data_18734 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18734 _Entry.Title ; NMR structure of the hypothetical protein ZP_02034617.1 from Bacteroides capillosus ATCC 29799 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-09-21 _Entry.Accession_date 2012-09-21 _Entry.Last_release_date 2012-10-25 _Entry.Original_release_date 2012-10-25 _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 NMR' _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 Samit Dutta . K. . 18734 2 Pedro Serrano . . . 18734 3 Michael Geralt . . . 18734 4 Kurt Wuthrich . . . 18734 5 Samit Dutta . . . 18734 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 PSI:Biology 'Joint Center for Structural Genomics' . 18734 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Hypothetical Leucine Rich Repeat Protein' . 18734 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18734 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 315 18734 '15N chemical shifts' 100 18734 '1H chemical shifts' 673 18734 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-10-25 2012-09-21 original author . 18734 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LZ0 'BMRB Entry Tracking System' 18734 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18734 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR structure of the hypothetical protein ZP_02034617.1 from Bacteroides capillosus ATCC 29799' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Samit Dutta . K. . 18734 1 2 Pedro Serrano . . . 18734 1 3 Michael Geralt . . . 18734 1 4 Kurt Wuthrich . . . 18734 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18734 _Assembly.ID 1 _Assembly.Name ZP_02034617.1 _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 ZP_02034617.1 1 $ZP_02034617.1 A . yes native no no . . . 18734 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ZP_02034617.1 _Entity.Sf_category entity _Entity.Sf_framecode ZP_02034617.1 _Entity.Entry_ID 18734 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ZP_02034617.1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHEGEPVVGMDKSLFAGNT VIREITVQPNIGLLYDGMFS GCTALEKLILTGEDPSAYSA GDGLRDGADFLICVPEEALD RYRRDYFWQTYAAWIQPMEQ ; _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11087.459 _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 2LZ0 . "Nmr Structure Of The Protein Zp_02034617.1 From Bacteroides Capillosus Atcc 29799" . . . . . 100.00 100 100.00 100.00 4.79e-67 . . . . 18734 1 2 no GB EDN01860 . "hypothetical protein BACCAP_00201 [Pseudoflavonifractor capillosus ATCC 29799]" . . . . . 100.00 478 100.00 100.00 2.99e-63 . . . . 18734 1 3 no REF WP_006570766 . "hypothetical protein [Pseudoflavonifractor capillosus]" . . . . . 100.00 478 100.00 100.00 2.99e-63 . . . . 18734 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 18734 1 2 2 SER . 18734 1 3 3 HIS . 18734 1 4 4 GLU . 18734 1 5 5 GLY . 18734 1 6 6 GLU . 18734 1 7 7 PRO . 18734 1 8 8 VAL . 18734 1 9 9 VAL . 18734 1 10 10 GLY . 18734 1 11 11 MET . 18734 1 12 12 ASP . 18734 1 13 13 LYS . 18734 1 14 14 SER . 18734 1 15 15 LEU . 18734 1 16 16 PHE . 18734 1 17 17 ALA . 18734 1 18 18 GLY . 18734 1 19 19 ASN . 18734 1 20 20 THR . 18734 1 21 21 VAL . 18734 1 22 22 ILE . 18734 1 23 23 ARG . 18734 1 24 24 GLU . 18734 1 25 25 ILE . 18734 1 26 26 THR . 18734 1 27 27 VAL . 18734 1 28 28 GLN . 18734 1 29 29 PRO . 18734 1 30 30 ASN . 18734 1 31 31 ILE . 18734 1 32 32 GLY . 18734 1 33 33 LEU . 18734 1 34 34 LEU . 18734 1 35 35 TYR . 18734 1 36 36 ASP . 18734 1 37 37 GLY . 18734 1 38 38 MET . 18734 1 39 39 PHE . 18734 1 40 40 SER . 18734 1 41 41 GLY . 18734 1 42 42 CYS . 18734 1 43 43 THR . 18734 1 44 44 ALA . 18734 1 45 45 LEU . 18734 1 46 46 GLU . 18734 1 47 47 LYS . 18734 1 48 48 LEU . 18734 1 49 49 ILE . 18734 1 50 50 LEU . 18734 1 51 51 THR . 18734 1 52 52 GLY . 18734 1 53 53 GLU . 18734 1 54 54 ASP . 18734 1 55 55 PRO . 18734 1 56 56 SER . 18734 1 57 57 ALA . 18734 1 58 58 TYR . 18734 1 59 59 SER . 18734 1 60 60 ALA . 18734 1 61 61 GLY . 18734 1 62 62 ASP . 18734 1 63 63 GLY . 18734 1 64 64 LEU . 18734 1 65 65 ARG . 18734 1 66 66 ASP . 18734 1 67 67 GLY . 18734 1 68 68 ALA . 18734 1 69 69 ASP . 18734 1 70 70 PHE . 18734 1 71 71 LEU . 18734 1 72 72 ILE . 18734 1 73 73 CYS . 18734 1 74 74 VAL . 18734 1 75 75 PRO . 18734 1 76 76 GLU . 18734 1 77 77 GLU . 18734 1 78 78 ALA . 18734 1 79 79 LEU . 18734 1 80 80 ASP . 18734 1 81 81 ARG . 18734 1 82 82 TYR . 18734 1 83 83 ARG . 18734 1 84 84 ARG . 18734 1 85 85 ASP . 18734 1 86 86 TYR . 18734 1 87 87 PHE . 18734 1 88 88 TRP . 18734 1 89 89 GLN . 18734 1 90 90 THR . 18734 1 91 91 TYR . 18734 1 92 92 ALA . 18734 1 93 93 ALA . 18734 1 94 94 TRP . 18734 1 95 95 ILE . 18734 1 96 96 GLN . 18734 1 97 97 PRO . 18734 1 98 98 MET . 18734 1 99 99 GLU . 18734 1 100 100 GLN . 18734 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18734 1 . SER 2 2 18734 1 . HIS 3 3 18734 1 . GLU 4 4 18734 1 . GLY 5 5 18734 1 . GLU 6 6 18734 1 . PRO 7 7 18734 1 . VAL 8 8 18734 1 . VAL 9 9 18734 1 . GLY 10 10 18734 1 . MET 11 11 18734 1 . ASP 12 12 18734 1 . LYS 13 13 18734 1 . SER 14 14 18734 1 . LEU 15 15 18734 1 . PHE 16 16 18734 1 . ALA 17 17 18734 1 . GLY 18 18 18734 1 . ASN 19 19 18734 1 . THR 20 20 18734 1 . VAL 21 21 18734 1 . ILE 22 22 18734 1 . ARG 23 23 18734 1 . GLU 24 24 18734 1 . ILE 25 25 18734 1 . THR 26 26 18734 1 . VAL 27 27 18734 1 . GLN 28 28 18734 1 . PRO 29 29 18734 1 . ASN 30 30 18734 1 . ILE 31 31 18734 1 . GLY 32 32 18734 1 . LEU 33 33 18734 1 . LEU 34 34 18734 1 . TYR 35 35 18734 1 . ASP 36 36 18734 1 . GLY 37 37 18734 1 . MET 38 38 18734 1 . PHE 39 39 18734 1 . SER 40 40 18734 1 . GLY 41 41 18734 1 . CYS 42 42 18734 1 . THR 43 43 18734 1 . ALA 44 44 18734 1 . LEU 45 45 18734 1 . GLU 46 46 18734 1 . LYS 47 47 18734 1 . LEU 48 48 18734 1 . ILE 49 49 18734 1 . LEU 50 50 18734 1 . THR 51 51 18734 1 . GLY 52 52 18734 1 . GLU 53 53 18734 1 . ASP 54 54 18734 1 . PRO 55 55 18734 1 . SER 56 56 18734 1 . ALA 57 57 18734 1 . TYR 58 58 18734 1 . SER 59 59 18734 1 . ALA 60 60 18734 1 . GLY 61 61 18734 1 . ASP 62 62 18734 1 . GLY 63 63 18734 1 . LEU 64 64 18734 1 . ARG 65 65 18734 1 . ASP 66 66 18734 1 . GLY 67 67 18734 1 . ALA 68 68 18734 1 . ASP 69 69 18734 1 . PHE 70 70 18734 1 . LEU 71 71 18734 1 . ILE 72 72 18734 1 . CYS 73 73 18734 1 . VAL 74 74 18734 1 . PRO 75 75 18734 1 . GLU 76 76 18734 1 . GLU 77 77 18734 1 . ALA 78 78 18734 1 . LEU 79 79 18734 1 . ASP 80 80 18734 1 . ARG 81 81 18734 1 . TYR 82 82 18734 1 . ARG 83 83 18734 1 . ARG 84 84 18734 1 . ASP 85 85 18734 1 . TYR 86 86 18734 1 . PHE 87 87 18734 1 . TRP 88 88 18734 1 . GLN 89 89 18734 1 . THR 90 90 18734 1 . TYR 91 91 18734 1 . ALA 92 92 18734 1 . ALA 93 93 18734 1 . TRP 94 94 18734 1 . ILE 95 95 18734 1 . GLN 96 96 18734 1 . PRO 97 97 18734 1 . MET 98 98 18734 1 . GLU 99 99 18734 1 . GLN 100 100 18734 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 18734 _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 $ZP_02034617.1 . 411467 organism . 'Pseudoflavonifractor capillosus ATCC 29799' firmicutes . . Bacteria . Pseudoflavonifractor 'Pseudoflavonifractor capillosus' . . . . . . . . . . . . . . . . . . . . . 18734 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 18734 _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 $ZP_02034617.1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Bl21 De3' . . . . . . . . . . . . . . . pSpeedET . . . . . . 18734 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18734 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 ZP_02034617.1 '[U-99% 13C; U-99% 15N]' . . 1 $ZP_02034617.1 . . 1.2 . . mM . . . . 18734 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18734 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18734 1 4 'sodium azide' 'natural abundance' . . . . . . 4.5 . . mM . . . . 18734 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18734 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18734 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18734 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.0798 . M 18734 1 pH 6.0 . pH 18734 1 pressure 1 . atm 18734 1 temperature 298 . K 18734 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18734 _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' . . 18734 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18734 1 processing 18734 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 18734 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 18734 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18734 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18734 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18734 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18734 3 'data analysis' 18734 3 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 18734 _Software.ID 4 _Software.Name UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann and Wuthrich' . . 18734 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18734 4 'peak picking' 18734 4 'structure solution' 18734 4 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 18734 _Software.ID 5 _Software.Name OPAL _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 18734 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18734 5 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18734 _Software.ID 6 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18734 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18734 6 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 18734 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Bruker Avance equipped with cryo-probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18734 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18734 _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 . 600 'Bruker Avance equipped with cryo-probe' . . 18734 1 2 spectrometer_2 Bruker Avance . 800 . . . 18734 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 18734 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18734 1 2 '4D APSY-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18734 1 3 '5D APSY-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18734 1 4 '5D APSY-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18734 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18734 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18734 1 7 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18734 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 18734 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18734 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18734 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18734 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 18734 _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 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.098 _Assigned_chem_shift_list.Chem_shift_15N_err 0.148 _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' . . . 18734 1 2 '4D APSY-HACANH' . . . 18734 1 3 '5D APSY-HACACONH' . . . 18734 1 4 '5D APSY-CBCACONH' . . . 18734 1 5 '3D 1H-15N NOESY' . . . 18734 1 6 '3D 1H-13C NOESY aliphatic' . . . 18734 1 7 '2D 1H-13C HSQC aromatic' . . . 18734 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.373 0.005 . 1 . . . A 2 SER HA . 18734 1 2 . 1 1 2 2 SER HB2 H 1 3.753 0.005 . 1 . . . A 2 SER HB2 . 18734 1 3 . 1 1 2 2 SER HB3 H 1 3.721 0.005 . 