data_17105 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17105 _Entry.Title ; Solution Structure of the N-terminal Domain of NP_954075.1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-05 _Entry.Accession_date 2010-08-05 _Entry.Last_release_date 2010-08-18 _Entry.Original_release_date 2010-08-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION 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 Lukas Susac . . . 17105 2 Pedro Serrano . . . 17105 3 Michael Geralt . . . 17105 4 Kurt Wuthrich . . . 17105 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 . 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 17105 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID GSU3033 . 17105 NP_954075.1 . 17105 PilZ . 17105 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17105 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 353 17105 '15N chemical shifts' 113 17105 '1H chemical shifts' 732 17105 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-08-18 2010-08-05 original author . 17105 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L1T 'BMRB Entry Tracking System' 17105 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17105 _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 protein NP_954075.1 from Geobacter sulfurreducens' _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 Lukas Susac . . . 17105 1 2 Pedro Serrano . . . 17105 1 3 Michael Geralt . . . 17105 1 4 Kurt Wuthrich . . . 17105 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17105 _Assembly.ID 1 _Assembly.Name NP_954075.1 _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 NP_954075.1 1 $NP_954075.1 A . yes native no no . . . 17105 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NP_954075.1 _Entity.Sf_category entity _Entity.Sf_framecode NP_954075.1 _Entity.Entry_ID 17105 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NP_954075.1 _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 ; GMSADGSEYGRYFEQLQKVN LTVRLGDTGSFDGTAAITSL KGSLAWLELFGAEQPPPNTL SEGAEVSVSVWTGGALCRCD GRVETLRDDRQFAIRLVGRV RELQRREYF ; _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 109 _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 12045.543 _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 2L1T . "Solution Structure Of The N-Terminal Domain Of Np_954075.1" . . . . . 100.00 109 100.00 100.00 1.08e-71 . . . . 17105 1 2 no GB AAR36425 . "PilZ domain protein [Geobacter sulfurreducens PCA]" . . . . . 99.08 267 100.00 100.00 2.30e-69 . . . . 17105 1 3 no GB ADI85785 . "PilZ domain protein [Geobacter sulfurreducens KN400]" . . . . . 99.08 267 100.00 100.00 2.06e-69 . . . . 17105 1 4 no GB AJY69279 . "pilus assembly protein PilZ [Geobacter sulfurreducens]" . . . . . 99.08 267 100.00 100.00 2.06e-69 . . . . 17105 1 5 no REF NP_954075 . "PilZ domain-containing protein [Geobacter sulfurreducens PCA]" . . . . . 99.08 267 100.00 100.00 2.30e-69 . . . . 17105 1 6 no REF WP_010943660 . "pilus protein PilZ [Geobacter sulfurreducens]" . . . . . 99.08 267 100.00 100.00 2.30e-69 . . . . 17105 1 7 no REF WP_014552065 . "pilus protein PilZ [Geobacter sulfurreducens]" . . . . . 99.08 267 100.00 100.00 2.06e-69 . . . . 17105 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 . GLY . 17105 1 2 . MET . 17105 1 3 . SER . 17105 1 4 . ALA . 17105 1 5 . ASP . 17105 1 6 . GLY . 17105 1 7 . SER . 17105 1 8 . GLU . 17105 1 9 . TYR . 17105 1 10 . GLY . 17105 1 11 . ARG . 17105 1 12 . TYR . 17105 1 13 . PHE . 17105 1 14 . GLU . 17105 1 15 . GLN . 17105 1 16 . LEU . 17105 1 17 . GLN . 17105 1 18 . LYS . 17105 1 19 . VAL . 17105 1 20 . ASN . 17105 1 21 . LEU . 17105 1 22 . THR . 17105 1 23 . VAL . 17105 1 24 . ARG . 17105 1 25 . LEU . 17105 1 26 . GLY . 17105 1 27 . ASP . 17105 1 28 . THR . 17105 1 29 . GLY . 17105 1 30 . SER . 17105 1 31 . PHE . 17105 1 32 . ASP . 17105 1 33 . GLY . 17105 1 34 . THR . 17105 1 35 . ALA . 17105 1 36 . ALA . 17105 1 37 . ILE . 17105 1 38 . THR . 17105 1 39 . SER . 17105 1 40 . LEU . 17105 1 41 . LYS . 17105 1 42 . GLY . 17105 1 43 . SER . 17105 1 44 . LEU . 17105 1 45 . ALA . 17105 1 46 . TRP . 17105 1 47 . LEU . 17105 1 48 . GLU . 17105 1 49 . LEU . 17105 1 50 . PHE . 17105 1 51 . GLY . 17105 1 52 . ALA . 17105 1 53 . GLU . 17105 1 54 . GLN . 17105 1 55 . PRO . 17105 1 56 . PRO . 17105 1 57 . PRO . 17105 1 58 . ASN . 17105 1 59 . THR . 17105 1 60 . LEU . 17105 1 61 . SER . 17105 1 62 . GLU . 17105 1 63 . GLY . 17105 1 64 . ALA . 17105 1 65 . GLU . 17105 1 66 . VAL . 17105 1 67 . SER . 17105 1 68 . VAL . 17105 1 69 . SER . 17105 1 70 . VAL . 17105 1 71 . TRP . 17105 1 72 . THR . 17105 1 73 . GLY . 17105 1 74 . GLY . 17105 1 75 . ALA . 17105 1 76 . LEU . 17105 1 77 . CYS . 17105 1 78 . ARG . 17105 1 79 . CYS . 17105 1 80 . ASP . 17105 1 81 . GLY . 17105 1 82 . ARG . 17105 1 83 . VAL . 17105 1 84 . GLU . 17105 1 85 . THR . 17105 1 86 . LEU . 17105 1 87 . ARG . 17105 1 88 . ASP . 17105 1 89 . ASP . 17105 1 90 . ARG . 17105 1 91 . GLN . 17105 1 92 . PHE . 17105 1 93 . ALA . 17105 1 94 . ILE . 17105 1 95 . ARG . 17105 1 96 . LEU . 17105 1 97 . VAL . 17105 1 98 . GLY . 17105 1 99 . ARG . 17105 1 100 . VAL . 17105 1 101 . ARG . 17105 1 102 . GLU . 17105 1 103 . LEU . 17105 1 104 . GLN . 17105 1 105 . ARG . 17105 1 106 . ARG . 17105 1 107 . GLU . 17105 1 108 . TYR . 17105 1 109 . PHE . 17105 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 17105 1 . MET 2 2 17105 1 . SER 3 3 17105 1 . ALA 4 4 17105 1 . ASP 5 5 17105 1 . GLY 6 6 17105 1 . SER 7 7 17105 1 . GLU 8 8 17105 1 . TYR 9 9 17105 1 . GLY 10 10 17105 1 . ARG 11 11 17105 1 . TYR 12 12 17105 1 . PHE 13 13 17105 1 . GLU 14 14 17105 1 . GLN 15 15 17105 1 . LEU 16 16 17105 1 . GLN 17 17 17105 1 . LYS 18 18 17105 1 . VAL 19 19 17105 1 . ASN 20 20 17105 1 . LEU 21 21 17105 1 . THR 22 22 17105 1 . VAL 23 23 17105 1 . ARG 24 24 17105 1 . LEU 25 25 17105 1 . GLY 26 26 17105 1 . ASP 27 27 17105 1 . THR 28 28 17105 1 . GLY 29 29 17105 1 . SER 30 30 17105 1 . PHE 31 31 17105 1 . ASP 32 32 17105 1 . GLY 33 33 17105 1 . THR 34 34 17105 1 . ALA 35 35 17105 1 . ALA 36 36 17105 1 . ILE 37 37 17105 1 . THR 38 38 17105 1 . SER 39 39 17105 1 . LEU 40 40 17105 1 . LYS 41 41 17105 1 . GLY 42 42 17105 1 . SER 43 43 17105 1 . LEU 44 44 17105 1 . ALA 45 45 17105 1 . TRP 46 46 17105 1 . LEU 47 47 17105 1 . GLU 48 48 17105 1 . LEU 49 49 17105 1 . PHE 50 50 17105 1 . GLY 51 51 17105 1 . ALA 52 52 17105 1 . GLU 53 53 17105 1 . GLN 54 54 17105 1 . PRO 55 55 17105 1 . PRO 56 56 17105 1 . PRO 57 57 17105 1 . ASN 58 58 17105 1 . THR 59 59 17105 1 . LEU 60 60 17105 1 . SER 61 61 17105 1 . GLU 62 62 17105 1 . GLY 63 63 17105 1 . ALA 64 64 17105 1 . GLU 65 65 17105 1 . VAL 66 66 17105 1 . SER 67 67 17105 1 . VAL 68 68 17105 1 . SER 69 69 17105 1 . VAL 70 70 17105 1 . TRP 71 71 17105 1 . THR 72 72 17105 1 . GLY 73 73 17105 1 . GLY 74 74 17105 1 . ALA 75 75 17105 1 . LEU 76 76 17105 1 . CYS 77 77 17105 1 . ARG 78 78 17105 1 . CYS 79 79 17105 1 . ASP 80 80 17105 1 . GLY 81 81 17105 1 . ARG 82 82 17105 1 . VAL 83 83 17105 1 . GLU 84 84 17105 1 . THR 85 85 17105 1 . LEU 86 86 17105 1 . ARG 87 87 17105 1 . ASP 88 88 17105 1 . ASP 89 89 17105 1 . ARG 90 90 17105 1 . GLN 91 91 17105 1 . PHE 92 92 17105 1 . ALA 93 93 17105 1 . ILE 94 94 17105 1 . ARG 95 95 17105 1 . LEU 96 96 17105 1 . VAL 97 97 17105 1 . GLY 98 98 17105 1 . ARG 99 99 17105 1 . VAL 100 100 17105 1 . ARG 101 101 17105 1 . GLU 102 102 17105 1 . LEU 103 103 17105 1 . GLN 104 104 17105 1 . ARG 105 105 17105 1 . ARG 106 106 17105 1 . GLU 107 107 17105 1 . TYR 108 108 17105 1 . PHE 109 109 17105 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 17105 _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 $NP_954075.1 . 