2D 1H-13C HSQC aromatic' . . . 17936 1 4 '3D HNCA' . . . 17936 1 5 '3D HNCACB' . . . 17936 1 6 '3D CBCA(CO)NH' . . . 17936 1 7 '3D HCCH-TOCSY' . . . 17936 1 8 '3D H(CCO)NH' . . . 17936 1 9 '3D 1H-15N NOESY' . . . 17936 1 10 '3D 1H-13C NOESY aliphatic' . . . 17936 1 11 '3D 1H-13C NOESY aromatic' . . . 17936 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 12 12 ILE HA H 1 4.373 0.050 . 1 . . . A 59 ILE HA . 17936 1 2 . 1 1 12 12 ILE HB H 1 1.774 0.050 . 1 . . . A 59 ILE HB . 17936 1 3 . 1 1 12 12 ILE HG12 H 1 1.083 0.050 . 2 . . . A 59 ILE HG12 . 17936 1 4 . 1 1 12 12 ILE HG13 H 1 1.412 0.050 . 2 . . . A 59 ILE HG13 . 17936 1 5 . 1 1 12 12 ILE HG21 H 1 0.858 0.050 . 1 . . . A 59 ILE HG21 . 17936 1 6 . 1 1 12 12 ILE HG22 H 1 0.858 0.050 . 1 . . . A 59 ILE HG22 . 17936 1 7 . 1 1 12 12 ILE HG23 H 1 0.858 0.050 . 1 . . . A 59 ILE HG23 . 17936 1 8 . 1 1 12 12 ILE HD11 H 1 0.766 0.050 . 1 . . . A 59 ILE HD11 . 17936 1 9 . 1 1 12 12 ILE HD12 H 1 0.766 0.050 . 1 . . . A 59 ILE HD12 . 17936 1 10 . 1 1 12 12 ILE HD13 H 1 0.766 0.050 . 1 . . . A 59 ILE HD13 . 17936 1 11 . 1 1 12 12 ILE CA C 13 58.391 0.200 . 1 . . . A 59 ILE CA . 17936 1 12 . 1 1 12 12 ILE CB C 13 38.566 0.200 . 1 . . . A 59 ILE CB . 17936 1 13 . 1 1 12 12 ILE CG1 C 13 26.873 0.200 . 1 . . . A 59 ILE CG1 . 17936 1 14 . 1 1 12 12 ILE CG2 C 13 17.017 0.200 . 1 . . . A 59 ILE CG2 . 17936 1 15 . 1 1 12 12 ILE CD1 C 13 12.676 0.200 . 1 . . . A 59 ILE CD1 . 17936 1 16 . 1 1 13 13 PRO HA H 1 4.361 0.050 . 1 . . . A 60 PRO HA . 17936 1 17 . 1 1 13 13 PRO HB2 H 1 2.233 0.050 . 1 . . . A 60 PRO HB2 . 17936 1 18 . 1 1 13 13 PRO HB3 H 1 2.233 0.050 . 1 . . . A 60 PRO HB3 . 17936 1 19 . 1 1 13 13 PRO HG2 H 1 1.953 0.050 . 1 . . . A 60 PRO HG2 . 17936 1 20 . 1 1 13 13 PRO HG3 H 1 1.953 0.050 . 1 . . . A 60 PRO HG3 . 17936 1 21 . 1 1 13 13 PRO HD2 H 1 3.590 0.050 . 2 . . . A 60 PRO HD2 . 17936 1 22 . 1 1 13 13 PRO HD3 H 1 3.803 0.050 . 2 . . . A 60 PRO HD3 . 17936 1 23 . 1 1 13 13 PRO CA C 13 63.120 0.200 . 1 . . . A 60 PRO CA . 17936 1 24 . 1 1 13 13 PRO CB C 13 32.137 0.200 . 1 . . . A 60 PRO CB . 17936 1 25 . 1 1 13 13 PRO CG C 13 27.261 0.200 . 1 . . . A 60 PRO CG . 17936 1 26 . 1 1 13 13 PRO CD C 13 50.893 0.200 . 1 . . . A 60 PRO CD . 17936 1 27 . 1 1 14 14 GLN HA H 1 4.468 0.050 . 1 . . . A 61 GLN HA . 17936 1 28 . 1 1 14 14 GLN HB2 H 1 1.809 0.050 . 2 . . . A 61 GLN HB2 . 17936 1 29 . 1 1 14 14 GLN HB3 H 1 1.981 0.050 . 2 . . . A 61 GLN HB3 . 17936 1 30 . 1 1 14 14 GLN HG2 H 1 2.312 0.050 . 1 . . . A 61 GLN HG2 . 17936 1 31 . 1 1 14 14 GLN HG3 H 1 2.312 0.050 . 1 . . . A 61 GLN HG3 . 17936 1 32 . 1 1 14 14 GLN HE21 H 1 6.824 0.050 . 2 . . . A 61 GLN HE21 . 17936 1 33 . 1 1 14 14 GLN HE22 H 1 7.490 0.050 . 2 . . . A 61 GLN HE22 . 17936 1 34 . 1 1 14 14 GLN CA C 13 53.462 0.200 . 1 . . . A 61 GLN CA . 17936 1 35 . 1 1 14 14 GLN CB C 13 29.070 0.200 . 1 . . . A 61 GLN CB . 17936 1 36 . 1 1 14 14 GLN CG C 13 33.495 0.200 . 1 . . . A 61 GLN CG . 17936 1 37 . 1 1 14 14 GLN NE2 N 15 112.814 0.200 . 1 . . . A 61 GLN NE2 . 17936 1 38 . 1 1 17 17 ASN H H 1 7.530 0.050 . 1 . . . A 64 ASN H . 17936 1 39 . 1 1 17 17 ASN HA H 1 4.695 0.050 . 1 . . . A 64 ASN HA . 17936 1 40 . 1 1 17 17 ASN HB2 H 1 2.888 0.050 . 2 . . . A 64 ASN HB2 . 17936 1 41 . 1 1 17 17 ASN HB3 H 1 2.924 0.050 . 2 . . . A 64 ASN HB3 . 17936 1 42 . 1 1 17 17 ASN HD21 H 1 6.873 0.050 . 2 . . . A 64 ASN HD21 . 17936 1 43 . 1 1 17 17 ASN HD22 H 1 7.726 0.050 . 2 . . . A 64 ASN HD22 . 17936 1 44 . 1 1 17 17 ASN CA C 13 51.708 0.200 . 1 . . . A 64 ASN CA . 17936 1 45 . 1 1 17 17 ASN CB C 13 38.534 0.200 . 1 . . . A 64 ASN CB . 17936 1 46 . 1 1 17 17 ASN N N 15 112.666 0.200 . 1 . . . A 64 ASN N . 17936 1 47 . 1 1 17 17 ASN ND2 N 15 113.032 0.200 . 1 . . . A 64 ASN ND2 . 17936 1 48 . 1 1 18 18 THR H H 1 7.961 0.050 . 1 . . . A 65 THR H . 17936 1 49 . 1 1 18 18 THR HA H 1 3.693 0.050 . 1 . . . A 65 THR HA . 17936 1 50 . 1 1 18 18 THR HB H 1 3.892 0.050 . 1 . . . A 65 THR HB . 17936 1 51 . 1 1 18 18 THR HG21 H 1 1.186 0.050 . 1 . . . A 65 THR HG21 . 17936 1 52 . 1 1 18 18 THR HG22 H 1 1.186 0.050 . 1 . . . A 65 THR HG22 . 17936 1 53 . 1 1 18 18 THR HG23 H 1 1.186 0.050 . 1 . . . A 65 THR HG23 . 17936 1 54 . 1 1 18 18 THR CA C 13 65.032 0.200 . 1 . . . A 65 THR CA . 17936 1 55 . 1 1 18 18 THR CB C 13 67.649 0.200 . 1 . . . A 65 THR CB . 17936 1 56 . 1 1 18 18 THR CG2 C 13 23.788 0.200 . 1 . . . A 65 THR CG2 . 17936 1 57 . 1 1 18 18 THR N N 15 112.254 0.200 . 1 . . . A 65 THR N . 17936 1 58 . 1 1 19 19 VAL H H 1 7.051 0.050 . 1 . . . A 66 VAL H . 17936 1 59 . 1 1 19 19 VAL HA H 1 3.391 0.050 . 1 . . . A 66 VAL HA . 17936 1 60 . 1 1 19 19 VAL HB H 1 1.875 0.050 . 1 . . . A 66 VAL HB . 17936 1 61 . 1 1 19 19 VAL HG11 H 1 0.681 0.050 . 2 . . . A 66 VAL HG11 . 17936 1 62 . 1 1 19 19 VAL HG12 H 1 0.681 0.050 . 2 . . . A 66 VAL HG12 . 17936 1 63 . 1 1 19 19 VAL HG13 H 1 0.681 0.050 . 2 . . . A 66 VAL HG13 . 17936 1 64 . 1 1 19 19 VAL HG21 H 1 0.661 0.050 . 2 . . . A 66 VAL HG21 . 17936 1 65 . 1 1 19 19 VAL HG22 H 1 0.661 0.050 . 2 . . . A 66 VAL HG22 . 17936 1 66 . 1 1 19 19 VAL HG23 H 1 0.661 0.050 . 2 . . . A 66 VAL HG23 . 17936 1 67 . 1 1 19 19 VAL CA C 13 65.741 0.200 . 1 . . . A 66 VAL CA . 17936 1 68 . 1 1 19 19 VAL CB C 13 31.830 0.200 . 1 . . . A 66 VAL CB . 17936 1 69 . 1 1 19 19 VAL CG1 C 13 20.247 0.200 . 1 . . . A 66 VAL CG1 . 17936 1 70 . 1 1 19 19 VAL CG2 C 13 22.641 0.200 . 1 . . . A 66 VAL CG2 . 17936 1 71 . 1 1 19 19 VAL N N 15 122.266 0.200 . 1 . . . A 66 VAL N . 17936 1 72 . 1 1 20 20 ALA H H 1 7.571 0.050 . 1 . . . A 67 ALA H . 17936 1 73 . 1 1 20 20 ALA HA H 1 4.050 0.050 . 1 . . . A 67 ALA HA . 17936 1 74 . 1 1 20 20 ALA HB1 H 1 1.357 0.050 . 1 . . . A 67 ALA HB1 . 17936 1 75 . 1 1 20 20 ALA HB2 H 1 1.357 0.050 . 1 . . . A 67 ALA HB2 . 17936 1 76 . 1 1 20 20 ALA HB3 H 1 1.357 0.050 . 1 . . . A 67 ALA HB3 . 17936 1 77 . 1 1 20 20 ALA CA C 13 54.676 0.200 . 1 . . . A 67 ALA CA . 17936 1 78 . 1 1 20 20 ALA CB C 13 18.280 0.200 . 1 . . . A 67 ALA CB . 17936 1 79 . 1 1 20 20 ALA N N 15 122.426 0.200 . 1 . . . A 67 ALA N . 17936 1 80 . 1 1 21 21 MET H H 1 8.052 0.050 . 1 . . . A 68 MET H . 17936 1 81 . 1 1 21 21 MET HA H 1 3.951 0.050 . 1 . . . A 68 MET HA . 17936 1 82 . 1 1 21 21 MET HB2 H 1 1.905 0.050 . 2 . . . A 68 MET HB2 . 17936 1 83 . 1 1 21 21 MET HB3 H 1 1.942 0.050 . 2 . . . A 68 MET HB3 . 17936 1 84 . 1 1 21 21 MET HG2 H 1 2.359 0.050 . 2 . . . A 68 MET HG2 . 17936 1 85 . 1 1 21 21 MET HG3 H 1 2.483 0.050 . 2 . . . A 68 MET HG3 . 17936 1 86 . 1 1 21 21 MET HE1 H 1 1.920 0.050 . 1 . . . A 68 MET HE1 . 17936 1 87 . 1 1 21 21 MET HE2 H 1 1.920 0.050 . 1 . . . A 68 MET HE2 . 17936 1 88 . 1 1 21 21 MET HE3 H 1 1.920 0.050 . 1 . . . A 68 MET HE3 . 17936 1 89 . 1 1 21 21 MET CA C 13 58.956 0.200 . 1 . . . A 68 MET CA . 17936 1 90 . 1 1 21 21 MET CB C 13 33.342 0.200 . 1 . . . A 68 MET CB . 17936 1 91 . 1 1 21 21 MET CG C 13 32.038 0.200 . 1 . . . A 68 MET CG . 17936 1 92 . 1 1 21 21 MET CE C 13 16.951 0.200 . 1 . . . A 68 MET CE . 17936 1 93 . 1 1 21 21 MET N N 15 117.336 0.200 . 1 . . . A 68 MET N . 17936 1 94 . 1 1 22 22 LEU H H 1 8.300 0.050 . 1 . . . A 69 LEU H . 17936 1 95 . 1 1 22 22 LEU HA H 1 3.979 0.050 . 1 . . . A 69 LEU HA . 17936 1 96 . 1 1 22 22 LEU HB2 H 1 1.249 0.050 . 2 . . . A 69 LEU HB2 . 17936 1 97 . 1 1 22 22 LEU HB3 H 1 1.990 0.050 . 2 . . . A 69 LEU HB3 . 17936 1 98 . 1 1 22 22 LEU HG H 1 0.849 0.050 . 1 . . . A 69 LEU HG . 17936 1 99 . 1 1 22 22 LEU HD11 H 1 0.733 0.050 . 1 . . . A 69 LEU HD11 . 17936 1 100 . 1 1 22 22 LEU HD12 H 1 0.733 0.050 . 1 . . . A 69 LEU HD12 . 17936 1 101 . 1 1 22 22 LEU HD13 H 1 0.733 0.050 . 1 . . . A 69 LEU HD13 . 17936 1 102 . 1 1 22 22 LEU CA C 13 57.932 0.200 . 1 . . . A 69 LEU CA . 17936 1 103 . 1 1 22 22 LEU CB C 13 40.890 0.200 . 1 . . . A 69 LEU CB . 17936 1 104 . 1 1 22 22 LEU CG C 13 26.626 0.200 . 1 . . . A 69 LEU CG . 17936 1 105 . 1 1 22 22 LEU CD1 C 13 22.745 0.200 . 1 . . . A 69 LEU CD1 . 17936 1 106 . 1 1 22 22 LEU N N 15 120.553 0.200 . 1 . . . A 69 LEU N . 17936 1 107 . 1 1 23 23 ASN H H 1 7.953 0.050 . 1 . . . A 70 ASN H . 17936 1 108 . 1 1 23 23 ASN HA H 1 4.609 0.050 . 1 . . . A 70 ASN HA . 17936 1 109 . 1 1 23 23 ASN HB2 H 1 2.797 0.050 . 2 . . . A 70 ASN HB2 . 17936 1 110 . 1 1 23 23 ASN HB3 H 1 2.827 0.050 . 