1 . . . A 2 SER HB3 . 18734 1 4 . 1 1 2 2 SER CA C 13 55.756 0.098 . 1 . . . A 2 SER CA . 18734 1 5 . 1 1 2 2 SER CB C 13 61.143 0.098 . 1 . . . A 2 SER CB . 18734 1 6 . 1 1 3 3 HIS HA H 1 4.613 0.005 . 1 . . . A 3 HIS HA . 18734 1 7 . 1 1 3 3 HIS HB2 H 1 3.192 0.005 . 1 . . . A 3 HIS HB2 . 18734 1 8 . 1 1 3 3 HIS HB3 H 1 3.043 0.005 . 1 . . . A 3 HIS HB3 . 18734 1 9 . 1 1 3 3 HIS HD2 H 1 7.137 0.005 . 1 . . . A 3 HIS HD2 . 18734 1 10 . 1 1 3 3 HIS CA C 13 52.991 0.098 . 1 . . . A 3 HIS CA . 18734 1 11 . 1 1 3 3 HIS CB C 13 26.607 0.098 . 1 . . . A 3 HIS CB . 18734 1 12 . 1 1 3 3 HIS CD2 C 13 117.491 0.098 . 1 . . . A 3 HIS CD2 . 18734 1 13 . 1 1 4 4 GLU H H 1 8.415 0.005 . 1 . . . A 4 GLU H . 18734 1 14 . 1 1 4 4 GLU HA H 1 4.171 0.005 . 1 . . . A 4 GLU HA . 18734 1 15 . 1 1 4 4 GLU HB2 H 1 1.850 0.005 . 1 . . . A 4 GLU HB2 . 18734 1 16 . 1 1 4 4 GLU HB3 H 1 1.950 0.005 . 1 . . . A 4 GLU HB3 . 18734 1 17 . 1 1 4 4 GLU HG2 H 1 2.157 0.005 . 1 . . . A 4 GLU QG . 18734 1 18 . 1 1 4 4 GLU HG3 H 1 2.157 0.005 . 1 . . . A 4 GLU QG . 18734 1 19 . 1 1 4 4 GLU CA C 13 54.441 0.098 . 1 . . . A 4 GLU CA . 18734 1 20 . 1 1 4 4 GLU CB C 13 27.585 0.098 . 1 . . . A 4 GLU CB . 18734 1 21 . 1 1 4 4 GLU CG C 13 33.605 0.098 . 1 . . . A 4 GLU CG . 18734 1 22 . 1 1 4 4 GLU N N 15 122.124 0.148 . 1 . . . A 4 GLU N . 18734 1 23 . 1 1 5 5 GLY H H 1 8.488 0.005 . 1 . . . A 5 GLY H . 18734 1 24 . 1 1 5 5 GLY HA2 H 1 3.927 0.005 . 1 . . . A 5 GLY HA2 . 18734 1 25 . 1 1 5 5 GLY HA3 H 1 3.826 0.005 . 1 . . . A 5 GLY HA3 . 18734 1 26 . 1 1 5 5 GLY CA C 13 42.610 0.098 . 1 . . . A 5 GLY CA . 18734 1 27 . 1 1 5 5 GLY N N 15 110.434 0.148 . 1 . . . A 5 GLY N . 18734 1 28 . 1 1 6 6 GLU H H 1 7.954 0.005 . 1 . . . A 6 GLU H . 18734 1 29 . 1 1 6 6 GLU HA H 1 4.560 0.005 . 1 . . . A 6 GLU HA . 18734 1 30 . 1 1 6 6 GLU HB2 H 1 1.838 0.005 . 1 . . . A 6 GLU HB2 . 18734 1 31 . 1 1 6 6 GLU HB3 H 1 2.029 0.005 . 1 . . . A 6 GLU HB3 . 18734 1 32 . 1 1 6 6 GLU HG2 H 1 2.205 0.005 . 1 . . . A 6 GLU QG . 18734 1 33 . 1 1 6 6 GLU HG3 H 1 2.205 0.005 . 1 . . . A 6 GLU QG . 18734 1 34 . 1 1 6 6 GLU CA C 13 51.629 0.098 . 1 . . . A 6 GLU CA . 18734 1 35 . 1 1 6 6 GLU CB C 13 26.998 0.098 . 1 . . . A 6 GLU CB . 18734 1 36 . 1 1 6 6 GLU CG C 13 33.508 0.098 . 1 . . . A 6 GLU CG . 18734 1 37 . 1 1 6 6 GLU N N 15 121.376 0.148 . 1 . . . A 6 GLU N . 18734 1 38 . 1 1 7 7 PRO HA H 1 4.464 0.005 . 1 . . . A 7 PRO HA . 18734 1 39 . 1 1 7 7 PRO HB2 H 1 2.200 0.005 . 1 . . . A 7 PRO HB2 . 18734 1 40 . 1 1 7 7 PRO HB3 H 1 1.922 0.005 . 1 . . . A 7 PRO HB3 . 18734 1 41 . 1 1 7 7 PRO HG2 H 1 1.996 0.005 . 1 . . . A 7 PRO HG2 . 18734 1 42 . 1 1 7 7 PRO HG3 H 1 1.966 0.005 . 1 . . . A 7 PRO HG3 . 18734 1 43 . 1 1 7 7 PRO HD2 H 1 3.778 0.005 . 1 . . . A 7 PRO HD2 . 18734 1 44 . 1 1 7 7 PRO HD3 H 1 3.690 0.005 . 1 . . . A 7 PRO HD3 . 18734 1 45 . 1 1 7 7 PRO CA C 13 60.517 0.098 . 1 . . . A 7 PRO CA . 18734 1 46 . 1 1 7 7 PRO CB C 13 29.486 0.098 . 1 . . . A 7 PRO CB . 18734 1 47 . 1 1 7 7 PRO CG C 13 25.093 0.098 . 1 . . . A 7 PRO CG . 18734 1 48 . 1 1 7 7 PRO CD C 13 47.932 0.098 . 1 . . . A 7 PRO CD . 18734 1 49 . 1 1 8 8 VAL H H 1 8.177 0.005 . 1 . . . A 8 VAL H . 18734 1 50 . 1 1 8 8 VAL HA H 1 4.387 0.005 . 1 . . . A 8 VAL HA . 18734 1 51 . 1 1 8 8 VAL HB H 1 1.933 0.005 . 1 . . . A 8 VAL HB . 18734 1 52 . 1 1 8 8 VAL HG11 H 1 0.829 0.005 . 1 . . . A 8 VAL QQG . 18734 1 53 . 1 1 8 8 VAL HG12 H 1 0.829 0.005 . 1 . . . A 8 VAL QQG . 18734 1 54 . 1 1 8 8 VAL HG13 H 1 0.829 0.005 . 1 . . . A 8 VAL QQG . 18734 1 55 . 1 1 8 8 VAL HG21 H 1 0.829 0.005 . 1 . . . A 8 VAL QQG . 18734 1 56 . 1 1 8 8 VAL HG22 H 1 0.829 0.005 . 1 . . . A 8 VAL QQG . 18734 1 57 . 1 1 8 8 VAL HG23 H 1 0.829 0.005 . 1 . . . A 8 VAL QQG . 18734 1 58 . 1 1 8 8 VAL CA C 13 58.483 0.098 . 1 . . . A 8 VAL CA . 18734 1 59 . 1 1 8 8 VAL CB C 13 31.177 0.098 . 1 . . . A 8 VAL CB . 18734 1 60 . 1 1 8 8 VAL CG1 C 13 18.625 0.098 . 1 . . . A 8 VAL CG1 . 18734 1 61 . 1 1 8 8 VAL CG2 C 13 18.477 0.098 . 1 . . . A 8 VAL CG2 . 18734 1 62 . 1 1 8 8 VAL N N 15 120.493 0.148 . 1 . . . A 8 VAL N . 18734 1 63 . 1 1 9 9 VAL H H 1 8.246 0.005 . 1 . . . A 9 VAL H . 18734 1 64 . 1 1 9 9 VAL HA H 1 4.024 0.005 . 1 . . . A 9 VAL HA . 18734 1 65 . 1 1 9 9 VAL HB H 1 2.015 0.005 . 1 . . . A 9 VAL HB . 18734 1 66 . 1 1 9 9 VAL HG11 H 1 0.822 0.005 . 1 . . . A 9 VAL QG1 . 18734 1 67 . 1 1 9 9 VAL HG12 H 1 0.822 0.005 . 1 . . . A 9 VAL QG1 . 18734 1 68 . 1 1 9 9 VAL HG13 H 1 0.822 0.005 . 1 . . . A 9 VAL QG1 . 18734 1 69 . 1 1 9 9 VAL HG21 H 1 0.935 0.005 . 1 . . . A 9 VAL QG2 . 18734 1 70 . 1 1 9 9 VAL HG22 H 1 0.935 0.005 . 1 . . . A 9 VAL QG2 . 18734 1 71 . 1 1 9 9 VAL HG23 H 1 0.935 0.005 . 1 . . . A 9 VAL QG2 . 18734 1 72 . 1 1 9 9 VAL CA C 13 60.336 0.098 . 1 . . . A 9 VAL CA . 18734 1 73 . 1 1 9 9 VAL CB C 13 29.995 0.098 . 1 . . . A 9 VAL CB . 18734 1 74 . 1 1 9 9 VAL CG1 C 13 18.935 0.098 . 1 . . . A 9 VAL CG1 . 18734 1 75 . 1 1 9 9 VAL CG2 C 13 19.479 0.098 . 1 . . . A 9 VAL CG2 . 18734 1 76 . 1 1 9 9 VAL N N 15 124.516 0.148 . 1 . . . A 9 VAL N . 18734 1 77 . 1 1 10 10 GLY H H 1 8.595 0.005 . 1 . . . A 10 GLY H . 18734 1 78 . 1 1 10 10 GLY HA2 H 1 3.776 0.005 . 1 . . . A 10 GLY HA2 . 18734 1 79 . 1 1 10 10 GLY HA3 H 1 4.139 0.005 . 1 . . . A 10 GLY HA3 . 18734 1 80 . 1 1 10 10 GLY CA C 13 42.318 0.098 . 1 . . . A 10 GLY CA . 18734 1 81 . 1 1 10 10 GLY N N 15 114.968 0.148 . 1 . . . A 10 GLY N . 18734 1 82 . 1 1 11 11 MET H H 1 8.320 0.005 . 1 . . . A 11 MET H . 18734 1 83 . 1 1 11 11 MET HB2 H 1 1.994 0.005 . 1 . . . A 11 MET QB . 18734 1 84 . 1 1 11 11 MET HB3 H 1 1.994 0.005 . 1 . . . A 11 MET QB . 18734 1 85 . 1 1 11 11 MET HG2 H 1 2.549 0.005 . 1 . . . A 11 MET HG2 . 18734 1 86 . 1 1 11 11 MET HG3 H 1 2.449 0.005 . 1 . . . A 11 MET HG3 . 18734 1 87 . 1 1 11 11 MET HE1 H 1 2.046 0.005 . 1 . . . A 11 MET QE . 18734 1 88 . 1 1 11 11 MET HE2 H 1 2.046 0.005 . 1 . . . A 11 MET QE . 18734 1 89 . 1 1 11 11 MET HE3 H 1 2.046 0.005 . 1 . . . A 11 MET QE . 18734 1 90 . 1 1 11 11 MET CA C 13 53.802 0.098 . 1 . . . A 11 MET CA . 18734 1 91 . 1 1 11 11 MET CB C 13 30.698 0.098 . 1 . . . A 11 MET CB . 18734 1 92 . 1 1 11 11 MET CG C 13 29.557 0.098 . 1 . . . A 11 MET CG . 18734 1 93 . 1 1 11 11 MET CE C 13 14.651 0.098 . 1 . . . A 11 MET CE . 18734 1 94 . 1 1 11 11 MET N N 15 120.532 0.148 . 1 . . . A 11 MET N . 18734 1 95 . 1 1 12 12 ASP H H 1 8.261 0.005 . 1 . . . A 12 ASP H . 18734 1 96 . 1 1 12 12 ASP HA H 1 4.637 0.005 . 1 . . . A 12 ASP HA . 18734 1 97 . 1 1 12 12 ASP HB2 H 1 2.746 0.005 . 1 . . . A 12 ASP HB2 . 18734 1 98 . 1 1 12 12 ASP HB3 H 1 2.478 0.005 . 1 . . . A 12 ASP HB3 . 18734 1 99 . 1 1 12 12 ASP CB C 13 38.090 0.098 . 1 . . . A 12 ASP CB . 18734 1 100 . 1 1 12 12 ASP N N 15 120.515 0.148 . 1 . . . A 12 ASP N . 18734 1 101 . 1 1 13 13 LYS H H 1 8.579 0.005 . 1 . . . A 13 LYS H . 18734 1 102 . 1 1 13 13 LYS HA H 1 4.623 0.005 . 1 . . . A 13 LYS HA . 18734 1 103 . 1 1 13 13 LYS HB2 H 1 1.817 0.005 . 1 . . . A 13 LYS HB2 . 18734 1 104 . 1 1 13 13 LYS HB3 H 1 2.013 0.005 . 1 . . . A 13 LYS HB3 . 18734 1 105 . 1 1 13 13 LYS HG2 H 1 1.353 0.005 . 1 . . . A 13 LYS HG2 . 18734 1 106 . 1 1 13 13 LYS HG3 H 1 1.543 0.005 . 1 . . . A 13 LYS HG3 . 18734 1 107 . 1 1 13 13 LYS HD2 H 1 1.670 0.005 . 1 . . . A 13 LYS HD2 . 18734 1 108 . 1 1 13 13 LYS HD3 H 1 1.622 0.005 . 1 . . . A 13 LYS HD3 . 18734 1 109 . 1 1 13 13 LYS HE2 H 1 2.800 0.005 . 1 . . . A 13 LYS QE . 18734 1 110 . 1 1 13 13 LYS HE3 H 1 2.800 0.005 . 1 . . . A 13 LYS QE . 18734 1 111 . 1 1 13 13 LYS CA C 13 50.898 0.098 . 1 . . . A 13 LYS CA . 18734 1 112 . 1 1 13 13 LYS CB C 13 30.003 0.098 . 1 . . . A 13 LYS CB . 18734 1 113 . 1 1 13 13 LYS CG C 13 23.164 0.098 . 1 . . . A 13 LYS CG . 18734 1 114 . 1 1 13 13 LYS CD C 13 26.774 0.098 . 1 . . . A 13 LYS CD . 18734 1 115 . 1 1 13 13 LYS CE C 13 39.731 0.098 . 1 . . . A 13 LYS CE . 18734 1 116 . 1 1 13 13 LYS N N 15 123.685 0.148 . 1 . . . A 13 LYS N . 18734 1 117 . 1 1 14 14 SER H H 1 8.507 0.005 . 1 . . . A 14 SER H . 18734 1 118 . 1 1 14 14 SER HA H 1 4.447 0.005 . 1 . . . A 14 SER HA . 18734 1 119 . 1 1 14 14 SER HB2 H 1 3.938 0.005 . 1 . . . A 14 SER HB2 . 18734 1 120 . 1 1 14 14 SER HB3 H 1 3.815 0.005 . 1 . . . A 14 SER HB3 . 18734 1 121 . 1 1 14 14 SER CA C 13 56.917 0.098 . 1 . . . A 14 SER CA . 18734 1 122 . 1 1 14 14 SER CB C 13 61.536 0.098 . 1 . . . A 14 SER CB . 18734 1 123 . 1 1 14 14 SER N N 15 115.048 0.148 . 1 . . . A 14 SER N . 18734 1 124 . 1 1 15 15 LEU H H 1 6.908 0.005 . 1 . . . A 15 LEU H . 18734 1 125 . 1 1 15 15 LEU HA H 1 3.989 0.005 . 1 . . . A 15 LEU HA . 18734 1 126 . 1 1 15 15 LEU HB2 H 1 1.137 0.005 . 1 . . . A 15 LEU HB2 . 18734 1 127 . 1 1 15 15 LEU HB3 H 1 1.023 0.005 . 1 . . . A 15 LEU HB3 . 18734 1 128 . 1 1 15 15 LEU HG H 1 1.221 0.005 . 1 . . . A 15 LEU HG . 18734 1 129 . 1 1 15 15 LEU HD11 H 1 0.637 0.005 . 1 . . . A 15 LEU QD1 . 18734 1 130 . 1 1 15 15 LEU HD12 H 1 0.637 0.005 . 1 . . . A 15 LEU QD1 . 18734 1 131 . 1 1 15 15 LEU HD13 H 1 0.637 0.005 . 1 . . . A 15 LEU QD1 . 18734 1 132 . 1 1 15 15 LEU HD21 H 1 0.734 0.005 . 1 . . . A 15 LEU QD2 . 18734 1 133 . 1 1 15 15 LEU HD22 H 1 0.734 0.005 . 1 . . . A 15 LEU QD2 . 18734 1 134 . 1 1 15 15 LEU HD23 H 1 0.734 0.005 . 1 . . . A 15 LEU QD2 . 18734 1 135 . 1 1 15 15 LEU CA C 13 53.219 0.098 . 1 . . . A 15 LEU CA . 18734 1 136 . 1 1 15 15 LEU CB C 13 39.813 0.098 . 1 . . . A 15 LEU CB . 18734 1 137 . 1 1 15 15 LEU CG C 13 23.958 0.098 . 1 . . . A 15 LEU CG . 18734 1 138 . 1 1 15 15 LEU CD1 C 13 20.571 0.098 . 1 . . . A 15 LEU CD1 . 18734 1 139 . 1 1 15 15 LEU CD2 C 13 22.415 0.098 . 1 . . . A 15 LEU CD2 . 18734 1 140 . 1 1 15 15 LEU N N 15 119.294 0.148 . 1 . . . A 15 LEU N . 18734 1 141 . 1 1 16 16 PHE H H 1 7.658 0.005 . 1 . . . A 16 PHE H . 18734 1 142 . 1 1 16 16 PHE HA H 1 4.397 0.005 . 1 . . . A 16 PHE HA . 18734 1 143 . 1 1 16 16 PHE HB2 H 1 2.780 0.005 . 1 . . . A 16 PHE HB2 . 18734 1 144 . 1 1 16 16 PHE HB3 H 1 3.167 0.005 . 1 . . . A 16 PHE HB3 . 18734 1 145 . 1 1 16 16 PHE HD1 H 1 7.009 0.005 . 1 . . . A 16 PHE HD1 . 18734 1 146 . 1 1 16 16 PHE HE1 H 1 7.239 0.005 . 1 . . . A 16 PHE HE1 . 18734 1 147 . 1 1 16 16 PHE HZ H 1 7.306 0.005 . 1 . . . A 16 PHE HZ . 18734 1 148 . 1 1 16 16 PHE CA C 13 56.719 0.098 . 1 . . . A 16 PHE CA . 18734 1 149 . 1 1 16 16 PHE CB C 13 37.917 0.098 . 1 . . . A 16 PHE CB . 18734 1 150 . 1 1 16 16 PHE CD2 C 13 128.762 0.098 . 1 . . . A 16 PHE CD2 . 18734 1 151 . 1 1 16 16 PHE CE2 C 13 128.810 0.098 . 1 . . . A 16 PHE CE2 . 18734 1 152 . 1 1 16 16 PHE CZ C 13 127.626 0.098 . 1 . . . A 16 PHE CZ . 18734 1 153 . 1 1 16 16 PHE N N 15 117.103 0.148 . 1 . . . A 16 PHE N . 18734 1 154 . 1 1 17 17 ALA H H 1 7.514 0.005 . 1 . . . A 17 ALA H . 18734 1 155 . 1 1 17 17 ALA HA H 1 3.964 0.005 . 1 . . . A 17 ALA HA . 18734 1 156 . 1 1 17 17 ALA HB1 H 1 1.305 0.005 . 1 . . . A 17 ALA QB . 18734 1 157 . 1 1 17 17 ALA HB2 H 1 1.305 0.005 . 1 . . . A 17 ALA QB . 18734 1 158 . 1 1 17 17 ALA HB3 H 1 1.305 0.005 . 1 . . . A 17 ALA QB . 18734 1 159 . 1 1 17 17 ALA CA C 13 51.840 0.098 . 1 . . . A 17 ALA CA . 18734 1 160 . 1 1 17 17 ALA CB C 13 15.004 0.098 . 1 . . . A 17 ALA CB . 18734 1 161 . 1 1 17 17 ALA N N 15 120.694 0.148 . 1 . . . A 17 ALA N . 18734 1 162 . 1 1 18 18 GLY H H 1 8.204 0.005 . 1 . . . A 18 GLY H . 