35554 organism . 'Geobacter sulfurreducens' d-proteobacteria . . bacteria . Geobacter sulfurreducens . . . . . . . . . . . . . . . . . . . . . 17105 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 17105 _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 $NP_954075.1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . . . . . . . . . . . pSpeedET . . . . . . 17105 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17105 _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 NP_954075.1 '[U-95% 13C; U-95% 15N]' . . 1 $NP_954075.1 . . 0.9 . . mM . . . . 17105 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 17105 1 3 'sodium azide' 'natural abundance' . . . . . . 4.5 . . mM . . . . 17105 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17105 1 5 H2O 'natural abundance' . . . . . . 5 . . % . . . . 17105 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 17105 _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' 0.075 . M 17105 1 pH 7.0 . pH 17105 1 pressure 1 . atm 17105 1 temperature 298 . K 17105 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17105 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17105 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17105 1 'peak picking' 17105 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17105 _Software.ID 2 _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' . . 17105 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17105 2 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 17105 _Software.ID 3 _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' . . 17105 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17105 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17105 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17105 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17105 4 processing 17105 4 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 17105 _Software.ID 5 _Software.Name UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Hermann and Wuthrich' . . 17105 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17105 5 'peak picking' 17105 5 'structure solution' 17105 5 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 17105 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _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 17105 _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 17105 _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 . . . 17105 1 2 spectrometer_2 Bruker Avance . 800 . . . 17105 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 17105 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17105 1 2 '3D 1H-13C NOESY (ali)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17105 1 3 '4D APSY-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17105 1 4 '5D APSY-HACA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17105 1 5 '5D APSY-CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17105 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17105 1 7 '3D 1H-13C NOESY (aro)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17105 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 17105 _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 . . . . . . . . . 17105 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . 0.1043 . . 17105 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17105 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 17105 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 17105 1 2 '3D 1H-13C NOESY (ali)' . . . 17105 1 3 '4D APSY-HACANH' . . . 17105 1 4 '5D APSY-HACA(CO)NH' . . . 17105 1 5 '5D APSY-CBCA(CO)NH' . . . 17105 1 6 '2D 1H-15N HSQC' . . . 17105 1 7 '3D 1H-13C NOESY (aro)' . . . 17105 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CARA . . 17105 1 5 $UNIO . . 17105 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 MET HG2 H 1 2.519 0.003 . 2 . . . . 2 M HG2 . 17105 1 2 . 1 1 2 2 MET HG3 H 1 2.486 0.003 . 2 . . . . 2 M HG3 . 17105 1 3 . 1 1 2 2 MET CE C 13 16.895 0.16 . 1 . . . . 2 M CE . 17105 1 4 . 1 1 2 2 MET CG C 13 31.863 0.16 . 1 . . . . 2 M CG . 17105 1 5 . 1 1 3 3 SER HA H 1 4.380 0.003 . 1 . . . . 3 S HA . 17105 1 6 . 1 1 3 3 SER HB2 H 1 3.809 0.003 . 2 . . . . 3 S QB . 17105 1 7 . 1 1 3 3 SER HB3 H 1 3.809 0.003 . 2 . . . . 3 S QB . 17105 1 8 . 1 1 3 3 SER CA C 13 58.339 0.16 . 1 . . . . 3 S CA . 17105 1 9 . 1 1 3 3 SER CB C 13 63.934 0.16 . 1 . . . . 3 S CB . 17105 1 10 . 1 1 4 4 ALA H H 1 8.473 0.003 . 1 . . . . 4 A H . 17105 1 11 . 1 1 4 4 ALA HA H 1 4.296 0.003 . 1 . . . . 4 A HA . 17105 1 12 . 1 1 4 4 ALA HB1 H 1 1.319 0.003 . 1 . . . . 4 A QB . 17105 1 13 . 1 1 4 4 ALA HB2 H 1 1.319 0.003 . 1 . . . . 4 A QB . 17105 1 14 . 1 1 4 4 ALA HB3 H 1 1.319 0.003 . 1 . . . . 4 A QB . 17105 1 15 . 1 1 4 4 ALA CA C 13 52.645 0.16 . 1 . . . . 4 A CA . 17105 1 16 . 1 1 4 4 ALA CB C 13 19.067 0.16 . 1 . . . . 4 A CB . 17105 1 17 . 1 1 4 4 ALA N N 15 126.381 0.13 . 1 . . . . 4 A N . 17105 1 18 . 1 1 5 5 ASP H H 1 8.222 0.003 . 1 . . . . 5 D H . 17105 1 19 . 1 1 5 5 ASP HA H 1 4.510 0.003 . 1 . . . . 5 D HA . 17105 1 20 . 1 1 5 5 ASP HB2 H 1 2.688 0.003 . 2 . . . . 5 D HB2 . 17105 1 21 . 1 1 5 5 ASP HB3 H 1 2.610 0.003 . 2 . . . . 5 D HB3 . 17105 1 22 . 1 1 5 5 ASP CA C 13 54.378 0.16 . 1 . . . . 5 D CA . 17105 1 23 . 1 1 5 5 ASP CB C 13 41.305 0.16 . 1 . . . . 5 D CB . 17105 1 24 . 1 1 5 5 ASP N N 15 119.180 0.13 . 1 . . . . 5 D N . 17105 1 25 . 1 1 6 6 GLY H H 1 8.370 0.003 . 1 . . . . 6 G H . 17105 1 26 . 1 1 6 6 GLY HA2 H 1 3.934 0.003 . 2 . . . . 6 G HA2 . 17105 1 27 . 1 1 6 6 GLY HA3 H 1 3.883 0.003 . 2 . . . . 6 G HA3 . 17105 1 28 . 1 1 6 6 GLY CA C 13 45.916 0.16 . 1 . . . . 6 G CA . 17105 1 29 . 1 1 6 6 GLY N N 15 109.634 0.13 . 1 . . . . 6 G N . 17105 1 30 . 1 1 7 7 SER H H 1 8.105 0.003 . 1 . . . . 7 S H . 17105 1 31 . 1 1 7 7 SER HA H 1 4.243 0.003 . 1 . . . . 7 S HA . 17105 1 32 . 1 1 7 7 SER HB2 H 1 3.769 0.003 . 2 . . . . 7 S QB . 17105 1 33 . 1 1 7 7 SER HB3 H 1 3.769 0.003 . 2 . . . . 7 S QB . 17105 1 34 . 1 1 7 7 SER CA C 13 59.237 0.16 . 1 . . . . 7 S CA . 17105 1 35 . 1 1 7 7 SER CB C 13 63.832 0.16 . 1 . . . . 7 S CB . 17105 1 36 . 1 1 7 7 SER N N 15 115.650 0.13 . 1 . . . . 7 S N . 17105 1 37 . 1 1 8 8 GLU H H 1 8.594 0.003 . 1 . . . . 8 E H . 17105 1 38 . 1 1 8 8 GLU HA H 1 4.111 0.003 . 1 . . . . 8 E HA . 17105 1 39 . 1 1 8 8 GLU HB2 H 1 1.845 0.003 . 2 . . . . 8 E HB2 . 17105 1 40 . 1 1 8 8 GLU HB3 H 1 1.748 0.003 . 2 . . . . 8 E HB3 . 17105 1 41 . 1 1 8 8 GLU HG2 H 1 1.994 0.003 . 2 . . . . 8 E QG . 17105 1 42 . 1 1 8 8 GLU HG3 H 1 1.994 0.003 . 2 . . . . 8 E QG . 17105 1 43 . 1 1 8 8 GLU CA C 13 57.220 0.16 . 1 . . . . 8 E CA . 17105 1 44 . 1 1 8 8 GLU CB C 13 29.224 0.16 . 1 . . . . 8 E CB . 17105 1 45 . 1 1 8 8 GLU CG C 13 35.846 0.16 . 1 . . . . 8 E CG . 17105 1 46 . 1 1 8 8 GLU N N 15 122.639 0.13 . 1 . . . . 8 E N . 17105 1 47 . 1 1 9 9 TYR H H 1 7.210 0.003 . 1 . . . . 9 Y H . 17105 1 48 . 1 1 9 9 TYR HA H 1 4.352 0.003 . 1 . . . . 9 Y HA . 17105 1 49 . 1 1 9 9 TYR HB2 H 1 2.848 0.003 . 2 . . . . 9 Y HB2 . 17105 1 50 . 1 1 9 9 TYR HB3 H 1 3.216 0.003 . 2 . . . . 9 Y HB3 . 17105 1 51 . 1 1 9 9 TYR HD1 H 1 6.938 0.003 . 3 . . . . 9 Y QD . 