2 . . . A 70 ASN HB3 . 17936 1 111 . 1 1 23 23 ASN HD21 H 1 6.860 0.050 . 2 . . . A 70 ASN HD21 . 17936 1 112 . 1 1 23 23 ASN HD22 H 1 7.742 0.050 . 2 . . . A 70 ASN HD22 . 17936 1 113 . 1 1 23 23 ASN CA C 13 54.817 0.200 . 1 . . . A 70 ASN CA . 17936 1 114 . 1 1 23 23 ASN CB C 13 38.505 0.200 . 1 . . . A 70 ASN CB . 17936 1 115 . 1 1 23 23 ASN N N 15 116.388 0.200 . 1 . . . A 70 ASN N . 17936 1 116 . 1 1 23 23 ASN ND2 N 15 114.517 0.200 . 1 . . . A 70 ASN ND2 . 17936 1 117 . 1 1 24 24 GLU H H 1 7.299 0.050 . 1 . . . A 71 GLU H . 17936 1 118 . 1 1 24 24 GLU HA H 1 4.039 0.050 . 1 . . . A 71 GLU HA . 17936 1 119 . 1 1 24 24 GLU HB2 H 1 2.031 0.050 . 1 . . . A 71 GLU HB2 . 17936 1 120 . 1 1 24 24 GLU HB3 H 1 2.031 0.050 . 1 . . . A 71 GLU HB3 . 17936 1 121 . 1 1 24 24 GLU HG2 H 1 2.222 0.050 . 2 . . . A 71 GLU HG2 . 17936 1 122 . 1 1 24 24 GLU HG3 H 1 2.401 0.050 . 2 . . . A 71 GLU HG3 . 17936 1 123 . 1 1 24 24 GLU CA C 13 57.909 0.200 . 1 . . . A 71 GLU CA . 17936 1 124 . 1 1 24 24 GLU CB C 13 29.791 0.200 . 1 . . . A 71 GLU CB . 17936 1 125 . 1 1 24 24 GLU CG C 13 36.362 0.200 . 1 . . . A 71 GLU CG . 17936 1 126 . 1 1 24 24 GLU N N 15 115.648 0.200 . 1 . . . A 71 GLU N . 17936 1 127 . 1 1 25 25 LEU H H 1 7.264 0.050 . 1 . . . A 72 LEU H . 17936 1 128 . 1 1 25 25 LEU HA H 1 4.158 0.050 . 1 . . . A 72 LEU HA . 17936 1 129 . 1 1 25 25 LEU HB2 H 1 1.271 0.050 . 2 . . . A 72 LEU HB2 . 17936 1 130 . 1 1 25 25 LEU HB3 H 1 1.703 0.050 . 2 . . . A 72 LEU HB3 . 17936 1 131 . 1 1 25 25 LEU HG H 1 1.609 0.050 . 1 . . . A 72 LEU HG . 17936 1 132 . 1 1 25 25 LEU HD11 H 1 0.482 0.050 . 2 . . . A 72 LEU HD11 . 17936 1 133 . 1 1 25 25 LEU HD12 H 1 0.482 0.050 . 2 . . . A 72 LEU HD12 . 17936 1 134 . 1 1 25 25 LEU HD13 H 1 0.482 0.050 . 2 . . . A 72 LEU HD13 . 17936 1 135 . 1 1 25 25 LEU HD21 H 1 0.626 0.050 . 2 . . . A 72 LEU HD21 . 17936 1 136 . 1 1 25 25 LEU HD22 H 1 0.626 0.050 . 2 . . . A 72 LEU HD22 . 17936 1 137 . 1 1 25 25 LEU HD23 H 1 0.626 0.050 . 2 . . . A 72 LEU HD23 . 17936 1 138 . 1 1 25 25 LEU CA C 13 56.127 0.200 . 1 . . . A 72 LEU CA . 17936 1 139 . 1 1 25 25 LEU CB C 13 43.514 0.200 . 1 . . . A 72 LEU CB . 17936 1 140 . 1 1 25 25 LEU CG C 13 27.043 0.200 . 1 . . . A 72 LEU CG . 17936 1 141 . 1 1 25 25 LEU CD1 C 13 25.249 0.200 . 1 . . . A 72 LEU CD1 . 17936 1 142 . 1 1 25 25 LEU CD2 C 13 22.622 0.200 . 1 . . . A 72 LEU CD2 . 17936 1 143 . 1 1 25 25 LEU N N 15 118.197 0.200 . 1 . . . A 72 LEU N . 17936 1 144 . 1 1 26 26 ARG H H 1 8.130 0.050 . 1 . . . A 73 ARG H . 17936 1 145 . 1 1 26 26 ARG HA H 1 4.490 0.050 . 1 . . . A 73 ARG HA . 17936 1 146 . 1 1 26 26 ARG HB2 H 1 1.640 0.050 . 2 . . . A 73 ARG HB2 . 17936 1 147 . 1 1 26 26 ARG HB3 H 1 1.691 0.050 . 2 . . . A 73 ARG HB3 . 17936 1 148 . 1 1 26 26 ARG HG2 H 1 1.363 0.050 . 2 . . . A 73 ARG HG2 . 17936 1 149 . 1 1 26 26 ARG HG3 H 1 1.405 0.050 . 2 . . . A 73 ARG HG3 . 17936 1 150 . 1 1 26 26 ARG HD2 H 1 3.116 0.050 . 2 . . . A 73 ARG HD2 . 17936 1 151 . 1 1 26 26 ARG HD3 H 1 3.432 0.050 . 2 . . . A 73 ARG HD3 . 17936 1 152 . 1 1 26 26 ARG HE H 1 8.305 0.050 . 1 . . . A 73 ARG HE . 17936 1 153 . 1 1 26 26 ARG CA C 13 53.213 0.200 . 1 . . . A 73 ARG CA . 17936 1 154 . 1 1 26 26 ARG CB C 13 32.939 0.200 . 1 . . . A 73 ARG CB . 17936 1 155 . 1 1 26 26 ARG CG C 13 26.761 0.200 . 1 . . . A 73 ARG CG . 17936 1 156 . 1 1 26 26 ARG CD C 13 42.324 0.200 . 1 . . . A 73 ARG CD . 17936 1 157 . 1 1 26 26 ARG N N 15 120.223 0.200 . 1 . . . A 73 ARG N . 17936 1 158 . 1 1 26 26 ARG NE N 15 84.560 0.200 . 1 . . . A 73 ARG NE . 17936 1 159 . 1 1 27 27 HIS H H 1 8.384 0.050 . 1 . . . A 74 HIS H . 17936 1 160 . 1 1 27 27 HIS HA H 1 4.698 0.050 . 1 . . . A 74 HIS HA . 17936 1 161 . 1 1 27 27 HIS HB2 H 1 3.067 0.050 . 1 . . . A 74 HIS HB2 . 17936 1 162 . 1 1 27 27 HIS HB3 H 1 3.067 0.050 . 1 . . . A 74 HIS HB3 . 17936 1 163 . 1 1 27 27 HIS HD2 H 1 7.108 0.050 . 1 . . . A 74 HIS HD2 . 17936 1 164 . 1 1 27 27 HIS HE1 H 1 8.066 0.050 . 1 . . . A 74 HIS HE1 . 17936 1 165 . 1 1 27 27 HIS CA C 13 55.596 0.200 . 1 . . . A 74 HIS CA . 17936 1 166 . 1 1 27 27 HIS CB C 13 30.711 0.200 . 1 . . . A 74 HIS CB . 17936 1 167 . 1 1 27 27 HIS CD2 C 13 119.920 0.200 . 1 . . . A 74 HIS CD2 . 17936 1 168 . 1 1 27 27 HIS CE1 C 13 137.609 0.200 . 1 . . . A 74 HIS CE1 . 17936 1 169 . 1 1 27 27 HIS N N 15 120.786 0.200 . 1 . . . A 74 HIS N . 17936 1 170 . 1 1 28 28 GLY H H 1 8.443 0.050 . 1 . . . A 75 GLY H . 17936 1 171 . 1 1 28 28 GLY HA2 H 1 3.686 0.050 . 2 . . . A 75 GLY HA2 . 17936 1 172 . 1 1 28 28 GLY HA3 H 1 3.771 0.050 . 2 . . . A 75 GLY HA3 . 17936 1 173 . 1 1 28 28 GLY CA C 13 46.436 0.200 . 1 . . . A 75 GLY CA . 17936 1 174 . 1 1 28 28 GLY N N 15 110.040 0.200 . 1 . . . A 75 GLY N . 17936 1 175 . 1 1 29 29 LEU H H 1 8.004 0.050 . 1 . . . A 76 LEU H . 17936 1 176 . 1 1 29 29 LEU HA H 1 4.167 0.050 . 1 . . . A 76 LEU HA . 17936 1 177 . 1 1 29 29 LEU HB2 H 1 0.797 0.050 . 2 . . . A 76 LEU HB2 . 17936 1 178 . 1 1 29 29 LEU HB3 H 1 1.591 0.050 . 2 . . . A 76 LEU HB3 . 17936 1 179 . 1 1 29 29 LEU HG H 1 0.708 0.050 . 1 . . . A 76 LEU HG . 17936 1 180 . 1 1 29 29 LEU CA C 13 55.160 0.200 . 1 . . . A 76 LEU CA . 17936 1 181 . 1 1 29 29 LEU CB C 13 41.859 0.200 . 1 . . . A 76 LEU CB . 17936 1 182 . 1 1 29 29 LEU CG C 13 26.823 0.200 . 1 . . . A 76 LEU CG . 17936 1 183 . 1 1 29 29 LEU N N 15 119.337 0.200 . 1 . . . A 76 LEU N . 17936 1 184 . 1 1 30 30 ILE H H 1 8.219 0.050 . 1 . . . A 77 ILE H . 17936 1 185 . 1 1 30 30 ILE HA H 1 4.211 0.050 . 1 . . . A 77 ILE HA . 17936 1 186 . 1 1 30 30 ILE HB H 1 1.649 0.050 . 1 . . . A 77 ILE HB . 17936 1 187 . 1 1 30 30 ILE HG12 H 1 1.082 0.050 . 2 . . . A 77 ILE HG12 . 17936 1 188 . 1 1 30 30 ILE HG13 H 1 1.460 0.050 . 2 . . . A 77 ILE HG13 . 17936 1 189 . 1 1 30 30 ILE HG21 H 1 0.746 0.050 . 1 . . . A 77 ILE HG21 . 17936 1 190 . 1 1 30 30 ILE HG22 H 1 0.746 0.050 . 1 . . . A 77 ILE HG22 . 17936 1 191 . 1 1 30 30 ILE HG23 H 1 0.746 0.050 . 1 . . . A 77 ILE HG23 . 17936 1 192 . 1 1 30 30 ILE HD11 H 1 0.739 0.050 . 1 . . . A 77 ILE HD11 . 17936 1 193 . 1 1 30 30 ILE HD12 H 1 0.739 0.050 . 1 . . . A 77 ILE HD12 . 17936 1 194 . 1 1 30 30 ILE HD13 H 1 0.739 0.050 . 1 . . . A 77 ILE HD13 . 17936 1 195 . 1 1 30 30 ILE CA C 13 59.758 0.200 . 1 . . . A 77 ILE CA . 17936 1 196 . 1 1 30 30 ILE CB C 13 39.896 0.200 . 1 . . . A 77 ILE CB . 17936 1 197 . 1 1 30 30 ILE CG1 C 13 26.869 0.200 . 1 . . . A 77 ILE CG1 . 17936 1 198 . 1 1 30 30 ILE CG2 C 13 17.363 0.200 . 1 . . . A 77 ILE CG2 . 17936 1 199 . 1 1 30 30 ILE CD1 C 13 12.272 0.200 . 1 . . . A 77 ILE CD1 . 17936 1 200 . 1 1 30 30 ILE N N 15 121.552 0.200 . 1 . . . A 77 ILE N . 17936 1 201 . 1 1 31 31 TYR H H 1 8.660 0.050 . 1 . . . A 78 TYR H . 17936 1 202 . 1 1 31 31 TYR HA H 1 5.079 0.050 . 1 . . . A 78 TYR HA . 17936 1 203 . 1 1 31 31 TYR HB2 H 1 2.452 0.050 . 2 . . . A 78 TYR HB2 . 17936 1 204 . 1 1 31 31 TYR HB3 H 1 2.806 0.050 . 2 . . . A 78 TYR HB3 . 17936 1 205 . 1 1 31 31 TYR HD1 H 1 6.818 0.050 . 1 . . . A 78 TYR HD1 . 17936 1 206 . 1 1 31 31 TYR HD2 H 1 6.818 0.050 . 1 . . . A 78 TYR HD2 . 17936 1 207 . 1 1 31 31 TYR HE1 H 1 6.573 0.050 . 1 . . . A 78 TYR HE1 . 17936 1 208 . 1 1 31 31 TYR HE2 H 1 6.573 0.050 . 1 . . . A 78 TYR HE2 . 17936 1 209 . 1 1 31 31 TYR CA C 13 56.890 0.200 . 1 . . . A 78 TYR CA . 17936 1 210 . 1 1 31 31 TYR CB C 13 38.574 0.200 . 1 . . . A 78 TYR CB . 17936 1 211 . 1 1 31 31 TYR CD1 C 13 132.886 0.200 . 1 . . . A 78 TYR CD1 . 17936 1 212 . 1 1 31 31 TYR CE1 C 13 117.391 0.200 . 1 . . . A 78 TYR CE1 . 17936 1 213 . 1 1 31 31 TYR N N 15 127.812 0.200 . 1 . . . A 78 TYR N . 17936 1 214 . 1 1 32 32 LYS H H 1 9.271 0.050 . 1 . . . A 79 LYS H . 17936 1 215 . 1 1 32 32 LYS HB2 H 1 1.574 0.050 . 2 . . . A 79 LYS HB2 . 17936 1 216 . 1 1 32 32 LYS HB3 H 1 1.730 0.050 . 2 . . . A 79 LYS HB3 . 17936 1 217 . 1 1 32 32 LYS HG2 H 1 1.015 0.050 . 2 . . . A 79 LYS HG2 . 17936 1 218 . 1 1 32 32 LYS HG3 H 1 1.222 0.050 . 2 . . . A 79 LYS HG3 . 17936 1 219 . 1 1 32 32 LYS HD2 H 1 1.494 0.050 . 1 . . . A 79 LYS HD2 . 17936 1 220 . 1 1 32 32 LYS HD3 H 1 1.494 0.050 . 1 . . . A 79 LYS HD3 . 17936 1 221 . 1 1 32 32 LYS HE2 H 1 2.809 0.050 . 1 . . . A 79 LYS HE2 . 17936 1 222 . 1 1 32 32 LYS HE3 H 1 2.809 0.050 . 1 . . . A 79 LYS HE3 . 17936 1 223 . 1 1 32 32 LYS CB C 13 35.505 0.200 . 1 . . . A 79 LYS CB . 17936 1 224 . 