18734 1 163 . 1 1 18 18 GLY HA2 H 1 3.497 0.005 . 1 . . . A 18 GLY HA2 . 18734 1 164 . 1 1 18 18 GLY HA3 H 1 4.145 0.005 . 1 . . . A 18 GLY HA3 . 18734 1 165 . 1 1 18 18 GLY CA C 13 43.150 0.098 . 1 . . . A 18 GLY CA . 18734 1 166 . 1 1 18 18 GLY N N 15 110.007 0.148 . 1 . . . A 18 GLY N . 18734 1 167 . 1 1 19 19 ASN H H 1 8.124 0.005 . 1 . . . A 19 ASN H . 18734 1 168 . 1 1 19 19 ASN HA H 1 4.733 0.005 . 1 . . . A 19 ASN HA . 18734 1 169 . 1 1 19 19 ASN HB2 H 1 3.319 0.005 . 1 . . . A 19 ASN HB2 . 18734 1 170 . 1 1 19 19 ASN HB3 H 1 2.760 0.005 . 1 . . . A 19 ASN HB3 . 18734 1 171 . 1 1 19 19 ASN HD21 H 1 7.189 0.005 . 1 . . . A 19 ASN HD21 . 18734 1 172 . 1 1 19 19 ASN HD22 H 1 8.026 0.005 . 1 . . . A 19 ASN HD22 . 18734 1 173 . 1 1 19 19 ASN CB C 13 36.020 0.098 . 1 . . . A 19 ASN CB . 18734 1 174 . 1 1 19 19 ASN N N 15 119.323 0.148 . 1 . . . A 19 ASN N . 18734 1 175 . 1 1 19 19 ASN ND2 N 15 113.566 0.148 . 1 . . . A 19 ASN ND2 . 18734 1 176 . 1 1 20 20 THR H H 1 8.400 0.005 . 1 . . . A 20 THR H . 18734 1 177 . 1 1 20 20 THR HA H 1 4.243 0.005 . 1 . . . A 20 THR HA . 18734 1 178 . 1 1 20 20 THR HB H 1 4.534 0.005 . 1 . . . A 20 THR HB . 18734 1 179 . 1 1 20 20 THR HG21 H 1 1.365 0.005 . 1 . . . A 20 THR QG2 . 18734 1 180 . 1 1 20 20 THR HG22 H 1 1.365 0.005 . 1 . . . A 20 THR QG2 . 18734 1 181 . 1 1 20 20 THR HG23 H 1 1.365 0.005 . 1 . . . A 20 THR QG2 . 18734 1 182 . 1 1 20 20 THR CA C 13 60.224 0.098 . 1 . . . A 20 THR CA . 18734 1 183 . 1 1 20 20 THR CB C 13 66.167 0.098 . 1 . . . A 20 THR CB . 18734 1 184 . 1 1 20 20 THR CG2 C 13 19.576 0.098 . 1 . . . A 20 THR CG2 . 18734 1 185 . 1 1 20 20 THR N N 15 116.844 0.148 . 1 . . . A 20 THR N . 18734 1 186 . 1 1 21 21 VAL H H 1 8.412 0.005 . 1 . . . A 21 VAL H . 18734 1 187 . 1 1 21 21 VAL HA H 1 4.161 0.005 . 1 . . . A 21 VAL HA . 18734 1 188 . 1 1 21 21 VAL HB H 1 2.080 0.005 . 1 . . . A 21 VAL HB . 18734 1 189 . 1 1 21 21 VAL HG11 H 1 0.860 0.005 . 1 . . . A 21 VAL QQG . 18734 1 190 . 1 1 21 21 VAL HG12 H 1 0.860 0.005 . 1 . . . A 21 VAL QQG . 18734 1 191 . 1 1 21 21 VAL HG13 H 1 0.860 0.005 . 1 . . . A 21 VAL QQG . 18734 1 192 . 1 1 21 21 VAL HG21 H 1 0.860 0.005 . 1 . . . A 21 VAL QQG . 18734 1 193 . 1 1 21 21 VAL HG22 H 1 0.860 0.005 . 1 . . . A 21 VAL QQG . 18734 1 194 . 1 1 21 21 VAL HG23 H 1 0.860 0.005 . 1 . . . A 21 VAL QQG . 18734 1 195 . 1 1 21 21 VAL CA C 13 59.739 0.098 . 1 . . . A 21 VAL CA . 18734 1 196 . 1 1 21 21 VAL CB C 13 31.224 0.098 . 1 . . . A 21 VAL CB . 18734 1 197 . 1 1 21 21 VAL CG1 C 13 18.356 0.098 . 1 . . . A 21 VAL CG1 . 18734 1 198 . 1 1 21 21 VAL CG2 C 13 18.354 0.098 . 1 . . . A 21 VAL CG2 . 18734 1 199 . 1 1 21 21 VAL N N 15 117.661 0.148 . 1 . . . A 21 VAL N . 18734 1 200 . 1 1 22 22 ILE H H 1 7.300 0.005 . 1 . . . A 22 ILE H . 18734 1 201 . 1 1 22 22 ILE HA H 1 3.873 0.005 . 1 . . . A 22 ILE HA . 18734 1 202 . 1 1 22 22 ILE HB H 1 1.612 0.005 . 1 . . . A 22 ILE HB . 18734 1 203 . 1 1 22 22 ILE HG12 H 1 1.518 0.005 . 1 . . . A 22 ILE HG12 . 18734 1 204 . 1 1 22 22 ILE HG13 H 1 0.994 0.005 . 1 . . . A 22 ILE HG13 . 18734 1 205 . 1 1 22 22 ILE HG21 H 1 0.893 0.005 . 1 . . . A 22 ILE QG2 . 18734 1 206 . 1 1 22 22 ILE HG22 H 1 0.893 0.005 . 1 . . . A 22 ILE QG2 . 18734 1 207 . 1 1 22 22 ILE HG23 H 1 0.893 0.005 . 1 . . . A 22 ILE QG2 . 18734 1 208 . 1 1 22 22 ILE HD11 H 1 0.996 0.005 . 1 . . . A 22 ILE QD1 . 18734 1 209 . 1 1 22 22 ILE HD12 H 1 0.996 0.005 . 1 . . . A 22 ILE QD1 . 18734 1 210 . 1 1 22 22 ILE HD13 H 1 0.996 0.005 . 1 . . . A 22 ILE QD1 . 18734 1 211 . 1 1 22 22 ILE CA C 13 59.860 0.098 . 1 . . . A 22 ILE CA . 18734 1 212 . 1 1 22 22 ILE CB C 13 37.052 0.098 . 1 . . . A 22 ILE CB . 18734 1 213 . 1 1 22 22 ILE CG1 C 13 25.621 0.098 . 1 . . . A 22 ILE CG1 . 18734 1 214 . 1 1 22 22 ILE CG2 C 13 14.621 0.098 . 1 . . . A 22 ILE CG2 . 18734 1 215 . 1 1 22 22 ILE CD1 C 13 12.437 0.098 . 1 . . . A 22 ILE CD1 . 18734 1 216 . 1 1 22 22 ILE N N 15 120.465 0.148 . 1 . . . A 22 ILE N . 18734 1 217 . 1 1 23 23 ARG H H 1 8.328 0.005 . 1 . . . A 23 ARG H . 18734 1 218 . 1 1 23 23 ARG HA H 1 4.940 0.005 . 1 . . . A 23 ARG HA . 18734 1 219 . 1 1 23 23 ARG HB2 H 1 1.860 0.005 . 1 . . . A 23 ARG HB2 . 18734 1 220 . 1 1 23 23 ARG HB3 H 1 1.620 0.005 . 1 . . . A 23 ARG HB3 . 18734 1 221 . 1 1 23 23 ARG HG2 H 1 1.602 0.005 . 1 . . . A 23 ARG HG2 . 18734 1 222 . 1 1 23 23 ARG HG3 H 1 1.789 0.005 . 1 . . . A 23 ARG HG3 . 18734 1 223 . 1 1 23 23 ARG HD2 H 1 3.194 0.005 . 1 . . . A 23 ARG HD2 . 18734 1 224 . 1 1 23 23 ARG HD3 H 1 3.143 0.005 . 1 . . . A 23 ARG HD3 . 18734 1 225 . 1 1 23 23 ARG CA C 13 54.175 0.098 . 1 . . . A 23 ARG CA . 18734 1 226 . 1 1 23 23 ARG CB C 13 30.921 0.098 . 1 . . . A 23 ARG CB . 18734 1 227 . 1 1 23 23 ARG CG C 13 25.204 0.098 . 1 . . . A 23 ARG CG . 18734 1 228 . 1 1 23 23 ARG CD C 13 41.133 0.098 . 1 . . . A 23 ARG CD . 18734 1 229 . 1 1 23 23 ARG N N 15 122.168 0.148 . 1 . . . A 23 ARG N . 18734 1 230 . 1 1 24 24 GLU H H 1 7.474 0.005 . 1 . . . A 24 GLU H . 18734 1 231 . 1 1 24 24 GLU HA H 1 5.100 0.005 . 1 . . . A 24 GLU HA . 18734 1 232 . 1 1 24 24 GLU HB2 H 1 1.816 0.005 . 1 . . . A 24 GLU HB2 . 18734 1 233 . 1 1 24 24 GLU HB3 H 1 1.691 0.005 . 1 . . . A 24 GLU HB3 . 18734 1 234 . 1 1 24 24 GLU HG2 H 1 1.996 0.005 . 1 . . . A 24 GLU QG . 18734 1 235 . 1 1 24 24 GLU HG3 H 1 1.996 0.005 . 1 . . . A 24 GLU QG . 18734 1 236 . 1 1 24 24 GLU CA C 13 51.948 0.098 . 1 . . . A 24 GLU CA . 18734 1 237 . 1 1 24 24 GLU CB C 13 30.737 0.098 . 1 . . . A 24 GLU CB . 18734 1 238 . 1 1 24 24 GLU CG C 13 33.258 0.098 . 1 . . . A 24 GLU CG . 18734 1 239 . 1 1 24 24 GLU N N 15 117.968 0.148 . 1 . . . A 24 GLU N . 18734 1 240 . 1 1 25 25 ILE H H 1 7.591 0.005 . 1 . . . A 25 ILE H . 18734 1 241 . 1 1 25 25 ILE HA H 1 4.205 0.005 . 1 . . . A 25 ILE HA . 18734 1 242 . 1 1 25 25 ILE HB H 1 0.950 0.005 . 1 . . . A 25 ILE HB . 18734 1 243 . 1 1 25 25 ILE HG12 H 1 1.000 0.005 . 1 . . . A 25 ILE HG12 . 18734 1 244 . 1 1 25 25 ILE HG13 H 1 0.560 0.005 . 1 . . . A 25 ILE HG13 . 18734 1 245 . 1 1 25 25 ILE HG21 H 1 0.301 0.005 . 1 . . . A 25 ILE QG2 . 18734 1 246 . 1 1 25 25 ILE HG22 H 1 0.301 0.005 . 1 . . . A 25 ILE QG2 . 18734 1 247 . 1 1 25 25 ILE HG23 H 1 0.301 0.005 . 1 . . . A 25 ILE QG2 . 18734 1 248 . 1 1 25 25 ILE HD11 H 1 0.145 0.005 . 1 . . . A 25 ILE QD1 . 18734 1 249 . 1 1 25 25 ILE HD12 H 1 0.145 0.005 . 1 . . . A 25 ILE QD1 . 18734 1 250 . 1 1 25 25 ILE HD13 H 1 0.145 0.005 . 1 . . . A 25 ILE QD1 . 18734 1 251 . 1 1 25 25 ILE CA C 13 57.149 0.098 . 1 . . . A 25 ILE CA . 18734 1 252 . 1 1 25 25 ILE CB C 13 39.882 0.098 . 1 . . . A 25 ILE CB . 18734 1 253 . 1 1 25 25 ILE CG1 C 13 25.322 0.098 . 1 . . . A 25 ILE CG1 . 18734 1 254 . 1 1 25 25 ILE CG2 C 13 14.831 0.098 . 1 . . . A 25 ILE CG2 . 18734 1 255 . 1 1 25 25 ILE CD1 C 13 12.298 0.098 . 1 . . . A 25 ILE CD1 . 18734 1 256 . 1 1 25 25 ILE N N 15 121.135 0.148 . 1 . . . A 25 ILE N . 18734 1 257 . 1 1 26 26 THR H H 1 8.243 0.005 . 1 . . . A 26 THR H . 18734 1 258 . 1 1 26 26 THR HA H 1 4.999 0.005 . 1 . . . A 26 THR HA . 18734 1 259 . 1 1 26 26 THR HB H 1 3.804 0.005 . 1 . . . A 26 THR HB . 18734 1 260 . 1 1 26 26 THR HG21 H 1 0.975 0.005 . 1 . . . A 26 THR QG2 . 18734 1 261 . 1 1 26 26 THR HG22 H 1 0.975 0.005 . 1 . . . A 26 THR QG2 . 18734 1 262 . 1 1 26 26 THR HG23 H 1 0.975 0.005 . 1 . . . A 26 THR QG2 . 18734 1 263 . 1 1 26 26 THR CA C 13 59.185 0.098 . 1 . . . A 26 THR CA . 18734 1 264 . 1 1 26 26 THR CB C 13 67.259 0.098 . 1 . . . A 26 THR CB . 18734 1 265 . 1 1 26 26 THR CG2 C 13 19.336 0.098 . 1 . . . A 26 THR CG2 . 18734 1 266 . 1 1 26 26 THR N N 15 122.935 0.148 . 1 . . . A 26 THR N . 18734 1 267 . 1 1 27 27 VAL H H 1 9.216 0.005 . 1 . . . A 27 VAL H . 18734 1 268 . 1 1 27 27 VAL HA H 1 4.421 0.005 . 1 . . . A 27 VAL HA . 18734 1 269 . 1 1 27 27 VAL HB H 1 2.158 0.005 . 1 . . . A 27 VAL HB . 18734 1 270 . 1 1 27 27 VAL HG11 H 1 1.187 0.005 . 1 . . . A 27 VAL QG1 . 18734 1 271 . 1 1 27 27 VAL HG12 H 1 1.187 0.005 . 1 . . . A 27 VAL QG1 . 18734 1 272 . 1 1 27 27 VAL HG13 H 1 1.187 0.005 . 1 . . . A 27 VAL QG1 . 18734 1 273 . 1 1 27 27 VAL HG21 H 1 0.692 0.005 . 1 . . . A 27 VAL QG2 . 18734 1 274 . 1 1 27 27 VAL HG22 H 1 0.692 0.005 . 1 . . . A 27 VAL QG2 . 18734 1 275 . 1 1 27 27 VAL HG23 H 1 0.692 0.005 . 1 . . . A 27 VAL QG2 . 18734 1 276 . 1 1 27 27 VAL CA C 13 58.144 0.098 . 1 . . . A 27 VAL CA . 18734 1 277 . 1 1 27 27 VAL CB C 13 30.727 0.098 . 1 . . . A 27 VAL CB . 18734 1 278 . 1 1 27 27 VAL CG1 C 13 20.288 0.098 . 1 . . . A 27 VAL CG1 . 18734 1 279 . 1 1 27 27 VAL CG2 C 13 18.899 0.098 . 1 . . . A 27 VAL CG2 . 18734 1 280 . 1 1 27 27 VAL N N 15 124.220 0.148 . 1 . . . A 27 VAL N . 18734 1 281 . 1 1 28 28 GLN H H 1 8.782 0.005 . 1 . . . A 28 GLN H . 18734 1 282 . 1 1 28 28 GLN HA H 1 4.702 0.005 . 1 . . . A 28 GLN HA . 18734 1 283 . 1 1 28 28 GLN HB2 H 1 2.130 0.005 . 1 . . . A 28 GLN HB2 . 18734 1 284 . 1 1 28 28 GLN HB3 H 1 1.911 0.005 . 1 . . . A 28 GLN HB3 . 18734 1 285 . 1 1 28 28 GLN HG2 H 1 2.391 0.005 . 1 . . . A 28 GLN QG . 18734 1 286 . 1 1 28 28 GLN HG3 H 1 2.391 0.005 . 1 . . . A 28 GLN QG . 18734 1 287 . 1 1 28 28 GLN HE21 H 1 6.872 0.005 . 1 . . . A 28 GLN HE21 . 18734 1 288 . 1 1 28 28 GLN HE22 H 1 7.469 0.005 . 1 . . . A 28 GLN HE22 . 18734 1 289 . 1 1 28 28 GLN CB C 13 25.480 0.098 . 1 . . . A 28 GLN CB . 18734 1 290 . 1 1 28 28 GLN CG C 13 31.181 0.098 . 1 . . . A 28 GLN CG . 18734 1 291 . 1 1 28 28 GLN N N 15 129.280 0.148 . 1 . . . A 28 GLN N . 18734 1 292 . 1 1 28 28 GLN NE2 N 15 112.261 0.148 . 1 . . . A 28 GLN NE2 . 18734 1 293 . 1 1 29 29 PRO HA H 1 3.457 0.005 . 1 . . . A 29 PRO HA . 18734 1 294 . 1 1 29 29 PRO HB2 H 1 1.677 0.005 . 1 . . . A 29 PRO QB . 18734 1 295 . 1 1 29 29 PRO HB3 H 1 1.677 0.005 . 1 . . . A 29 PRO QB . 18734 1 296 . 1 1 29 29 PRO HG2 H 1 1.775 0.005 . 1 . . . A 29 PRO HG2 . 18734 1 297 . 1 1 29 29 PRO HG3 H 1 1.909 0.005 . 1 . . . A 29 PRO HG3 . 18734 1 298 . 1 1 29 29 PRO HD2 H 1 3.668 0.005 . 1 . . . A 29 PRO HD2 . 18734 1 299 . 1 1 29 29 PRO HD3 H 1 3.542 0.005 . 1 . . . A 29 PRO HD3 . 18734 1 300 . 1 1 29 29 PRO CA C 13 60.712 0.098 . 1 . . . A 29 PRO CA . 18734 1 301 . 1 1 29 29 PRO CB C 13 30.122 0.098 . 1 . . . A 29 PRO CB . 18734 1 302 . 1 1 29 29 PRO CG C 13 25.073 0.098 . 1 . . . A 29 PRO CG . 18734 1 303 . 1 1 29 29 PRO CD C 13 47.739 0.098 . 1 . . . A 29 PRO CD . 18734 1 304 . 1 1 30 30 ASN H H 1 8.199 0.005 . 1 . . . A 30 ASN H . 18734 1 305 . 1 1 30 30 ASN HA H 1 4.329 0.005 . 1 . . . A 30 ASN HA . 18734 1 306 . 1 1 30 30 ASN HB2 H 1 2.810 0.005 . 1 . . . A 30 ASN QB . 18734 1 307 . 1 1 30 30 ASN HB3 H 1 2.810 0.005 . 1 . . . A 30 ASN QB . 18734 1 308 . 1 1 30 30 ASN HD21 H 1 6.836 0.005 . 1 . . . A 30 ASN HD21 . 18734 1 309 . 1 1 30 30 ASN HD22 H 1 7.559 0.005 . 1 . . . A 30 ASN HD22 . 18734 1 310 . 1 1 30 30 ASN CA C 13 51.999 0.098 . 1 . . . A 30 ASN CA . 18734 1 311 . 1 1 30 30 ASN CB C 13 34.627 0.098 . 1 . . . A 30 ASN CB . 18734 1 312 . 1 1 30 30 ASN N N 15 113.396 0.148 . 1 . . . A 30 ASN N . 18734 1 313 . 1 1 30 30 ASN ND2 N 15 113.229 0.148 . 1 . . . A 30 ASN ND2 . 18734 1 314 . 1 1 31 31 ILE H H 1 8.201 0.005 . 1 . . . A 31 ILE H . 18734 1 315 . 1 1 31 31 ILE HA H 1 4.395 0.005 . 1 . . . A 31 ILE HA . 18734 1 316 . 1 1 31 31 ILE HB H 1 2.018 0.005 . 1 . . . A 31 ILE HB . 18734 1 317 . 