17105 1 52 . 1 1 9 9 TYR HD2 H 1 6.938 0.003 . 3 . . . . 9 Y QD . 17105 1 53 . 1 1 9 9 TYR HE1 H 1 6.814 0.003 . 3 . . . . 9 Y QE . 17105 1 54 . 1 1 9 9 TYR HE2 H 1 6.814 0.003 . 3 . . . . 9 Y QE . 17105 1 55 . 1 1 9 9 TYR CA C 13 61.239 0.16 . 1 . . . . 9 Y CA . 17105 1 56 . 1 1 9 9 TYR CB C 13 37.973 0.16 . 1 . . . . 9 Y CB . 17105 1 57 . 1 1 9 9 TYR CD1 C 13 132.035 0.16 . 3 . . . . 9 Y CD1 . 17105 1 58 . 1 1 9 9 TYR CD2 C 13 132.035 0.16 . 3 . . . . 9 Y CD2 . 17105 1 59 . 1 1 9 9 TYR CE1 C 13 119.191 0.16 . 3 . . . . 9 Y CE1 . 17105 1 60 . 1 1 9 9 TYR CE2 C 13 119.191 0.16 . 3 . . . . 9 Y CE2 . 17105 1 61 . 1 1 9 9 TYR N N 15 118.053 0.13 . 1 . . . . 9 Y N . 17105 1 62 . 1 1 10 10 GLY H H 1 8.350 0.003 . 1 . . . . 10 G H . 17105 1 63 . 1 1 10 10 GLY HA2 H 1 3.816 0.003 . 2 . . . . 10 G HA2 . 17105 1 64 . 1 1 10 10 GLY HA3 H 1 4.377 0.003 . 2 . . . . 10 G HA3 . 17105 1 65 . 1 1 10 10 GLY CA C 13 46.117 0.16 . 1 . . . . 10 G CA . 17105 1 66 . 1 1 10 10 GLY N N 15 106.445 0.13 . 1 . . . . 10 G N . 17105 1 67 . 1 1 11 11 ARG H H 1 7.461 0.003 . 1 . . . . 11 R H . 17105 1 68 . 1 1 11 11 ARG HA H 1 3.978 0.003 . 1 . . . . 11 R HA . 17105 1 69 . 1 1 11 11 ARG HB2 H 1 1.463 0.003 . 2 . . . . 11 R HB2 . 17105 1 70 . 1 1 11 11 ARG HB3 H 1 1.290 0.003 . 2 . . . . 11 R HB3 . 17105 1 71 . 1 1 11 11 ARG HD2 H 1 2.893 0.003 . 2 . . . . 11 R QD . 17105 1 72 . 1 1 11 11 ARG HD3 H 1 2.893 0.003 . 2 . . . . 11 R QD . 17105 1 73 . 1 1 11 11 ARG HG2 H 1 1.264 0.003 . 2 . . . . 11 R HG2 . 17105 1 74 . 1 1 11 11 ARG HG3 H 1 1.116 0.003 . 2 . . . . 11 R HG3 . 17105 1 75 . 1 1 11 11 ARG CA C 13 57.083 0.16 . 1 . . . . 11 R CA . 17105 1 76 . 1 1 11 11 ARG CB C 13 29.962 0.16 . 1 . . . . 11 R CB . 17105 1 77 . 1 1 11 11 ARG CD C 13 43.332 0.16 . 1 . . . . 11 R CD . 17105 1 78 . 1 1 11 11 ARG CG C 13 27.163 0.16 . 1 . . . . 11 R CG . 17105 1 79 . 1 1 11 11 ARG N N 15 117.325 0.13 . 1 . . . . 11 R N . 17105 1 80 . 1 1 12 12 TYR H H 1 7.295 0.003 . 1 . . . . 12 Y H . 17105 1 81 . 1 1 12 12 TYR HA H 1 4.117 0.003 . 1 . . . . 12 Y HA . 17105 1 82 . 1 1 12 12 TYR HB2 H 1 2.087 0.003 . 2 . . . . 12 Y HB2 . 17105 1 83 . 1 1 12 12 TYR HB3 H 1 2.012 0.003 . 2 . . . . 12 Y HB3 . 17105 1 84 . 1 1 12 12 TYR HD1 H 1 6.923 0.003 . 3 . . . . 12 Y QD . 17105 1 85 . 1 1 12 12 TYR HD2 H 1 6.923 0.003 . 3 . . . . 12 Y QD . 17105 1 86 . 1 1 12 12 TYR HE1 H 1 6.643 0.003 . 3 . . . . 12 Y QE . 17105 1 87 . 1 1 12 12 TYR HE2 H 1 6.643 0.003 . 3 . . . . 12 Y QE . 17105 1 88 . 1 1 12 12 TYR CA C 13 59.150 0.16 . 1 . . . . 12 Y CA . 17105 1 89 . 1 1 12 12 TYR CB C 13 41.119 0.16 . 1 . . . . 12 Y CB . 17105 1 90 . 1 1 12 12 TYR CD1 C 13 133.966 0.16 . 3 . . . . 12 Y CD1 . 17105 1 91 . 1 1 12 12 TYR CD2 C 13 133.966 0.16 . 3 . . . . 12 Y CD2 . 17105 1 92 . 1 1 12 12 TYR CE1 C 13 118.015 0.16 . 3 . . . . 12 Y CE1 . 17105 1 93 . 1 1 12 12 TYR CE2 C 13 118.015 0.16 . 3 . . . . 12 Y CE2 . 17105 1 94 . 1 1 12 12 TYR N N 15 115.320 0.13 . 1 . . . . 12 Y N . 17105 1 95 . 1 1 13 13 PHE H H 1 7.787 0.003 . 1 . . . . 13 F H . 17105 1 96 . 1 1 13 13 PHE HA H 1 5.624 0.003 . 1 . . . . 13 F HA . 17105 1 97 . 1 1 13 13 PHE HB2 H 1 2.526 0.003 . 2 . . . . 13 F HB2 . 17105 1 98 . 1 1 13 13 PHE HB3 H 1 2.838 0.003 . 2 . . . . 13 F HB3 . 17105 1 99 . 1 1 13 13 PHE HD1 H 1 7.237 0.003 . 3 . . . . 13 F QD . 17105 1 100 . 1 1 13 13 PHE HD2 H 1 7.237 0.003 . 3 . . . . 13 F QD . 17105 1 101 . 1 1 13 13 PHE HE1 H 1 6.848 0.003 . 3 . . . . 13 F QE . 17105 1 102 . 1 1 13 13 PHE HE2 H 1 6.848 0.003 . 3 . . . . 13 F QE . 17105 1 103 . 1 1 13 13 PHE HZ H 1 6.690 0.003 . 1 . . . . 13 F HZ . 17105 1 104 . 1 1 13 13 PHE CA C 13 55.588 0.16 . 1 . . . . 13 F CA . 17105 1 105 . 1 1 13 13 PHE CB C 13 41.324 0.16 . 1 . . . . 13 F CB . 17105 1 106 . 1 1 13 13 PHE CD1 C 13 132.056 0.16 . 3 . . . . 13 F CD1 . 17105 1 107 . 1 1 13 13 PHE CE1 C 13 130.121 0.16 . 3 . . . . 13 F CE1 . 17105 1 108 . 1 1 13 13 PHE CZ C 13 128.153 0.16 . 1 . . . . 13 F CZ . 17105 1 109 . 1 1 13 13 PHE N N 15 116.588 0.13 . 1 . . . . 13 F N . 17105 1 110 . 1 1 14 14 GLU H H 1 7.765 0.003 . 1 . . . . 14 E H . 17105 1 111 . 1 1 14 14 GLU HA H 1 4.466 0.003 . 1 . . . . 14 E HA . 17105 1 112 . 1 1 14 14 GLU HB2 H 1 1.815 0.003 . 2 . . . . 14 E HB2 . 17105 1 113 . 1 1 14 14 GLU HB3 H 1 1.963 0.003 . 2 . . . . 14 E HB3 . 17105 1 114 . 1 1 14 14 GLU HG2 H 1 2.130 0.003 . 2 . . . . 14 E QG . 17105 1 115 . 1 1 14 14 GLU HG3 H 1 2.130 0.003 . 2 . . . . 14 E QG . 17105 1 116 . 1 1 14 14 GLU CA C 13 54.324 0.16 . 1 . . . . 14 E CA . 17105 1 117 . 1 1 14 14 GLU CB C 13 33.505 0.16 . 1 . . . . 14 E CB . 17105 1 118 . 1 1 14 14 GLU CG C 13 37.300 0.16 . 1 . . . . 14 E CG . 17105 1 119 . 1 1 14 14 GLU N N 15 115.889 0.13 . 1 . . . . 14 E N . 17105 1 120 . 1 1 15 15 GLN H H 1 8.551 0.003 . 1 . . . . 15 Q H . 17105 1 121 . 1 1 15 15 GLN HA H 1 3.668 0.003 . 1 . . . . 15 Q HA . 17105 1 122 . 1 1 15 15 GLN HB2 H 1 1.967 0.003 . 2 . . . . 15 Q QB . 17105 1 123 . 1 1 15 15 GLN HB3 H 1 1.967 0.003 . 2 . . . . 15 Q QB . 17105 1 124 . 1 1 15 15 GLN HE21 H 1 7.481 0.003 . 2 . . . . 15 Q HE21 . 17105 1 125 . 1 1 15 15 GLN HE22 H 1 6.831 0.003 . 2 . . . . 15 Q HE22 . 17105 1 126 . 1 1 15 15 GLN HG2 H 1 2.264 0.003 . 2 . . . . 15 Q QG . 17105 1 127 . 1 1 15 15 GLN HG3 H 1 2.264 0.003 . 2 . . . . 15 Q QG . 17105 1 128 . 1 1 15 15 GLN CA C 13 58.281 0.16 . 1 . . . . 15 Q CA . 17105 1 129 . 1 1 15 15 GLN CB C 13 28.298 0.16 . 1 . . . . 15 Q CB . 17105 1 130 . 1 1 15 15 GLN CG C 13 34.161 0.16 . 1 . . . . 15 Q CG . 17105 1 131 . 1 1 15 15 GLN N N 15 119.738 0.13 . 1 . . . . 15 Q N . 17105 1 132 . 1 1 15 15 GLN NE2 N 15 111.789 0.13 . 1 . . . . 15 Q NE2 . 17105 1 133 . 1 1 16 16 LEU H H 1 9.207 0.003 . 1 . . . . 16 L H . 17105 1 134 . 1 1 16 16 LEU HA H 1 3.780 0.003 . 1 . . . . 16 L HA . 17105 1 135 . 1 1 16 16 LEU HB2 H 1 1.591 0.003 . 2 . . . . 16 L HB2 . 17105 1 136 . 1 1 16 16 LEU HB3 H 1 2.239 0.003 . 2 . . . . 16 L HB3 . 17105 1 137 . 1 1 16 16 LEU HD11 H 1 0.863 0.003 . 2 . . . . 16 L QD1 . 17105 1 138 . 1 1 16 16 LEU HD12 H 1 0.863 0.003 . 2 . . . . 16 L QD1 . 17105 1 139 . 1 1 16 16 LEU HD13 H 1 0.863 0.003 . 2 . . . . 16 L QD1 . 17105 1 140 . 1 1 16 16 LEU HD21 H 1 0.851 0.003 . 2 . . . . 16 L QD2 . 17105 1 141 . 1 1 16 16 LEU HD22 H 1 0.851 0.003 . 2 . . . . 16 L QD2 . 17105 1 142 . 1 1 16 16 LEU HD23 H 1 0.851 0.003 . 2 . . . . 16 L QD2 . 17105 1 143 . 1 1 16 16 LEU HG H 1 1.429 0.003 . 1 . . . . 16 L HG . 17105 1 144 . 1 1 16 16 LEU CA C 13 57.562 0.16 . 1 . . . . 16 L CA . 17105 1 145 . 1 1 16 16 LEU CB C 13 39.149 0.16 . 1 . . . . 16 L CB . 17105 1 146 . 1 1 16 16 LEU CD1 C 13 25.179 0.16 . 2 . . . . 16 L CD1 . 17105 1 147 . 1 1 16 16 LEU CD2 C 13 22.357 0.16 . 2 . . . . 16 L CD2 . 17105 1 148 . 1 1 16 16 LEU CG C 13 27.705 0.16 . 1 . . . . 16 L CG . 17105 1 149 . 1 1 16 16 LEU N N 15 118.312 0.13 . 1 . . . . 16 L N . 17105 1 150 . 1 1 17 17 GLN H H 1 7.721 0.003 . 1 . . . . 17 Q H . 17105 1 151 . 1 1 17 17 GLN HA H 1 4.184 0.003 . 1 . . . . 17 Q HA . 17105 1 152 . 1 1 17 17 GLN HB2 H 1 2.299 0.003 . 2 . . . . 17 Q HB2 . 17105 1 153 . 1 1 17 17 GLN HB3 H 1 2.120 0.003 . 2 . . . . 17 Q HB3 . 17105 1 154 . 1 1 17 17 GLN HE21 H 1 6.806 0.003 . 2 . . . . 17 Q HE21 . 17105 1 155 . 1 1 17 17 GLN HE22 H 1 7.373 0.003 . 2 . . . . 17 Q HE22 . 17105 1 156 . 1 1 17 17 GLN HG2 H 1 2.341 0.003 . 2 . . . . 17 Q HG2 . 17105 1 157 . 1 1 17 17 GLN HG3 H 1 2.430 0.003 . 2 . . . . 17 Q HG3 . 