1 1 32 32 LYS CG C 13 25.201 0.200 . 1 . . . A 79 LYS CG . 17936 1 225 . 1 1 32 32 LYS CD C 13 29.375 0.200 . 1 . . . A 79 LYS CD . 17936 1 226 . 1 1 32 32 LYS CE C 13 42.114 0.200 . 1 . . . A 79 LYS CE . 17936 1 227 . 1 1 32 32 LYS N N 15 125.857 0.200 . 1 . . . A 79 LYS N . 17936 1 228 . 1 1 33 33 LEU H H 1 8.721 0.050 . 1 . . . A 80 LEU H . 17936 1 229 . 1 1 33 33 LEU HA H 1 4.441 0.050 . 1 . . . A 80 LEU HA . 17936 1 230 . 1 1 33 33 LEU HB2 H 1 1.326 0.050 . 2 . . . A 80 LEU HB2 . 17936 1 231 . 1 1 33 33 LEU HB3 H 1 1.955 0.050 . 2 . . . A 80 LEU HB3 . 17936 1 232 . 1 1 33 33 LEU HG H 1 1.446 0.050 . 1 . . . A 80 LEU HG . 17936 1 233 . 1 1 33 33 LEU HD11 H 1 0.964 0.050 . 2 . . . A 80 LEU HD11 . 17936 1 234 . 1 1 33 33 LEU HD12 H 1 0.964 0.050 . 2 . . . A 80 LEU HD12 . 17936 1 235 . 1 1 33 33 LEU HD13 H 1 0.964 0.050 . 2 . . . A 80 LEU HD13 . 17936 1 236 . 1 1 33 33 LEU HD21 H 1 1.075 0.050 . 2 . . . A 80 LEU HD21 . 17936 1 237 . 1 1 33 33 LEU HD22 H 1 1.075 0.050 . 2 . . . A 80 LEU HD22 . 17936 1 238 . 1 1 33 33 LEU HD23 H 1 1.075 0.050 . 2 . . . A 80 LEU HD23 . 17936 1 239 . 1 1 33 33 LEU CA C 13 55.114 0.200 . 1 . . . A 80 LEU CA . 17936 1 240 . 1 1 33 33 LEU CB C 13 41.248 0.200 . 1 . . . A 80 LEU CB . 17936 1 241 . 1 1 33 33 LEU CG C 13 27.470 0.200 . 1 . . . A 80 LEU CG . 17936 1 242 . 1 1 33 33 LEU CD1 C 13 26.216 0.200 . 1 . . . A 80 LEU CD1 . 17936 1 243 . 1 1 33 33 LEU CD2 C 13 24.638 0.200 . 1 . . . A 80 LEU CD2 . 17936 1 244 . 1 1 33 33 LEU N N 15 125.551 0.200 . 1 . . . A 80 LEU N . 17936 1 245 . 1 1 34 34 GLU H H 1 9.050 0.050 . 1 . . . A 81 GLU H . 17936 1 246 . 1 1 34 34 GLU HA H 1 4.251 0.050 . 1 . . . A 81 GLU HA . 17936 1 247 . 1 1 34 34 GLU HG2 H 1 2.040 0.050 . 2 . . . A 81 GLU HG2 . 17936 1 248 . 1 1 34 34 GLU HG3 H 1 2.235 0.050 . 2 . . . A 81 GLU HG3 . 17936 1 249 . 1 1 34 34 GLU CA C 13 57.379 0.200 . 1 . . . A 81 GLU CA . 17936 1 250 . 1 1 34 34 GLU CG C 13 34.121 0.200 . 1 . . . A 81 GLU CG . 17936 1 251 . 1 1 34 34 GLU N N 15 130.089 0.200 . 1 . . . A 81 GLU N . 17936 1 252 . 1 1 35 35 SER H H 1 7.612 0.050 . 1 . . . A 82 SER H . 17936 1 253 . 1 1 35 35 SER HA H 1 4.488 0.050 . 1 . . . A 82 SER HA . 17936 1 254 . 1 1 35 35 SER HB2 H 1 3.687 0.050 . 2 . . . A 82 SER HB2 . 17936 1 255 . 1 1 35 35 SER HB3 H 1 3.881 0.050 . 2 . . . A 82 SER HB3 . 17936 1 256 . 1 1 35 35 SER CA C 13 57.958 0.200 . 1 . . . A 82 SER CA . 17936 1 257 . 1 1 35 35 SER CB C 13 64.920 0.200 . 1 . . . A 82 SER CB . 17936 1 258 . 1 1 35 35 SER N N 15 107.868 0.200 . 1 . . . A 82 SER N . 17936 1 259 . 1 1 36 36 GLN HA H 1 4.868 0.050 . 1 . . . A 83 GLN HA . 17936 1 260 . 1 1 36 36 GLN HB2 H 1 1.729 0.050 . 2 . . . A 83 GLN HB2 . 17936 1 261 . 1 1 36 36 GLN HB3 H 1 1.812 0.050 . 2 . . . A 83 GLN HB3 . 17936 1 262 . 1 1 36 36 GLN HG2 H 1 1.510 0.050 . 2 . . . A 83 GLN HG2 . 17936 1 263 . 1 1 36 36 GLN HG3 H 1 1.736 0.050 . 2 . . . A 83 GLN HG3 . 17936 1 264 . 1 1 36 36 GLN HE21 H 1 6.669 0.050 . 2 . . . A 83 GLN HE21 . 17936 1 265 . 1 1 36 36 GLN HE22 H 1 7.045 0.050 . 2 . . . A 83 GLN HE22 . 17936 1 266 . 1 1 36 36 GLN CA C 13 55.060 0.200 . 1 . . . A 83 GLN CA . 17936 1 267 . 1 1 36 36 GLN CB C 13 30.969 0.200 . 1 . . . A 83 GLN CB . 17936 1 268 . 1 1 36 36 GLN CG C 13 33.208 0.200 . 1 . . . A 83 GLN CG . 17936 1 269 . 1 1 36 36 GLN NE2 N 15 111.132 0.200 . 1 . . . A 83 GLN NE2 . 17936 1 270 . 1 1 37 37 THR H H 1 8.478 0.050 . 1 . . . A 84 THR H . 17936 1 271 . 1 1 37 37 THR HA H 1 4.667 0.050 . 1 . . . A 84 THR HA . 17936 1 272 . 1 1 37 37 THR HB H 1 4.204 0.050 . 1 . . . A 84 THR HB . 17936 1 273 . 1 1 37 37 THR HG21 H 1 1.041 0.050 . 1 . . . A 84 THR HG21 . 17936 1 274 . 1 1 37 37 THR HG22 H 1 1.041 0.050 . 1 . . . A 84 THR HG22 . 17936 1 275 . 1 1 37 37 THR HG23 H 1 1.041 0.050 . 1 . . . A 84 THR HG23 . 17936 1 276 . 1 1 37 37 THR CA C 13 59.866 0.200 . 1 . . . A 84 THR CA . 17936 1 277 . 1 1 37 37 THR CB C 13 71.445 0.200 . 1 . . . A 84 THR CB . 17936 1 278 . 1 1 37 37 THR CG2 C 13 21.175 0.200 . 1 . . . A 84 THR CG2 . 17936 1 279 . 1 1 37 37 THR N N 15 116.989 0.200 . 1 . . . A 84 THR N . 17936 1 280 . 1 1 38 38 GLY H H 1 8.222 0.050 . 1 . . . A 85 GLY H . 17936 1 281 . 1 1 38 38 GLY HA2 H 1 3.730 0.050 . 2 . . . A 85 GLY HA2 . 17936 1 282 . 1 1 38 38 GLY HA3 H 1 4.335 0.050 . 2 . . . A 85 GLY HA3 . 17936 1 283 . 1 1 38 38 GLY CA C 13 43.945 0.200 . 1 . . . A 85 GLY CA . 17936 1 284 . 1 1 38 38 GLY N N 15 107.727 0.200 . 1 . . . A 85 GLY N . 17936 1 285 . 1 1 39 39 PRO HA H 1 4.396 0.050 . 1 . . . A 86 PRO HA . 17936 1 286 . 1 1 39 39 PRO HB2 H 1 2.147 0.050 . 2 . . . A 86 PRO HB2 . 17936 1 287 . 1 1 39 39 PRO HB3 H 1 1.583 0.050 . 2 . . . A 86 PRO HB3 . 17936 1 288 . 1 1 39 39 PRO HG2 H 1 1.363 0.050 . 2 . . . A 86 PRO HG2 . 17936 1 289 . 1 1 39 39 PRO HG3 H 1 1.837 0.050 . 2 . . . A 86 PRO HG3 . 17936 1 290 . 1 1 39 39 PRO HD2 H 1 3.390 0.050 . 2 . . . A 86 PRO HD2 . 17936 1 291 . 1 1 39 39 PRO HD3 H 1 3.452 0.050 . 2 . . . A 86 PRO HD3 . 17936 1 292 . 1 1 39 39 PRO CA C 13 62.094 0.200 . 1 . . . A 86 PRO CA . 17936 1 293 . 1 1 39 39 PRO CB C 13 32.248 0.200 . 1 . . . A 86 PRO CB . 17936 1 294 . 1 1 39 39 PRO CG C 13 26.912 0.200 . 1 . . . A 86 PRO CG . 17936 1 295 . 1 1 39 39 PRO CD C 13 48.768 0.200 . 1 . . . A 86 PRO CD . 17936 1 296 . 1 1 40 40 VAL HA H 1 3.575 0.050 . 1 . . . A 87 VAL HA . 17936 1 297 . 1 1 40 40 VAL HB H 1 2.006 0.050 . 1 . . . A 87 VAL HB . 17936 1 298 . 1 1 40 40 VAL HG11 H 1 0.875 0.050 . 2 . . . A 87 VAL HG11 . 17936 1 299 . 1 1 40 40 VAL HG12 H 1 0.875 0.050 . 2 . . . A 87 VAL HG12 . 17936 1 300 . 1 1 40 40 VAL HG13 H 1 0.875 0.050 . 2 . . . A 87 VAL HG13 . 17936 1 301 . 1 1 40 40 VAL HG21 H 1 0.934 0.050 . 2 . . . A 87 VAL HG21 . 17936 1 302 . 1 1 40 40 VAL HG22 H 1 0.934 0.050 . 2 . . . A 87 VAL HG22 . 17936 1 303 . 1 1 40 40 VAL HG23 H 1 0.934 0.050 . 2 . . . A 87 VAL HG23 . 17936 1 304 . 1 1 40 40 VAL CA C 13 65.301 0.200 . 1 . . . A 87 VAL CA . 17936 1 305 . 1 1 40 40 VAL CB C 13 31.626 0.200 . 1 . . . A 87 VAL CB . 17936 1 306 . 1 1 40 40 VAL CG1 C 13 20.594 0.200 . 1 . . . A 87 VAL CG1 . 17936 1 307 . 1 1 40 40 VAL CG2 C 13 21.018 0.200 . 1 . . . A 87 VAL CG2 . 17936 1 308 . 1 1 41 41 HIS H H 1 8.350 0.050 . 1 . . . A 88 HIS H . 17936 1 309 . 1 1 41 41 HIS HA H 1 4.546 0.050 . 1 . . . A 88 HIS HA . 17936 1 310 . 1 1 41 41 HIS HB2 H 1 2.942 0.050 . 2 . . . A 88 HIS HB2 . 17936 1 311 . 1 1 41 41 HIS HB3 H 1 3.234 0.050 . 2 . . . A 88 HIS HB3 . 17936 1 312 . 1 1 41 41 HIS HD2 H 1 6.904 0.050 . 1 . . . A 88 HIS HD2 . 17936 1 313 . 1 1 41 41 HIS HE1 H 1 7.706 0.050 . 1 . . . A 88 HIS HE1 . 17936 1 314 . 1 1 41 41 HIS CA C 13 56.088 0.200 . 1 . . . A 88 HIS CA . 17936 1 315 . 1 1 41 41 HIS CB C 13 30.488 0.200 . 1 . . . A 88 HIS CB . 17936 1 316 . 1 1 41 41 HIS CD2 C 13 118.719 0.200 . 1 . . . A 88 HIS CD2 . 17936 1 317 . 1 1 41 41 HIS CE1 C 13 139.282 0.200 . 1 . . . A 88 HIS CE1 . 17936 1 318 . 1 1 41 41 HIS N N 15 121.893 0.200 . 1 . . . A 88 HIS N . 17936 1 319 . 1 1 42 42 ALA H H 1 7.248 0.050 . 1 . . . A 89 ALA H . 17936 1 320 . 1 1 42 42 ALA HA H 1 4.513 0.050 . 1 . . . A 89 ALA HA . 17936 1 321 . 1 1 42 42 ALA HB1 H 1 0.926 0.050 . 1 . . . A 89 ALA HB1 . 17936 1 322 . 1 1 42 42 ALA HB2 H 1 0.926 0.050 . 1 . . . A 89 ALA HB2 . 17936 1 323 . 1 1 42 42 ALA HB3 H 1 0.926 0.050 . 1 . . . A 89 ALA HB3 . 17936 1 324 . 1 1 42 42 ALA CA C 13 50.759 0.200 . 1 . . . A 89 ALA CA . 17936 1 325 . 1 1 42 42 ALA CB C 13 18.473 0.200 . 1 . . . A 89 ALA CB . 17936 1 326 . 1 1 42 42 ALA N N 15 124.247 0.200 . 1 . . . A 89 ALA N . 17936 1 327 . 1 1 43 43 PRO HA H 1 4.316 0.050 . 1 . . . A 90 PRO HA . 17936 1 328 . 1 1 43 43 PRO HB2 H 1 1.748 0.050 . 2 . . . A 90 PRO HB2 . 17936 1 329 . 1 1 43 43 PRO HB3 H 1 1.001 0.050 . 2 . . . A 90 PRO HB3 . 17936 1 330 . 1 1 43 43 PRO HG2 H 1 1.820 0.050 . 2 . . . A 90 PRO HG2 . 17936 1 331 . 1 1 43 43 PRO HG3 H 1 1.887 0.050 . 2 . . . A 90 PRO HG3 . 17936 1 332 . 1 1 43 43 PRO HD2 H 1 3.366 0.050 . 1 . . . A 90 PRO HD2 . 17936 1 333 . 1 1 43 43 PRO HD3 H 1 3.366 0.050 . 1 . . . A 90 PRO HD3 . 17936 1 334 . 1 1 43 43 PRO CA C 13 62.981 0.200 . 1 . . . A 90 PRO CA . 17936 1 335 . 1 1 43 43 PRO CB C 13 32.934 0.200 . 1 . . . A 90 PRO CB . 17936 1 336 . 1 1 43 43 PRO CG C 13 26.938 0.200 . 1 . . . A 90 PRO CG . 17936 1 337 . 