1 1 31 31 ILE HG12 H 1 1.325 0.005 . 1 . . . A 31 ILE HG12 . 18734 1 318 . 1 1 31 31 ILE HG13 H 1 1.392 0.005 . 1 . . . A 31 ILE HG13 . 18734 1 319 . 1 1 31 31 ILE HG21 H 1 0.906 0.005 . 1 . . . A 31 ILE QG2 . 18734 1 320 . 1 1 31 31 ILE HG22 H 1 0.906 0.005 . 1 . . . A 31 ILE QG2 . 18734 1 321 . 1 1 31 31 ILE HG23 H 1 0.906 0.005 . 1 . . . A 31 ILE QG2 . 18734 1 322 . 1 1 31 31 ILE HD11 H 1 0.889 0.005 . 1 . . . A 31 ILE QD1 . 18734 1 323 . 1 1 31 31 ILE HD12 H 1 0.889 0.005 . 1 . . . A 31 ILE QD1 . 18734 1 324 . 1 1 31 31 ILE HD13 H 1 0.889 0.005 . 1 . . . A 31 ILE QD1 . 18734 1 325 . 1 1 31 31 ILE CA C 13 57.434 0.098 . 1 . . . A 31 ILE CA . 18734 1 326 . 1 1 31 31 ILE CB C 13 36.859 0.098 . 1 . . . A 31 ILE CB . 18734 1 327 . 1 1 31 31 ILE CG1 C 13 25.627 0.098 . 1 . . . A 31 ILE CG1 . 18734 1 328 . 1 1 31 31 ILE CG2 C 13 16.298 0.098 . 1 . . . A 31 ILE CG2 . 18734 1 329 . 1 1 31 31 ILE CD1 C 13 12.365 0.098 . 1 . . . A 31 ILE CD1 . 18734 1 330 . 1 1 31 31 ILE N N 15 115.907 0.148 . 1 . . . A 31 ILE N . 18734 1 331 . 1 1 32 32 GLY H H 1 7.998 0.005 . 1 . . . A 32 GLY H . 18734 1 332 . 1 1 32 32 GLY HA2 H 1 3.626 0.005 . 1 . . . A 32 GLY HA2 . 18734 1 333 . 1 1 32 32 GLY HA3 H 1 4.205 0.005 . 1 . . . A 32 GLY HA3 . 18734 1 334 . 1 1 32 32 GLY CA C 13 41.729 0.098 . 1 . . . A 32 GLY CA . 18734 1 335 . 1 1 32 32 GLY N N 15 111.217 0.148 . 1 . . . A 32 GLY N . 18734 1 336 . 1 1 33 33 LEU H H 1 7.820 0.005 . 1 . . . A 33 LEU H . 18734 1 337 . 1 1 33 33 LEU HA H 1 3.880 0.005 . 1 . . . A 33 LEU HA . 18734 1 338 . 1 1 33 33 LEU HB2 H 1 1.503 0.005 . 1 . . . A 33 LEU HB2 . 18734 1 339 . 1 1 33 33 LEU HB3 H 1 1.287 0.005 . 1 . . . A 33 LEU HB3 . 18734 1 340 . 1 1 33 33 LEU HG H 1 1.027 0.005 . 1 . . . A 33 LEU HG . 18734 1 341 . 1 1 33 33 LEU HD11 H 1 0.733 0.005 . 1 . . . A 33 LEU QD1 . 18734 1 342 . 1 1 33 33 LEU HD12 H 1 0.733 0.005 . 1 . . . A 33 LEU QD1 . 18734 1 343 . 1 1 33 33 LEU HD13 H 1 0.733 0.005 . 1 . . . A 33 LEU QD1 . 18734 1 344 . 1 1 33 33 LEU HD21 H 1 0.540 0.005 . 1 . . . A 33 LEU QD2 . 18734 1 345 . 1 1 33 33 LEU HD22 H 1 0.540 0.005 . 1 . . . A 33 LEU QD2 . 18734 1 346 . 1 1 33 33 LEU HD23 H 1 0.540 0.005 . 1 . . . A 33 LEU QD2 . 18734 1 347 . 1 1 33 33 LEU CA C 13 53.595 0.098 . 1 . . . A 33 LEU CA . 18734 1 348 . 1 1 33 33 LEU CB C 13 40.528 0.098 . 1 . . . A 33 LEU CB . 18734 1 349 . 1 1 33 33 LEU CG C 13 24.306 0.098 . 1 . . . A 33 LEU CG . 18734 1 350 . 1 1 33 33 LEU CD1 C 13 23.165 0.098 . 1 . . . A 33 LEU CD1 . 18734 1 351 . 1 1 33 33 LEU CD2 C 13 20.658 0.098 . 1 . . . A 33 LEU CD2 . 18734 1 352 . 1 1 33 33 LEU N N 15 120.007 0.148 . 1 . . . A 33 LEU N . 18734 1 353 . 1 1 34 34 LEU H H 1 8.551 0.005 . 1 . . . A 34 LEU H . 18734 1 354 . 1 1 34 34 LEU HA H 1 4.485 0.005 . 1 . . . A 34 LEU HA . 18734 1 355 . 1 1 34 34 LEU HB2 H 1 2.268 0.005 . 1 . . . A 34 LEU HB2 . 18734 1 356 . 1 1 34 34 LEU HB3 H 1 1.429 0.005 . 1 . . . A 34 LEU HB3 . 18734 1 357 . 1 1 34 34 LEU HG H 1 2.273 0.005 . 1 . . . A 34 LEU HG . 18734 1 358 . 1 1 34 34 LEU HD11 H 1 1.121 0.005 . 1 . . . A 34 LEU QD1 . 18734 1 359 . 1 1 34 34 LEU HD12 H 1 1.121 0.005 . 1 . . . A 34 LEU QD1 . 18734 1 360 . 1 1 34 34 LEU HD13 H 1 1.121 0.005 . 1 . . . A 34 LEU QD1 . 18734 1 361 . 1 1 34 34 LEU HD21 H 1 0.877 0.005 . 1 . . . A 34 LEU QD2 . 18734 1 362 . 1 1 34 34 LEU HD22 H 1 0.877 0.005 . 1 . . . A 34 LEU QD2 . 18734 1 363 . 1 1 34 34 LEU HD23 H 1 0.877 0.005 . 1 . . . A 34 LEU QD2 . 18734 1 364 . 1 1 34 34 LEU CA C 13 51.078 0.098 . 1 . . . A 34 LEU CA . 18734 1 365 . 1 1 34 34 LEU CB C 13 37.447 0.098 . 1 . . . A 34 LEU CB . 18734 1 366 . 1 1 34 34 LEU CG C 13 23.828 0.098 . 1 . . . A 34 LEU CG . 18734 1 367 . 1 1 34 34 LEU CD1 C 13 23.591 0.098 . 1 . . . A 34 LEU CD1 . 18734 1 368 . 1 1 34 34 LEU CD2 C 13 21.027 0.098 . 1 . . . A 34 LEU CD2 . 18734 1 369 . 1 1 34 34 LEU N N 15 128.106 0.148 . 1 . . . A 34 LEU N . 18734 1 370 . 1 1 35 35 TYR H H 1 6.363 0.005 . 1 . . . A 35 TYR H . 18734 1 371 . 1 1 35 35 TYR HA H 1 4.240 0.005 . 1 . . . A 35 TYR HA . 18734 1 372 . 1 1 35 35 TYR HB2 H 1 3.030 0.005 . 1 . . . A 35 TYR HB2 . 18734 1 373 . 1 1 35 35 TYR HB3 H 1 2.763 0.005 . 1 . . . A 35 TYR HB3 . 18734 1 374 . 1 1 35 35 TYR HD1 H 1 7.019 0.005 . 1 . . . A 35 TYR QD . 18734 1 375 . 1 1 35 35 TYR HD2 H 1 7.019 0.005 . 1 . . . A 35 TYR QD . 18734 1 376 . 1 1 35 35 TYR HE1 H 1 6.667 0.005 . 1 . . . A 35 TYR QE . 18734 1 377 . 1 1 35 35 TYR HE2 H 1 6.667 0.005 . 1 . . . A 35 TYR QE . 18734 1 378 . 1 1 35 35 TYR CA C 13 53.814 0.098 . 1 . . . A 35 TYR CA . 18734 1 379 . 1 1 35 35 TYR CB C 13 36.868 0.098 . 1 . . . A 35 TYR CB . 18734 1 380 . 1 1 35 35 TYR CD2 C 13 131.047 0.098 . 1 . . . A 35 TYR CD2 . 18734 1 381 . 1 1 35 35 TYR CE2 C 13 115.512 0.098 . 1 . . . A 35 TYR CE2 . 18734 1 382 . 1 1 35 35 TYR N N 15 121.473 0.148 . 1 . . . A 35 TYR N . 18734 1 383 . 1 1 36 36 ASP H H 1 8.573 0.005 . 1 . . . A 36 ASP H . 18734 1 384 . 1 1 36 36 ASP HA H 1 3.980 0.005 . 1 . . . A 36 ASP HA . 18734 1 385 . 1 1 36 36 ASP HB2 H 1 2.517 0.005 . 1 . . . A 36 ASP HB2 . 18734 1 386 . 1 1 36 36 ASP HB3 H 1 2.690 0.005 . 1 . . . A 36 ASP HB3 . 18734 1 387 . 1 1 36 36 ASP CA C 13 52.760 0.098 . 1 . . . A 36 ASP CA . 18734 1 388 . 1 1 36 36 ASP CB C 13 37.119 0.098 . 1 . . . A 36 ASP CB . 18734 1 389 . 1 1 36 36 ASP N N 15 119.590 0.148 . 1 . . . A 36 ASP N . 18734 1 390 . 1 1 37 37 GLY H H 1 7.903 0.005 . 1 . . . A 37 GLY H . 18734 1 391 . 1 1 37 37 GLY HA2 H 1 4.145 0.005 . 1 . . . A 37 GLY HA2 . 18734 1 392 . 1 1 37 37 GLY HA3 H 1 3.811 0.005 . 1 . . . A 37 GLY HA3 . 18734 1 393 . 1 1 37 37 GLY CA C 13 44.335 0.098 . 1 . . . A 37 GLY CA . 18734 1 394 . 1 1 37 37 GLY N N 15 108.636 0.148 . 1 . . . A 37 GLY N . 18734 1 395 . 1 1 38 38 MET H H 1 7.873 0.005 . 1 . . . A 38 MET H . 18734 1 396 . 1 1 38 38 MET HA H 1 3.631 0.005 . 1 . . . A 38 MET HA . 18734 1 397 . 1 1 38 38 MET HB2 H 1 0.828 0.005 . 1 . . . A 38 MET HB2 . 18734 1 398 . 1 1 38 38 MET HB3 H 1 1.402 0.005 . 1 . . . A 38 MET HB3 . 18734 1 399 . 1 1 38 38 MET HG2 H 1 1.002 0.005 . 1 . . . A 38 MET HG2 . 18734 1 400 . 1 1 38 38 MET HG3 H 1 1.586 0.005 . 1 . . . A 38 MET HG3 . 18734 1 401 . 1 1 38 38 MET HE1 H 1 1.781 0.005 . 1 . . . A 38 MET QE . 18734 1 402 . 1 1 38 38 MET HE2 H 1 1.781 0.005 . 1 . . . A 38 MET QE . 18734 1 403 . 1 1 38 38 MET HE3 H 1 1.781 0.005 . 1 . . . A 38 MET QE . 18734 1 404 . 1 1 38 38 MET CA C 13 56.101 0.098 . 1 . . . A 38 MET CA . 18734 1 405 . 1 1 38 38 MET CB C 13 29.166 0.098 . 1 . . . A 38 MET CB . 18734 1 406 . 1 1 38 38 MET CG C 13 28.691 0.098 . 1 . . . A 38 MET CG . 18734 1 407 . 1 1 38 38 MET CE C 13 14.738 0.098 . 1 . . . A 38 MET CE . 18734 1 408 . 1 1 38 38 MET N N 15 120.339 0.148 . 1 . . . A 38 MET N . 18734 1 409 . 1 1 39 39 PHE H H 1 8.504 0.005 . 1 . . . A 39 PHE H . 18734 1 410 . 1 1 39 39 PHE HA H 1 4.908 0.005 . 1 . . . A 39 PHE HA . 18734 1 411 . 1 1 39 39 PHE HB2 H 1 3.181 0.005 . 1 . . . A 39 PHE HB2 . 18734 1 412 . 1 1 39 39 PHE HB3 H 1 2.583 0.005 . 1 . . . A 39 PHE HB3 . 18734 1 413 . 1 1 39 39 PHE HD1 H 1 6.989 0.005 . 1 . . . A 39 PHE QD . 18734 1 414 . 1 1 39 39 PHE HD2 H 1 6.989 0.005 . 1 . . . A 39 PHE QD . 18734 1 415 . 1 1 39 39 PHE HE1 H 1 6.784 0.005 . 1 . . . A 39 PHE QE . 18734 1 416 . 1 1 39 39 PHE HE2 H 1 6.784 0.005 . 1 . . . A 39 PHE QE . 18734 1 417 . 1 1 39 39 PHE CA C 13 52.898 0.098 . 1 . . . A 39 PHE CA . 18734 1 418 . 1 1 39 39 PHE CB C 13 36.647 0.098 . 1 . . . A 39 PHE CB . 18734 1 419 . 1 1 39 39 PHE CD1 C 13 129.267 0.098 . 1 . . . A 39 PHE CD1 . 18734 1 420 . 1 1 39 39 PHE CD2 C 13 129.267 0.098 . 1 . . . A 39 PHE CD2 . 18734 1 421 . 1 1 39 39 PHE CE1 C 13 127.742 0.098 . 1 . . . A 39 PHE CE1 . 18734 1 422 . 1 1 39 39 PHE CE2 C 13 127.742 0.098 . 1 . . . A 39 PHE CE2 . 18734 1 423 . 1 1 39 39 PHE CZ C 13 127.775 0.098 . 1 . . . A 39 PHE CZ . 18734 1 424 . 1 1 39 39 PHE N N 15 115.430 0.148 . 1 . . . A 39 PHE N . 18734 1 425 . 1 1 40 40 SER H H 1 7.264 0.005 . 1 . . . A 40 SER H . 18734 1 426 . 1 1 40 40 SER HA H 1 4.238 0.005 . 1 . . . A 40 SER HA . 18734 1 427 . 1 1 40 40 SER HB2 H 1 3.764 0.005 . 1 . . . A 40 SER QB . 18734 1 428 . 1 1 40 40 SER HB3 H 1 3.764 0.005 . 1 . . . A 40 SER QB . 18734 1 429 . 1 1 40 40 SER CA C 13 56.954 0.098 . 1 . . . A 40 SER CA . 18734 1 430 . 1 1 40 40 SER CB C 13 60.458 0.098 . 1 . . . A 40 SER CB . 18734 1 431 . 1 1 40 40 SER N N 15 113.647 0.148 . 1 . . . A 40 SER N . 18734 1 432 . 1 1 41 41 GLY H H 1 9.110 0.005 . 1 . . . A 41 GLY H . 18734 1 433 . 1 1 41 41 GLY HA2 H 1 3.767 0.005 . 1 . . . A 41 GLY HA2 . 18734 1 434 . 1 1 41 41 GLY HA3 H 1 4.175 0.005 . 1 . . . A 41 GLY HA3 . 18734 1 435 . 1 1 41 41 GLY CA C 13 42.941 0.098 . 1 . . . A 41 GLY CA . 18734 1 436 . 1 1 41 41 GLY N N 15 115.225 0.148 . 1 . . . A 41 GLY N . 18734 1 437 . 1 1 42 42 CYS H H 1 7.929 0.005 . 1 . . . A 42 CYS H . 18734 1 438 . 1 1 42 42 CYS HA H 1 4.761 0.005 . 1 . . . A 42 CYS HA . 18734 1 439 . 1 1 42 42 CYS HB2 H 1 3.276 0.005 . 1 . . . A 42 CYS HB2 . 18734 1 440 . 1 1 42 42 CYS HB3 H 1 2.839 0.005 . 1 . . . A 42 CYS HB3 . 18734 1 441 . 1 1 42 42 CYS CB C 13 23.867 0.098 . 1 . . . A 42 CYS CB . 18734 1 442 . 1 1 42 42 CYS N N 15 120.385 0.148 . 1 . . . A 42 CYS N . 18734 1 443 . 1 1 43 43 THR H H 1 7.495 0.005 . 1 . . . A 43 THR H . 18734 1 444 . 1 1 43 43 THR HA H 1 3.863 0.005 . 1 . . . A 43 THR HA . 18734 1 445 . 1 1 43 43 THR HB H 1 4.245 0.005 . 1 . . . A 43 THR HB . 18734 1 446 . 1 1 43 43 THR HG21 H 1 1.175 0.005 . 1 . . . A 43 THR QG2 . 18734 1 447 . 1 1 43 43 THR HG22 H 1 1.175 0.005 . 1 . . . A 43 THR QG2 . 18734 1 448 . 1 1 43 43 THR HG23 H 1 1.175 0.005 . 1 . . . A 43 THR QG2 . 18734 1 449 . 1 1 43 43 THR CA C 13 61.663 0.098 . 1 . . . A 43 THR CA . 18734 1 450 . 1 1 43 43 THR CB C 13 66.027 0.098 . 1 . . . A 43 THR CB . 18734 1 451 . 1 1 43 43 THR CG2 C 13 19.994 0.098 . 1 . . . A 43 THR CG2 . 18734 1 452 . 1 1 43 43 THR N N 15 113.920 0.148 . 1 . . . A 43 THR N . 18734 1 453 . 1 1 44 44 ALA H H 1 8.551 0.005 . 1 . . . A 44 ALA H . 18734 1 454 . 1 1 44 44 ALA HA H 1 4.477 0.005 . 1 . . . A 44 ALA HA . 18734 1 455 . 1 1 44 44 ALA HB1 H 1 1.067 0.005 . 1 . . . A 44 ALA QB . 18734 1 456 . 1 1 44 44 ALA HB2 H 1 1.067 0.005 . 1 . . . A 44 ALA QB . 18734 1 457 . 1 1 44 44 ALA HB3 H 1 1.067 0.005 . 1 . . . A 44 ALA QB . 18734 1 458 . 1 1 44 44 ALA CA C 13 48.198 0.098 . 1 . . . A 44 ALA CA . 18734 1 459 . 1 1 44 44 ALA CB C 13 17.096 0.098 . 1 . . . A 44 ALA CB . 18734 1 460 . 1 1 44 44 ALA N N 15 123.479 0.148 . 1 . . . A 44 ALA N . 18734 1 461 . 1 1 45 45 LEU H H 1 6.819 0.005 . 1 . . . A 45 LEU H . 18734 1 462 . 1 1 45 45 LEU HA H 1 3.981 0.005 . 1 . . . A 45 LEU HA . 18734 1 463 . 1 1 45 45 LEU HB2 H 1 1.915 0.005 . 1 . . . A 45 LEU HB2 . 18734 1 464 . 1 1 45 45 LEU HB3 H 1 1.051 0.005 . 1 . . . A 45 LEU HB3 . 18734 1 465 . 1 1 45 45 LEU HG H 1 0.742 0.005 . 1 . . . A 45 LEU HG . 18734 1 466 . 1 1 45 45 LEU HD11 H 1 -0.074 0.005 . 1 . . . A 45 LEU QD1 . 18734 1 467 . 1 1 45 45 LEU HD12 H 1 -0.074 0.005 . 1 . . . A 45 LEU QD1 . 18734 1 468 . 1 1 45 45 LEU HD13 H 1 -0.074 0.005 . 1 . . . A 45 LEU QD1 . 18734 1 469 . 1 1 45 45 LEU HD21 H 1 0.214 0.005 . 1 . . . A 45 LEU QD2 . 18734 1 470 . 1 1 45 45 LEU HD22 H 1 0.214 0.005 . 1 . . . A 45 LEU QD2 . 18734 1 471 . 1 1 45 45 LEU HD23 H 1 0.214 0.005 . 1 . . . A 45 LEU QD2 . 