17105 1 158 . 1 1 17 17 GLN CA C 13 56.602 0.16 . 1 . . . . 17 Q CA . 17105 1 159 . 1 1 17 17 GLN CB C 13 31.700 0.16 . 1 . . . . 17 Q CB . 17105 1 160 . 1 1 17 17 GLN CG C 13 34.143 0.16 . 1 . . . . 17 Q CG . 17105 1 161 . 1 1 17 17 GLN N N 15 121.470 0.13 . 1 . . . . 17 Q N . 17105 1 162 . 1 1 17 17 GLN NE2 N 15 109.103 0.13 . 1 . . . . 17 Q NE2 . 17105 1 163 . 1 1 18 18 LYS H H 1 8.289 0.003 . 1 . . . . 18 K H . 17105 1 164 . 1 1 18 18 LYS HA H 1 5.098 0.003 . 1 . . . . 18 K HA . 17105 1 165 . 1 1 18 18 LYS HB2 H 1 1.779 0.003 . 2 . . . . 18 K HB2 . 17105 1 166 . 1 1 18 18 LYS HB3 H 1 1.695 0.003 . 2 . . . . 18 K HB3 . 17105 1 167 . 1 1 18 18 LYS HD2 H 1 1.436 0.003 . 2 . . . . 18 K QD . 17105 1 168 . 1 1 18 18 LYS HD3 H 1 1.436 0.003 . 2 . . . . 18 K QD . 17105 1 169 . 1 1 18 18 LYS HE2 H 1 2.551 0.003 . 2 . . . . 18 K HE2 . 17105 1 170 . 1 1 18 18 LYS HE3 H 1 2.512 0.003 . 2 . . . . 18 K HE3 . 17105 1 171 . 1 1 18 18 LYS HG2 H 1 1.437 0.003 . 2 . . . . 18 K HG2 . 17105 1 172 . 1 1 18 18 LYS HG3 H 1 1.190 0.003 . 2 . . . . 18 K HG3 . 17105 1 173 . 1 1 18 18 LYS CA C 13 55.562 0.16 . 1 . . . . 18 K CA . 17105 1 174 . 1 1 18 18 LYS CB C 13 33.039 0.16 . 1 . . . . 18 K CB . 17105 1 175 . 1 1 18 18 LYS CD C 13 29.066 0.16 . 1 . . . . 18 K CD . 17105 1 176 . 1 1 18 18 LYS CE C 13 41.864 0.16 . 1 . . . . 18 K CE . 17105 1 177 . 1 1 18 18 LYS CG C 13 25.447 0.16 . 1 . . . . 18 K CG . 17105 1 178 . 1 1 18 18 LYS N N 15 122.844 0.13 . 1 . . . . 18 K N . 17105 1 179 . 1 1 19 19 VAL H H 1 9.359 0.003 . 1 . . . . 19 V H . 17105 1 180 . 1 1 19 19 VAL HA H 1 4.947 0.003 . 1 . . . . 19 V HA . 17105 1 181 . 1 1 19 19 VAL HB H 1 2.184 0.003 . 1 . . . . 19 V HB . 17105 1 182 . 1 1 19 19 VAL HG11 H 1 0.821 0.003 . 2 . . . . 19 V QG1 . 17105 1 183 . 1 1 19 19 VAL HG12 H 1 0.821 0.003 . 2 . . . . 19 V QG1 . 17105 1 184 . 1 1 19 19 VAL HG13 H 1 0.821 0.003 . 2 . . . . 19 V QG1 . 17105 1 185 . 1 1 19 19 VAL HG21 H 1 0.565 0.003 . 2 . . . . 19 V QG2 . 17105 1 186 . 1 1 19 19 VAL HG22 H 1 0.565 0.003 . 2 . . . . 19 V QG2 . 17105 1 187 . 1 1 19 19 VAL HG23 H 1 0.565 0.003 . 2 . . . . 19 V QG2 . 17105 1 188 . 1 1 19 19 VAL CA C 13 58.612 0.16 . 1 . . . . 19 V CA . 17105 1 189 . 1 1 19 19 VAL CB C 13 34.671 0.16 . 1 . . . . 19 V CB . 17105 1 190 . 1 1 19 19 VAL CG1 C 13 21.820 0.16 . 2 . . . . 19 V CG1 . 17105 1 191 . 1 1 19 19 VAL CG2 C 13 18.437 0.16 . 2 . . . . 19 V CG2 . 17105 1 192 . 1 1 19 19 VAL N N 15 116.052 0.13 . 1 . . . . 19 V N . 17105 1 193 . 1 1 20 20 ASN H H 1 8.896 0.003 . 1 . . . . 20 N H . 17105 1 194 . 1 1 20 20 ASN HA H 1 5.149 0.003 . 1 . . . . 20 N HA . 17105 1 195 . 1 1 20 20 ASN HB2 H 1 2.689 0.003 . 2 . . . . 20 N HB2 . 17105 1 196 . 1 1 20 20 ASN HB3 H 1 2.742 0.003 . 2 . . . . 20 N HB3 . 17105 1 197 . 1 1 20 20 ASN HD21 H 1 6.964 0.003 . 2 . . . . 20 N HD21 . 17105 1 198 . 1 1 20 20 ASN HD22 H 1 7.228 0.003 . 2 . . . . 20 N HD22 . 17105 1 199 . 1 1 20 20 ASN CA C 13 53.020 0.16 . 1 . . . . 20 N CA . 17105 1 200 . 1 1 20 20 ASN CB C 13 39.753 0.16 . 1 . . . . 20 N CB . 17105 1 201 . 1 1 20 20 ASN N N 15 119.601 0.13 . 1 . . . . 20 N N . 17105 1 202 . 1 1 20 20 ASN ND2 N 15 112.688 0.13 . 1 . . . . 20 N ND2 . 17105 1 203 . 1 1 21 21 LEU H H 1 8.794 0.003 . 1 . . . . 21 L H . 17105 1 204 . 1 1 21 21 LEU HA H 1 5.148 0.003 . 1 . . . . 21 L HA . 17105 1 205 . 1 1 21 21 LEU HB2 H 1 1.110 0.003 . 2 . . . . 21 L HB2 . 17105 1 206 . 1 1 21 21 LEU HB3 H 1 1.464 0.003 . 2 . . . . 21 L HB3 . 17105 1 207 . 1 1 21 21 LEU HD11 H 1 0.692 0.003 . 2 . . . . 21 L QD1 . 17105 1 208 . 1 1 21 21 LEU HD12 H 1 0.692 0.003 . 2 . . . . 21 L QD1 . 17105 1 209 . 1 1 21 21 LEU HD13 H 1 0.692 0.003 . 2 . . . . 21 L QD1 . 17105 1 210 . 1 1 21 21 LEU HD21 H 1 0.545 0.003 . 2 . . . . 21 L QD2 . 17105 1 211 . 1 1 21 21 LEU HD22 H 1 0.545 0.003 . 2 . . . . 21 L QD2 . 17105 1 212 . 1 1 21 21 LEU HD23 H 1 0.545 0.003 . 2 . . . . 21 L QD2 . 17105 1 213 . 1 1 21 21 LEU HG H 1 0.738 0.003 . 1 . . . . 21 L HG . 17105 1 214 . 1 1 21 21 LEU CA C 13 53.405 0.16 . 1 . . . . 21 L CA . 17105 1 215 . 1 1 21 21 LEU CB C 13 46.333 0.16 . 1 . . . . 21 L CB . 17105 1 216 . 1 1 21 21 LEU CD1 C 13 24.591 0.16 . 2 . . . . 21 L CD1 . 17105 1 217 . 1 1 21 21 LEU CD2 C 13 22.391 0.16 . 2 . . . . 21 L CD2 . 17105 1 218 . 1 1 21 21 LEU CG C 13 26.929 0.16 . 1 . . . . 21 L CG . 17105 1 219 . 1 1 21 21 LEU N N 15 125.980 0.13 . 1 . . . . 21 L N . 17105 1 220 . 1 1 22 22 THR H H 1 8.727 0.003 . 1 . . . . 22 T H . 17105 1 221 . 1 1 22 22 THR HA H 1 5.424 0.003 . 1 . . . . 22 T HA . 17105 1 222 . 1 1 22 22 THR HB H 1 3.717 0.003 . 1 . . . . 22 T HB . 17105 1 223 . 1 1 22 22 THR HG21 H 1 1.055 0.003 . 1 . . . . 22 T QG2 . 17105 1 224 . 1 1 22 22 THR HG22 H 1 1.055 0.003 . 1 . . . . 22 T QG2 . 17105 1 225 . 1 1 22 22 THR HG23 H 1 1.055 0.003 . 1 . . . . 22 T QG2 . 17105 1 226 . 1 1 22 22 THR CA C 13 61.038 0.16 . 1 . . . . 22 T CA . 17105 1 227 . 1 1 22 22 THR CB C 13 71.215 0.16 . 1 . . . . 22 T CB . 17105 1 228 . 1 1 22 22 THR CG2 C 13 21.580 0.16 . 1 . . . . 22 T CG2 . 17105 1 229 . 1 1 22 22 THR N N 15 121.593 0.13 . 1 . . . . 22 T N . 17105 1 230 . 1 1 23 23 VAL H H 1 9.341 0.003 . 1 . . . . 23 V H . 17105 1 231 . 1 1 23 23 VAL HA H 1 4.557 0.003 . 1 . . . . 23 V HA . 17105 1 232 . 1 1 23 23 VAL HB H 1 1.887 0.003 . 1 . . . . 23 V HB . 17105 1 233 . 1 1 23 23 VAL HG11 H 1 0.692 0.003 . 2 . . . . 23 V QG1 . 17105 1 234 . 1 1 23 23 VAL HG12 H 1 0.692 0.003 . 2 . . . . 23 V QG1 . 17105 1 235 . 1 1 23 23 VAL HG13 H 1 0.692 0.003 . 2 . . . . 23 V QG1 . 17105 1 236 . 1 1 23 23 VAL HG21 H 1 0.770 0.003 . 2 . . . . 23 V QG2 . 17105 1 237 . 1 1 23 23 VAL HG22 H 1 0.770 0.003 . 2 . . . . 23 V QG2 . 17105 1 238 . 1 1 23 23 VAL HG23 H 1 0.770 0.003 . 2 . . . . 23 V QG2 . 17105 1 239 . 1 1 23 23 VAL CA C 13 60.417 0.16 . 1 . . . . 23 V CA . 17105 1 240 . 1 1 23 23 VAL CB C 13 34.818 0.16 . 1 . . . . 23 V CB . 17105 1 241 . 1 1 23 23 VAL CG1 C 13 22.306 0.16 . 2 . . . . 23 V CG1 . 17105 1 242 . 1 1 23 23 VAL CG2 C 13 20.739 0.16 . 2 . . . . 23 V CG2 . 17105 1 243 . 1 1 23 23 VAL N N 15 125.649 0.13 . 1 . . . . 23 V N . 17105 1 244 . 1 1 24 24 ARG H H 1 8.574 0.003 . 1 . . . . 24 R H . 17105 1 245 . 1 1 24 24 ARG HA H 1 4.250 0.003 . 1 . . . . 24 R HA . 17105 1 246 . 1 1 24 24 ARG HB2 H 1 1.720 0.003 . 2 . . . . 24 R HB2 . 17105 1 247 . 1 1 24 24 ARG HB3 H 1 1.882 0.003 . 2 . . . . 24 R HB3 . 17105 1 248 . 1 1 24 24 ARG HD2 H 1 3.084 0.003 . 2 . . . . 24 R QD . 17105 1 249 . 1 1 24 24 ARG HD3 H 1 3.084 0.003 . 2 . . . . 24 R QD . 17105 1 250 . 1 1 24 24 ARG HG2 H 1 1.587 0.003 . 2 . . . . 24 R HG2 . 17105 1 251 . 1 1 24 24 ARG HG3 H 1 1.535 0.003 . 2 . . . . 24 R HG3 . 17105 1 252 . 1 1 24 24 ARG CA C 13 56.883 0.16 . 1 . . . . 24 R CA . 17105 1 253 . 1 1 24 24 ARG CB C 13 30.497 0.16 . 1 . . . . 24 R CB . 17105 1 254 . 1 1 24 24 ARG CD C 13 43.169 0.16 . 1 . . . . 24 R CD . 17105 1 255 . 1 1 24 24 ARG CG C 13 27.267 0.16 . 1 . . . . 24 R CG . 17105 1 256 . 1 1 24 24 ARG N N 15 127.633 0.13 . 1 . . . . 24 R N . 17105 1 257 . 1 1 25 25 LEU H H 1 7.989 0.003 . 1 . . . . 25 L H . 17105 1 258 . 1 1 25 25 LEU HA H 1 4.483 0.003 . 1 . . . . 25 L HA . 17105 1 259 . 1 1 25 25 LEU HB2 H 1 1.393 0.003 . 2 . . . . 25 L HB2 . 17105 1 260 . 1 1 25 25 LEU HB3 H 1 1.294 0.003 . 2 . . . . 25 L HB3 . 17105 1 261 . 1 1 25 25 LEU HD11 H 1 0.739 0.003 . 2 . . . . 25 L QD1 . 17105 1 262 . 1 1 25 25 LEU HD12 H 1 0.739 0.003 . 2 . . . . 