1 1 43 43 PRO CD C 13 49.632 0.200 . 1 . . . A 90 PRO CD . 17936 1 338 . 1 1 44 44 LEU H H 1 8.351 0.050 . 1 . . . A 91 LEU H . 17936 1 339 . 1 1 44 44 LEU HA H 1 4.394 0.050 . 1 . . . A 91 LEU HA . 17936 1 340 . 1 1 44 44 LEU HB2 H 1 1.045 0.050 . 2 . . . A 91 LEU HB2 . 17936 1 341 . 1 1 44 44 LEU HB3 H 1 1.494 0.050 . 2 . . . A 91 LEU HB3 . 17936 1 342 . 1 1 44 44 LEU HG H 1 1.147 0.050 . 1 . . . A 91 LEU HG . 17936 1 343 . 1 1 44 44 LEU HD11 H 1 0.581 0.050 . 2 . . . A 91 LEU HD11 . 17936 1 344 . 1 1 44 44 LEU HD12 H 1 0.581 0.050 . 2 . . . A 91 LEU HD12 . 17936 1 345 . 1 1 44 44 LEU HD13 H 1 0.581 0.050 . 2 . . . A 91 LEU HD13 . 17936 1 346 . 1 1 44 44 LEU HD21 H 1 0.660 0.050 . 2 . . . A 91 LEU HD21 . 17936 1 347 . 1 1 44 44 LEU HD22 H 1 0.660 0.050 . 2 . . . A 91 LEU HD22 . 17936 1 348 . 1 1 44 44 LEU HD23 H 1 0.660 0.050 . 2 . . . A 91 LEU HD23 . 17936 1 349 . 1 1 44 44 LEU CA C 13 53.586 0.200 . 1 . . . A 91 LEU CA . 17936 1 350 . 1 1 44 44 LEU CB C 13 44.063 0.200 . 1 . . . A 91 LEU CB . 17936 1 351 . 1 1 44 44 LEU CG C 13 27.033 0.200 . 1 . . . A 91 LEU CG . 17936 1 352 . 1 1 44 44 LEU CD1 C 13 25.094 0.200 . 1 . . . A 91 LEU CD1 . 17936 1 353 . 1 1 44 44 LEU CD2 C 13 23.639 0.200 . 1 . . . A 91 LEU CD2 . 17936 1 354 . 1 1 44 44 LEU N N 15 119.038 0.200 . 1 . . . A 91 LEU N . 17936 1 355 . 1 1 45 45 PHE H H 1 9.079 0.050 . 1 . . . A 92 PHE H . 17936 1 356 . 1 1 45 45 PHE HA H 1 4.876 0.050 . 1 . . . A 92 PHE HA . 17936 1 357 . 1 1 45 45 PHE HB2 H 1 2.668 0.050 . 2 . . . A 92 PHE HB2 . 17936 1 358 . 1 1 45 45 PHE HB3 H 1 2.561 0.050 . 2 . . . A 92 PHE HB3 . 17936 1 359 . 1 1 45 45 PHE HD1 H 1 6.971 0.050 . 1 . . . A 92 PHE HD1 . 17936 1 360 . 1 1 45 45 PHE HD2 H 1 6.971 0.050 . 1 . . . A 92 PHE HD2 . 17936 1 361 . 1 1 45 45 PHE HE1 H 1 7.252 0.050 . 1 . . . A 92 PHE HE1 . 17936 1 362 . 1 1 45 45 PHE HE2 H 1 7.252 0.050 . 1 . . . A 92 PHE HE2 . 17936 1 363 . 1 1 45 45 PHE HZ H 1 7.250 0.050 . 1 . . . A 92 PHE HZ . 17936 1 364 . 1 1 45 45 PHE CA C 13 57.788 0.200 . 1 . . . A 92 PHE CA . 17936 1 365 . 1 1 45 45 PHE CB C 13 40.971 0.200 . 1 . . . A 92 PHE CB . 17936 1 366 . 1 1 45 45 PHE CD1 C 13 131.145 0.200 . 1 . . . A 92 PHE CD1 . 17936 1 367 . 1 1 45 45 PHE CE1 C 13 131.579 0.200 . 1 . . . A 92 PHE CE1 . 17936 1 368 . 1 1 45 45 PHE CZ C 13 130.246 0.200 . 1 . . . A 92 PHE CZ . 17936 1 369 . 1 1 45 45 PHE N N 15 126.372 0.200 . 1 . . . A 92 PHE N . 17936 1 370 . 1 1 46 46 THR H H 1 8.607 0.050 . 1 . . . A 93 THR H . 17936 1 371 . 1 1 46 46 THR HA H 1 5.264 0.050 . 1 . . . A 93 THR HA . 17936 1 372 . 1 1 46 46 THR HB H 1 4.062 0.050 . 1 . . . A 93 THR HB . 17936 1 373 . 1 1 46 46 THR HG21 H 1 1.092 0.050 . 1 . . . A 93 THR HG21 . 17936 1 374 . 1 1 46 46 THR HG22 H 1 1.092 0.050 . 1 . . . A 93 THR HG22 . 17936 1 375 . 1 1 46 46 THR HG23 H 1 1.092 0.050 . 1 . . . A 93 THR HG23 . 17936 1 376 . 1 1 46 46 THR CA C 13 62.174 0.200 . 1 . . . A 93 THR CA . 17936 1 377 . 1 1 46 46 THR CB C 13 69.926 0.200 . 1 . . . A 93 THR CB . 17936 1 378 . 1 1 46 46 THR CG2 C 13 21.631 0.200 . 1 . . . A 93 THR CG2 . 17936 1 379 . 1 1 46 46 THR N N 15 117.069 0.200 . 1 . . . A 93 THR N . 17936 1 380 . 1 1 47 47 ILE H H 1 9.322 0.050 . 1 . . . A 94 ILE H . 17936 1 381 . 1 1 47 47 ILE HA H 1 5.190 0.050 . 1 . . . A 94 ILE HA . 17936 1 382 . 1 1 47 47 ILE HB H 1 1.472 0.050 . 1 . . . A 94 ILE HB . 17936 1 383 . 1 1 47 47 ILE HG12 H 1 1.433 0.050 . 2 . . . A 94 ILE HG12 . 17936 1 384 . 1 1 47 47 ILE HG13 H 1 1.231 0.050 . 2 . . . A 94 ILE HG13 . 17936 1 385 . 1 1 47 47 ILE HG21 H 1 0.903 0.050 . 1 . . . A 94 ILE HG21 . 17936 1 386 . 1 1 47 47 ILE HG22 H 1 0.903 0.050 . 1 . . . A 94 ILE HG22 . 17936 1 387 . 1 1 47 47 ILE HG23 H 1 0.903 0.050 . 1 . . . A 94 ILE HG23 . 17936 1 388 . 1 1 47 47 ILE HD11 H 1 0.762 0.050 . 1 . . . A 94 ILE HD11 . 17936 1 389 . 1 1 47 47 ILE HD12 H 1 0.762 0.050 . 1 . . . A 94 ILE HD12 . 17936 1 390 . 1 1 47 47 ILE HD13 H 1 0.762 0.050 . 1 . . . A 94 ILE HD13 . 17936 1 391 . 1 1 47 47 ILE CA C 13 57.756 0.200 . 1 . . . A 94 ILE CA . 17936 1 392 . 1 1 47 47 ILE CB C 13 40.495 0.200 . 1 . . . A 94 ILE CB . 17936 1 393 . 1 1 47 47 ILE CG1 C 13 28.788 0.200 . 1 . . . A 94 ILE CG1 . 17936 1 394 . 1 1 47 47 ILE CG2 C 13 18.536 0.200 . 1 . . . A 94 ILE CG2 . 17936 1 395 . 1 1 47 47 ILE CD1 C 13 12.454 0.200 . 1 . . . A 94 ILE CD1 . 17936 1 396 . 1 1 47 47 ILE N N 15 130.160 0.200 . 1 . . . A 94 ILE N . 17936 1 397 . 1 1 48 48 SER H H 1 9.673 0.050 . 1 . . . A 95 SER H . 17936 1 398 . 1 1 48 48 SER HA H 1 5.880 0.050 . 1 . . . A 95 SER HA . 17936 1 399 . 1 1 48 48 SER HB2 H 1 3.587 0.050 . 1 . . . A 95 SER HB2 . 17936 1 400 . 1 1 48 48 SER HB3 H 1 3.587 0.050 . 1 . . . A 95 SER HB3 . 17936 1 401 . 1 1 48 48 SER CA C 13 54.841 0.200 . 1 . . . A 95 SER CA . 17936 1 402 . 1 1 48 48 SER CB C 13 67.727 0.200 . 1 . . . A 95 SER CB . 17936 1 403 . 1 1 48 48 SER N N 15 119.865 0.200 . 1 . . . A 95 SER N . 17936 1 404 . 1 1 49 49 VAL H H 1 8.877 0.050 . 1 . . . A 96 VAL H . 17936 1 405 . 1 1 49 49 VAL HA H 1 4.568 0.050 . 1 . . . A 96 VAL HA . 17936 1 406 . 1 1 49 49 VAL HB H 1 1.439 0.050 . 1 . . . A 96 VAL HB . 17936 1 407 . 1 1 49 49 VAL HG11 H 1 0.176 0.050 . 2 . . . A 96 VAL HG11 . 17936 1 408 . 1 1 49 49 VAL HG12 H 1 0.176 0.050 . 2 . . . A 96 VAL HG12 . 17936 1 409 . 1 1 49 49 VAL HG13 H 1 0.176 0.050 . 2 . . . A 96 VAL HG13 . 17936 1 410 . 1 1 49 49 VAL HG21 H 1 0.626 0.050 . 2 . . . A 96 VAL HG21 . 17936 1 411 . 1 1 49 49 VAL HG22 H 1 0.626 0.050 . 2 . . . A 96 VAL HG22 . 17936 1 412 . 1 1 49 49 VAL HG23 H 1 0.626 0.050 . 2 . . . A 96 VAL HG23 . 17936 1 413 . 1 1 49 49 VAL CA C 13 59.809 0.200 . 1 . . . A 96 VAL CA . 17936 1 414 . 1 1 49 49 VAL CB C 13 35.493 0.200 . 1 . . . A 96 VAL CB . 17936 1 415 . 1 1 49 49 VAL CG1 C 13 21.631 0.200 . 1 . . . A 96 VAL CG1 . 17936 1 416 . 1 1 49 49 VAL CG2 C 13 18.899 0.200 . 1 . . . A 96 VAL CG2 . 17936 1 417 . 1 1 49 49 VAL N N 15 118.215 0.200 . 1 . . . A 96 VAL N . 17936 1 418 . 1 1 50 50 GLU H H 1 7.845 0.050 . 1 . . . A 97 GLU H . 17936 1 419 . 1 1 50 50 GLU HA H 1 5.192 0.050 . 1 . . . A 97 GLU HA . 17936 1 420 . 1 1 50 50 GLU HB2 H 1 1.705 0.050 . 2 . . . A 97 GLU HB2 . 17936 1 421 . 1 1 50 50 GLU HB3 H 1 1.821 0.050 . 2 . . . A 97 GLU HB3 . 17936 1 422 . 1 1 50 50 GLU HG2 H 1 1.700 0.050 . 2 . . . A 97 GLU HG2 . 17936 1 423 . 1 1 50 50 GLU HG3 H 1 1.827 0.050 . 2 . . . A 97 GLU HG3 . 17936 1 424 . 1 1 50 50 GLU CA C 13 54.513 0.200 . 1 . . . A 97 GLU CA . 17936 1 425 . 1 1 50 50 GLU CB C 13 31.012 0.200 . 1 . . . A 97 GLU CB . 17936 1 426 . 1 1 50 50 GLU CG C 13 36.627 0.200 . 1 . . . A 97 GLU CG . 17936 1 427 . 1 1 50 50 GLU N N 15 128.740 0.200 . 1 . . . A 97 GLU N . 17936 1 428 . 1 1 51 51 VAL H H 1 8.995 0.050 . 1 . . . A 98 VAL H . 17936 1 429 . 1 1 51 51 VAL HA H 1 4.208 0.050 . 1 . . . A 98 VAL HA . 17936 1 430 . 1 1 51 51 VAL HB H 1 2.157 0.050 . 1 . . . A 98 VAL HB . 17936 1 431 . 1 1 51 51 VAL HG11 H 1 0.860 0.050 . 2 . . . A 98 VAL HG11 . 17936 1 432 . 1 1 51 51 VAL HG12 H 1 0.860 0.050 . 2 . . . A 98 VAL HG12 . 17936 1 433 . 1 1 51 51 VAL HG13 H 1 0.860 0.050 . 2 . . . A 98 VAL HG13 . 17936 1 434 . 1 1 51 51 VAL HG21 H 1 0.753 0.050 . 2 . . . A 98 VAL HG21 . 17936 1 435 . 1 1 51 51 VAL HG22 H 1 0.753 0.050 . 2 . . . A 98 VAL HG22 . 17936 1 436 . 1 1 51 51 VAL HG23 H 1 0.753 0.050 . 2 . . . A 98 VAL HG23 . 17936 1 437 . 1 1 51 51 VAL CA C 13 61.218 0.200 . 1 . . . A 98 VAL CA . 17936 1 438 . 1 1 51 51 VAL CB C 13 34.395 0.200 . 1 . . . A 98 VAL CB . 17936 1 439 . 1 1 51 51 VAL CG1 C 13 22.126 0.200 . 1 . . . A 98 VAL CG1 . 17936 1 440 . 1 1 51 51 VAL CG2 C 13 22.797 0.200 . 1 . . . A 98 VAL CG2 . 17936 1 441 . 1 1 51 51 VAL N N 15 125.354 0.200 . 1 . . . A 98 VAL N . 17936 1 442 . 1 1 52 52 ASP H H 1 9.451 0.050 . 1 . . . A 99 ASP H . 17936 1 443 . 1 1 52 52 ASP HA H 1 4.228 0.050 . 1 . . . A 99 ASP HA . 17936 1 444 . 1 1 52 52 ASP HB2 H 1 2.695 0.050 . 2 . . . A 99 ASP HB2 . 17936 1 445 . 1 1 52 52 ASP HB3 H 1 2.895 0.050 . 2 . . . A 99 ASP HB3 . 17936 1 446 . 1 1 52 52 ASP CA C 13 55.141 0.200 . 1 . . . A 99 ASP CA . 17936 1 447 . 1 1 52 52 ASP CB C 13 39.108 0.200 . 1 . . . A 99 ASP CB . 17936 1 448 . 1 1 52 52 ASP N N 15 129.856 0.200 . 1 . . . A 99 ASP N . 17936 1 449 . 1 1 53 53 GLY H H 1 8.645 0.050 . 1 . . . A 100 GLY H . 17936 1 450 . 1 1 53 53 GLY HA2 H 1 3.541 0.050 . 