18734 1 472 . 1 1 45 45 LEU CA C 13 53.838 0.098 . 1 . . . A 45 LEU CA . 18734 1 473 . 1 1 45 45 LEU CB C 13 40.243 0.098 . 1 . . . A 45 LEU CB . 18734 1 474 . 1 1 45 45 LEU CG C 13 24.411 0.098 . 1 . . . A 45 LEU CG . 18734 1 475 . 1 1 45 45 LEU CD1 C 13 24.835 0.098 . 1 . . . A 45 LEU CD1 . 18734 1 476 . 1 1 45 45 LEU CD2 C 13 20.511 0.098 . 1 . . . A 45 LEU CD2 . 18734 1 477 . 1 1 45 45 LEU N N 15 121.070 0.148 . 1 . . . A 45 LEU N . 18734 1 478 . 1 1 46 46 GLU H H 1 9.401 0.005 . 1 . . . A 46 GLU H . 18734 1 479 . 1 1 46 46 GLU HA H 1 4.511 0.005 . 1 . . . A 46 GLU HA . 18734 1 480 . 1 1 46 46 GLU HB2 H 1 2.104 0.005 . 1 . . . A 46 GLU HB2 . 18734 1 481 . 1 1 46 46 GLU HB3 H 1 2.027 0.005 . 1 . . . A 46 GLU HB3 . 18734 1 482 . 1 1 46 46 GLU HG2 H 1 2.596 0.005 . 1 . . . A 46 GLU HG2 . 18734 1 483 . 1 1 46 46 GLU HG3 H 1 2.234 0.005 . 1 . . . A 46 GLU HG3 . 18734 1 484 . 1 1 46 46 GLU CA C 13 54.357 0.098 . 1 . . . A 46 GLU CA . 18734 1 485 . 1 1 46 46 GLU CB C 13 29.883 0.098 . 1 . . . A 46 GLU CB . 18734 1 486 . 1 1 46 46 GLU CG C 13 33.780 0.098 . 1 . . . A 46 GLU CG . 18734 1 487 . 1 1 46 46 GLU N N 15 128.627 0.148 . 1 . . . A 46 GLU N . 18734 1 488 . 1 1 47 47 LYS H H 1 7.171 0.005 . 1 . . . A 47 LYS H . 18734 1 489 . 1 1 47 47 LYS HA H 1 5.128 0.005 . 1 . . . A 47 LYS HA . 18734 1 490 . 1 1 47 47 LYS HB2 H 1 1.556 0.005 . 1 . . . A 47 LYS HB2 . 18734 1 491 . 1 1 47 47 LYS HB3 H 1 1.434 0.005 . 1 . . . A 47 LYS HB3 . 18734 1 492 . 1 1 47 47 LYS HG2 H 1 1.269 0.005 . 1 . . . A 47 LYS HG2 . 18734 1 493 . 1 1 47 47 LYS HG3 H 1 1.127 0.005 . 1 . . . A 47 LYS HG3 . 18734 1 494 . 1 1 47 47 LYS HD2 H 1 1.478 0.005 . 1 . . . A 47 LYS HD2 . 18734 1 495 . 1 1 47 47 LYS HD3 H 1 1.560 0.005 . 1 . . . A 47 LYS HD3 . 18734 1 496 . 1 1 47 47 LYS HE3 H 1 2.798 0.005 . 1 . . . A 47 LYS HE3 . 18734 1 497 . 1 1 47 47 LYS CA C 13 52.808 0.098 . 1 . . . A 47 LYS CA . 18734 1 498 . 1 1 47 47 LYS CB C 13 35.325 0.098 . 1 . . . A 47 LYS CB . 18734 1 499 . 1 1 47 47 LYS CG C 13 23.024 0.098 . 1 . . . A 47 LYS CG . 18734 1 500 . 1 1 47 47 LYS CD C 13 27.133 0.098 . 1 . . . A 47 LYS CD . 18734 1 501 . 1 1 47 47 LYS CE C 13 39.685 0.098 . 1 . . . A 47 LYS CE . 18734 1 502 . 1 1 47 47 LYS N N 15 116.297 0.148 . 1 . . . A 47 LYS N . 18734 1 503 . 1 1 48 48 LEU H H 1 8.715 0.005 . 1 . . . A 48 LEU H . 18734 1 504 . 1 1 48 48 LEU HA H 1 4.403 0.005 . 1 . . . A 48 LEU HA . 18734 1 505 . 1 1 48 48 LEU HB2 H 1 1.426 0.005 . 1 . . . A 48 LEU HB2 . 18734 1 506 . 1 1 48 48 LEU HB3 H 1 0.087 0.005 . 1 . . . A 48 LEU HB3 . 18734 1 507 . 1 1 48 48 LEU HG H 1 0.840 0.005 . 1 . . . A 48 LEU HG . 18734 1 508 . 1 1 48 48 LEU HD11 H 1 0.387 0.005 . 1 . . . A 48 LEU QD1 . 18734 1 509 . 1 1 48 48 LEU HD12 H 1 0.387 0.005 . 1 . . . A 48 LEU QD1 . 18734 1 510 . 1 1 48 48 LEU HD13 H 1 0.387 0.005 . 1 . . . A 48 LEU QD1 . 18734 1 511 . 1 1 48 48 LEU HD21 H 1 0.063 0.005 . 1 . . . A 48 LEU QD2 . 18734 1 512 . 1 1 48 48 LEU HD22 H 1 0.063 0.005 . 1 . . . A 48 LEU QD2 . 18734 1 513 . 1 1 48 48 LEU HD23 H 1 0.063 0.005 . 1 . . . A 48 LEU QD2 . 18734 1 514 . 1 1 48 48 LEU CA C 13 50.489 0.098 . 1 . . . A 48 LEU CA . 18734 1 515 . 1 1 48 48 LEU CB C 13 41.991 0.098 . 1 . . . A 48 LEU CB . 18734 1 516 . 1 1 48 48 LEU CG C 13 24.687 0.098 . 1 . . . A 48 LEU CG . 18734 1 517 . 1 1 48 48 LEU CD1 C 13 23.330 0.098 . 1 . . . A 48 LEU CD1 . 18734 1 518 . 1 1 48 48 LEU CD2 C 13 21.979 0.098 . 1 . . . A 48 LEU CD2 . 18734 1 519 . 1 1 48 48 LEU N N 15 125.474 0.148 . 1 . . . A 48 LEU N . 18734 1 520 . 1 1 49 49 ILE H H 1 9.131 0.005 . 1 . . . A 49 ILE H . 18734 1 521 . 1 1 49 49 ILE HA H 1 4.145 0.005 . 1 . . . A 49 ILE HA . 18734 1 522 . 1 1 49 49 ILE HB H 1 1.749 0.005 . 1 . . . A 49 ILE HB . 18734 1 523 . 1 1 49 49 ILE HG12 H 1 0.627 0.005 . 1 . . . A 49 ILE HG12 . 18734 1 524 . 1 1 49 49 ILE HG13 H 1 1.146 0.005 . 1 . . . A 49 ILE HG13 . 18734 1 525 . 1 1 49 49 ILE HG21 H 1 0.541 0.005 . 1 . . . A 49 ILE QG2 . 18734 1 526 . 1 1 49 49 ILE HG22 H 1 0.541 0.005 . 1 . . . A 49 ILE QG2 . 18734 1 527 . 1 1 49 49 ILE HG23 H 1 0.541 0.005 . 1 . . . A 49 ILE QG2 . 18734 1 528 . 1 1 49 49 ILE HD11 H 1 0.551 0.005 . 1 . . . A 49 ILE QD1 . 18734 1 529 . 1 1 49 49 ILE HD12 H 1 0.551 0.005 . 1 . . . A 49 ILE QD1 . 18734 1 530 . 1 1 49 49 ILE HD13 H 1 0.551 0.005 . 1 . . . A 49 ILE QD1 . 18734 1 531 . 1 1 49 49 ILE CA C 13 58.314 0.098 . 1 . . . A 49 ILE CA . 18734 1 532 . 1 1 49 49 ILE CB C 13 36.125 0.098 . 1 . . . A 49 ILE CB . 18734 1 533 . 1 1 49 49 ILE CG1 C 13 25.863 0.098 . 1 . . . A 49 ILE CG1 . 18734 1 534 . 1 1 49 49 ILE CG2 C 13 15.435 0.098 . 1 . . . A 49 ILE CG2 . 18734 1 535 . 1 1 49 49 ILE CD1 C 13 11.599 0.098 . 1 . . . A 49 ILE CD1 . 18734 1 536 . 1 1 49 49 ILE N N 15 127.246 0.148 . 1 . . . A 49 ILE N . 18734 1 537 . 1 1 50 50 LEU H H 1 8.553 0.005 . 1 . . . A 50 LEU H . 18734 1 538 . 1 1 50 50 LEU HA H 1 4.417 0.005 . 1 . . . A 50 LEU HA . 18734 1 539 . 1 1 50 50 LEU HB2 H 1 0.324 0.005 . 1 . . . A 50 LEU HB2 . 18734 1 540 . 1 1 50 50 LEU HB3 H 1 1.116 0.005 . 1 . . . A 50 LEU HB3 . 18734 1 541 . 1 1 50 50 LEU HG H 1 0.740 0.005 . 1 . . . A 50 LEU HG . 18734 1 542 . 1 1 50 50 LEU HD11 H 1 -0.507 0.005 . 1 . . . A 50 LEU QD1 . 18734 1 543 . 1 1 50 50 LEU HD12 H 1 -0.507 0.005 . 1 . . . A 50 LEU QD1 . 18734 1 544 . 1 1 50 50 LEU HD13 H 1 -0.507 0.005 . 1 . . . A 50 LEU QD1 . 18734 1 545 . 1 1 50 50 LEU HD21 H 1 -0.164 0.005 . 1 . . . A 50 LEU QD2 . 18734 1 546 . 1 1 50 50 LEU HD22 H 1 -0.164 0.005 . 1 . . . A 50 LEU QD2 . 18734 1 547 . 1 1 50 50 LEU HD23 H 1 -0.164 0.005 . 1 . . . A 50 LEU QD2 . 18734 1 548 . 1 1 50 50 LEU CA C 13 50.414 0.098 . 1 . . . A 50 LEU CA . 18734 1 549 . 1 1 50 50 LEU CB C 13 36.390 0.098 . 1 . . . A 50 LEU CB . 18734 1 550 . 1 1 50 50 LEU CG C 13 24.094 0.098 . 1 . . . A 50 LEU CG . 18734 1 551 . 1 1 50 50 LEU CD1 C 13 21.577 0.098 . 1 . . . A 50 LEU CD1 . 18734 1 552 . 1 1 50 50 LEU CD2 C 13 19.179 0.098 . 1 . . . A 50 LEU CD2 . 18734 1 553 . 1 1 50 50 LEU N N 15 128.685 0.148 . 1 . . . A 50 LEU N . 18734 1 554 . 1 1 51 51 THR H H 1 6.964 0.005 . 1 . . . A 51 THR H . 18734 1 555 . 1 1 51 51 THR HA H 1 3.935 0.005 . 1 . . . A 51 THR HA . 18734 1 556 . 1 1 51 51 THR HB H 1 4.164 0.005 . 1 . . . A 51 THR HB . 18734 1 557 . 1 1 51 51 THR HG21 H 1 1.008 0.005 . 1 . . . A 51 THR QG2 . 18734 1 558 . 1 1 51 51 THR HG22 H 1 1.008 0.005 . 1 . . . A 51 THR QG2 . 18734 1 559 . 1 1 51 51 THR HG23 H 1 1.008 0.005 . 1 . . . A 51 THR QG2 . 18734 1 560 . 1 1 51 51 THR CA C 13 60.194 0.098 . 1 . . . A 51 THR CA . 18734 1 561 . 1 1 51 51 THR CB C 13 66.107 0.098 . 1 . . . A 51 THR CB . 18734 1 562 . 1 1 51 51 THR CG2 C 13 20.239 0.098 . 1 . . . A 51 THR CG2 . 18734 1 563 . 1 1 51 51 THR N N 15 109.751 0.148 . 1 . . . A 51 THR N . 18734 1 564 . 1 1 52 52 GLY H H 1 8.409 0.005 . 1 . . . A 52 GLY H . 18734 1 565 . 1 1 52 52 GLY HA2 H 1 4.242 0.005 . 1 . . . A 52 GLY HA2 . 18734 1 566 . 1 1 52 52 GLY HA3 H 1 4.120 0.005 . 1 . . . A 52 GLY HA3 . 18734 1 567 . 1 1 52 52 GLY CA C 13 42.432 0.098 . 1 . . . A 52 GLY CA . 18734 1 568 . 1 1 52 52 GLY N N 15 108.656 0.148 . 1 . . . A 52 GLY N . 18734 1 569 . 1 1 53 53 GLU H H 1 8.741 0.005 . 1 . . . A 53 GLU H . 18734 1 570 . 1 1 53 53 GLU HA H 1 4.061 0.005 . 1 . . . A 53 GLU HA . 18734 1 571 . 1 1 53 53 GLU HB2 H 1 1.923 0.005 . 1 . . . A 53 GLU HB2 . 18734 1 572 . 1 1 53 53 GLU HB3 H 1 2.145 0.005 . 1 . . . A 53 GLU HB3 . 18734 1 573 . 1 1 53 53 GLU HG2 H 1 2.126 0.005 . 1 . . . A 53 GLU HG2 . 18734 1 574 . 1 1 53 53 GLU HG3 H 1 2.318 0.005 . 1 . . . A 53 GLU HG3 . 18734 1 575 . 1 1 53 53 GLU CA C 13 54.296 0.098 . 1 . . . A 53 GLU CA . 18734 1 576 . 1 1 53 53 GLU CB C 13 27.425 0.098 . 1 . . . A 53 GLU CB . 18734 1 577 . 1 1 53 53 GLU CG C 13 33.540 0.098 . 1 . . . A 53 GLU CG . 18734 1 578 . 1 1 53 53 GLU N N 15 119.733 0.148 . 1 . . . A 53 GLU N . 18734 1 579 . 1 1 54 54 ASP H H 1 8.309 0.005 . 1 . . . A 54 ASP H . 18734 1 580 . 1 1 54 54 ASP HA H 1 5.035 0.005 . 1 . . . A 54 ASP HA . 18734 1 581 . 1 1 54 54 ASP HB2 H 1 2.868 0.005 . 1 . . . A 54 ASP HB2 . 18734 1 582 . 1 1 54 54 ASP HB3 H 1 2.445 0.005 . 1 . . . A 54 ASP HB3 . 18734 1 583 . 1 1 54 54 ASP CA C 13 46.882 0.098 . 1 . . . A 54 ASP CA . 18734 1 584 . 1 1 54 54 ASP CB C 13 39.822 0.098 . 1 . . . A 54 ASP CB . 18734 1 585 . 1 1 54 54 ASP N N 15 118.231 0.148 . 1 . . . A 54 ASP N . 18734 1 586 . 1 1 55 55 PRO HA H 1 3.920 0.005 . 1 . . . A 55 PRO HA . 18734 1 587 . 1 1 55 55 PRO HB2 H 1 1.854 0.005 . 1 . . . A 55 PRO HB2 . 18734 1 588 . 1 1 55 55 PRO HB3 H 1 1.744 0.005 . 1 . . . A 55 PRO HB3 . 18734 1 589 . 1 1 55 55 PRO HG2 H 1 1.431 0.005 . 1 . . . A 55 PRO HG2 . 18734 1 590 . 1 1 55 55 PRO HG3 H 1 -0.016 0.005 . 1 . . . A 55 PRO HG3 . 18734 1 591 . 1 1 55 55 PRO HD2 H 1 3.859 0.005 . 1 . . . A 55 PRO HD2 . 18734 1 592 . 1 1 55 55 PRO HD3 H 1 3.629 0.005 . 1 . . . A 55 PRO HD3 . 18734 1 593 . 1 1 55 55 PRO CA C 13 61.140 0.098 . 1 . . . A 55 PRO CA . 18734 1 594 . 1 1 55 55 PRO CB C 13 30.606 0.098 . 1 . . . A 55 PRO CB . 18734 1 595 . 1 1 55 55 PRO CG C 13 23.290 0.098 . 1 . . . A 55 PRO CG . 18734 1 596 . 1 1 55 55 PRO CD C 13 48.244 0.098 . 1 . . . A 55 PRO CD . 18734 1 597 . 1 1 56 56 SER H H 1 7.998 0.005 . 1 . . . A 56 SER H . 18734 1 598 . 1 1 56 56 SER HA H 1 4.494 0.005 . 1 . . . A 56 SER HA . 18734 1 599 . 1 1 56 56 SER HB2 H 1 4.006 0.005 . 1 . . . A 56 SER QB . 18734 1 600 . 1 1 56 56 SER HB3 H 1 4.006 0.005 . 1 . . . A 56 SER QB . 18734 1 601 . 1 1 56 56 SER CA C 13 57.752 0.098 . 1 . . . A 56 SER CA . 18734 1 602 . 1 1 56 56 SER CB C 13 60.574 0.098 . 1 . . . A 56 SER CB . 18734 1 603 . 1 1 56 56 SER N N 15 108.966 0.148 . 1 . . . A 56 SER N . 18734 1 604 . 1 1 57 57 ALA H H 1 7.770 0.005 . 1 . . . A 57 ALA H . 18734 1 605 . 1 1 57 57 ALA HA H 1 4.197 0.005 . 1 . . . A 57 ALA HA . 18734 1 606 . 1 1 57 57 ALA HB1 H 1 1.196 0.005 . 1 . . . A 57 ALA QB . 18734 1 607 . 1 1 57 57 ALA HB2 H 1 1.196 0.005 . 1 . . . A 57 ALA QB . 18734 1 608 . 1 1 57 57 ALA HB3 H 1 1.196 0.005 . 1 . . . A 57 ALA QB . 18734 1 609 . 1 1 57 57 ALA CA C 13 49.452 0.098 . 1 . . . A 57 ALA CA . 18734 1 610 . 1 1 57 57 ALA CB C 13 17.341 0.098 . 1 . . . A 57 ALA CB . 18734 1 611 . 1 1 57 57 ALA N N 15 123.346 0.148 . 1 . . . A 57 ALA N . 18734 1 612 . 1 1 58 58 TYR H H 1 7.878 0.005 . 1 . . . A 58 TYR H . 18734 1 613 . 1 1 58 58 TYR HA H 1 4.844 0.005 . 1 . . . A 58 TYR HA . 18734 1 614 . 1 1 58 58 TYR HB2 H 1 3.130 0.005 . 1 . . . A 58 TYR HB2 . 18734 1 615 . 1 1 58 58 TYR HB3 H 1 2.989 0.005 . 1 . . . A 58 TYR HB3 . 18734 1 616 . 1 1 58 58 TYR HD1 H 1 7.057 0.005 . 1 . . . A 58 TYR QD . 18734 1 617 . 1 1 58 58 TYR HD2 H 1 7.057 0.005 . 1 . . . A 58 TYR QD . 18734 1 618 . 1 1 58 58 TYR HE1 H 1 6.494 0.005 . 1 . . . A 58 TYR QE . 18734 1 619 . 1 1 58 58 TYR HE2 H 1 6.494 0.005 . 1 . . . A 58 TYR QE . 18734 1 620 . 1 1 58 58 TYR CA C 13 54.841 0.098 . 1 . . . A 58 TYR CA . 18734 1 621 . 1 1 58 58 TYR CB C 13 39.626 0.098 . 1 . . . A 58 TYR CB . 18734 1 622 . 1 1 58 58 TYR CD2 C 13 131.203 0.098 . 1 . . . A 58 TYR CD2 . 18734 1 623 . 1 1 58 58 TYR CE2 C 13 115.333 0.098 . 1 . . . A 58 TYR CE2 . 18734 1 624 . 1 1 58 58 TYR N N 15 118.640 0.148 . 1 . . . A 58 TYR N . 18734 1 625 . 1 1 59 59 SER H H 1 9.289 0.005 . 1 . . . A 59 SER H . 18734 1 626 . 1 1 59 59 SER HA H 1 4.584 0.005 . 