25 L QD1 . 17105 1 263 . 1 1 25 25 LEU HD13 H 1 0.739 0.003 . 2 . . . . 25 L QD1 . 17105 1 264 . 1 1 25 25 LEU HD21 H 1 0.624 0.003 . 2 . . . . 25 L QD2 . 17105 1 265 . 1 1 25 25 LEU HD22 H 1 0.624 0.003 . 2 . . . . 25 L QD2 . 17105 1 266 . 1 1 25 25 LEU HD23 H 1 0.624 0.003 . 2 . . . . 25 L QD2 . 17105 1 267 . 1 1 25 25 LEU HG H 1 1.418 0.003 . 1 . . . . 25 L HG . 17105 1 268 . 1 1 25 25 LEU CA C 13 53.112 0.16 . 1 . . . . 25 L CA . 17105 1 269 . 1 1 25 25 LEU CB C 13 41.422 0.16 . 1 . . . . 25 L CB . 17105 1 270 . 1 1 25 25 LEU CD1 C 13 25.938 0.16 . 2 . . . . 25 L CD1 . 17105 1 271 . 1 1 25 25 LEU CD2 C 13 23.079 0.16 . 2 . . . . 25 L CD2 . 17105 1 272 . 1 1 25 25 LEU CG C 13 26.427 0.16 . 1 . . . . 25 L CG . 17105 1 273 . 1 1 25 25 LEU N N 15 125.950 0.13 . 1 . . . . 25 L N . 17105 1 274 . 1 1 26 26 GLY H H 1 8.082 0.003 . 1 . . . . 26 G H . 17105 1 275 . 1 1 26 26 GLY HA2 H 1 3.692 0.003 . 2 . . . . 26 G HA2 . 17105 1 276 . 1 1 26 26 GLY HA3 H 1 3.956 0.003 . 2 . . . . 26 G HA3 . 17105 1 277 . 1 1 26 26 GLY CA C 13 45.956 0.16 . 1 . . . . 26 G CA . 17105 1 278 . 1 1 26 26 GLY N N 15 110.290 0.13 . 1 . . . . 26 G N . 17105 1 279 . 1 1 27 27 ASP H H 1 8.652 0.003 . 1 . . . . 27 D H . 17105 1 280 . 1 1 27 27 ASP HA H 1 4.521 0.003 . 1 . . . . 27 D HA . 17105 1 281 . 1 1 27 27 ASP HB2 H 1 2.605 0.003 . 2 . . . . 27 D HB2 . 17105 1 282 . 1 1 27 27 ASP HB3 H 1 2.682 0.003 . 2 . . . . 27 D HB3 . 17105 1 283 . 1 1 27 27 ASP CA C 13 55.599 0.16 . 1 . . . . 27 D CA . 17105 1 284 . 1 1 27 27 ASP CB C 13 41.021 0.16 . 1 . . . . 27 D CB . 17105 1 285 . 1 1 27 27 ASP N N 15 122.702 0.13 . 1 . . . . 27 D N . 17105 1 286 . 1 1 28 28 THR H H 1 8.026 0.003 . 1 . . . . 28 T H . 17105 1 287 . 1 1 28 28 THR HA H 1 4.342 0.003 . 1 . . . . 28 T HA . 17105 1 288 . 1 1 28 28 THR HB H 1 4.271 0.003 . 1 . . . . 28 T HB . 17105 1 289 . 1 1 28 28 THR HG21 H 1 1.092 0.003 . 1 . . . . 28 T QG2 . 17105 1 290 . 1 1 28 28 THR HG22 H 1 1.092 0.003 . 1 . . . . 28 T QG2 . 17105 1 291 . 1 1 28 28 THR HG23 H 1 1.092 0.003 . 1 . . . . 28 T QG2 . 17105 1 292 . 1 1 28 28 THR CA C 13 62.205 0.16 . 1 . . . . 28 T CA . 17105 1 293 . 1 1 28 28 THR CB C 13 70.139 0.16 . 1 . . . . 28 T CB . 17105 1 294 . 1 1 28 28 THR CG2 C 13 21.511 0.16 . 1 . . . . 28 T CG2 . 17105 1 295 . 1 1 28 28 THR N N 15 109.054 0.13 . 1 . . . . 28 T N . 17105 1 296 . 1 1 29 29 GLY H H 1 7.686 0.003 . 1 . . . . 29 G H . 17105 1 297 . 1 1 29 29 GLY HA2 H 1 4.095 0.003 . 2 . . . . 29 G QA . 17105 1 298 . 1 1 29 29 GLY HA3 H 1 4.095 0.003 . 2 . . . . 29 G QA . 17105 1 299 . 1 1 29 29 GLY CA C 13 45.024 0.16 . 1 . . . . 29 G CA . 17105 1 300 . 1 1 29 29 GLY N N 15 109.776 0.13 . 1 . . . . 29 G N . 17105 1 301 . 1 1 30 30 SER H H 1 8.441 0.003 . 1 . . . . 30 S H . 17105 1 302 . 1 1 30 30 SER HA H 1 5.058 0.003 . 1 . . . . 30 S HA . 17105 1 303 . 1 1 30 30 SER HB2 H 1 3.638 0.003 . 2 . . . . 30 S HB2 . 17105 1 304 . 1 1 30 30 SER HB3 H 1 3.538 0.003 . 2 . . . . 30 S HB3 . 17105 1 305 . 1 1 30 30 SER CA C 13 57.878 0.16 . 1 . . . . 30 S CA . 17105 1 306 . 1 1 30 30 SER CB C 13 65.478 0.16 . 1 . . . . 30 S CB . 17105 1 307 . 1 1 30 30 SER N N 15 115.054 0.13 . 1 . . . . 30 S N . 17105 1 308 . 1 1 31 31 PHE H H 1 8.846 0.003 . 1 . . . . 31 F H . 17105 1 309 . 1 1 31 31 PHE HA H 1 4.784 0.003 . 1 . . . . 31 F HA . 17105 1 310 . 1 1 31 31 PHE HB2 H 1 3.031 0.003 . 2 . . . . 31 F HB2 . 17105 1 311 . 1 1 31 31 PHE HB3 H 1 2.578 0.003 . 2 . . . . 31 F HB3 . 17105 1 312 . 1 1 31 31 PHE HD1 H 1 7.018 0.003 . 3 . . . . 31 F QD . 17105 1 313 . 1 1 31 31 PHE HD2 H 1 7.018 0.003 . 3 . . . . 31 F QD . 17105 1 314 . 1 1 31 31 PHE HE1 H 1 6.975 0.003 . 3 . . . . 31 F QE . 17105 1 315 . 1 1 31 31 PHE HE2 H 1 6.975 0.003 . 3 . . . . 31 F QE . 17105 1 316 . 1 1 31 31 PHE CA C 13 56.744 0.16 . 1 . . . . 31 F CA . 17105 1 317 . 1 1 31 31 PHE CB C 13 42.354 0.16 . 1 . . . . 31 F CB . 17105 1 318 . 1 1 31 31 PHE CD1 C 13 131.745 0.16 . 3 . . . . 31 F CD1 . 17105 1 319 . 1 1 31 31 PHE CE2 C 13 131.286 0.16 . 3 . . . . 31 F CE2 . 17105 1 320 . 1 1 31 31 PHE N N 15 122.939 0.13 . 1 . . . . 31 F N . 17105 1 321 . 1 1 32 32 ASP H H 1 7.672 0.003 . 1 . . . . 32 D H . 17105 1 322 . 1 1 32 32 ASP HA H 1 5.329 0.003 . 1 . . . . 32 D HA . 17105 1 323 . 1 1 32 32 ASP HB2 H 1 2.345 0.003 . 2 . . . . 32 D HB2 . 17105 1 324 . 1 1 32 32 ASP HB3 H 1 2.166 0.003 . 2 . . . . 32 D HB3 . 17105 1 325 . 1 1 32 32 ASP CA C 13 52.339 0.16 . 1 . . . . 32 D CA . 17105 1 326 . 1 1 32 32 ASP CB C 13 43.394 0.16 . 1 . . . . 32 D CB . 17105 1 327 . 1 1 32 32 ASP N N 15 127.591 0.13 . 1 . . . . 32 D N . 17105 1 328 . 1 1 33 33 GLY H H 1 8.548 0.003 . 1 . . . . 33 G H . 17105 1 329 . 1 1 33 33 GLY HA2 H 1 3.586 0.003 . 2 . . . . 33 G HA2 . 17105 1 330 . 1 1 33 33 GLY HA3 H 1 4.335 0.003 . 2 . . . . 33 G HA3 . 17105 1 331 . 1 1 33 33 GLY CA C 13 44.843 0.16 . 1 . . . . 33 G CA . 17105 1 332 . 1 1 33 33 GLY N N 15 108.141 0.13 . 1 . . . . 33 G N . 17105 1 333 . 1 1 34 34 THR H H 1 8.796 0.003 . 1 . . . . 34 T H . 17105 1 334 . 1 1 34 34 THR HA H 1 5.160 0.003 . 1 . . . . 34 T HA . 17105 1 335 . 1 1 34 34 THR HB H 1 3.933 0.003 . 1 . . . . 34 T HB . 17105 1 336 . 1 1 34 34 THR HG21 H 1 1.132 0.003 . 1 . . . . 34 T QG2 . 17105 1 337 . 1 1 34 34 THR HG22 H 1 1.132 0.003 . 1 . . . . 34 T QG2 . 17105 1 338 . 1 1 34 34 THR HG23 H 1 1.132 0.003 . 1 . . . . 34 T QG2 . 17105 1 339 . 1 1 34 34 THR CA C 13 60.881 0.16 . 1 . . . . 34 T CA . 17105 1 340 . 1 1 34 34 THR CB C 13 71.475 0.16 . 1 . . . . 34 T CB . 17105 1 341 . 1 1 34 34 THR CG2 C 13 21.840 0.16 . 1 . . . . 34 T CG2 . 17105 1 342 . 1 1 34 34 THR N N 15 115.774 0.13 . 1 . . . . 34 T N . 17105 1 343 . 1 1 35 35 ALA H H 1 8.969 0.003 . 1 . . . . 35 A H . 17105 1 344 . 1 1 35 35 ALA HA H 1 5.173 0.003 . 1 . . . . 35 A HA . 17105 1 345 . 1 1 35 35 ALA HB1 H 1 1.113 0.003 . 1 . . . . 35 A QB . 17105 1 346 . 1 1 35 35 ALA HB2 H 1 1.113 0.003 . 1 . . . . 35 A QB . 17105 1 347 . 1 1 35 35 ALA HB3 H 1 1.113 0.003 . 1 . . . . 35 A QB . 17105 1 348 . 1 1 35 35 ALA CA C 13 50.307 0.16 . 1 . . . . 35 A CA . 17105 1 349 . 1 1 35 35 ALA CB C 13 24.783 0.16 . 1 . . . . 35 A CB . 17105 1 350 . 1 1 35 35 ALA N N 15 124.464 0.13 . 1 . . . . 35 A N . 17105 1 351 . 1 1 36 36 ALA H H 1 8.813 0.003 . 1 . . . . 36 A H . 17105 1 352 . 1 1 36 36 ALA HA H 1 5.373 0.003 . 1 . . . . 36 A HA . 17105 1 353 . 1 1 36 36 ALA HB1 H 1 1.197 0.003 . 1 . . . . 36 A QB . 17105 1 354 . 1 1 36 36 ALA HB2 H 1 1.197 0.003 . 1 . . . . 36 A QB . 17105 1 355 . 1 1 36 36 ALA HB3 H 1 1.197 0.003 . 1 . . . . 36 A QB . 17105 1 356 . 1 1 36 36 ALA CA C 13 50.041 0.16 . 1 . . . . 36 A CA . 17105 1 357 . 1 1 36 36 ALA CB C 13 21.264 0.16 . 1 . . . . 36 A CB . 17105 1 358 . 1 1 36 36 ALA N N 15 121.716 0.13 . 1 . . . . 36 A N . 17105 1 359 . 1 1 37 37 ILE H H 1 8.325 0.003 . 1 . . . . 37 I H . 17105 1 360 . 1 1 37 37 ILE HA H 1 4.467 0.003 . 1 . . . . 37 I HA . 17105 1 361 . 1 1 37 37 ILE HB H 1 2.128 0.003 . 1 . . . . 37 I HB . 17105 1 362 . 1 1 37 37 ILE HD11 H 1 0.788 0.003 . 1 . . . . 37 I QD1 . 17105 1 363 . 1 1 37 37 ILE HD12 H 1 0.788 0.003 . 1 . . . . 37 I QD1 . 17105 1 364 . 1 1 37 37 ILE HD13 H 1 0.788 0.003 . 1 . . . . 37 I QD1 . 17105 1 365 . 1 1 37 37 ILE HG12 H 1 1.693 0.003 . 2 . . . . 37 I HG12 . 17105 1 366 . 1 1 37 37 ILE HG13 H 1 0.729 0.003 . 2 . . . . 37 I HG13 . 17105 1 367 . 1 1 37 37 ILE HG21 H 1 0.691 0.003 . 1 . . . . 37 I QG2 . 17105 1 368 . 