2 . . . A 100 GLY HA2 . 17936 1 451 . 1 1 53 53 GLY HA3 H 1 4.042 0.050 . 2 . . . A 100 GLY HA3 . 17936 1 452 . 1 1 53 53 GLY CA C 13 45.400 0.200 . 1 . . . A 100 GLY CA . 17936 1 453 . 1 1 53 53 GLY N N 15 103.064 0.200 . 1 . . . A 100 GLY N . 17936 1 454 . 1 1 54 54 GLN H H 1 7.647 0.050 . 1 . . . A 101 GLN H . 17936 1 455 . 1 1 54 54 GLN HA H 1 4.412 0.050 . 1 . . . A 101 GLN HA . 17936 1 456 . 1 1 54 54 GLN HB2 H 1 1.652 0.050 . 2 . . . A 101 GLN HB2 . 17936 1 457 . 1 1 54 54 GLN HB3 H 1 1.819 0.050 . 2 . . . A 101 GLN HB3 . 17936 1 458 . 1 1 54 54 GLN HG2 H 1 1.953 0.050 . 2 . . . A 101 GLN HG2 . 17936 1 459 . 1 1 54 54 GLN HG3 H 1 2.020 0.050 . 2 . . . A 101 GLN HG3 . 17936 1 460 . 1 1 54 54 GLN HE21 H 1 7.385 0.050 . 2 . . . A 101 GLN HE21 . 17936 1 461 . 1 1 54 54 GLN HE22 H 1 6.694 0.050 . 2 . . . A 101 GLN HE22 . 17936 1 462 . 1 1 54 54 GLN CA C 13 53.539 0.200 . 1 . . . A 101 GLN CA . 17936 1 463 . 1 1 54 54 GLN CB C 13 31.147 0.200 . 1 . . . A 101 GLN CB . 17936 1 464 . 1 1 54 54 GLN CG C 13 33.343 0.200 . 1 . . . A 101 GLN CG . 17936 1 465 . 1 1 54 54 GLN N N 15 119.911 0.200 . 1 . . . A 101 GLN N . 17936 1 466 . 1 1 54 54 GLN NE2 N 15 112.821 0.200 . 1 . . . A 101 GLN NE2 . 17936 1 467 . 1 1 55 55 LYS H H 1 8.211 0.050 . 1 . . . A 102 LYS H . 17936 1 468 . 1 1 55 55 LYS HA H 1 4.456 0.050 . 1 . . . A 102 LYS HA . 17936 1 469 . 1 1 55 55 LYS HB2 H 1 1.375 0.050 . 2 . . . A 102 LYS HB2 . 17936 1 470 . 1 1 55 55 LYS HB3 H 1 1.500 0.050 . 2 . . . A 102 LYS HB3 . 17936 1 471 . 1 1 55 55 LYS HG2 H 1 1.008 0.050 . 2 . . . A 102 LYS HG2 . 17936 1 472 . 1 1 55 55 LYS HG3 H 1 1.247 0.050 . 2 . . . A 102 LYS HG3 . 17936 1 473 . 1 1 55 55 LYS HD2 H 1 1.452 0.050 . 2 . . . A 102 LYS HD2 . 17936 1 474 . 1 1 55 55 LYS HD3 H 1 1.497 0.050 . 2 . . . A 102 LYS HD3 . 17936 1 475 . 1 1 55 55 LYS HE2 H 1 2.689 0.050 . 2 . . . A 102 LYS HE2 . 17936 1 476 . 1 1 55 55 LYS HE3 H 1 2.742 0.050 . 2 . . . A 102 LYS HE3 . 17936 1 477 . 1 1 55 55 LYS CA C 13 56.222 0.200 . 1 . . . A 102 LYS CA . 17936 1 478 . 1 1 55 55 LYS CB C 13 34.054 0.200 . 1 . . . A 102 LYS CB . 17936 1 479 . 1 1 55 55 LYS CG C 13 26.045 0.200 . 1 . . . A 102 LYS CG . 17936 1 480 . 1 1 55 55 LYS CD C 13 29.347 0.200 . 1 . . . A 102 LYS CD . 17936 1 481 . 1 1 55 55 LYS CE C 13 41.816 0.200 . 1 . . . A 102 LYS CE . 17936 1 482 . 1 1 55 55 LYS N N 15 122.685 0.200 . 1 . . . A 102 LYS N . 17936 1 483 . 1 1 56 56 TYR H H 1 8.806 0.050 . 1 . . . A 103 TYR H . 17936 1 484 . 1 1 56 56 TYR HA H 1 4.625 0.050 . 1 . . . A 103 TYR HA . 17936 1 485 . 1 1 56 56 TYR HB2 H 1 2.699 0.050 . 2 . . . A 103 TYR HB2 . 17936 1 486 . 1 1 56 56 TYR HB3 H 1 2.779 0.050 . 2 . . . A 103 TYR HB3 . 17936 1 487 . 1 1 56 56 TYR HD1 H 1 6.988 0.050 . 1 . . . A 103 TYR HD1 . 17936 1 488 . 1 1 56 56 TYR HD2 H 1 6.988 0.050 . 1 . . . A 103 TYR HD2 . 17936 1 489 . 1 1 56 56 TYR HE1 H 1 6.729 0.050 . 1 . . . A 103 TYR HE1 . 17936 1 490 . 1 1 56 56 TYR HE2 H 1 6.729 0.050 . 1 . . . A 103 TYR HE2 . 17936 1 491 . 1 1 56 56 TYR CA C 13 57.718 0.200 . 1 . . . A 103 TYR CA . 17936 1 492 . 1 1 56 56 TYR CB C 13 40.248 0.200 . 1 . . . A 103 TYR CB . 17936 1 493 . 1 1 56 56 TYR CD2 C 13 133.329 0.200 . 1 . . . A 103 TYR CD2 . 17936 1 494 . 1 1 56 56 TYR CE2 C 13 117.979 0.200 . 1 . . . A 103 TYR CE2 . 17936 1 495 . 1 1 56 56 TYR N N 15 125.300 0.200 . 1 . . . A 103 TYR N . 17936 1 496 . 1 1 57 57 LEU H H 1 8.521 0.050 . 1 . . . A 104 LEU H . 17936 1 497 . 1 1 57 57 LEU HA H 1 5.330 0.050 . 1 . . . A 104 LEU HA . 17936 1 498 . 1 1 57 57 LEU HB2 H 1 1.254 0.050 . 2 . . . A 104 LEU HB2 . 17936 1 499 . 1 1 57 57 LEU HB3 H 1 1.645 0.050 . 2 . . . A 104 LEU HB3 . 17936 1 500 . 1 1 57 57 LEU HG H 1 1.471 0.050 . 1 . . . A 104 LEU HG . 17936 1 501 . 1 1 57 57 LEU HD11 H 1 0.643 0.050 . 2 . . . A 104 LEU HD11 . 17936 1 502 . 1 1 57 57 LEU HD12 H 1 0.643 0.050 . 2 . . . A 104 LEU HD12 . 17936 1 503 . 1 1 57 57 LEU HD13 H 1 0.643 0.050 . 2 . . . A 104 LEU HD13 . 17936 1 504 . 1 1 57 57 LEU HD21 H 1 0.726 0.050 . 2 . . . A 104 LEU HD21 . 17936 1 505 . 1 1 57 57 LEU HD22 H 1 0.726 0.050 . 2 . . . A 104 LEU HD22 . 17936 1 506 . 1 1 57 57 LEU HD23 H 1 0.726 0.050 . 2 . . . A 104 LEU HD23 . 17936 1 507 . 1 1 57 57 LEU CA C 13 54.086 0.200 . 1 . . . A 104 LEU CA . 17936 1 508 . 1 1 57 57 LEU CB C 13 45.352 0.200 . 1 . . . A 104 LEU CB . 17936 1 509 . 1 1 57 57 LEU CG C 13 27.959 0.200 . 1 . . . A 104 LEU CG . 17936 1 510 . 1 1 57 57 LEU CD1 C 13 24.337 0.200 . 1 . . . A 104 LEU CD1 . 17936 1 511 . 1 1 57 57 LEU CD2 C 13 25.074 0.200 . 1 . . . A 104 LEU CD2 . 17936 1 512 . 1 1 57 57 LEU N N 15 121.590 0.200 . 1 . . . A 104 LEU N . 17936 1 513 . 1 1 58 58 GLY H H 1 9.071 0.050 . 1 . . . A 105 GLY H . 17936 1 514 . 1 1 58 58 GLY HA2 H 1 3.808 0.050 . 2 . . . A 105 GLY HA2 . 17936 1 515 . 1 1 58 58 GLY HA3 H 1 4.459 0.050 . 2 . . . A 105 GLY HA3 . 17936 1 516 . 1 1 58 58 GLY CA C 13 44.243 0.200 . 1 . . . A 105 GLY CA . 17936 1 517 . 1 1 58 58 GLY N N 15 107.496 0.200 . 1 . . . A 105 GLY N . 17936 1 518 . 1 1 59 59 GLN H H 1 8.423 0.050 . 1 . . . A 106 GLN H . 17936 1 519 . 1 1 59 59 GLN HA H 1 6.052 0.050 . 1 . . . A 106 GLN HA . 17936 1 520 . 1 1 59 59 GLN HB2 H 1 1.865 0.050 . 1 . . . A 106 GLN HB2 . 17936 1 521 . 1 1 59 59 GLN HB3 H 1 1.865 0.050 . 1 . . . A 106 GLN HB3 . 17936 1 522 . 1 1 59 59 GLN HG2 H 1 2.159 0.050 . 2 . . . A 106 GLN HG2 . 17936 1 523 . 1 1 59 59 GLN HG3 H 1 2.442 0.050 . 2 . . . A 106 GLN HG3 . 17936 1 524 . 1 1 59 59 GLN HE21 H 1 6.713 0.050 . 2 . . . A 106 GLN HE21 . 17936 1 525 . 1 1 59 59 GLN HE22 H 1 7.346 0.050 . 2 . . . A 106 GLN HE22 . 17936 1 526 . 1 1 59 59 GLN CA C 13 53.454 0.200 . 1 . . . A 106 GLN CA . 17936 1 527 . 1 1 59 59 GLN CB C 13 33.812 0.200 . 1 . . . A 106 GLN CB . 17936 1 528 . 1 1 59 59 GLN CG C 13 34.250 0.200 . 1 . . . A 106 GLN CG . 17936 1 529 . 1 1 59 59 GLN N N 15 118.792 0.200 . 1 . . . A 106 GLN N . 17936 1 530 . 1 1 59 59 GLN NE2 N 15 112.317 0.200 . 1 . . . A 106 GLN NE2 . 17936 1 531 . 1 1 60 60 GLY H H 1 8.378 0.050 . 1 . . . A 107 GLY H . 17936 1 532 . 1 1 60 60 GLY HA2 H 1 4.013 0.050 . 2 . . . A 107 GLY HA2 . 17936 1 533 . 1 1 60 60 GLY HA3 H 1 4.312 0.050 . 2 . . . A 107 GLY HA3 . 17936 1 534 . 1 1 60 60 GLY CA C 13 45.456 0.200 . 1 . . . A 107 GLY CA . 17936 1 535 . 1 1 60 60 GLY N N 15 103.848 0.200 . 1 . . . A 107 GLY N . 17936 1 536 . 1 1 61 61 ARG H H 1 9.003 0.050 . 1 . . . A 108 ARG H . 17936 1 537 . 1 1 61 61 ARG HA H 1 4.772 0.050 . 1 . . . A 108 ARG HA . 17936 1 538 . 1 1 61 61 ARG HB2 H 1 1.897 0.050 . 2 . . . A 108 ARG HB2 . 17936 1 539 . 1 1 61 61 ARG HB3 H 1 2.027 0.050 . 2 . . . A 108 ARG HB3 . 17936 1 540 . 1 1 61 61 ARG HG2 H 1 1.659 0.050 . 2 . . . A 108 ARG HG2 . 17936 1 541 . 1 1 61 61 ARG HG3 H 1 1.701 0.050 . 2 . . . A 108 ARG HG3 . 17936 1 542 . 1 1 61 61 ARG HD2 H 1 3.148 0.050 . 2 . . . A 108 ARG HD2 . 17936 1 543 . 1 1 61 61 ARG HD3 H 1 3.244 0.050 . 2 . . . A 108 ARG HD3 . 17936 1 544 . 1 1 61 61 ARG CA C 13 56.495 0.200 . 1 . . . A 108 ARG CA . 17936 1 545 . 1 1 61 61 ARG CB C 13 29.601 0.200 . 1 . . . A 108 ARG CB . 17936 1 546 . 1 1 61 61 ARG CG C 13 27.187 0.200 . 1 . . . A 108 ARG CG . 17936 1 547 . 1 1 61 61 ARG CD C 13 42.830 0.200 . 1 . . . A 108 ARG CD . 17936 1 548 . 1 1 61 61 ARG N N 15 118.986 0.200 . 1 . . . A 108 ARG N . 17936 1 549 . 1 1 62 62 SER H H 1 7.488 0.050 . 1 . . . A 109 SER H . 17936 1 550 . 1 1 62 62 SER HA H 1 4.560 0.050 . 1 . . . A 109 SER HA . 17936 1 551 . 1 1 62 62 SER HB2 H 1 3.793 0.050 . 2 . . . A 109 SER HB2 . 17936 1 552 . 1 1 62 62 SER HB3 H 1 4.033 0.050 . 2 . . . A 109 SER HB3 . 17936 1 553 . 1 1 62 62 SER CA C 13 55.715 0.200 . 1 . . . A 109 SER CA . 17936 1 554 . 1 1 62 62 SER CB C 13 66.321 0.200 . 1 . . . A 109 SER CB . 17936 1 555 . 1 1 62 62 SER N N 15 110.100 0.200 . 1 . . . A 109 SER N . 17936 1 556 . 1 1 63 63 LYS H H 1 8.591 0.050 . 1 . . . A 110 LYS H . 17936 1 557 . 1 1 63 63 LYS HA H 1 3.260 0.050 . 1 . . . A 110 LYS HA . 17936 1 558 . 1 1 63 63 LYS HB2 H 1 1.350 0.050 . 2 . . . A 110 LYS HB2 . 17936 1 559 . 1 1 63 63 LYS HB3 H 1 1.398 0.050 . 2 . . . A 110 LYS HB3 . 17936 1 560 . 1 1 63 63 LYS HG2 H 1 0.484 0.050 . 2 . . . A 110 LYS HG2 . 17936 1 561 . 1 1 63 63 LYS HG3 H 1 0.571 0.050 . 2 . . . A 110 LYS HG3 . 17936 1 562 . 1 1 63 63 LYS HD2 H 1 1.661 0.050 . 