1 . . . A 59 SER HA . 18734 1 627 . 1 1 59 59 SER HB2 H 1 3.597 0.005 . 1 . . . A 59 SER HB2 . 18734 1 628 . 1 1 59 59 SER HB3 H 1 3.477 0.005 . 1 . . . A 59 SER HB3 . 18734 1 629 . 1 1 59 59 SER CA C 13 54.332 0.098 . 1 . . . A 59 SER CA . 18734 1 630 . 1 1 59 59 SER CB C 13 62.866 0.098 . 1 . . . A 59 SER CB . 18734 1 631 . 1 1 59 59 SER N N 15 118.841 0.148 . 1 . . . A 59 SER N . 18734 1 632 . 1 1 60 60 ALA H H 1 7.473 0.005 . 1 . . . A 60 ALA H . 18734 1 633 . 1 1 60 60 ALA HA H 1 4.726 0.005 . 1 . . . A 60 ALA HA . 18734 1 634 . 1 1 60 60 ALA HB1 H 1 1.587 0.005 . 1 . . . A 60 ALA QB . 18734 1 635 . 1 1 60 60 ALA HB2 H 1 1.587 0.005 . 1 . . . A 60 ALA QB . 18734 1 636 . 1 1 60 60 ALA HB3 H 1 1.587 0.005 . 1 . . . A 60 ALA QB . 18734 1 637 . 1 1 60 60 ALA CB C 13 20.233 0.098 . 1 . . . A 60 ALA CB . 18734 1 638 . 1 1 60 60 ALA N N 15 125.034 0.148 . 1 . . . A 60 ALA N . 18734 1 639 . 1 1 61 61 GLY H H 1 9.368 0.005 . 1 . . . A 61 GLY H . 18734 1 640 . 1 1 61 61 GLY HA2 H 1 4.000 0.005 . 1 . . . A 61 GLY QA . 18734 1 641 . 1 1 61 61 GLY HA3 H 1 4.000 0.005 . 1 . . . A 61 GLY QA . 18734 1 642 . 1 1 61 61 GLY CA C 13 41.504 0.098 . 1 . . . A 61 GLY CA . 18734 1 643 . 1 1 61 61 GLY N N 15 109.267 0.148 . 1 . . . A 61 GLY N . 18734 1 644 . 1 1 62 62 ASP H H 1 9.236 0.005 . 1 . . . A 62 ASP H . 18734 1 645 . 1 1 62 62 ASP HA H 1 4.673 0.005 . 1 . . . A 62 ASP HA . 18734 1 646 . 1 1 62 62 ASP HB2 H 1 2.705 0.005 . 1 . . . A 62 ASP HB2 . 18734 1 647 . 1 1 62 62 ASP HB3 H 1 2.569 0.005 . 1 . . . A 62 ASP HB3 . 18734 1 648 . 1 1 62 62 ASP CB C 13 38.468 0.098 . 1 . . . A 62 ASP CB . 18734 1 649 . 1 1 62 62 ASP N N 15 121.898 0.148 . 1 . . . A 62 ASP N . 18734 1 650 . 1 1 63 63 GLY H H 1 8.774 0.005 . 1 . . . A 63 GLY H . 18734 1 651 . 1 1 63 63 GLY HA2 H 1 3.218 0.005 . 1 . . . A 63 GLY HA2 . 18734 1 652 . 1 1 63 63 GLY HA3 H 1 4.656 0.005 . 1 . . . A 63 GLY HA3 . 18734 1 653 . 1 1 63 63 GLY CA C 13 43.099 0.098 . 1 . . . A 63 GLY CA . 18734 1 654 . 1 1 63 63 GLY N N 15 111.438 0.148 . 1 . . . A 63 GLY N . 18734 1 655 . 1 1 64 64 LEU H H 1 7.483 0.005 . 1 . . . A 64 LEU H . 18734 1 656 . 1 1 64 64 LEU HA H 1 4.169 0.005 . 1 . . . A 64 LEU HA . 18734 1 657 . 1 1 64 64 LEU HB2 H 1 1.760 0.005 . 1 . . . A 64 LEU HB2 . 18734 1 658 . 1 1 64 64 LEU HB3 H 1 1.425 0.005 . 1 . . . A 64 LEU HB3 . 18734 1 659 . 1 1 64 64 LEU HG H 1 1.581 0.005 . 1 . . . A 64 LEU HG . 18734 1 660 . 1 1 64 64 LEU HD11 H 1 0.629 0.005 . 1 . . . A 64 LEU QD1 . 18734 1 661 . 1 1 64 64 LEU HD12 H 1 0.629 0.005 . 1 . . . A 64 LEU QD1 . 18734 1 662 . 1 1 64 64 LEU HD13 H 1 0.629 0.005 . 1 . . . A 64 LEU QD1 . 18734 1 663 . 1 1 64 64 LEU HD21 H 1 1.128 0.005 . 1 . . . A 64 LEU QD2 . 18734 1 664 . 1 1 64 64 LEU HD22 H 1 1.128 0.005 . 1 . . . A 64 LEU QD2 . 18734 1 665 . 1 1 64 64 LEU HD23 H 1 1.128 0.005 . 1 . . . A 64 LEU QD2 . 18734 1 666 . 1 1 64 64 LEU CA C 13 56.103 0.098 . 1 . . . A 64 LEU CA . 18734 1 667 . 1 1 64 64 LEU CB C 13 40.431 0.098 . 1 . . . A 64 LEU CB . 18734 1 668 . 1 1 64 64 LEU CG C 13 24.897 0.098 . 1 . . . A 64 LEU CG . 18734 1 669 . 1 1 64 64 LEU CD1 C 13 23.858 0.098 . 1 . . . A 64 LEU CD1 . 18734 1 670 . 1 1 64 64 LEU CD2 C 13 21.334 0.098 . 1 . . . A 64 LEU CD2 . 18734 1 671 . 1 1 64 64 LEU N N 15 125.900 0.148 . 1 . . . A 64 LEU N . 18734 1 672 . 1 1 65 65 ARG H H 1 8.071 0.005 . 1 . . . A 65 ARG H . 18734 1 673 . 1 1 65 65 ARG HA H 1 4.057 0.005 . 1 . . . A 65 ARG HA . 18734 1 674 . 1 1 65 65 ARG HB2 H 1 1.087 0.005 . 1 . . . A 65 ARG HB2 . 18734 1 675 . 1 1 65 65 ARG HB3 H 1 1.435 0.005 . 1 . . . A 65 ARG HB3 . 18734 1 676 . 1 1 65 65 ARG HG2 H 1 0.259 0.005 . 1 . . . A 65 ARG HG2 . 18734 1 677 . 1 1 65 65 ARG HG3 H 1 0.855 0.005 . 1 . . . A 65 ARG HG3 . 18734 1 678 . 1 1 65 65 ARG HD2 H 1 2.275 0.005 . 1 . . . A 65 ARG QD . 18734 1 679 . 1 1 65 65 ARG HD3 H 1 2.275 0.005 . 1 . . . A 65 ARG QD . 18734 1 680 . 1 1 65 65 ARG CA C 13 51.787 0.098 . 1 . . . A 65 ARG CA . 18734 1 681 . 1 1 65 65 ARG CB C 13 26.474 0.098 . 1 . . . A 65 ARG CB . 18734 1 682 . 1 1 65 65 ARG CG C 13 27.126 0.098 . 1 . . . A 65 ARG CG . 18734 1 683 . 1 1 65 65 ARG CD C 13 39.962 0.098 . 1 . . . A 65 ARG CD . 18734 1 684 . 1 1 65 65 ARG N N 15 111.696 0.148 . 1 . . . A 65 ARG N . 18734 1 685 . 1 1 66 66 ASP H H 1 7.293 0.005 . 1 . . . A 66 ASP H . 18734 1 686 . 1 1 66 66 ASP HA H 1 4.121 0.005 . 1 . . . A 66 ASP HA . 18734 1 687 . 1 1 66 66 ASP HB2 H 1 2.496 0.005 . 1 . . . A 66 ASP QB . 18734 1 688 . 1 1 66 66 ASP HB3 H 1 2.496 0.005 . 1 . . . A 66 ASP QB . 18734 1 689 . 1 1 66 66 ASP CA C 13 53.462 0.098 . 1 . . . A 66 ASP CA . 18734 1 690 . 1 1 66 66 ASP CB C 13 37.557 0.098 . 1 . . . A 66 ASP CB . 18734 1 691 . 1 1 66 66 ASP N N 15 120.559 0.148 . 1 . . . A 66 ASP N . 18734 1 692 . 1 1 67 67 GLY H H 1 8.695 0.005 . 1 . . . A 67 GLY H . 18734 1 693 . 1 1 67 67 GLY HA2 H 1 3.699 0.005 . 1 . . . A 67 GLY HA2 . 18734 1 694 . 1 1 67 67 GLY HA3 H 1 4.091 0.005 . 1 . . . A 67 GLY HA3 . 18734 1 695 . 1 1 67 67 GLY CA C 13 43.985 0.098 . 1 . . . A 67 GLY CA . 18734 1 696 . 1 1 67 67 GLY N N 15 110.131 0.148 . 1 . . . A 67 GLY N . 18734 1 697 . 1 1 68 68 ALA H H 1 8.058 0.005 . 1 . . . A 68 ALA H . 18734 1 698 . 1 1 68 68 ALA HA H 1 4.385 0.005 . 1 . . . A 68 ALA HA . 18734 1 699 . 1 1 68 68 ALA HB1 H 1 1.464 0.005 . 1 . . . A 68 ALA QB . 18734 1 700 . 1 1 68 68 ALA HB2 H 1 1.464 0.005 . 1 . . . A 68 ALA QB . 18734 1 701 . 1 1 68 68 ALA HB3 H 1 1.464 0.005 . 1 . . . A 68 ALA QB . 18734 1 702 . 1 1 68 68 ALA CA C 13 49.065 0.098 . 1 . . . A 68 ALA CA . 18734 1 703 . 1 1 68 68 ALA CB C 13 19.402 0.098 . 1 . . . A 68 ALA CB . 18734 1 704 . 1 1 68 68 ALA N N 15 123.462 0.148 . 1 . . . A 68 ALA N . 18734 1 705 . 1 1 69 69 ASP H H 1 8.721 0.005 . 1 . . . A 69 ASP H . 18734 1 706 . 1 1 69 69 ASP HA H 1 4.524 0.005 . 1 . . . A 69 ASP HA . 18734 1 707 . 1 1 69 69 ASP HB2 H 1 2.220 0.005 . 1 . . . A 69 ASP HB2 . 18734 1 708 . 1 1 69 69 ASP HB3 H 1 2.617 0.005 . 1 . . . A 69 ASP HB3 . 18734 1 709 . 1 1 69 69 ASP CA C 13 51.240 0.098 . 1 . . . A 69 ASP CA . 18734 1 710 . 1 1 69 69 ASP CB C 13 39.076 0.098 . 1 . . . A 69 ASP CB . 18734 1 711 . 1 1 69 69 ASP N N 15 116.343 0.148 . 1 . . . A 69 ASP N . 18734 1 712 . 1 1 70 70 PHE H H 1 5.865 0.005 . 1 . . . A 70 PHE H . 18734 1 713 . 1 1 70 70 PHE HA H 1 4.648 0.005 . 1 . . . A 70 PHE HA . 18734 1 714 . 1 1 70 70 PHE HB2 H 1 2.563 0.005 . 1 . . . A 70 PHE HB2 . 18734 1 715 . 1 1 70 70 PHE HB3 H 1 2.518 0.005 . 1 . . . A 70 PHE HB3 . 18734 1 716 . 1 1 70 70 PHE HD1 H 1 6.713 0.005 . 1 . . . A 70 PHE QD . 18734 1 717 . 1 1 70 70 PHE HD2 H 1 6.713 0.005 . 1 . . . A 70 PHE QD . 18734 1 718 . 1 1 70 70 PHE HE1 H 1 6.581 0.005 . 1 . . . A 70 PHE QE . 18734 1 719 . 1 1 70 70 PHE HE2 H 1 6.581 0.005 . 1 . . . A 70 PHE QE . 18734 1 720 . 1 1 70 70 PHE HZ H 1 6.467 0.005 . 1 . . . A 70 PHE HZ . 18734 1 721 . 1 1 70 70 PHE CA C 13 52.114 0.098 . 1 . . . A 70 PHE CA . 18734 1 722 . 1 1 70 70 PHE CB C 13 38.375 0.098 . 1 . . . A 70 PHE CB . 18734 1 723 . 1 1 70 70 PHE CD1 C 13 130.054 0.098 . 1 . . . A 70 PHE CD1 . 18734 1 724 . 1 1 70 70 PHE CD2 C 13 130.054 0.098 . 1 . . . A 70 PHE CD2 . 18734 1 725 . 1 1 70 70 PHE CE1 C 13 127.552 0.098 . 1 . . . A 70 PHE CE1 . 18734 1 726 . 1 1 70 70 PHE CZ C 13 125.894 0.098 . 1 . . . A 70 PHE CZ . 18734 1 727 . 1 1 70 70 PHE N N 15 113.658 0.148 . 1 . . . A 70 PHE N . 18734 1 728 . 1 1 71 71 LEU H H 1 7.964 0.005 . 1 . . . A 71 LEU H . 18734 1 729 . 1 1 71 71 LEU HA H 1 4.915 0.005 . 1 . . . A 71 LEU HA . 18734 1 730 . 1 1 71 71 LEU HB2 H 1 1.639 0.005 . 1 . . . A 71 LEU HB2 . 18734 1 731 . 1 1 71 71 LEU HB3 H 1 1.429 0.005 . 1 . . . A 71 LEU HB3 . 18734 1 732 . 1 1 71 71 LEU HG H 1 1.887 0.005 . 1 . . . A 71 LEU HG . 18734 1 733 . 1 1 71 71 LEU HD11 H 1 0.847 0.005 . 1 . . . A 71 LEU QD1 . 18734 1 734 . 1 1 71 71 LEU HD12 H 1 0.847 0.005 . 1 . . . A 71 LEU QD1 . 18734 1 735 . 1 1 71 71 LEU HD13 H 1 0.847 0.005 . 1 . . . A 71 LEU QD1 . 18734 1 736 . 1 1 71 71 LEU HD21 H 1 1.054 0.005 . 1 . . . A 71 LEU QD2 . 18734 1 737 . 1 1 71 71 LEU HD22 H 1 1.054 0.005 . 1 . . . A 71 LEU QD2 . 18734 1 738 . 1 1 71 71 LEU HD23 H 1 1.054 0.005 . 1 . . . A 71 LEU QD2 . 18734 1 739 . 1 1 71 71 LEU CA C 13 50.797 0.098 . 1 . . . A 71 LEU CA . 18734 1 740 . 1 1 71 71 LEU CB C 13 41.482 0.098 . 1 . . . A 71 LEU CB . 18734 1 741 . 1 1 71 71 LEU CG C 13 24.507 0.098 . 1 . . . A 71 LEU CG . 18734 1 742 . 1 1 71 71 LEU CD1 C 13 23.022 0.098 . 1 . . . A 71 LEU CD1 . 18734 1 743 . 1 1 71 71 LEU CD2 C 13 20.573 0.098 . 1 . . . A 71 LEU CD2 . 18734 1 744 . 1 1 71 71 LEU N N 15 119.766 0.148 . 1 . . . A 71 LEU N . 18734 1 745 . 1 1 72 72 ILE H H 1 9.073 0.005 . 1 . . . A 72 ILE H . 18734 1 746 . 1 1 72 72 ILE HA H 1 4.728 0.005 . 1 . . . A 72 ILE HA . 18734 1 747 . 1 1 72 72 ILE HB H 1 1.619 0.005 . 1 . . . A 72 ILE HB . 18734 1 748 . 1 1 72 72 ILE HG12 H 1 0.871 0.005 . 1 . . . A 72 ILE HG12 . 18734 1 749 . 1 1 72 72 ILE HG13 H 1 1.609 0.005 . 1 . . . A 72 ILE HG13 . 18734 1 750 . 1 1 72 72 ILE HG21 H 1 0.358 0.005 . 1 . . . A 72 ILE QG2 . 18734 1 751 . 1 1 72 72 ILE HG22 H 1 0.358 0.005 . 1 . . . A 72 ILE QG2 . 18734 1 752 . 1 1 72 72 ILE HG23 H 1 0.358 0.005 . 1 . . . A 72 ILE QG2 . 18734 1 753 . 1 1 72 72 ILE HD11 H 1 0.867 0.005 . 1 . . . A 72 ILE QD1 . 18734 1 754 . 1 1 72 72 ILE HD12 H 1 0.867 0.005 . 1 . . . A 72 ILE QD1 . 18734 1 755 . 1 1 72 72 ILE HD13 H 1 0.867 0.005 . 1 . . . A 72 ILE QD1 . 18734 1 756 . 1 1 72 72 ILE CB C 13 36.921 0.098 . 1 . . . A 72 ILE CB . 18734 1 757 . 1 1 72 72 ILE CG1 C 13 26.310 0.098 . 1 . . . A 72 ILE CG1 . 18734 1 758 . 1 1 72 72 ILE CG2 C 13 15.089 0.098 . 1 . . . A 72 ILE CG2 . 18734 1 759 . 1 1 72 72 ILE CD1 C 13 12.792 0.098 . 1 . . . A 72 ILE CD1 . 18734 1 760 . 1 1 72 72 ILE N N 15 123.675 0.148 . 1 . . . A 72 ILE N . 18734 1 761 . 1 1 73 73 CYS H H 1 9.060 0.005 . 1 . . . A 73 CYS H . 18734 1 762 . 1 1 73 73 CYS HA H 1 5.534 0.005 . 1 . . . A 73 CYS HA . 18734 1 763 . 1 1 73 73 CYS HB2 H 1 2.359 0.005 . 1 . . . A 73 CYS HB2 . 18734 1 764 . 1 1 73 73 CYS HB3 H 1 2.434 0.005 . 1 . . . A 73 CYS HB3 . 18734 1 765 . 1 1 73 73 CYS CA C 13 54.056 0.098 . 1 . . . A 73 CYS CA . 18734 1 766 . 1 1 73 73 CYS CB C 13 27.753 0.098 . 1 . . . A 73 CYS CB . 18734 1 767 . 1 1 73 73 CYS N N 15 125.409 0.148 . 1 . . . A 73 CYS N . 18734 1 768 . 1 1 74 74 VAL H H 1 7.938 0.005 . 1 . . . A 74 VAL H . 18734 1 769 . 1 1 74 74 VAL HA H 1 4.951 0.005 . 1 . . . A 74 VAL HA . 18734 1 770 . 1 1 74 74 VAL HB H 1 1.433 0.005 . 1 . . . A 74 VAL HB . 18734 1 771 . 1 1 74 74 VAL HG11 H 1 -0.492 0.005 . 1 . . . A 74 VAL QG1 . 18734 1 772 . 1 1 74 74 VAL HG12 H 1 -0.492 0.005 . 1 . . . A 74 VAL QG1 . 18734 1 773 . 1 1 74 74 VAL HG13 H 1 -0.492 0.005 . 1 . . . A 74 VAL QG1 . 18734 1 774 . 1 1 74 74 VAL HG21 H 1 0.190 0.005 . 1 . . . A 74 VAL QG2 . 18734 1 775 . 1 1 74 74 VAL HG22 H 1 0.190 0.005 . 1 . . . A 74 VAL QG2 . 18734 1 776 . 1 1 74 74 VAL HG23 H 1 0.190 0.005 . 1 . . . A 74 VAL QG2 . 18734 1 777 . 1 1 74 74 VAL CA C 13 54.229 0.098 . 1 . . . A 74 VAL CA . 18734 1 778 . 1 1 74 74 VAL CB C 13 29.675 0.098 . 1 . . . A 74 VAL CB . 18734 1 779 . 1 1 74 74 VAL CG1 C 13 17.274 0.098 . 1 . . . A 74 VAL CG1 . 18734 1 780 . 1 1 74 74 VAL CG2 C 13 14.841 0.098 . 1 . . . A 74 VAL CG2 . 18734 1 781 . 1 1 74 74 VAL N N 15 114.408 0.148 . 