1 1 37 37 ILE HG22 H 1 0.691 0.003 . 1 . . . . 37 I QG2 . 17105 1 369 . 1 1 37 37 ILE HG23 H 1 0.691 0.003 . 1 . . . . 37 I QG2 . 17105 1 370 . 1 1 37 37 ILE CA C 13 61.119 0.16 . 1 . . . . 37 I CA . 17105 1 371 . 1 1 37 37 ILE CB C 13 37.486 0.16 . 1 . . . . 37 I CB . 17105 1 372 . 1 1 37 37 ILE CD1 C 13 12.826 0.16 . 1 . . . . 37 I CD1 . 17105 1 373 . 1 1 37 37 ILE CG1 C 13 27.545 0.16 . 1 . . . . 37 I CG1 . 17105 1 374 . 1 1 37 37 ILE CG2 C 13 18.001 0.16 . 1 . . . . 37 I CG2 . 17105 1 375 . 1 1 37 37 ILE N N 15 120.209 0.13 . 1 . . . . 37 I N . 17105 1 376 . 1 1 38 38 THR H H 1 9.420 0.003 . 1 . . . . 38 T H . 17105 1 377 . 1 1 38 38 THR HA H 1 4.238 0.003 . 1 . . . . 38 T HA . 17105 1 378 . 1 1 38 38 THR HB H 1 4.089 0.003 . 1 . . . . 38 T HB . 17105 1 379 . 1 1 38 38 THR HG21 H 1 1.109 0.003 . 1 . . . . 38 T QG2 . 17105 1 380 . 1 1 38 38 THR HG22 H 1 1.109 0.003 . 1 . . . . 38 T QG2 . 17105 1 381 . 1 1 38 38 THR HG23 H 1 1.109 0.003 . 1 . . . . 38 T QG2 . 17105 1 382 . 1 1 38 38 THR CA C 13 63.434 0.16 . 1 . . . . 38 T CA . 17105 1 383 . 1 1 38 38 THR CB C 13 68.759 0.16 . 1 . . . . 38 T CB . 17105 1 384 . 1 1 38 38 THR CG2 C 13 22.388 0.16 . 1 . . . . 38 T CG2 . 17105 1 385 . 1 1 38 38 THR N N 15 124.301 0.13 . 1 . . . . 38 T N . 17105 1 386 . 1 1 39 39 SER H H 1 7.484 0.003 . 1 . . . . 39 S H . 17105 1 387 . 1 1 39 39 SER HA H 1 4.418 0.003 . 1 . . . . 39 S HA . 17105 1 388 . 1 1 39 39 SER HB2 H 1 3.795 0.003 . 2 . . . . 39 S QB . 17105 1 389 . 1 1 39 39 SER HB3 H 1 3.795 0.003 . 2 . . . . 39 S QB . 17105 1 390 . 1 1 39 39 SER CA C 13 58.305 0.16 . 1 . . . . 39 S CA . 17105 1 391 . 1 1 39 39 SER CB C 13 64.604 0.16 . 1 . . . . 39 S CB . 17105 1 392 . 1 1 39 39 SER N N 15 113.739 0.13 . 1 . . . . 39 S N . 17105 1 393 . 1 1 40 40 LEU H H 1 8.791 0.003 . 1 . . . . 40 L H . 17105 1 394 . 1 1 40 40 LEU HA H 1 5.037 0.003 . 1 . . . . 40 L HA . 17105 1 395 . 1 1 40 40 LEU HB2 H 1 1.722 0.003 . 2 . . . . 40 L HB2 . 17105 1 396 . 1 1 40 40 LEU HB3 H 1 1.064 0.003 . 2 . . . . 40 L HB3 . 17105 1 397 . 1 1 40 40 LEU HD11 H 1 0.616 0.003 . 2 . . . . 40 L QD1 . 17105 1 398 . 1 1 40 40 LEU HD12 H 1 0.616 0.003 . 2 . . . . 40 L QD1 . 17105 1 399 . 1 1 40 40 LEU HD13 H 1 0.616 0.003 . 2 . . . . 40 L QD1 . 17105 1 400 . 1 1 40 40 LEU HD21 H 1 0.883 0.003 . 2 . . . . 40 L QD2 . 17105 1 401 . 1 1 40 40 LEU HD22 H 1 0.883 0.003 . 2 . . . . 40 L QD2 . 17105 1 402 . 1 1 40 40 LEU HD23 H 1 0.883 0.003 . 2 . . . . 40 L QD2 . 17105 1 403 . 1 1 40 40 LEU HG H 1 1.336 0.003 . 1 . . . . 40 L HG . 17105 1 404 . 1 1 40 40 LEU CA C 13 54.708 0.16 . 1 . . . . 40 L CA . 17105 1 405 . 1 1 40 40 LEU CB C 13 45.125 0.16 . 1 . . . . 40 L CB . 17105 1 406 . 1 1 40 40 LEU CD1 C 13 23.549 0.16 . 2 . . . . 40 L CD1 . 17105 1 407 . 1 1 40 40 LEU CD2 C 13 20.078 0.16 . 2 . . . . 40 L CD2 . 17105 1 408 . 1 1 40 40 LEU CG C 13 27.567 0.16 . 1 . . . . 40 L CG . 17105 1 409 . 1 1 40 40 LEU N N 15 126.778 0.13 . 1 . . . . 40 L N . 17105 1 410 . 1 1 41 41 LYS H H 1 8.618 0.003 . 1 . . . . 41 K H . 17105 1 411 . 1 1 41 41 LYS HA H 1 4.563 0.003 . 1 . . . . 41 K HA . 17105 1 412 . 1 1 41 41 LYS HB2 H 1 1.749 0.003 . 2 . . . . 41 K HB2 . 17105 1 413 . 1 1 41 41 LYS HB3 H 1 1.796 0.003 . 2 . . . . 41 K HB3 . 17105 1 414 . 1 1 41 41 LYS HD2 H 1 1.684 0.003 . 2 . . . . 41 K QD . 17105 1 415 . 1 1 41 41 LYS HD3 H 1 1.684 0.003 . 2 . . . . 41 K QD . 17105 1 416 . 1 1 41 41 LYS HE2 H 1 2.941 0.003 . 2 . . . . 41 K QE . 17105 1 417 . 1 1 41 41 LYS HE3 H 1 2.941 0.003 . 2 . . . . 41 K QE . 17105 1 418 . 1 1 41 41 LYS HG2 H 1 1.395 0.003 . 2 . . . . 41 K HG2 . 17105 1 419 . 1 1 41 41 LYS HG3 H 1 1.316 0.003 . 2 . . . . 41 K HG3 . 17105 1 420 . 1 1 41 41 LYS CA C 13 55.023 0.16 . 1 . . . . 41 K CA . 17105 1 421 . 1 1 41 41 LYS CB C 13 34.011 0.16 . 1 . . . . 41 K CB . 17105 1 422 . 1 1 41 41 LYS CD C 13 29.053 0.16 . 1 . . . . 41 K CD . 17105 1 423 . 1 1 41 41 LYS CE C 13 42.270 0.16 . 1 . . . . 41 K CE . 17105 1 424 . 1 1 41 41 LYS CG C 13 24.614 0.16 . 1 . . . . 41 K CG . 17105 1 425 . 1 1 41 41 LYS N N 15 128.900 0.13 . 1 . . . . 41 K N . 17105 1 426 . 1 1 42 42 GLY H H 1 9.198 0.003 . 1 . . . . 42 G H . 17105 1 427 . 1 1 42 42 GLY HA2 H 1 4.102 0.003 . 2 . . . . 42 G HA2 . 17105 1 428 . 1 1 42 42 GLY HA3 H 1 3.653 0.003 . 2 . . . . 42 G HA3 . 17105 1 429 . 1 1 42 42 GLY CA C 13 47.315 0.16 . 1 . . . . 42 G CA . 17105 1 430 . 1 1 42 42 GLY N N 15 118.954 0.13 . 1 . . . . 42 G N . 17105 1 431 . 1 1 43 43 SER H H 1 8.490 0.003 . 1 . . . . 43 S H . 17105 1 432 . 1 1 43 43 SER HA H 1 4.392 0.003 . 1 . . . . 43 S HA . 17105 1 433 . 1 1 43 43 SER HB2 H 1 3.892 0.003 . 2 . . . . 43 S HB2 . 17105 1 434 . 1 1 43 43 SER HB3 H 1 4.495 0.003 . 2 . . . . 43 S HB3 . 17105 1 435 . 1 1 43 43 SER CA C 13 56.295 0.16 . 1 . . . . 43 S CA . 17105 1 436 . 1 1 43 43 SER CB C 13 64.414 0.16 . 1 . . . . 43 S CB . 17105 1 437 . 1 1 43 43 SER N N 15 119.093 0.13 . 1 . . . . 43 S N . 17105 1 438 . 1 1 44 44 LEU H H 1 8.002 0.003 . 1 . . . . 44 L H . 17105 1 439 . 1 1 44 44 LEU HA H 1 4.846 0.003 . 1 . . . . 44 L HA . 17105 1 440 . 1 1 44 44 LEU HB2 H 1 2.017 0.003 . 2 . . . . 44 L HB2 . 17105 1 441 . 1 1 44 44 LEU HB3 H 1 1.064 0.003 . 2 . . . . 44 L HB3 . 17105 1 442 . 1 1 44 44 LEU HD11 H 1 0.413 0.003 . 2 . . . . 44 L QD1 . 17105 1 443 . 1 1 44 44 LEU HD12 H 1 0.413 0.003 . 2 . . . . 44 L QD1 . 17105 1 444 . 1 1 44 44 LEU HD13 H 1 0.413 0.003 . 2 . . . . 44 L QD1 . 17105 1 445 . 1 1 44 44 LEU HD21 H 1 0.730 0.003 . 2 . . . . 44 L QD2 . 17105 1 446 . 1 1 44 44 LEU HD22 H 1 0.730 0.003 . 2 . . . . 44 L QD2 . 17105 1 447 . 1 1 44 44 LEU HD23 H 1 0.730 0.003 . 2 . . . . 44 L QD2 . 17105 1 448 . 1 1 44 44 LEU HG H 1 0.962 0.003 . 1 . . . . 44 L HG . 17105 1 449 . 1 1 44 44 LEU CA C 13 53.785 0.16 . 1 . . . . 44 L CA . 17105 1 450 . 1 1 44 44 LEU CB C 13 44.325 0.16 . 1 . . . . 44 L CB . 17105 1 451 . 1 1 44 44 LEU CD1 C 13 22.922 0.16 . 2 . . . . 44 L CD1 . 17105 1 452 . 1 1 44 44 LEU CD2 C 13 25.678 0.16 . 2 . . . . 44 L CD2 . 17105 1 453 . 1 1 44 44 LEU CG C 13 26.864 0.16 . 1 . . . . 44 L CG . 17105 1 454 . 1 1 44 44 LEU N N 15 124.386 0.13 . 1 . . . . 44 L N . 17105 1 455 . 1 1 45 45 ALA H H 1 8.997 0.003 . 1 . . . . 45 A H . 17105 1 456 . 1 1 45 45 ALA HA H 1 5.258 0.003 . 1 . . . . 45 A HA . 17105 1 457 . 1 1 45 45 ALA HB1 H 1 0.882 0.003 . 1 . . . . 45 A QB . 17105 1 458 . 1 1 45 45 ALA HB2 H 1 0.882 0.003 . 1 . . . . 45 A QB . 17105 1 459 . 1 1 45 45 ALA HB3 H 1 0.882 0.003 . 1 . . . . 45 A QB . 17105 1 460 . 1 1 45 45 ALA CA C 13 49.502 0.16 . 1 . . . . 45 A CA . 17105 1 461 . 1 1 45 45 ALA CB C 13 20.220 0.16 . 1 . . . . 45 A CB . 17105 1 462 . 1 1 45 45 ALA N N 15 131.713 0.13 . 1 . . . . 45 A N . 17105 1 463 . 1 1 46 46 TRP H H 1 8.825 0.003 . 1 . . . . 46 W H . 17105 1 464 . 1 1 46 46 TRP HA H 1 4.402 0.003 . 1 . . . . 46 W HA . 17105 1 465 . 1 1 46 46 TRP HB2 H 1 2.936 0.003 . 2 . . . . 46 W HB2 . 17105 1 466 . 1 1 46 46 TRP HB3 H 1 3.078 0.003 . 2 . . . . 46 W HB3 . 17105 1 467 . 1 1 46 46 TRP HD1 H 1 7.110 0.003 . 1 . . . . 46 W HD1 . 17105 1 468 . 1 1 46 46 TRP HE1 H 1 10.044 0.003 . 1 . . . . 46 W HE1 . 17105 1 469 . 1 1 46 46 TRP HE3 H 1 7.281 0.003 . 1 . . . . 46 W HE3 . 17105 1 470 . 1 1 46 46 TRP HH2 H 1 6.851 0.003 . 1 . . . . 46 W HH2 . 17105 1 471 . 1 1 46 46 TRP HZ2 H 1 7.275 0.003 . 1 . . . . 46 W HZ2 . 17105 1 472 . 1 1 46 46 TRP HZ3 H 1 6.535 0.003 . 1 . . . . 46 W HZ3 . 17105 1 473 . 