2 . . . A 110 LYS HD2 . 17936 1 563 . 1 1 63 63 LYS HD3 H 1 1.701 0.050 . 2 . . . A 110 LYS HD3 . 17936 1 564 . 1 1 63 63 LYS HE2 H 1 2.670 0.050 . 1 . . . A 110 LYS HE2 . 17936 1 565 . 1 1 63 63 LYS HE3 H 1 2.670 0.050 . 1 . . . A 110 LYS HE3 . 17936 1 566 . 1 1 63 63 LYS CA C 13 60.516 0.200 . 1 . . . A 110 LYS CA . 17936 1 567 . 1 1 63 63 LYS CB C 13 31.386 0.200 . 1 . . . A 110 LYS CB . 17936 1 568 . 1 1 63 63 LYS CG C 13 26.322 0.200 . 1 . . . A 110 LYS CG . 17936 1 569 . 1 1 63 63 LYS CD C 13 27.194 0.200 . 1 . . . A 110 LYS CD . 17936 1 570 . 1 1 63 63 LYS CE C 13 41.704 0.200 . 1 . . . A 110 LYS CE . 17936 1 571 . 1 1 63 63 LYS N N 15 123.195 0.200 . 1 . . . A 110 LYS N . 17936 1 572 . 1 1 64 64 LYS H H 1 8.041 0.050 . 1 . . . A 111 LYS H . 17936 1 573 . 1 1 64 64 LYS HA H 1 3.710 0.050 . 1 . . . A 111 LYS HA . 17936 1 574 . 1 1 64 64 LYS HB2 H 1 1.583 0.050 . 2 . . . A 111 LYS HB2 . 17936 1 575 . 1 1 64 64 LYS HB3 H 1 1.753 0.050 . 2 . . . A 111 LYS HB3 . 17936 1 576 . 1 1 64 64 LYS HG2 H 1 1.148 0.050 . 2 . . . A 111 LYS HG2 . 17936 1 577 . 1 1 64 64 LYS HG3 H 1 1.360 0.050 . 2 . . . A 111 LYS HG3 . 17936 1 578 . 1 1 64 64 LYS HD2 H 1 1.558 0.050 . 1 . . . A 111 LYS HD2 . 17936 1 579 . 1 1 64 64 LYS HD3 H 1 1.558 0.050 . 1 . . . A 111 LYS HD3 . 17936 1 580 . 1 1 64 64 LYS HE2 H 1 2.827 0.050 . 1 . . . A 111 LYS HE2 . 17936 1 581 . 1 1 64 64 LYS HE3 H 1 2.827 0.050 . 1 . . . A 111 LYS HE3 . 17936 1 582 . 1 1 64 64 LYS CA C 13 59.755 0.200 . 1 . . . A 111 LYS CA . 17936 1 583 . 1 1 64 64 LYS CB C 13 32.413 0.200 . 1 . . . A 111 LYS CB . 17936 1 584 . 1 1 64 64 LYS CG C 13 24.758 0.200 . 1 . . . A 111 LYS CG . 17936 1 585 . 1 1 64 64 LYS CD C 13 29.408 0.200 . 1 . . . A 111 LYS CD . 17936 1 586 . 1 1 64 64 LYS CE C 13 41.830 0.200 . 1 . . . A 111 LYS CE . 17936 1 587 . 1 1 64 64 LYS N N 15 117.995 0.200 . 1 . . . A 111 LYS N . 17936 1 588 . 1 1 65 65 VAL H H 1 7.336 0.050 . 1 . . . A 112 VAL H . 17936 1 589 . 1 1 65 65 VAL HA H 1 3.577 0.050 . 1 . . . A 112 VAL HA . 17936 1 590 . 1 1 65 65 VAL HB H 1 1.867 0.050 . 1 . . . A 112 VAL HB . 17936 1 591 . 1 1 65 65 VAL HG11 H 1 0.977 0.050 . 2 . . . A 112 VAL HG11 . 17936 1 592 . 1 1 65 65 VAL HG12 H 1 0.977 0.050 . 2 . . . A 112 VAL HG12 . 17936 1 593 . 1 1 65 65 VAL HG13 H 1 0.977 0.050 . 2 . . . A 112 VAL HG13 . 17936 1 594 . 1 1 65 65 VAL HG21 H 1 1.092 0.050 . 2 . . . A 112 VAL HG21 . 17936 1 595 . 1 1 65 65 VAL HG22 H 1 1.092 0.050 . 2 . . . A 112 VAL HG22 . 17936 1 596 . 1 1 65 65 VAL HG23 H 1 1.092 0.050 . 2 . . . A 112 VAL HG23 . 17936 1 597 . 1 1 65 65 VAL CA C 13 66.038 0.200 . 1 . . . A 112 VAL CA . 17936 1 598 . 1 1 65 65 VAL CB C 13 32.084 0.200 . 1 . . . A 112 VAL CB . 17936 1 599 . 1 1 65 65 VAL CG1 C 13 23.111 0.200 . 1 . . . A 112 VAL CG1 . 17936 1 600 . 1 1 65 65 VAL CG2 C 13 21.666 0.200 . 1 . . . A 112 VAL CG2 . 17936 1 601 . 1 1 65 65 VAL N N 15 117.800 0.200 . 1 . . . A 112 VAL N . 17936 1 602 . 1 1 66 66 ALA H H 1 7.863 0.050 . 1 . . . A 113 ALA H . 17936 1 603 . 1 1 66 66 ALA HA H 1 3.643 0.050 . 1 . . . A 113 ALA HA . 17936 1 604 . 1 1 66 66 ALA HB1 H 1 1.301 0.050 . 1 . . . A 113 ALA HB1 . 17936 1 605 . 1 1 66 66 ALA HB2 H 1 1.301 0.050 . 1 . . . A 113 ALA HB2 . 17936 1 606 . 1 1 66 66 ALA HB3 H 1 1.301 0.050 . 1 . . . A 113 ALA HB3 . 17936 1 607 . 1 1 66 66 ALA CA C 13 55.665 0.200 . 1 . . . A 113 ALA CA . 17936 1 608 . 1 1 66 66 ALA CB C 13 18.194 0.200 . 1 . . . A 113 ALA CB . 17936 1 609 . 1 1 66 66 ALA N N 15 121.915 0.200 . 1 . . . A 113 ALA N . 17936 1 610 . 1 1 67 67 ARG H H 1 7.996 0.050 . 1 . . . A 114 ARG H . 17936 1 611 . 1 1 67 67 ARG HA H 1 3.678 0.050 . 1 . . . A 114 ARG HA . 17936 1 612 . 1 1 67 67 ARG HB2 H 1 1.418 0.050 . 2 . . . A 114 ARG HB2 . 17936 1 613 . 1 1 67 67 ARG HB3 H 1 1.641 0.050 . 2 . . . A 114 ARG HB3 . 17936 1 614 . 1 1 67 67 ARG HG2 H 1 1.016 0.050 . 2 . . . A 114 ARG HG2 . 17936 1 615 . 1 1 67 67 ARG HG3 H 1 1.344 0.050 . 2 . . . A 114 ARG HG3 . 17936 1 616 . 1 1 67 67 ARG HD2 H 1 2.571 0.050 . 2 . . . A 114 ARG HD2 . 17936 1 617 . 1 1 67 67 ARG HD3 H 1 2.672 0.050 . 2 . . . A 114 ARG HD3 . 17936 1 618 . 1 1 67 67 ARG CA C 13 60.340 0.200 . 1 . . . A 114 ARG CA . 17936 1 619 . 1 1 67 67 ARG CB C 13 30.525 0.200 . 1 . . . A 114 ARG CB . 17936 1 620 . 1 1 67 67 ARG CG C 13 28.394 0.200 . 1 . . . A 114 ARG CG . 17936 1 621 . 1 1 67 67 ARG CD C 13 43.412 0.200 . 1 . . . A 114 ARG CD . 17936 1 622 . 1 1 67 67 ARG N N 15 117.110 0.200 . 1 . . . A 114 ARG N . 17936 1 623 . 1 1 68 68 ILE H H 1 7.359 0.050 . 1 . . . A 115 ILE H . 17936 1 624 . 1 1 68 68 ILE HA H 1 3.541 0.050 . 1 . . . A 115 ILE HA . 17936 1 625 . 1 1 68 68 ILE HB H 1 2.057 0.050 . 1 . . . A 115 ILE HB . 17936 1 626 . 1 1 68 68 ILE HG12 H 1 1.644 0.050 . 2 . . . A 115 ILE HG12 . 17936 1 627 . 1 1 68 68 ILE HG13 H 1 1.111 0.050 . 2 . . . A 115 ILE HG13 . 17936 1 628 . 1 1 68 68 ILE HG21 H 1 0.950 0.050 . 1 . . . A 115 ILE HG21 . 17936 1 629 . 1 1 68 68 ILE HG22 H 1 0.950 0.050 . 1 . . . A 115 ILE HG22 . 17936 1 630 . 1 1 68 68 ILE HG23 H 1 0.950 0.050 . 1 . . . A 115 ILE HG23 . 17936 1 631 . 1 1 68 68 ILE HD11 H 1 0.800 0.050 . 1 . . . A 115 ILE HD11 . 17936 1 632 . 1 1 68 68 ILE HD12 H 1 0.800 0.050 . 1 . . . A 115 ILE HD12 . 17936 1 633 . 1 1 68 68 ILE HD13 H 1 0.800 0.050 . 1 . . . A 115 ILE HD13 . 17936 1 634 . 1 1 68 68 ILE CA C 13 64.389 0.200 . 1 . . . A 115 ILE CA . 17936 1 635 . 1 1 68 68 ILE CB C 13 37.890 0.200 . 1 . . . A 115 ILE CB . 17936 1 636 . 1 1 68 68 ILE CG1 C 13 29.857 0.200 . 1 . . . A 115 ILE CG1 . 17936 1 637 . 1 1 68 68 ILE CG2 C 13 16.680 0.200 . 1 . . . A 115 ILE CG2 . 17936 1 638 . 1 1 68 68 ILE CD1 C 13 13.189 0.200 . 1 . . . A 115 ILE CD1 . 17936 1 639 . 1 1 68 68 ILE N N 15 119.448 0.200 . 1 . . . A 115 ILE N . 17936 1 640 . 1 1 69 69 GLU H H 1 8.441 0.050 . 1 . . . A 116 GLU H . 17936 1 641 . 1 1 69 69 GLU HA H 1 4.226 0.050 . 1 . . . A 116 GLU HA . 17936 1 642 . 1 1 69 69 GLU HB2 H 1 1.997 0.050 . 2 . . . A 116 GLU HB2 . 17936 1 643 . 1 1 69 69 GLU HB3 H 1 2.247 0.050 . 2 . . . A 116 GLU HB3 . 17936 1 644 . 1 1 69 69 GLU HG2 H 1 2.408 0.050 . 2 . . . A 116 GLU HG2 . 17936 1 645 . 1 1 69 69 GLU HG3 H 1 2.544 0.050 . 2 . . . A 116 GLU HG3 . 17936 1 646 . 1 1 69 69 GLU CA C 13 58.472 0.200 . 1 . . . A 116 GLU CA . 17936 1 647 . 1 1 69 69 GLU CB C 13 29.371 0.200 . 1 . . . A 116 GLU CB . 17936 1 648 . 1 1 69 69 GLU CG C 13 36.034 0.200 . 1 . . . A 116 GLU CG . 17936 1 649 . 1 1 69 69 GLU N N 15 120.002 0.200 . 1 . . . A 116 GLU N . 17936 1 650 . 1 1 70 70 ALA H H 1 8.488 0.050 . 1 . . . A 117 ALA H . 17936 1 651 . 1 1 70 70 ALA HA H 1 3.816 0.050 . 1 . . . A 117 ALA HA . 17936 1 652 . 1 1 70 70 ALA HB1 H 1 1.449 0.050 . 1 . . . A 117 ALA HB1 . 17936 1 653 . 1 1 70 70 ALA HB2 H 1 1.449 0.050 . 1 . . . A 117 ALA HB2 . 17936 1 654 . 1 1 70 70 ALA HB3 H 1 1.449 0.050 . 1 . . . A 117 ALA HB3 . 17936 1 655 . 1 1 70 70 ALA CA C 13 55.569 0.200 . 1 . . . A 117 ALA CA . 17936 1 656 . 1 1 70 70 ALA CB C 13 17.593 0.200 . 1 . . . A 117 ALA CB . 17936 1 657 . 1 1 70 70 ALA N N 15 126.793 0.200 . 1 . . . A 117 ALA N . 17936 1 658 . 1 1 71 71 ALA H H 1 8.215 0.050 . 1 . . . A 118 ALA H . 17936 1 659 . 1 1 71 71 ALA HA H 1 3.929 0.050 . 1 . . . A 118 ALA HA . 17936 1 660 . 1 1 71 71 ALA HB1 H 1 1.461 0.050 . 1 . . . A 118 ALA HB1 . 17936 1 661 . 1 1 71 71 ALA HB2 H 1 1.461 0.050 . 1 . . . A 118 ALA HB2 . 17936 1 662 . 1 1 71 71 ALA HB3 H 1 1.461 0.050 . 1 . . . A 118 ALA HB3 . 17936 1 663 . 1 1 71 71 ALA CA C 13 54.789 0.200 . 1 . . . A 118 ALA CA . 17936 1 664 . 1 1 71 71 ALA CB C 13 17.480 0.200 . 1 . . . A 118 ALA CB . 17936 1 665 . 1 1 71 71 ALA N N 15 118.014 0.200 . 1 . . . A 118 ALA N . 17936 1 666 . 1 1 72 72 ALA H H 1 8.289 0.050 . 1 . . . A 119 ALA H . 17936 1 667 . 1 1 72 72 ALA HA H 1 3.851 0.050 . 1 . . . A 119 ALA HA . 17936 1 668 . 1 1 72 72 ALA HB1 H 1 1.576 0.050 . 1 . . . A 119 ALA HB1 . 17936 1 669 . 1 1 72 72 ALA HB2 H 1 1.576 0.050 . 1 . . . A 119 ALA HB2 . 17936 1 670 . 1 1 72 72 ALA HB3 H 1 1.576 0.050 . 1 . . . A 119 ALA HB3 . 17936 1 671 . 1 1 72 72 ALA CA C 13 55.400 0.200 . 1 . . . A 119 ALA CA . 17936 1 672 . 1 1 72 72 ALA CB C 13 18.510 0.200 . 1 . . . A 119 ALA CB . 17936 1 673 . 1 1 72 72 ALA N N 15 119.217 0.200 . 1 . . . A 119 ALA N . 17936 1 674 . 1 1 73 73 THR H H 1 8.190 0.050 . 