1 . . . A 74 VAL N . 18734 1 782 . 1 1 75 75 PRO HA H 1 4.283 0.005 . 1 . . . A 75 PRO HA . 18734 1 783 . 1 1 75 75 PRO HB2 H 1 2.419 0.005 . 1 . . . A 75 PRO HB2 . 18734 1 784 . 1 1 75 75 PRO HB3 H 1 1.571 0.005 . 1 . . . A 75 PRO HB3 . 18734 1 785 . 1 1 75 75 PRO HG2 H 1 1.644 0.005 . 1 . . . A 75 PRO HG2 . 18734 1 786 . 1 1 75 75 PRO HG3 H 1 1.743 0.005 . 1 . . . A 75 PRO HG3 . 18734 1 787 . 1 1 75 75 PRO HD2 H 1 4.092 0.005 . 1 . . . A 75 PRO HD2 . 18734 1 788 . 1 1 75 75 PRO HD3 H 1 3.043 0.005 . 1 . . . A 75 PRO HD3 . 18734 1 789 . 1 1 75 75 PRO CA C 13 60.889 0.098 . 1 . . . A 75 PRO CA . 18734 1 790 . 1 1 75 75 PRO CB C 13 29.499 0.098 . 1 . . . A 75 PRO CB . 18734 1 791 . 1 1 75 75 PRO CG C 13 26.479 0.098 . 1 . . . A 75 PRO CG . 18734 1 792 . 1 1 75 75 PRO CD C 13 47.950 0.098 . 1 . . . A 75 PRO CD . 18734 1 793 . 1 1 76 76 GLU H H 1 9.130 0.005 . 1 . . . A 76 GLU H . 18734 1 794 . 1 1 76 76 GLU HA H 1 3.664 0.005 . 1 . . . A 76 GLU HA . 18734 1 795 . 1 1 76 76 GLU HB2 H 1 2.144 0.005 . 1 . . . A 76 GLU HB2 . 18734 1 796 . 1 1 76 76 GLU HB3 H 1 1.995 0.005 . 1 . . . A 76 GLU HB3 . 18734 1 797 . 1 1 76 76 GLU HG2 H 1 2.211 0.005 . 1 . . . A 76 GLU HG2 . 18734 1 798 . 1 1 76 76 GLU HG3 H 1 2.184 0.005 . 1 . . . A 76 GLU HG3 . 18734 1 799 . 1 1 76 76 GLU CA C 13 58.112 0.098 . 1 . . . A 76 GLU CA . 18734 1 800 . 1 1 76 76 GLU CB C 13 26.894 0.098 . 1 . . . A 76 GLU CB . 18734 1 801 . 1 1 76 76 GLU CG C 13 33.093 0.098 . 1 . . . A 76 GLU CG . 18734 1 802 . 1 1 76 76 GLU N N 15 126.159 0.148 . 1 . . . A 76 GLU N . 18734 1 803 . 1 1 77 77 GLU H H 1 9.350 0.005 . 1 . . . A 77 GLU H . 18734 1 804 . 1 1 77 77 GLU HA H 1 4.100 0.005 . 1 . . . A 77 GLU HA . 18734 1 805 . 1 1 77 77 GLU HB2 H 1 2.040 0.005 . 1 . . . A 77 GLU HB2 . 18734 1 806 . 1 1 77 77 GLU HB3 H 1 1.977 0.005 . 1 . . . A 77 GLU HB3 . 18734 1 807 . 1 1 77 77 GLU HG2 H 1 2.292 0.005 . 1 . . . A 77 GLU QG . 18734 1 808 . 1 1 77 77 GLU HG3 H 1 2.292 0.005 . 1 . . . A 77 GLU QG . 18734 1 809 . 1 1 77 77 GLU CA C 13 55.734 0.098 . 1 . . . A 77 GLU CA . 18734 1 810 . 1 1 77 77 GLU CB C 13 26.315 0.098 . 1 . . . A 77 GLU CB . 18734 1 811 . 1 1 77 77 GLU CG C 13 33.476 0.098 . 1 . . . A 77 GLU CG . 18734 1 812 . 1 1 77 77 GLU N N 15 117.145 0.148 . 1 . . . A 77 GLU N . 18734 1 813 . 1 1 78 78 ALA H H 1 8.044 0.005 . 1 . . . A 78 ALA H . 18734 1 814 . 1 1 78 78 ALA HA H 1 4.699 0.005 . 1 . . . A 78 ALA HA . 18734 1 815 . 1 1 78 78 ALA HB1 H 1 1.602 0.005 . 1 . . . A 78 ALA QB . 18734 1 816 . 1 1 78 78 ALA HB2 H 1 1.602 0.005 . 1 . . . A 78 ALA QB . 18734 1 817 . 1 1 78 78 ALA HB3 H 1 1.602 0.005 . 1 . . . A 78 ALA QB . 18734 1 818 . 1 1 78 78 ALA CB C 13 18.962 0.098 . 1 . . . A 78 ALA CB . 18734 1 819 . 1 1 78 78 ALA N N 15 120.398 0.148 . 1 . . . A 78 ALA N . 18734 1 820 . 1 1 79 79 LEU H H 1 7.331 0.005 . 1 . . . A 79 LEU H . 18734 1 821 . 1 1 79 79 LEU HA H 1 3.710 0.005 . 1 . . . A 79 LEU HA . 18734 1 822 . 1 1 79 79 LEU HB2 H 1 1.878 0.005 . 1 . . . A 79 LEU HB2 . 18734 1 823 . 1 1 79 79 LEU HB3 H 1 1.345 0.005 . 1 . . . A 79 LEU HB3 . 18734 1 824 . 1 1 79 79 LEU HG H 1 1.340 0.005 . 1 . . . A 79 LEU HG . 18734 1 825 . 1 1 79 79 LEU HD11 H 1 0.815 0.005 . 1 . . . A 79 LEU QD1 . 18734 1 826 . 1 1 79 79 LEU HD12 H 1 0.815 0.005 . 1 . . . A 79 LEU QD1 . 18734 1 827 . 1 1 79 79 LEU HD13 H 1 0.815 0.005 . 1 . . . A 79 LEU QD1 . 18734 1 828 . 1 1 79 79 LEU HD21 H 1 0.552 0.005 . 1 . . . A 79 LEU QD2 . 18734 1 829 . 1 1 79 79 LEU HD22 H 1 0.552 0.005 . 1 . . . A 79 LEU QD2 . 18734 1 830 . 1 1 79 79 LEU HD23 H 1 0.552 0.005 . 1 . . . A 79 LEU QD2 . 18734 1 831 . 1 1 79 79 LEU CA C 13 56.837 0.098 . 1 . . . A 79 LEU CA . 18734 1 832 . 1 1 79 79 LEU CB C 13 40.952 0.098 . 1 . . . A 79 LEU CB . 18734 1 833 . 1 1 79 79 LEU CG C 13 24.104 0.098 . 1 . . . A 79 LEU CG . 18734 1 834 . 1 1 79 79 LEU CD1 C 13 23.354 0.098 . 1 . . . A 79 LEU CD1 . 18734 1 835 . 1 1 79 79 LEU CD2 C 13 21.699 0.098 . 1 . . . A 79 LEU CD2 . 18734 1 836 . 1 1 79 79 LEU N N 15 122.497 0.148 . 1 . . . A 79 LEU N . 18734 1 837 . 1 1 80 80 ASP H H 1 8.305 0.005 . 1 . . . A 80 ASP H . 18734 1 838 . 1 1 80 80 ASP HA H 1 4.357 0.005 . 1 . . . A 80 ASP HA . 18734 1 839 . 1 1 80 80 ASP HB2 H 1 2.525 0.005 . 1 . . . A 80 ASP HB2 . 18734 1 840 . 1 1 80 80 ASP HB3 H 1 2.476 0.005 . 1 . . . A 80 ASP HB3 . 18734 1 841 . 1 1 80 80 ASP CA C 13 54.751 0.098 . 1 . . . A 80 ASP CA . 18734 1 842 . 1 1 80 80 ASP CB C 13 38.534 0.098 . 1 . . . A 80 ASP CB . 18734 1 843 . 1 1 80 80 ASP N N 15 116.432 0.148 . 1 . . . A 80 ASP N . 18734 1 844 . 1 1 81 81 ARG H H 1 7.638 0.005 . 1 . . . A 81 ARG H . 18734 1 845 . 1 1 81 81 ARG HA H 1 3.894 0.005 . 1 . . . A 81 ARG HA . 18734 1 846 . 1 1 81 81 ARG HB2 H 1 1.949 0.005 . 1 . . . A 81 ARG HB2 . 18734 1 847 . 1 1 81 81 ARG HB3 H 1 1.825 0.005 . 1 . . . A 81 ARG HB3 . 18734 1 848 . 1 1 81 81 ARG HG2 H 1 1.509 0.005 . 1 . . . A 81 ARG HG2 . 18734 1 849 . 1 1 81 81 ARG HG3 H 1 1.714 0.005 . 1 . . . A 81 ARG HG3 . 18734 1 850 . 1 1 81 81 ARG HD2 H 1 3.347 0.005 . 1 . . . A 81 ARG HD2 . 18734 1 851 . 1 1 81 81 ARG HD3 H 1 3.276 0.005 . 1 . . . A 81 ARG HD3 . 18734 1 852 . 1 1 81 81 ARG CA C 13 56.473 0.098 . 1 . . . A 81 ARG CA . 18734 1 853 . 1 1 81 81 ARG CB C 13 27.481 0.098 . 1 . . . A 81 ARG CB . 18734 1 854 . 1 1 81 81 ARG CG C 13 24.969 0.098 . 1 . . . A 81 ARG CG . 18734 1 855 . 1 1 81 81 ARG CD C 13 41.334 0.098 . 1 . . . A 81 ARG CD . 18734 1 856 . 1 1 81 81 ARG N N 15 119.433 0.148 . 1 . . . A 81 ARG N . 18734 1 857 . 1 1 82 82 TYR H H 1 8.198 0.005 . 1 . . . A 82 TYR H . 18734 1 858 . 1 1 82 82 TYR HA H 1 3.830 0.005 . 1 . . . A 82 TYR HA . 18734 1 859 . 1 1 82 82 TYR HB2 H 1 2.966 0.005 . 1 . . . A 82 TYR HB2 . 18734 1 860 . 1 1 82 82 TYR HB3 H 1 2.676 0.005 . 1 . . . A 82 TYR HB3 . 18734 1 861 . 1 1 82 82 TYR CA C 13 61.170 0.098 . 1 . . . A 82 TYR CA . 18734 1 862 . 1 1 82 82 TYR CB C 13 37.031 0.098 . 1 . . . A 82 TYR CB . 18734 1 863 . 1 1 82 82 TYR N N 15 116.397 0.148 . 1 . . . A 82 TYR N . 18734 1 864 . 1 1 83 83 ARG H H 1 8.151 0.005 . 1 . . . A 83 ARG H . 18734 1 865 . 1 1 83 83 ARG HA H 1 3.728 0.005 . 1 . . . A 83 ARG HA . 18734 1 866 . 1 1 83 83 ARG HB2 H 1 1.913 0.005 . 1 . . . A 83 ARG HB2 . 18734 1 867 . 1 1 83 83 ARG HB3 H 1 1.811 0.005 . 1 . . . A 83 ARG HB3 . 18734 1 868 . 1 1 83 83 ARG HG2 H 1 2.020 0.005 . 1 . . . A 83 ARG HG2 . 18734 1 869 . 1 1 83 83 ARG HG3 H 1 1.441 0.005 . 1 . . . A 83 ARG HG3 . 18734 1 870 . 1 1 83 83 ARG HD2 H 1 3.093 0.005 . 1 . . . A 83 ARG QD . 18734 1 871 . 1 1 83 83 ARG HD3 H 1 3.093 0.005 . 1 . . . A 83 ARG QD . 18734 1 872 . 1 1 83 83 ARG CA C 13 58.115 0.098 . 1 . . . A 83 ARG CA . 18734 1 873 . 1 1 83 83 ARG CB C 13 28.107 0.098 . 1 . . . A 83 ARG CB . 18734 1 874 . 1 1 83 83 ARG CG C 13 26.575 0.098 . 1 . . . A 83 ARG CG . 18734 1 875 . 1 1 83 83 ARG CD C 13 41.727 0.098 . 1 . . . A 83 ARG CD . 18734 1 876 . 1 1 83 83 ARG N N 15 113.114 0.148 . 1 . . . A 83 ARG N . 18734 1 877 . 1 1 84 84 ARG H H 1 7.571 0.005 . 1 . . . A 84 ARG H . 18734 1 878 . 1 1 84 84 ARG HA H 1 4.386 0.005 . 1 . . . A 84 ARG HA . 18734 1 879 . 1 1 84 84 ARG HB2 H 1 1.658 0.005 . 1 . . . A 84 ARG HB2 . 18734 1 880 . 1 1 84 84 ARG HB3 H 1 1.901 0.005 . 1 . . . A 84 ARG HB3 . 18734 1 881 . 1 1 84 84 ARG HG2 H 1 1.555 0.005 . 1 . . . A 84 ARG HG2 . 18734 1 882 . 1 1 84 84 ARG HG3 H 1 1.628 0.005 . 1 . . . A 84 ARG HG3 . 18734 1 883 . 1 1 84 84 ARG HD2 H 1 3.038 0.005 . 1 . . . A 84 ARG HD2 . 18734 1 884 . 1 1 84 84 ARG HD3 H 1 3.071 0.005 . 1 . . . A 84 ARG HD3 . 18734 1 885 . 1 1 84 84 ARG CA C 13 52.335 0.098 . 1 . . . A 84 ARG CA . 18734 1 886 . 1 1 84 84 ARG CB C 13 27.987 0.098 . 1 . . . A 84 ARG CB . 18734 1 887 . 1 1 84 84 ARG CG C 13 25.176 0.098 . 1 . . . A 84 ARG CG . 18734 1 888 . 1 1 84 84 ARG CD C 13 40.968 0.098 . 1 . . . A 84 ARG CD . 18734 1 889 . 1 1 84 84 ARG N N 15 111.791 0.148 . 1 . . . A 84 ARG N . 18734 1 890 . 1 1 85 85 ASP H H 1 7.200 0.005 . 1 . . . A 85 ASP H . 18734 1 891 . 1 1 85 85 ASP HA H 1 4.373 0.005 . 1 . . . A 85 ASP HA . 18734 1 892 . 1 1 85 85 ASP HB2 H 1 3.301 0.005 . 1 . . . A 85 ASP HB2 . 18734 1 893 . 1 1 85 85 ASP HB3 H 1 2.904 0.005 . 1 . . . A 85 ASP HB3 . 18734 1 894 . 1 1 85 85 ASP CA C 13 52.852 0.098 . 1 . . . A 85 ASP CA . 18734 1 895 . 1 1 85 85 ASP CB C 13 42.482 0.098 . 1 . . . A 85 ASP CB . 18734 1 896 . 1 1 85 85 ASP N N 15 123.157 0.148 . 1 . . . A 85 ASP N . 18734 1 897 . 1 1 86 86 TYR H H 1 8.440 0.005 . 1 . . . A 86 TYR H . 18734 1 898 . 1 1 86 86 TYR HA H 1 4.092 0.005 . 1 . . . A 86 TYR HA . 18734 1 899 . 1 1 86 86 TYR HB2 H 1 3.138 0.005 . 1 . . . A 86 TYR HB2 . 18734 1 900 . 1 1 86 86 TYR HB3 H 1 2.949 0.005 . 1 . . . A 86 TYR HB3 . 18734 1 901 . 1 1 86 86 TYR HD1 H 1 7.094 0.005 . 1 . . . A 86 TYR QD . 18734 1 902 . 1 1 86 86 TYR HD2 H 1 7.094 0.005 . 1 . . . A 86 TYR QD . 18734 1 903 . 1 1 86 86 TYR HE1 H 1 6.835 0.005 . 1 . . . A 86 TYR QE . 18734 1 904 . 1 1 86 86 TYR HE2 H 1 6.835 0.005 . 1 . . . A 86 TYR QE . 18734 1 905 . 1 1 86 86 TYR CA C 13 58.674 0.098 . 1 . . . A 86 TYR CA . 18734 1 906 . 1 1 86 86 TYR CB C 13 35.801 0.098 . 1 . . . A 86 TYR CB . 18734 1 907 . 1 1 86 86 TYR CD1 C 13 130.427 0.098 . 1 . . . A 86 TYR CD1 . 18734 1 908 . 1 1 86 86 TYR CE1 C 13 115.616 0.098 . 1 . . . A 86 TYR CE1 . 18734 1 909 . 1 1 86 86 TYR N N 15 123.389 0.148 . 1 . . . A 86 TYR N . 18734 1 910 . 1 1 87 87 PHE H H 1 7.931 0.005 . 1 . . . A 87 PHE H . 18734 1 911 . 1 1 87 87 PHE HA H 1 4.378 0.005 . 1 . . . A 87 PHE HA . 18734 1 912 . 1 1 87 87 PHE HB2 H 1 2.890 0.005 . 1 . . . A 87 PHE HB2 . 18734 1 913 . 1 1 87 87 PHE HB3 H 1 2.720 0.005 . 1 . . . A 87 PHE HB3 . 18734 1 914 . 1 1 87 87 PHE HD1 H 1 6.090 0.005 . 1 . . . A 87 PHE QD . 18734 1 915 . 1 1 87 87 PHE HD2 H 1 6.090 0.005 . 1 . . . A 87 PHE QD . 18734 1 916 . 1 1 87 87 PHE HE1 H 1 7.156 0.005 . 1 . . . A 87 PHE QE . 18734 1 917 . 1 1 87 87 PHE HE2 H 1 7.156 0.005 . 1 . . . A 87 PHE QE . 18734 1 918 . 1 1 87 87 PHE CA C 13 57.433 0.098 . 1 . . . A 87 PHE CA . 18734 1 919 . 1 1 87 87 PHE CB C 13 37.442 0.098 . 1 . . . A 87 PHE CB . 18734 1 920 . 1 1 87 87 PHE CD2 C 13 128.471 0.098 . 1 . . . A 87 PHE CD2 . 18734 1 921 . 1 1 87 87 PHE CE2 C 13 128.106 0.098 . 1 . . . A 87 PHE CE2 . 18734 1 922 . 1 1 87 87 PHE N N 15 117.092 0.148 . 1 . . . A 87 PHE N . 18734 1 923 . 1 1 88 88 TRP H H 1 9.757 0.005 . 1 . . . A 88 TRP H . 18734 1 924 . 1 1 88 88 TRP HA H 1 3.798 0.005 . 1 . . . A 88 TRP HA . 18734 1 925 . 1 1 88 88 TRP HB2 H 1 3.597 0.005 . 1 . . . A 88 TRP QB . 18734 1 926 . 1 1 88 88 TRP HB3 H 1 3.597 0.005 . 1 . . . A 88 TRP QB . 18734 1 927 . 1 1 88 88 TRP HD1 H 1 7.508 0.005 . 1 . . . A 88 TRP HD1 . 18734 1 928 . 1 1 88 88 TRP HE1 H 1 9.859 0.005 . 1 . . . A 88 TRP HE1 . 18734 1 929 . 1 1 88 88 TRP HE3 H 1 7.614 0.005 . 1 . . . A 88 TRP HE3 . 18734 1 930 . 1 1 88 88 TRP HZ2 H 1 7.077 0.005 . 1 . . . A 88 TRP HZ2 . 18734 1 931 . 1 1 88 88 TRP HZ3 H 1 6.482 0.005 . 1 . . . A 88 TRP HZ3 . 18734 1 932 . 1 1 88 88 TRP HH2 H 1 6.771 0.005 . 1 . . . A 88 TRP HH2 . 18734 1 933 . 1 1 88 88 TRP CA C 13 59.544 0.098 . 1 . . . A 88 TRP CA . 18734 1 934 . 1 1 88 88 TRP CB C 13 26.293 0.098 . 1 . . . A 88 TRP CB . 18734 1 935 . 1 1 88 88 TRP CD1 C 13 125.538 0.098 . 1 . . . A 88 TRP CD1 . 18734 1 936 . 1 1 88 88 TRP CE3 C 13 117.050 0.098 . 