1 1 46 46 TRP CA C 13 58.636 0.16 . 1 . . . . 46 W CA . 17105 1 474 . 1 1 46 46 TRP CB C 13 29.656 0.16 . 1 . . . . 46 W CB . 17105 1 475 . 1 1 46 46 TRP CD1 C 13 125.940 0.16 . 1 . . . . 46 W CD1 . 17105 1 476 . 1 1 46 46 TRP CE3 C 13 120.319 0.16 . 1 . . . . 46 W CE3 . 17105 1 477 . 1 1 46 46 TRP CH2 C 13 123.755 0.16 . 1 . . . . 46 W CH2 . 17105 1 478 . 1 1 46 46 TRP CZ2 C 13 114.497 0.16 . 1 . . . . 46 W CZ2 . 17105 1 479 . 1 1 46 46 TRP CZ3 C 13 120.399 0.16 . 1 . . . . 46 W CZ3 . 17105 1 480 . 1 1 46 46 TRP N N 15 124.026 0.13 . 1 . . . . 46 W N . 17105 1 481 . 1 1 46 46 TRP NE1 N 15 128.865 0.13 . 1 . . . . 46 W NE1 . 17105 1 482 . 1 1 47 47 LEU H H 1 9.020 0.003 . 1 . . . . 47 L H . 17105 1 483 . 1 1 47 47 LEU HA H 1 5.405 0.003 . 1 . . . . 47 L HA . 17105 1 484 . 1 1 47 47 LEU HB2 H 1 0.906 0.003 . 2 . . . . 47 L HB2 . 17105 1 485 . 1 1 47 47 LEU HB3 H 1 0.822 0.003 . 2 . . . . 47 L HB3 . 17105 1 486 . 1 1 47 47 LEU HD11 H 1 0.410 0.003 . 2 . . . . 47 L QD1 . 17105 1 487 . 1 1 47 47 LEU HD12 H 1 0.410 0.003 . 2 . . . . 47 L QD1 . 17105 1 488 . 1 1 47 47 LEU HD13 H 1 0.410 0.003 . 2 . . . . 47 L QD1 . 17105 1 489 . 1 1 47 47 LEU HD21 H 1 0.441 0.003 . 2 . . . . 47 L QD2 . 17105 1 490 . 1 1 47 47 LEU HD22 H 1 0.441 0.003 . 2 . . . . 47 L QD2 . 17105 1 491 . 1 1 47 47 LEU HD23 H 1 0.441 0.003 . 2 . . . . 47 L QD2 . 17105 1 492 . 1 1 47 47 LEU HG H 1 1.351 0.003 . 1 . . . . 47 L HG . 17105 1 493 . 1 1 47 47 LEU CA C 13 53.126 0.16 . 1 . . . . 47 L CA . 17105 1 494 . 1 1 47 47 LEU CB C 13 45.555 0.16 . 1 . . . . 47 L CB . 17105 1 495 . 1 1 47 47 LEU CD1 C 13 26.529 0.16 . 2 . . . . 47 L CD1 . 17105 1 496 . 1 1 47 47 LEU CD2 C 13 25.617 0.16 . 2 . . . . 47 L CD2 . 17105 1 497 . 1 1 47 47 LEU CG C 13 27.575 0.16 . 1 . . . . 47 L CG . 17105 1 498 . 1 1 47 47 LEU N N 15 122.056 0.13 . 1 . . . . 47 L N . 17105 1 499 . 1 1 48 48 GLU H H 1 8.689 0.003 . 1 . . . . 48 E H . 17105 1 500 . 1 1 48 48 GLU HA H 1 5.211 0.003 . 1 . . . . 48 E HA . 17105 1 501 . 1 1 48 48 GLU HB2 H 1 1.848 0.003 . 2 . . . . 48 E QB . 17105 1 502 . 1 1 48 48 GLU HB3 H 1 1.848 0.003 . 2 . . . . 48 E QB . 17105 1 503 . 1 1 48 48 GLU HG2 H 1 2.148 0.003 . 2 . . . . 48 E HG2 . 17105 1 504 . 1 1 48 48 GLU HG3 H 1 2.061 0.003 . 2 . . . . 48 E HG3 . 17105 1 505 . 1 1 48 48 GLU CA C 13 54.285 0.16 . 1 . . . . 48 E CA . 17105 1 506 . 1 1 48 48 GLU CB C 13 33.170 0.16 . 1 . . . . 48 E CB . 17105 1 507 . 1 1 48 48 GLU CG C 13 36.350 0.16 . 1 . . . . 48 E CG . 17105 1 508 . 1 1 48 48 GLU N N 15 120.698 0.13 . 1 . . . . 48 E N . 17105 1 509 . 1 1 49 49 LEU H H 1 9.156 0.003 . 1 . . . . 49 L H . 17105 1 510 . 1 1 49 49 LEU HA H 1 4.466 0.003 . 1 . . . . 49 L HA . 17105 1 511 . 1 1 49 49 LEU HB2 H 1 1.698 0.003 . 2 . . . . 49 L HB2 . 17105 1 512 . 1 1 49 49 LEU HB3 H 1 1.816 0.003 . 2 . . . . 49 L HB3 . 17105 1 513 . 1 1 49 49 LEU HD11 H 1 1.042 0.003 . 2 . . . . 49 L QD1 . 17105 1 514 . 1 1 49 49 LEU HD12 H 1 1.042 0.003 . 2 . . . . 49 L QD1 . 17105 1 515 . 1 1 49 49 LEU HD13 H 1 1.042 0.003 . 2 . . . . 49 L QD1 . 17105 1 516 . 1 1 49 49 LEU HD21 H 1 0.995 0.003 . 2 . . . . 49 L QD2 . 17105 1 517 . 1 1 49 49 LEU HD22 H 1 0.995 0.003 . 2 . . . . 49 L QD2 . 17105 1 518 . 1 1 49 49 LEU HD23 H 1 0.995 0.003 . 2 . . . . 49 L QD2 . 17105 1 519 . 1 1 49 49 LEU HG H 1 1.916 0.003 . 1 . . . . 49 L HG . 17105 1 520 . 1 1 49 49 LEU CA C 13 56.206 0.16 . 1 . . . . 49 L CA . 17105 1 521 . 1 1 49 49 LEU CB C 13 42.583 0.16 . 1 . . . . 49 L CB . 17105 1 522 . 1 1 49 49 LEU CD1 C 13 26.199 0.16 . 2 . . . . 49 L CD1 . 17105 1 523 . 1 1 49 49 LEU CD2 C 13 23.840 0.16 . 2 . . . . 49 L CD2 . 17105 1 524 . 1 1 49 49 LEU CG C 13 27.419 0.16 . 1 . . . . 49 L CG . 17105 1 525 . 1 1 49 49 LEU N N 15 127.673 0.13 . 1 . . . . 49 L N . 17105 1 526 . 1 1 50 50 PHE H H 1 8.441 0.003 . 1 . . . . 50 F H . 17105 1 527 . 1 1 50 50 PHE HA H 1 4.814 0.003 . 1 . . . . 50 F HA . 17105 1 528 . 1 1 50 50 PHE HB2 H 1 2.954 0.003 . 2 . . . . 50 F QB . 17105 1 529 . 1 1 50 50 PHE HB3 H 1 2.954 0.003 . 2 . . . . 50 F QB . 17105 1 530 . 1 1 50 50 PHE HD1 H 1 7.176 0.003 . 3 . . . . 50 F QD . 17105 1 531 . 1 1 50 50 PHE HD2 H 1 7.176 0.003 . 3 . . . . 50 F QD . 17105 1 532 . 1 1 50 50 PHE HE1 H 1 7.240 0.003 . 3 . . . . 50 F QE . 17105 1 533 . 1 1 50 50 PHE HE2 H 1 7.240 0.003 . 3 . . . . 50 F QE . 17105 1 534 . 1 1 50 50 PHE CA C 13 56.960 0.16 . 1 . . . . 50 F CA . 17105 1 535 . 1 1 50 50 PHE CB C 13 41.428 0.16 . 1 . . . . 50 F CB . 17105 1 536 . 1 1 50 50 PHE CD1 C 13 131.785 0.16 . 3 . . . . 50 F CD1 . 17105 1 537 . 1 1 50 50 PHE CE1 C 13 131.484 0.16 . 3 . . . . 50 F CE1 . 17105 1 538 . 1 1 50 50 PHE CZ C 13 129.648 0.16 . 1 . . . . 50 F CZ . 17105 1 539 . 1 1 50 50 PHE N N 15 121.151 0.13 . 1 . . . . 50 F N . 17105 1 540 . 1 1 51 51 GLY H H 1 8.420 0.003 . 1 . . . . 51 G H . 17105 1 541 . 1 1 51 51 GLY HA2 H 1 3.686 0.003 . 2 . . . . 51 G HA2 . 17105 1 542 . 1 1 51 51 GLY HA3 H 1 4.264 0.003 . 2 . . . . 51 G HA3 . 17105 1 543 . 1 1 51 51 GLY CA C 13 44.399 0.16 . 1 . . . . 51 G CA . 17105 1 544 . 1 1 51 51 GLY N N 15 110.735 0.13 . 1 . . . . 51 G N . 17105 1 545 . 1 1 52 52 ALA H H 1 8.403 0.003 . 1 . . . . 52 A H . 17105 1 546 . 1 1 52 52 ALA HA H 1 4.141 0.003 . 1 . . . . 52 A HA . 17105 1 547 . 1 1 52 52 ALA HB1 H 1 1.360 0.003 . 1 . . . . 52 A QB . 17105 1 548 . 1 1 52 52 ALA HB2 H 1 1.360 0.003 . 1 . . . . 52 A QB . 17105 1 549 . 1 1 52 52 ALA HB3 H 1 1.360 0.003 . 1 . . . . 52 A QB . 17105 1 550 . 1 1 52 52 ALA CA C 13 53.702 0.16 . 1 . . . . 52 A CA . 17105 1 551 . 1 1 52 52 ALA CB C 13 19.485 0.16 . 1 . . . . 52 A CB . 17105 1 552 . 1 1 52 52 ALA N N 15 121.850 0.13 . 1 . . . . 52 A N . 17105 1 553 . 1 1 53 53 GLU H H 1 8.174 0.003 . 1 . . . . 53 E H . 17105 1 554 . 1 1 53 53 GLU HA H 1 4.351 0.003 . 1 . . . . 53 E HA . 17105 1 555 . 1 1 53 53 GLU HB2 H 1 2.096 0.003 . 2 . . . . 53 E HB2 . 17105 1 556 . 1 1 53 53 GLU HB3 H 1 2.132 0.003 . 2 . . . . 53 E HB3 . 17105 1 557 . 1 1 53 53 GLU HG2 H 1 2.352 0.003 . 2 . . . . 53 E HG2 . 17105 1 558 . 1 1 53 53 GLU HG3 H 1 2.301 0.003 . 2 . . . . 53 E HG3 . 17105 1 559 . 1 1 53 53 GLU CA C 13 56.917 0.16 . 1 . . . . 53 E CA . 17105 1 560 . 1 1 53 53 GLU CB C 13 29.888 0.16 . 1 . . . . 53 E CB . 17105 1 561 . 1 1 53 53 GLU CG C 13 36.478 0.16 . 1 . . . . 53 E CG . 17105 1 562 . 1 1 53 53 GLU N N 15 117.444 0.13 . 1 . . . . 53 E N . 17105 1 563 . 1 1 54 54 GLN H H 1 8.323 0.003 . 1 . . . . 54 Q H . 17105 1 564 . 1 1 54 54 GLN HA H 1 4.527 0.003 . 1 . . . . 54 Q HA . 17105 1 565 . 1 1 54 54 GLN HB2 H 1 1.948 0.003 . 2 . . . . 54 Q HB2 . 17105 1 566 . 1 1 54 54 GLN HB3 H 1 1.738 0.003 . 2 . . . . 54 Q HB3 . 17105 1 567 . 1 1 54 54 GLN HE21 H 1 7.618 0.003 . 2 . . . . 54 Q HE21 . 17105 1 568 . 1 1 54 54 GLN HE22 H 1 6.678 0.003 . 2 . . . . 54 Q HE22 . 17105 1 569 . 1 1 54 54 GLN HG2 H 1 2.185 0.003 . 2 . . . . 54 Q QG . 17105 1 570 . 1 1 54 54 GLN HG3 H 1 2.185 0.003 . 2 . . . . 54 Q QG . 17105 1 571 . 1 1 54 54 GLN CA C 13 52.951 0.16 . 1 . . . . 54 Q CA . 17105 1 572 . 1 1 54 54 GLN CB C 13 30.005 0.16 . 1 . . . . 54 Q CB . 17105 1 573 . 1 1 54 54 GLN CG C 13 33.068 0.16 . 1 . . . . 54 Q CG . 17105 1 574 . 1 1 54 54 GLN N N 15 120.912 0.13 . 1 . . . . 54 Q N . 17105 1 575 . 1 1 54 54 GLN NE2 N 15 112.087 0.13 . 1 . . . . 54 Q NE2 . 17105 1 576 . 1 1 55 55 PRO HA H 1 4.039 0.003 . 1 . . . . 55 P HA . 17105 1 577 . 1 1 55 55 PRO HB2 H 1 1.288 0.003 . 2 . . . . 55 P HB2 . 17105 1 578 . 