1 . . . A 120 THR H . 17936 1 675 . 1 1 73 73 THR HA H 1 3.734 0.050 . 1 . . . A 120 THR HA . 17936 1 676 . 1 1 73 73 THR HB H 1 4.376 0.050 . 1 . . . A 120 THR HB . 17936 1 677 . 1 1 73 73 THR HG21 H 1 1.512 0.050 . 1 . . . A 120 THR HG21 . 17936 1 678 . 1 1 73 73 THR HG22 H 1 1.512 0.050 . 1 . . . A 120 THR HG22 . 17936 1 679 . 1 1 73 73 THR HG23 H 1 1.512 0.050 . 1 . . . A 120 THR HG23 . 17936 1 680 . 1 1 73 73 THR CA C 13 66.564 0.200 . 1 . . . A 120 THR CA . 17936 1 681 . 1 1 73 73 THR CB C 13 68.361 0.200 . 1 . . . A 120 THR CB . 17936 1 682 . 1 1 73 73 THR CG2 C 13 22.679 0.200 . 1 . . . A 120 THR CG2 . 17936 1 683 . 1 1 73 73 THR N N 15 116.263 0.200 . 1 . . . A 120 THR N . 17936 1 684 . 1 1 74 74 ALA H H 1 7.865 0.050 . 1 . . . A 121 ALA H . 17936 1 685 . 1 1 74 74 ALA HA H 1 2.482 0.050 . 1 . . . A 121 ALA HA . 17936 1 686 . 1 1 74 74 ALA HB1 H 1 0.945 0.050 . 1 . . . A 121 ALA HB1 . 17936 1 687 . 1 1 74 74 ALA HB2 H 1 0.945 0.050 . 1 . . . A 121 ALA HB2 . 17936 1 688 . 1 1 74 74 ALA HB3 H 1 0.945 0.050 . 1 . . . A 121 ALA HB3 . 17936 1 689 . 1 1 74 74 ALA CA C 13 54.697 0.200 . 1 . . . A 121 ALA CA . 17936 1 690 . 1 1 74 74 ALA CB C 13 18.985 0.200 . 1 . . . A 121 ALA CB . 17936 1 691 . 1 1 74 74 ALA N N 15 125.118 0.200 . 1 . . . A 121 ALA N . 17936 1 692 . 1 1 75 75 LEU H H 1 8.483 0.050 . 1 . . . A 122 LEU H . 17936 1 693 . 1 1 75 75 LEU HA H 1 3.724 0.050 . 1 . . . A 122 LEU HA . 17936 1 694 . 1 1 75 75 LEU HB2 H 1 1.229 0.050 . 2 . . . A 122 LEU HB2 . 17936 1 695 . 1 1 75 75 LEU HB3 H 1 1.769 0.050 . 2 . . . A 122 LEU HB3 . 17936 1 696 . 1 1 75 75 LEU HG H 1 1.650 0.050 . 1 . . . A 122 LEU HG . 17936 1 697 . 1 1 75 75 LEU HD11 H 1 0.738 0.050 . 2 . . . A 122 LEU HD11 . 17936 1 698 . 1 1 75 75 LEU HD12 H 1 0.738 0.050 . 2 . . . A 122 LEU HD12 . 17936 1 699 . 1 1 75 75 LEU HD13 H 1 0.738 0.050 . 2 . . . A 122 LEU HD13 . 17936 1 700 . 1 1 75 75 LEU HD21 H 1 0.542 0.050 . 2 . . . A 122 LEU HD21 . 17936 1 701 . 1 1 75 75 LEU HD22 H 1 0.542 0.050 . 2 . . . A 122 LEU HD22 . 17936 1 702 . 1 1 75 75 LEU HD23 H 1 0.542 0.050 . 2 . . . A 122 LEU HD23 . 17936 1 703 . 1 1 75 75 LEU CA C 13 57.918 0.200 . 1 . . . A 122 LEU CA . 17936 1 704 . 1 1 75 75 LEU CB C 13 42.013 0.200 . 1 . . . A 122 LEU CB . 17936 1 705 . 1 1 75 75 LEU CG C 13 27.157 0.200 . 1 . . . A 122 LEU CG . 17936 1 706 . 1 1 75 75 LEU CD1 C 13 26.251 0.200 . 1 . . . A 122 LEU CD1 . 17936 1 707 . 1 1 75 75 LEU CD2 C 13 23.914 0.200 . 1 . . . A 122 LEU CD2 . 17936 1 708 . 1 1 75 75 LEU N N 15 118.442 0.200 . 1 . . . A 122 LEU N . 17936 1 709 . 1 1 76 76 ARG H H 1 7.509 0.050 . 1 . . . A 123 ARG H . 17936 1 710 . 1 1 76 76 ARG HA H 1 4.044 0.050 . 1 . . . A 123 ARG HA . 17936 1 711 . 1 1 76 76 ARG HB2 H 1 1.859 0.050 . 2 . . . A 123 ARG HB2 . 17936 1 712 . 1 1 76 76 ARG HB3 H 1 1.910 0.050 . 2 . . . A 123 ARG HB3 . 17936 1 713 . 1 1 76 76 ARG HG2 H 1 1.598 0.050 . 2 . . . A 123 ARG HG2 . 17936 1 714 . 1 1 76 76 ARG HG3 H 1 1.868 0.050 . 2 . . . A 123 ARG HG3 . 17936 1 715 . 1 1 76 76 ARG HD2 H 1 3.165 0.050 . 2 . . . A 123 ARG HD2 . 17936 1 716 . 1 1 76 76 ARG HD3 H 1 3.227 0.050 . 2 . . . A 123 ARG HD3 . 17936 1 717 . 1 1 76 76 ARG CA C 13 58.671 0.200 . 1 . . . A 123 ARG CA . 17936 1 718 . 1 1 76 76 ARG CB C 13 30.166 0.200 . 1 . . . A 123 ARG CB . 17936 1 719 . 1 1 76 76 ARG CG C 13 28.500 0.200 . 1 . . . A 123 ARG CG . 17936 1 720 . 1 1 76 76 ARG CD C 13 43.739 0.200 . 1 . . . A 123 ARG CD . 17936 1 721 . 1 1 76 76 ARG N N 15 116.297 0.200 . 1 . . . A 123 ARG N . 17936 1 722 . 1 1 77 77 SER H H 1 7.446 0.050 . 1 . . . A 124 SER H . 17936 1 723 . 1 1 77 77 SER HA H 1 4.275 0.050 . 1 . . . A 124 SER HA . 17936 1 724 . 1 1 77 77 SER HB2 H 1 3.719 0.050 . 2 . . . A 124 SER HB2 . 17936 1 725 . 1 1 77 77 SER HB3 H 1 3.785 0.050 . 2 . . . A 124 SER HB3 . 17936 1 726 . 1 1 77 77 SER CA C 13 60.327 0.200 . 1 . . . A 124 SER CA . 17936 1 727 . 1 1 77 77 SER CB C 13 63.919 0.200 . 1 . . . A 124 SER CB . 17936 1 728 . 1 1 77 77 SER N N 15 113.838 0.200 . 1 . . . A 124 SER N . 17936 1 729 . 1 1 78 78 PHE H H 1 7.629 0.050 . 1 . . . A 125 PHE H . 17936 1 730 . 1 1 78 78 PHE HA H 1 4.525 0.050 . 1 . . . A 125 PHE HA . 17936 1 731 . 1 1 78 78 PHE HB2 H 1 3.053 0.050 . 1 . . . A 125 PHE HB2 . 17936 1 732 . 1 1 78 78 PHE HB3 H 1 3.053 0.050 . 1 . . . A 125 PHE HB3 . 17936 1 733 . 1 1 78 78 PHE HD1 H 1 7.170 0.050 . 1 . . . A 125 PHE HD1 . 17936 1 734 . 1 1 78 78 PHE HD2 H 1 7.170 0.050 . 1 . . . A 125 PHE HD2 . 17936 1 735 . 1 1 78 78 PHE HE1 H 1 6.991 0.050 . 1 . . . A 125 PHE HE1 . 17936 1 736 . 1 1 78 78 PHE HE2 H 1 6.991 0.050 . 1 . . . A 125 PHE HE2 . 17936 1 737 . 1 1 78 78 PHE HZ H 1 6.873 0.050 . 1 . . . A 125 PHE HZ . 17936 1 738 . 1 1 78 78 PHE CA C 13 58.152 0.200 . 1 . . . A 125 PHE CA . 17936 1 739 . 1 1 78 78 PHE CB C 13 39.241 0.200 . 1 . . . A 125 PHE CB . 17936 1 740 . 1 1 78 78 PHE CD1 C 13 131.816 0.200 . 1 . . . A 125 PHE CD1 . 17936 1 741 . 1 1 78 78 PHE CE1 C 13 130.688 0.200 . 1 . . . A 125 PHE CE1 . 17936 1 742 . 1 1 78 78 PHE CZ C 13 128.770 0.200 . 1 . . . A 125 PHE CZ . 17936 1 743 . 1 1 78 78 PHE N N 15 120.535 0.200 . 1 . . . A 125 PHE N . 17936 1 744 . 1 1 79 79 ILE H H 1 7.917 0.050 . 1 . . . A 126 ILE H . 17936 1 745 . 1 1 79 79 ILE HA H 1 3.994 0.050 . 1 . . . A 126 ILE HA . 17936 1 746 . 1 1 79 79 ILE HB H 1 1.740 0.050 . 1 . . . A 126 ILE HB . 17936 1 747 . 1 1 79 79 ILE HG12 H 1 1.336 0.050 . 2 . . . A 126 ILE HG12 . 17936 1 748 . 1 1 79 79 ILE HG13 H 1 1.073 0.050 . 2 . . . A 126 ILE HG13 . 17936 1 749 . 1 1 79 79 ILE HG21 H 1 0.684 0.050 . 1 . . . A 126 ILE HG21 . 17936 1 750 . 1 1 79 79 ILE HG22 H 1 0.684 0.050 . 1 . . . A 126 ILE HG22 . 17936 1 751 . 1 1 79 79 ILE HG23 H 1 0.684 0.050 . 1 . . . A 126 ILE HG23 . 17936 1 752 . 1 1 79 79 ILE HD11 H 1 0.750 0.050 . 1 . . . A 126 ILE HD11 . 17936 1 753 . 1 1 79 79 ILE HD12 H 1 0.750 0.050 . 1 . . . A 126 ILE HD12 . 17936 1 754 . 1 1 79 79 ILE HD13 H 1 0.750 0.050 . 1 . . . A 126 ILE HD13 . 17936 1 755 . 1 1 79 79 ILE CA C 13 61.870 0.200 . 1 . . . A 126 ILE CA . 17936 1 756 . 1 1 79 79 ILE CB C 13 38.626 0.200 . 1 . . . A 126 ILE CB . 17936 1 757 . 1 1 79 79 ILE CG1 C 13 27.538 0.200 . 1 . . . A 126 ILE CG1 . 17936 1 758 . 1 1 79 79 ILE CG2 C 13 17.535 0.200 . 1 . . . A 126 ILE CG2 . 17936 1 759 . 1 1 79 79 ILE CD1 C 13 13.207 0.200 . 1 . . . A 126 ILE CD1 . 17936 1 760 . 1 1 79 79 ILE N N 15 120.901 0.200 . 1 . . . A 126 ILE N . 17936 1 761 . 1 1 80 80 GLN H H 1 8.264 0.050 . 1 . . . A 127 GLN H . 17936 1 762 . 1 1 80 80 GLN HA H 1 4.187 0.050 . 1 . . . A 127 GLN HA . 17936 1 763 . 1 1 80 80 GLN HB2 H 1 1.810 0.050 . 2 . . . A 127 GLN HB2 . 17936 1 764 . 1 1 80 80 GLN HB3 H 1 1.853 0.050 . 2 . . . A 127 GLN HB3 . 17936 1 765 . 1 1 80 80 GLN HG2 H 1 2.033 0.050 . 2 . . . A 127 GLN HG2 . 17936 1 766 . 1 1 80 80 GLN HG3 H 1 2.137 0.050 . 2 . . . A 127 GLN HG3 . 17936 1 767 . 1 1 80 80 GLN HE21 H 1 6.742 0.050 . 2 . . . A 127 GLN HE21 . 17936 1 768 . 1 1 80 80 GLN HE22 H 1 7.405 0.050 . 2 . . . A 127 GLN HE22 . 17936 1 769 . 1 1 80 80 GLN CA C 13 56.224 0.200 . 1 . . . A 127 GLN CA . 17936 1 770 . 1 1 80 80 GLN CB C 13 29.054 0.200 . 1 . . . A 127 GLN CB . 17936 1 771 . 1 1 80 80 GLN CG C 13 33.625 0.200 . 1 . . . A 127 GLN CG . 17936 1 772 . 1 1 80 80 GLN NE2 N 15 111.996 0.200 . 1 . . . A 127 GLN NE2 . 17936 1 773 . 1 1 81 81 PHE H H 1 8.071 0.050 . 1 . . . A 128 PHE H . 17936 1 774 . 1 1 81 81 PHE HA H 1 4.685 0.050 . 1 . . . A 128 PHE HA . 17936 1 775 . 1 1 81 81 PHE HB2 H 1 2.917 0.050 . 2 . . . A 128 PHE HB2 . 17936 1 776 . 1 1 81 81 PHE HB3 H 1 3.082 0.050 . 2 . . . A 128 PHE HB3 . 17936 1 777 . 1 1 81 81 PHE HD1 H 1 7.151 0.050 . 1 . . . A 128 PHE HD1 . 17936 1 778 . 1 1 81 81 PHE HD2 H 1 7.151 0.050 . 1 . . . A 128 PHE HD2 . 17936 1 779 . 1 1 81 81 PHE HE1 H 1 7.177 0.050 . 1 . . . A 128 PHE HE1 . 17936 1 780 . 1 1 81 81 PHE HE2 H 1 7.177 0.050 . 1 . . . A 128 PHE HE2 . 17936 1 781 . 1 1 81 81 PHE HZ H 1 7.135 0.050 . 1 . . . A 128 PHE HZ . 17936 1 782 . 1 1 81 81 PHE CA C 13 57.534 0.200 . 1 . . . A 128 PHE CA . 17936 1 783 . 1 1 81 81 PHE CB C 13 39.673 0.200 . 1 . . . A 128 PHE CB . 17936 1 784 . 1 1 81 81 PHE CD1 C 13 131.875 0.200 . 1 . . . A 128 PHE CD1 . 17936 1 785 . 1 1 81 81 PHE CE1 C 13 131.323 0.200 . 1 . . . A 128 PHE CE1 . 17936 1 786 . 