1 . . . A 88 TRP CE3 . 18734 1 937 . 1 1 88 88 TRP CZ2 C 13 111.248 0.098 . 1 . . . A 88 TRP CZ2 . 18734 1 938 . 1 1 88 88 TRP CZ3 C 13 118.663 0.098 . 1 . . . A 88 TRP CZ3 . 18734 1 939 . 1 1 88 88 TRP CH2 C 13 120.967 0.098 . 1 . . . A 88 TRP CH2 . 18734 1 940 . 1 1 88 88 TRP N N 15 121.396 0.148 . 1 . . . A 88 TRP N . 18734 1 941 . 1 1 88 88 TRP NE1 N 15 128.003 0.148 . 1 . . . A 88 TRP NE1 . 18734 1 942 . 1 1 89 89 GLN H H 1 8.490 0.005 . 1 . . . A 89 GLN H . 18734 1 943 . 1 1 89 89 GLN HA H 1 4.393 0.005 . 1 . . . A 89 GLN HA . 18734 1 944 . 1 1 89 89 GLN HB2 H 1 2.117 0.005 . 1 . . . A 89 GLN HB2 . 18734 1 945 . 1 1 89 89 GLN HB3 H 1 1.993 0.005 . 1 . . . A 89 GLN HB3 . 18734 1 946 . 1 1 89 89 GLN HG2 H 1 1.912 0.005 . 1 . . . A 89 GLN HG2 . 18734 1 947 . 1 1 89 89 GLN HG3 H 1 2.292 0.005 . 1 . . . A 89 GLN HG3 . 18734 1 948 . 1 1 89 89 GLN HE21 H 1 6.679 0.005 . 1 . . . A 89 GLN HE21 . 18734 1 949 . 1 1 89 89 GLN HE22 H 1 7.172 0.005 . 1 . . . A 89 GLN HE22 . 18734 1 950 . 1 1 89 89 GLN CA C 13 55.882 0.098 . 1 . . . A 89 GLN CA . 18734 1 951 . 1 1 89 89 GLN CB C 13 25.077 0.098 . 1 . . . A 89 GLN CB . 18734 1 952 . 1 1 89 89 GLN CG C 13 30.198 0.098 . 1 . . . A 89 GLN CG . 18734 1 953 . 1 1 89 89 GLN N N 15 117.760 0.148 . 1 . . . A 89 GLN N . 18734 1 954 . 1 1 89 89 GLN NE2 N 15 111.323 0.148 . 1 . . . A 89 GLN NE2 . 18734 1 955 . 1 1 90 90 THR H H 1 7.932 0.005 . 1 . . . A 90 THR H . 18734 1 956 . 1 1 90 90 THR HA H 1 3.686 0.005 . 1 . . . A 90 THR HA . 18734 1 957 . 1 1 90 90 THR HB H 1 3.299 0.005 . 1 . . . A 90 THR HB . 18734 1 958 . 1 1 90 90 THR HG21 H 1 0.489 0.005 . 1 . . . A 90 THR QG2 . 18734 1 959 . 1 1 90 90 THR HG22 H 1 0.489 0.005 . 1 . . . A 90 THR QG2 . 18734 1 960 . 1 1 90 90 THR HG23 H 1 0.489 0.005 . 1 . . . A 90 THR QG2 . 18734 1 961 . 1 1 90 90 THR CA C 13 62.770 0.098 . 1 . . . A 90 THR CA . 18734 1 962 . 1 1 90 90 THR CB C 13 66.664 0.098 . 1 . . . A 90 THR CB . 18734 1 963 . 1 1 90 90 THR CG2 C 13 18.372 0.098 . 1 . . . A 90 THR CG2 . 18734 1 964 . 1 1 90 90 THR N N 15 118.285 0.148 . 1 . . . A 90 THR N . 18734 1 965 . 1 1 91 91 TYR H H 1 8.009 0.005 . 1 . . . A 91 TYR H . 18734 1 966 . 1 1 91 91 TYR HA H 1 4.975 0.005 . 1 . . . A 91 TYR HA . 18734 1 967 . 1 1 91 91 TYR HB2 H 1 2.842 0.005 . 1 . . . A 91 TYR HB2 . 18734 1 968 . 1 1 91 91 TYR HB3 H 1 3.879 0.005 . 1 . . . A 91 TYR HB3 . 18734 1 969 . 1 1 91 91 TYR HD1 H 1 6.791 0.005 . 1 . . . A 91 TYR QD . 18734 1 970 . 1 1 91 91 TYR HD2 H 1 6.791 0.005 . 1 . . . A 91 TYR QD . 18734 1 971 . 1 1 91 91 TYR HE1 H 1 6.590 0.005 . 1 . . . A 91 TYR QE . 18734 1 972 . 1 1 91 91 TYR HE2 H 1 6.590 0.005 . 1 . . . A 91 TYR QE . 18734 1 973 . 1 1 91 91 TYR CA C 13 55.511 0.098 . 1 . . . A 91 TYR CA . 18734 1 974 . 1 1 91 91 TYR CB C 13 37.126 0.098 . 1 . . . A 91 TYR CB . 18734 1 975 . 1 1 91 91 TYR CD2 C 13 130.000 0.098 . 1 . . . A 91 TYR CD2 . 18734 1 976 . 1 1 91 91 TYR CE2 C 13 115.337 0.098 . 1 . . . A 91 TYR CE2 . 18734 1 977 . 1 1 91 91 TYR N N 15 118.448 0.148 . 1 . . . A 91 TYR N . 18734 1 978 . 1 1 92 92 ALA H H 1 7.665 0.005 . 1 . . . A 92 ALA H . 18734 1 979 . 1 1 92 92 ALA HA H 1 3.843 0.005 . 1 . . . A 92 ALA HA . 18734 1 980 . 1 1 92 92 ALA HB1 H 1 1.589 0.005 . 1 . . . A 92 ALA QB . 18734 1 981 . 1 1 92 92 ALA HB2 H 1 1.589 0.005 . 1 . . . A 92 ALA QB . 18734 1 982 . 1 1 92 92 ALA HB3 H 1 1.589 0.005 . 1 . . . A 92 ALA QB . 18734 1 983 . 1 1 92 92 ALA CA C 13 54.108 0.098 . 1 . . . A 92 ALA CA . 18734 1 984 . 1 1 92 92 ALA CB C 13 16.505 0.098 . 1 . . . A 92 ALA CB . 18734 1 985 . 1 1 92 92 ALA N N 15 122.351 0.148 . 1 . . . A 92 ALA N . 18734 1 986 . 1 1 93 93 ALA H H 1 8.275 0.005 . 1 . . . A 93 ALA H . 18734 1 987 . 1 1 93 93 ALA HA H 1 3.702 0.005 . 1 . . . A 93 ALA HA . 18734 1 988 . 1 1 93 93 ALA HB1 H 1 0.135 0.005 . 1 . . . A 93 ALA QB . 18734 1 989 . 1 1 93 93 ALA HB2 H 1 0.135 0.005 . 1 . . . A 93 ALA QB . 18734 1 990 . 1 1 93 93 ALA HB3 H 1 0.135 0.005 . 1 . . . A 93 ALA QB . 18734 1 991 . 1 1 93 93 ALA CA C 13 51.371 0.098 . 1 . . . A 93 ALA CA . 18734 1 992 . 1 1 93 93 ALA CB C 13 14.292 0.098 . 1 . . . A 93 ALA CB . 18734 1 993 . 1 1 93 93 ALA N N 15 117.548 0.148 . 1 . . . A 93 ALA N . 18734 1 994 . 1 1 94 94 TRP H H 1 8.203 0.005 . 1 . . . A 94 TRP H . 18734 1 995 . 1 1 94 94 TRP HA H 1 4.669 0.005 . 1 . . . A 94 TRP HA . 18734 1 996 . 1 1 94 94 TRP HB2 H 1 3.749 0.005 . 1 . . . A 94 TRP HB2 . 18734 1 997 . 1 1 94 94 TRP HB3 H 1 2.954 0.005 . 1 . . . A 94 TRP HB3 . 18734 1 998 . 1 1 94 94 TRP HD1 H 1 7.029 0.005 . 1 . . . A 94 TRP HD1 . 18734 1 999 . 1 1 94 94 TRP HE1 H 1 9.966 0.005 . 1 . . . A 94 TRP HE1 . 18734 1 1000 . 1 1 94 94 TRP HE3 H 1 7.542 0.005 . 1 . . . A 94 TRP HE3 . 18734 1 1001 . 1 1 94 94 TRP HZ2 H 1 7.349 0.005 . 1 . . . A 94 TRP HZ2 . 18734 1 1002 . 1 1 94 94 TRP HZ3 H 1 7.128 0.005 . 1 . . . A 94 TRP HZ3 . 18734 1 1003 . 1 1 94 94 TRP HH2 H 1 7.124 0.005 . 1 . . . A 94 TRP HH2 . 18734 1 1004 . 1 1 94 94 TRP CB C 13 26.912 0.098 . 1 . . . A 94 TRP CB . 18734 1 1005 . 1 1 94 94 TRP CD1 C 13 123.531 0.098 . 1 . . . A 94 TRP CD1 . 18734 1 1006 . 1 1 94 94 TRP CE3 C 13 116.771 0.098 . 1 . . . A 94 TRP CE3 . 18734 1 1007 . 1 1 94 94 TRP CZ2 C 13 112.035 0.098 . 1 . . . A 94 TRP CZ2 . 18734 1 1008 . 1 1 94 94 TRP CZ3 C 13 118.881 0.098 . 1 . . . A 94 TRP CZ3 . 18734 1 1009 . 1 1 94 94 TRP CH2 C 13 121.566 0.098 . 1 . . . A 94 TRP CH2 . 18734 1 1010 . 1 1 94 94 TRP N N 15 115.303 0.148 . 1 . . . A 94 TRP N . 18734 1 1011 . 1 1 94 94 TRP NE1 N 15 129.360 0.148 . 1 . . . A 94 TRP NE1 . 18734 1 1012 . 1 1 95 95 ILE H H 1 7.153 0.005 . 1 . . . A 95 ILE H . 18734 1 1013 . 1 1 95 95 ILE HA H 1 5.325 0.005 . 1 . . . A 95 ILE HA . 18734 1 1014 . 1 1 95 95 ILE HB H 1 1.500 0.005 . 1 . . . A 95 ILE HB . 18734 1 1015 . 1 1 95 95 ILE HG12 H 1 2.115 0.005 . 1 . . . A 95 ILE HG12 . 18734 1 1016 . 1 1 95 95 ILE HG13 H 1 0.676 0.005 . 1 . . . A 95 ILE HG13 . 18734 1 1017 . 1 1 95 95 ILE HG21 H 1 0.612 0.005 . 1 . . . A 95 ILE QG2 . 18734 1 1018 . 1 1 95 95 ILE HG22 H 1 0.612 0.005 . 1 . . . A 95 ILE QG2 . 18734 1 1019 . 1 1 95 95 ILE HG23 H 1 0.612 0.005 . 1 . . . A 95 ILE QG2 . 18734 1 1020 . 1 1 95 95 ILE HD11 H 1 0.892 0.005 . 1 . . . A 95 ILE QD1 . 18734 1 1021 . 1 1 95 95 ILE HD12 H 1 0.892 0.005 . 1 . . . A 95 ILE QD1 . 18734 1 1022 . 1 1 95 95 ILE HD13 H 1 0.892 0.005 . 1 . . . A 95 ILE QD1 . 18734 1 1023 . 1 1 95 95 ILE CA C 13 57.930 0.098 . 1 . . . A 95 ILE CA . 18734 1 1024 . 1 1 95 95 ILE CB C 13 36.508 0.098 . 1 . . . A 95 ILE CB . 18734 1 1025 . 1 1 95 95 ILE CG1 C 13 25.699 0.098 . 1 . . . A 95 ILE CG1 . 18734 1 1026 . 1 1 95 95 ILE CG2 C 13 16.037 0.098 . 1 . . . A 95 ILE CG2 . 18734 1 1027 . 1 1 95 95 ILE CD1 C 13 11.932 0.098 . 1 . . . A 95 ILE CD1 . 18734 1 1028 . 1 1 95 95 ILE N N 15 120.680 0.148 . 1 . . . A 95 ILE N . 18734 1 1029 . 1 1 96 96 GLN H H 1 9.189 0.005 . 1 . . . A 96 GLN H . 18734 1 1030 . 1 1 96 96 GLN HA H 1 4.691 0.005 . 1 . . . A 96 GLN HA . 18734 1 1031 . 1 1 96 96 GLN HB2 H 1 1.620 0.005 . 1 . . . A 96 GLN HB2 . 18734 1 1032 . 1 1 96 96 GLN HB3 H 1 2.149 0.005 . 1 . . . A 96 GLN HB3 . 18734 1 1033 . 1 1 96 96 GLN HG2 H 1 2.153 0.005 . 1 . . . A 96 GLN HG2 . 18734 1 1034 . 1 1 96 96 GLN HG3 H 1 2.293 0.005 . 1 . . . A 96 GLN HG3 . 18734 1 1035 . 1 1 96 96 GLN HE21 H 1 7.089 0.005 . 1 . . . A 96 GLN HE21 . 18734 1 1036 . 1 1 96 96 GLN HE22 H 1 6.726 0.005 . 1 . . . A 96 GLN HE22 . 18734 1 1037 . 1 1 96 96 GLN CB C 13 28.885 0.098 . 1 . . . A 96 GLN CB . 18734 1 1038 . 1 1 96 96 GLN CG C 13 30.562 0.098 . 1 . . . A 96 GLN CG . 18734 1 1039 . 1 1 96 96 GLN N N 15 128.223 0.148 . 1 . . . A 96 GLN N . 18734 1 1040 . 1 1 96 96 GLN NE2 N 15 110.954 0.148 . 1 . . . A 96 GLN NE2 . 18734 1 1041 . 1 1 97 97 PRO HA H 1 4.833 0.005 . 1 . . . A 97 PRO HA . 18734 1 1042 . 1 1 97 97 PRO HB2 H 1 1.963 0.005 . 1 . . . A 97 PRO HB2 . 18734 1 1043 . 1 1 97 97 PRO HB3 H 1 1.941 0.005 . 1 . . . A 97 PRO HB3 . 18734 1 1044 . 1 1 97 97 PRO HG2 H 1 2.158 0.005 . 1 . . . A 97 PRO HG2 . 18734 1 1045 . 1 1 97 97 PRO HG3 H 1 2.058 0.005 . 1 . . . A 97 PRO HG3 . 18734 1 1046 . 1 1 97 97 PRO HD2 H 1 3.819 0.005 . 1 . . . A 97 PRO HD2 . 18734 1 1047 . 1 1 97 97 PRO HD3 H 1 3.439 0.005 . 1 . . . A 97 PRO HD3 . 18734 1 1048 . 1 1 97 97 PRO CA C 13 59.122 0.098 . 1 . . . A 97 PRO CA . 18734 1 1049 . 1 1 97 97 PRO CB C 13 29.515 0.098 . 1 . . . A 97 PRO CB . 18734 1 1050 . 1 1 97 97 PRO CG C 13 24.596 0.098 . 1 . . . A 97 PRO CG . 18734 1 1051 . 1 1 97 97 PRO CD C 13 46.907 0.098 . 1 . . . A 97 PRO CD . 18734 1 1052 . 1 1 98 98 MET H H 1 8.551 0.005 . 1 . . . A 98 MET H . 18734 1 1053 . 1 1 98 98 MET HA H 1 4.116 0.005 . 1 . . . A 98 MET HA . 18734 1 1054 . 1 1 98 98 MET HB2 H 1 1.761 0.005 . 1 . . . A 98 MET HB2 . 18734 1 1055 . 1 1 98 98 MET HB3 H 1 1.642 0.005 . 1 . . . A 98 MET HB3 . 18734 1 1056 . 1 1 98 98 MET HG2 H 1 2.165 0.005 . 1 . . . A 98 MET HG2 . 18734 1 1057 . 1 1 98 98 MET HG3 H 1 2.304 0.005 . 1 . . . A 98 MET HG3 . 18734 1 1058 . 1 1 98 98 MET HE1 H 1 1.834 0.005 . 1 . . . A 98 MET QE . 18734 1 1059 . 1 1 98 98 MET HE2 H 1 1.834 0.005 . 1 . . . A 98 MET QE . 18734 1 1060 . 1 1 98 98 MET HE3 H 1 1.834 0.005 . 1 . . . A 98 MET QE . 18734 1 1061 . 1 1 98 98 MET CA C 13 52.944 0.098 . 1 . . . A 98 MET CA . 18734 1 1062 . 1 1 98 98 MET CB C 13 30.981 0.098 . 1 . . . A 98 MET CB . 18734 1 1063 . 1 1 98 98 MET CG C 13 29.313 0.098 . 1 . . . A 98 MET CG . 18734 1 1064 . 1 1 98 98 MET CE C 13 14.932 0.098 . 1 . . . A 98 MET CE . 18734 1 1065 . 1 1 98 98 MET N N 15 120.815 0.148 . 1 . . . A 98 MET N . 18734 1 1066 . 1 1 99 99 GLU H H 1 8.532 0.005 . 1 . . . A 99 GLU H . 18734 1 1067 . 1 1 99 99 GLU HA H 1 4.220 0.005 . 1 . . . A 99 GLU HA . 18734 1 1068 . 1 1 99 99 GLU HB2 H 1 1.952 0.005 . 1 . . . A 99 GLU HB2 . 18734 1 1069 . 1 1 99 99 GLU HB3 H 1 1.838 0.005 . 1 . . . A 99 GLU HB3 . 18734 1 1070 . 1 1 99 99 GLU HG2 H 1 2.198 0.005 . 1 . . . A 99 GLU QG . 18734 1 1071 . 1 1 99 99 GLU HG3 H 1 2.198 0.005 . 1 . . . A 99 GLU QG . 18734 1 1072 . 1 1 99 99 GLU CA C 13 53.952 0.098 . 1 . . . A 99 GLU CA . 18734 1 1073 . 1 1 99 99 GLU CB C 13 27.803 0.098 . 1 . . . A 99 GLU CB . 18734 1 1074 . 1 1 99 99 GLU CG C 13 33.675 0.098 . 1 . . . A 99 GLU CG . 18734 1 1075 . 1 1 99 99 GLU N N 15 124.677 0.148 . 1 . . . A 99 GLU N . 18734 1 1076 . 1 1 100 100 GLN H H 1 8.019 0.005 . 1 . . . A 100 GLN H . 18734 1 1077 . 1 1 100 100 GLN HA H 1 4.059 0.005 . 1 . . . A 100 GLN HA . 18734 1 1078 . 1 1 100 100 GLN HB2 H 1 2.010 0.005 . 1 . . . A 100 GLN HB2 . 18734 1 1079 . 1 1 100 100 GLN HB3 H 1 1.952 0.005 . 1 . . . A 100 GLN HB3 . 18734 1 1080 . 1 1 100 100 GLN HG2 H 1 2.204 0.005 . 1 . . . A 100 GLN QG . 18734 1 1081 . 1 1 100 100 GLN HG3 H 1 2.204 0.005 . 1 . . . A 100 GLN QG . 18734 1 1082 . 1 1 100 100 GLN HE21 H 1 6.779 0.005 . 1 . . . A 100 GLN HE21 . 18734 1 1083 . 1 1 100 100 GLN HE22 H 1 7.463 0.005 . 1 . . . A 100 GLN HE22 . 18734 1 1084 . 1 1 100 100 GLN CA C 13 54.668 0.098 . 1 . . . A 100 GLN CA . 18734 1 1085 . 1 1 100 100 GLN CB C 13 28.064 0.098 . 1 . . . A 100 GLN CB . 18734 1 1086 . 1 1 100 100 GLN CG C 13 31.864 0.098 . 1 . . . A 100 GLN CG . 18734 1 1087 . 1 1 100 100 GLN N N 15 126.610 0.148 . 1 . . . A 100 GLN N . 18734 1 1088 . 1 1 100 100 GLN NE2 N 15 112.220 0.148 . 1 . . . A 100 GLN NE2 . 18734 1 stop_ save_