1 1 81 81 PHE CZ C 13 129.659 0.200 . 1 . . . A 128 PHE CZ . 17936 1 787 . 1 1 82 82 LYS H H 1 8.072 0.050 . 1 . . . A 129 LYS H . 17936 1 788 . 1 1 82 82 LYS HA H 1 4.188 0.050 . 1 . . . A 129 LYS HA . 17936 1 789 . 1 1 82 82 LYS HB2 H 1 1.681 0.050 . 2 . . . A 129 LYS HB2 . 17936 1 790 . 1 1 82 82 LYS HB3 H 1 1.758 0.050 . 2 . . . A 129 LYS HB3 . 17936 1 791 . 1 1 82 82 LYS CA C 13 56.604 0.200 . 1 . . . A 129 LYS CA . 17936 1 792 . 1 1 82 82 LYS CB C 13 32.936 0.200 . 1 . . . A 129 LYS CB . 17936 1 793 . 1 1 83 83 ASP H H 1 8.335 0.050 . 1 . . . A 130 ASP H . 17936 1 794 . 1 1 83 83 ASP HA H 1 4.458 0.050 . 1 . . . A 130 ASP HA . 17936 1 795 . 1 1 83 83 ASP HB2 H 1 2.561 0.050 . 2 . . . A 130 ASP HB2 . 17936 1 796 . 1 1 83 83 ASP HB3 H 1 2.666 0.050 . 2 . . . A 130 ASP HB3 . 17936 1 797 . 1 1 83 83 ASP CA C 13 54.723 0.200 . 1 . . . A 130 ASP CA . 17936 1 798 . 1 1 83 83 ASP CB C 13 40.968 0.200 . 1 . . . A 130 ASP CB . 17936 1 799 . 1 1 83 83 ASP N N 15 121.605 0.200 . 1 . . . A 130 ASP N . 17936 1 800 . 1 1 84 84 GLY H H 1 8.197 0.050 . 1 . . . A 131 GLY H . 17936 1 801 . 1 1 84 84 GLY HA2 H 1 3.790 0.050 . 2 . . . A 131 GLY HA2 . 17936 1 802 . 1 1 84 84 GLY HA3 H 1 3.905 0.050 . 2 . . . A 131 GLY HA3 . 17936 1 803 . 1 1 84 84 GLY CA C 13 45.471 0.200 . 1 . . . A 131 GLY CA . 17936 1 804 . 1 1 84 84 GLY N N 15 108.666 0.200 . 1 . . . A 131 GLY N . 17936 1 805 . 1 1 85 85 ALA H H 1 7.984 0.050 . 1 . . . A 132 ALA H . 17936 1 806 . 1 1 85 85 ALA HA H 1 4.279 0.050 . 1 . . . A 132 ALA HA . 17936 1 807 . 1 1 85 85 ALA HB1 H 1 1.287 0.050 . 1 . . . A 132 ALA HB1 . 17936 1 808 . 1 1 85 85 ALA HB2 H 1 1.287 0.050 . 1 . . . A 132 ALA HB2 . 17936 1 809 . 1 1 85 85 ALA HB3 H 1 1.287 0.050 . 1 . . . A 132 ALA HB3 . 17936 1 810 . 1 1 85 85 ALA CA C 13 52.339 0.200 . 1 . . . A 132 ALA CA . 17936 1 811 . 1 1 85 85 ALA CB C 13 19.520 0.200 . 1 . . . A 132 ALA CB . 17936 1 812 . 1 1 85 85 ALA N N 15 123.461 0.200 . 1 . . . A 132 ALA N . 17936 1 813 . 1 1 86 86 VAL H H 1 7.983 0.050 . 1 . . . A 133 VAL H . 17936 1 814 . 1 1 86 86 VAL HA H 1 3.983 0.050 . 1 . . . A 133 VAL HA . 17936 1 815 . 1 1 86 86 VAL HB H 1 1.961 0.050 . 1 . . . A 133 VAL HB . 17936 1 816 . 1 1 86 86 VAL HG11 H 1 0.831 0.050 . 2 . . . A 133 VAL HG11 . 17936 1 817 . 1 1 86 86 VAL HG12 H 1 0.831 0.050 . 2 . . . A 133 VAL HG12 . 17936 1 818 . 1 1 86 86 VAL HG13 H 1 0.831 0.050 . 2 . . . A 133 VAL HG13 . 17936 1 819 . 1 1 86 86 VAL HG21 H 1 0.853 0.050 . 2 . . . A 133 VAL HG21 . 17936 1 820 . 1 1 86 86 VAL HG22 H 1 0.853 0.050 . 2 . . . A 133 VAL HG22 . 17936 1 821 . 1 1 86 86 VAL HG23 H 1 0.853 0.050 . 2 . . . A 133 VAL HG23 . 17936 1 822 . 1 1 86 86 VAL CA C 13 62.233 0.200 . 1 . . . A 133 VAL CA . 17936 1 823 . 1 1 86 86 VAL CB C 13 32.664 0.200 . 1 . . . A 133 VAL CB . 17936 1 824 . 1 1 86 86 VAL CG1 C 13 20.340 0.200 . 1 . . . A 133 VAL CG1 . 17936 1 825 . 1 1 86 86 VAL CG2 C 13 20.910 0.200 . 1 . . . A 133 VAL CG2 . 17936 1 826 . 1 1 86 86 VAL N N 15 118.946 0.200 . 1 . . . A 133 VAL N . 17936 1 827 . 1 1 87 87 LEU H H 1 8.217 0.050 . 1 . . . A 134 LEU H . 17936 1 828 . 1 1 87 87 LEU HA H 1 4.307 0.050 . 1 . . . A 134 LEU HA . 17936 1 829 . 1 1 87 87 LEU HB2 H 1 1.514 0.050 . 2 . . . A 134 LEU HB2 . 17936 1 830 . 1 1 87 87 LEU HB3 H 1 1.460 0.050 . 2 . . . A 134 LEU HB3 . 17936 1 831 . 1 1 87 87 LEU HG H 1 1.496 0.050 . 1 . . . A 134 LEU HG . 17936 1 832 . 1 1 87 87 LEU HD11 H 1 0.802 0.050 . 2 . . . A 134 LEU HD11 . 17936 1 833 . 1 1 87 87 LEU HD12 H 1 0.802 0.050 . 2 . . . A 134 LEU HD12 . 17936 1 834 . 1 1 87 87 LEU HD13 H 1 0.802 0.050 . 2 . . . A 134 LEU HD13 . 17936 1 835 . 1 1 87 87 LEU HD21 H 1 0.745 0.050 . 2 . . . A 134 LEU HD21 . 17936 1 836 . 1 1 87 87 LEU HD22 H 1 0.745 0.050 . 2 . . . A 134 LEU HD22 . 17936 1 837 . 1 1 87 87 LEU HD23 H 1 0.745 0.050 . 2 . . . A 134 LEU HD23 . 17936 1 838 . 1 1 87 87 LEU CA C 13 54.774 0.200 . 1 . . . A 134 LEU CA . 17936 1 839 . 1 1 87 87 LEU CB C 13 42.328 0.200 . 1 . . . A 134 LEU CB . 17936 1 840 . 1 1 87 87 LEU CG C 13 26.953 0.200 . 1 . . . A 134 LEU CG . 17936 1 841 . 1 1 87 87 LEU CD1 C 13 24.854 0.200 . 1 . . . A 134 LEU CD1 . 17936 1 842 . 1 1 87 87 LEU CD2 C 13 23.447 0.200 . 1 . . . A 134 LEU CD2 . 17936 1 843 . 1 1 87 87 LEU N N 15 125.915 0.200 . 1 . . . A 134 LEU N . 17936 1 844 . 1 1 88 88 SER H H 1 8.173 0.050 . 1 . . . A 135 SER H . 17936 1 845 . 1 1 88 88 SER HA H 1 4.667 0.050 . 1 . . . A 135 SER HA . 17936 1 846 . 1 1 88 88 SER HB2 H 1 3.733 0.050 . 2 . . . A 135 SER HB2 . 17936 1 847 . 1 1 88 88 SER HB3 H 1 3.756 0.050 . 2 . . . A 135 SER HB3 . 17936 1 848 . 1 1 88 88 SER CA C 13 56.095 0.200 . 1 . . . A 135 SER CA . 17936 1 849 . 1 1 88 88 SER CB C 13 63.549 0.200 . 1 . . . A 135 SER CB . 17936 1 850 . 1 1 88 88 SER N N 15 117.832 0.200 . 1 . . . A 135 SER N . 17936 1 851 . 1 1 89 89 PRO HA H 1 4.355 0.050 . 1 . . . A 136 PRO HA . 17936 1 852 . 1 1 89 89 PRO HB2 H 1 1.880 0.050 . 2 . . . A 136 PRO HB2 . 17936 1 853 . 1 1 89 89 PRO HB3 H 1 1.790 0.050 . 2 . . . A 136 PRO HB3 . 17936 1 854 . 1 1 89 89 PRO HG2 H 1 1.874 0.050 . 2 . . . A 136 PRO HG2 . 17936 1 855 . 1 1 89 89 PRO HG3 H 1 1.947 0.050 . 2 . . . A 136 PRO HG3 . 17936 1 856 . 1 1 89 89 PRO HD2 H 1 3.575 0.050 . 2 . . . A 136 PRO HD2 . 17936 1 857 . 1 1 89 89 PRO HD3 H 1 3.691 0.050 . 2 . . . A 136 PRO HD3 . 17936 1 858 . 1 1 89 89 PRO CA C 13 63.091 0.200 . 1 . . . A 136 PRO CA . 17936 1 859 . 1 1 89 89 PRO CB C 13 31.996 0.200 . 1 . . . A 136 PRO CB . 17936 1 860 . 1 1 89 89 PRO CG C 13 27.389 0.200 . 1 . . . A 136 PRO CG . 17936 1 861 . 1 1 89 89 PRO CD C 13 50.636 0.200 . 1 . . . A 136 PRO CD . 17936 1 862 . 1 1 90 90 LEU H H 1 8.120 0.050 . 1 . . . A 137 LEU H . 17936 1 863 . 1 1 90 90 LEU HA H 1 4.271 0.050 . 1 . . . A 137 LEU HA . 17936 1 864 . 1 1 90 90 LEU HB2 H 1 1.482 0.050 . 1 . . . A 137 LEU HB2 . 17936 1 865 . 1 1 90 90 LEU HB3 H 1 1.482 0.050 . 1 . . . A 137 LEU HB3 . 17936 1 866 . 1 1 90 90 LEU HG H 1 1.507 0.050 . 1 . . . A 137 LEU HG . 17936 1 867 . 1 1 90 90 LEU HD11 H 1 0.831 0.050 . 2 . . . A 137 LEU HD11 . 17936 1 868 . 1 1 90 90 LEU HD12 H 1 0.831 0.050 . 2 . . . A 137 LEU HD12 . 17936 1 869 . 1 1 90 90 LEU HD13 H 1 0.831 0.050 . 2 . . . A 137 LEU HD13 . 17936 1 870 . 1 1 90 90 LEU HD21 H 1 0.780 0.050 . 2 . . . A 137 LEU HD21 . 17936 1 871 . 1 1 90 90 LEU HD22 H 1 0.780 0.050 . 2 . . . A 137 LEU HD22 . 17936 1 872 . 1 1 90 90 LEU HD23 H 1 0.780 0.050 . 2 . . . A 137 LEU HD23 . 17936 1 873 . 1 1 90 90 LEU CA C 13 55.050 0.200 . 1 . . . A 137 LEU CA . 17936 1 874 . 1 1 90 90 LEU CB C 13 42.372 0.200 . 1 . . . A 137 LEU CB . 17936 1 875 . 1 1 90 90 LEU CG C 13 26.888 0.200 . 1 . . . A 137 LEU CG . 17936 1 876 . 1 1 90 90 LEU CD1 C 13 24.855 0.200 . 1 . . . A 137 LEU CD1 . 17936 1 877 . 1 1 90 90 LEU CD2 C 13 23.487 0.200 . 1 . . . A 137 LEU CD2 . 17936 1 878 . 1 1 90 90 LEU N N 15 121.777 0.200 . 1 . . . A 137 LEU N . 17936 1 879 . 1 1 92 92 PRO HA H 1 4.315 0.050 . 1 . . . A 139 PRO HA . 17936 1 880 . 1 1 92 92 PRO HB2 H 1 2.190 0.050 . 1 . . . A 139 PRO HB2 . 17936 1 881 . 1 1 92 92 PRO HB3 H 1 2.190 0.050 . 1 . . . A 139 PRO HB3 . 17936 1 882 . 1 1 92 92 PRO HG2 H 1 1.906 0.050 . 1 . . . A 139 PRO HG2 . 17936 1 883 . 1 1 92 92 PRO HG3 H 1 1.906 0.050 . 1 . . . A 139 PRO HG3 . 17936 1 884 . 1 1 92 92 PRO HD2 H 1 3.566 0.050 . 2 . . . A 139 PRO HD2 . 17936 1 885 . 1 1 92 92 PRO HD3 H 1 3.775 0.050 . 2 . . . A 139 PRO HD3 . 17936 1 886 . 1 1 92 92 PRO CA C 13 63.811 0.200 . 1 . . . A 139 PRO CA . 17936 1 887 . 1 1 92 92 PRO CB C 13 32.027 0.200 . 1 . . . A 139 PRO CB . 17936 1 888 . 1 1 92 92 PRO CG C 13 27.233 0.200 . 1 . . . A 139 PRO CG . 17936 1 889 . 1 1 92 92 PRO CD C 13 50.922 0.200 . 1 . . . A 139 PRO CD . 17936 1 890 . 1 1 93 93 ALA H H 1 7.896 0.050 . 1 . . . A 140 ALA H . 17936 1 891 . 1 1 93 93 ALA HA H 1 4.018 0.050 . 1 . . . A 140 ALA HA . 17936 1 892 . 1 1 93 93 ALA HB1 H 1 1.251 0.050 . 1 . . . A 140 ALA HB1 . 17936 1 893 . 1 1 93 93 ALA HB2 H 1 1.251 0.050 . 1 . . . A 140 ALA HB2 . 17936 1 894 . 1 1 93 93 ALA HB3 H 1 1.251 0.050 . 1 . . . A 140 ALA HB3 . 17936 1 895 . 1 1 93 93 ALA CA C 13 53.781 0.200 . 1 . . . A 140 ALA CA . 17936 1 896 . 1 1 93 93 ALA CB C 13 20.090 0.200 . 1 . . . A 140 ALA CB . 17936 1 897 . 1 1 93 93 ALA N N 15 129.879 0.200 . 1 . . . A 140 ALA N . 17936 1 stop_ save_