1 1 55 55 PRO HB3 H 1 1.465 0.003 . 2 . . . . 55 P HB3 . 17105 1 579 . 1 1 55 55 PRO HD2 H 1 3.393 0.003 . 2 . . . . 55 P HD2 . 17105 1 580 . 1 1 55 55 PRO HD3 H 1 2.884 0.003 . 2 . . . . 55 P HD3 . 17105 1 581 . 1 1 55 55 PRO HG2 H 1 1.591 0.003 . 2 . . . . 55 P HG2 . 17105 1 582 . 1 1 55 55 PRO HG3 H 1 1.041 0.003 . 2 . . . . 55 P HG3 . 17105 1 583 . 1 1 55 55 PRO CA C 13 60.876 0.16 . 1 . . . . 55 P CA . 17105 1 584 . 1 1 55 55 PRO CB C 13 29.442 0.16 . 1 . . . . 55 P CB . 17105 1 585 . 1 1 55 55 PRO CD C 13 49.700 0.16 . 1 . . . . 55 P CD . 17105 1 586 . 1 1 55 55 PRO CG C 13 26.521 0.16 . 1 . . . . 55 P CG . 17105 1 587 . 1 1 56 56 PRO HA H 1 4.532 0.003 . 1 . . . . 56 P HA . 17105 1 588 . 1 1 56 56 PRO HB2 H 1 2.302 0.003 . 2 . . . . 56 P HB2 . 17105 1 589 . 1 1 56 56 PRO HB3 H 1 1.647 0.003 . 2 . . . . 56 P HB3 . 17105 1 590 . 1 1 56 56 PRO HD2 H 1 3.698 0.003 . 2 . . . . 56 P HD2 . 17105 1 591 . 1 1 56 56 PRO HD3 H 1 3.215 0.003 . 2 . . . . 56 P HD3 . 17105 1 592 . 1 1 56 56 PRO HG2 H 1 1.943 0.003 . 2 . . . . 56 P QG . 17105 1 593 . 1 1 56 56 PRO HG3 H 1 1.943 0.003 . 2 . . . . 56 P QG . 17105 1 594 . 1 1 56 56 PRO CA C 13 61.102 0.16 . 1 . . . . 56 P CA . 17105 1 595 . 1 1 56 56 PRO CB C 13 29.890 0.16 . 1 . . . . 56 P CB . 17105 1 596 . 1 1 56 56 PRO CD C 13 50.000 0.16 . 1 . . . . 56 P CD . 17105 1 597 . 1 1 56 56 PRO CG C 13 27.561 0.16 . 1 . . . . 56 P CG . 17105 1 598 . 1 1 57 57 PRO HA H 1 4.231 0.003 . 1 . . . . 57 P HA . 17105 1 599 . 1 1 57 57 PRO HB2 H 1 2.189 0.003 . 2 . . . . 57 P HB2 . 17105 1 600 . 1 1 57 57 PRO HB3 H 1 1.716 0.003 . 2 . . . . 57 P HB3 . 17105 1 601 . 1 1 57 57 PRO HD2 H 1 3.452 0.003 . 2 . . . . 57 P HD2 . 17105 1 602 . 1 1 57 57 PRO HD3 H 1 3.693 0.003 . 2 . . . . 57 P HD3 . 17105 1 603 . 1 1 57 57 PRO HG2 H 1 1.942 0.003 . 2 . . . . 57 P HG2 . 17105 1 604 . 1 1 57 57 PRO HG3 H 1 1.913 0.003 . 2 . . . . 57 P HG3 . 17105 1 605 . 1 1 57 57 PRO CA C 13 63.431 0.16 . 1 . . . . 57 P CA . 17105 1 606 . 1 1 57 57 PRO CB C 13 31.901 0.16 . 1 . . . . 57 P CB . 17105 1 607 . 1 1 57 57 PRO CD C 13 50.234 0.16 . 1 . . . . 57 P CD . 17105 1 608 . 1 1 57 57 PRO CG C 13 27.455 0.16 . 1 . . . . 57 P CG . 17105 1 609 . 1 1 58 58 ASN H H 1 9.050 0.003 . 1 . . . . 58 N H . 17105 1 610 . 1 1 58 58 ASN HA H 1 4.235 0.003 . 1 . . . . 58 N HA . 17105 1 611 . 1 1 58 58 ASN HB2 H 1 2.846 0.003 . 2 . . . . 58 N HB2 . 17105 1 612 . 1 1 58 58 ASN HB3 H 1 2.808 0.003 . 2 . . . . 58 N HB3 . 17105 1 613 . 1 1 58 58 ASN HD21 H 1 7.485 0.003 . 2 . . . . 58 N HD21 . 17105 1 614 . 1 1 58 58 ASN HD22 H 1 6.808 0.003 . 2 . . . . 58 N HD22 . 17105 1 615 . 1 1 58 58 ASN CA C 13 54.593 0.16 . 1 . . . . 58 N CA . 17105 1 616 . 1 1 58 58 ASN CB C 13 37.512 0.16 . 1 . . . . 58 N CB . 17105 1 617 . 1 1 58 58 ASN N N 15 115.936 0.13 . 1 . . . . 58 N N . 17105 1 618 . 1 1 58 58 ASN ND2 N 15 113.473 0.13 . 1 . . . . 58 N ND2 . 17105 1 619 . 1 1 59 59 THR H H 1 7.890 0.003 . 1 . . . . 59 T H . 17105 1 620 . 1 1 59 59 THR HA H 1 4.038 0.003 . 1 . . . . 59 T HA . 17105 1 621 . 1 1 59 59 THR HB H 1 3.713 0.003 . 1 . . . . 59 T HB . 17105 1 622 . 1 1 59 59 THR HG21 H 1 0.869 0.003 . 1 . . . . 59 T QG2 . 17105 1 623 . 1 1 59 59 THR HG22 H 1 0.869 0.003 . 1 . . . . 59 T QG2 . 17105 1 624 . 1 1 59 59 THR HG23 H 1 0.869 0.003 . 1 . . . . 59 T QG2 . 17105 1 625 . 1 1 59 59 THR CA C 13 64.294 0.16 . 1 . . . . 59 T CA . 17105 1 626 . 1 1 59 59 THR CB C 13 69.757 0.16 . 1 . . . . 59 T CB . 17105 1 627 . 1 1 59 59 THR CG2 C 13 21.832 0.16 . 1 . . . . 59 T CG2 . 17105 1 628 . 1 1 59 59 THR N N 15 111.504 0.13 . 1 . . . . 59 T N . 17105 1 629 . 1 1 60 60 LEU H H 1 8.216 0.003 . 1 . . . . 60 L H . 17105 1 630 . 1 1 60 60 LEU HA H 1 3.885 0.003 . 1 . . . . 60 L HA . 17105 1 631 . 1 1 60 60 LEU HB2 H 1 1.190 0.003 . 2 . . . . 60 L HB2 . 17105 1 632 . 1 1 60 60 LEU HB3 H 1 0.905 0.003 . 2 . . . . 60 L HB3 . 17105 1 633 . 1 1 60 60 LEU HD11 H 1 0.185 0.003 . 2 . . . . 60 L QD1 . 17105 1 634 . 1 1 60 60 LEU HD12 H 1 0.185 0.003 . 2 . . . . 60 L QD1 . 17105 1 635 . 1 1 60 60 LEU HD13 H 1 0.185 0.003 . 2 . . . . 60 L QD1 . 17105 1 636 . 1 1 60 60 LEU HD21 H 1 0.033 0.003 . 2 . . . . 60 L QD2 . 17105 1 637 . 1 1 60 60 LEU HD22 H 1 0.033 0.003 . 2 . . . . 60 L QD2 . 17105 1 638 . 1 1 60 60 LEU HD23 H 1 0.033 0.003 . 2 . . . . 60 L QD2 . 17105 1 639 . 1 1 60 60 LEU HG H 1 1.010 0.003 . 1 . . . . 60 L HG . 17105 1 640 . 1 1 60 60 LEU CA C 13 54.517 0.16 . 1 . . . . 60 L CA . 17105 1 641 . 1 1 60 60 LEU CB C 13 41.760 0.16 . 1 . . . . 60 L CB . 17105 1 642 . 1 1 60 60 LEU CD1 C 13 25.127 0.16 . 2 . . . . 60 L CD1 . 17105 1 643 . 1 1 60 60 LEU CD2 C 13 23.710 0.16 . 2 . . . . 60 L CD2 . 17105 1 644 . 1 1 60 60 LEU CG C 13 26.659 0.16 . 1 . . . . 60 L CG . 17105 1 645 . 1 1 60 60 LEU N N 15 123.507 0.13 . 1 . . . . 60 L N . 17105 1 646 . 1 1 61 61 SER H H 1 6.826 0.003 . 1 . . . . 61 S H . 17105 1 647 . 1 1 61 61 SER HA H 1 4.346 0.003 . 1 . . . . 61 S HA . 17105 1 648 . 1 1 61 61 SER HB2 H 1 3.549 0.003 . 2 . . . . 61 S HB2 . 17105 1 649 . 1 1 61 61 SER HB3 H 1 3.585 0.003 . 2 . . . . 61 S HB3 . 17105 1 650 . 1 1 61 61 SER CA C 13 56.447 0.16 . 1 . . . . 61 S CA . 17105 1 651 . 1 1 61 61 SER CB C 13 65.477 0.16 . 1 . . . . 61 S CB . 17105 1 652 . 1 1 61 61 SER N N 15 114.573 0.13 . 1 . . . . 61 S N . 17105 1 653 . 1 1 62 62 GLU H H 1 8.867 0.003 . 1 . . . . 62 E H . 17105 1 654 . 1 1 62 62 GLU HA H 1 3.406 0.003 . 1 . . . . 62 E HA . 17105 1 655 . 1 1 62 62 GLU HB2 H 1 1.789 0.003 . 2 . . . . 62 E QB . 17105 1 656 . 1 1 62 62 GLU HB3 H 1 1.789 0.003 . 2 . . . . 62 E QB . 17105 1 657 . 1 1 62 62 GLU HG2 H 1 2.010 0.003 . 2 . . . . 62 E HG2 . 17105 1 658 . 1 1 62 62 GLU HG3 H 1 2.144 0.003 . 2 . . . . 62 E HG3 . 17105 1 659 . 1 1 62 62 GLU CA C 13 59.039 0.16 . 1 . . . . 62 E CA . 17105 1 660 . 1 1 62 62 GLU CB C 13 28.747 0.16 . 1 . . . . 62 E CB . 17105 1 661 . 1 1 62 62 GLU CG C 13 36.973 0.16 . 1 . . . . 62 E CG . 17105 1 662 . 1 1 62 62 GLU N N 15 122.050 0.13 . 1 . . . . 62 E N . 17105 1 663 . 1 1 63 63 GLY H H 1 9.143 0.003 . 1 . . . . 63 G H . 17105 1 664 . 1 1 63 63 GLY HA2 H 1 3.420 0.003 . 2 . . . . 63 G HA2 . 17105 1 665 . 1 1 63 63 GLY HA3 H 1 4.327 0.003 . 2 . . . . 63 G HA3 . 17105 1 666 . 1 1 63 63 GLY CA C 13 44.700 0.16 . 1 . . . . 63 G CA . 17105 1 667 . 1 1 63 63 GLY N N 15 113.325 0.13 . 1 . . . . 63 G N . 17105 1 668 . 1 1 64 64 ALA H H 1 7.551 0.003 . 1 . . . . 64 A H . 17105 1 669 . 1 1 64 64 ALA HA H 1 4.145 0.003 . 1 . . . . 64 A HA . 17105 1 670 . 1 1 64 64 ALA HB1 H 1 1.339 0.003 . 1 . . . . 64 A QB . 17105 1 671 . 1 1 64 64 ALA HB2 H 1 1.339 0.003 . 1 . . . . 64 A QB . 17105 1 672 . 1 1 64 64 ALA HB3 H 1 1.339 0.003 . 1 . . . . 64 A QB . 17105 1 673 . 1 1 64 64 ALA CA C 13 52.999 0.16 . 1 . . . . 64 A CA . 17105 1 674 . 1 1 64 64 ALA CB C 13 18.427 0.16 . 1 . . . . 64 A CB . 17105 1 675 . 1 1 64 64 ALA N N 15 123.273 0.13 . 1 . . . . 64 A N . 17105 1 676 . 1 1 65 65 GLU H H 1 8.678 0.003 . 1 . . . . 65 E H . 17105 1 677 . 1 1 65 65 GLU HA H 1 4.394 0.003 . 1 . . . . 65 E HA . 17105 1 678 . 1 1 65 65 GLU HB2 H 1 1.913 0.003 . 2 . . . . 65 E HB2 . 17105 1 679 . 1 1 65 65 GLU HB3 H 1 2.050 0.003 . 2 . . . . 65 E HB3 . 17105 1 680 . 1 1 65 65 GLU HG2 H 1 2.199 0.003 . 2 . . . . 65 E HG2 . 17105 1 681 . 1 1 65 65 GLU HG3 H 1 2.383 0.003 . 2 . . . . 65 E HG3 . 17105 1 682 . 1 1 65 65 GLU CA C 13 57.287 0.16 . 1 . . . . 65 E CA . 17105 1 683 . 1 1 65 65 GLU CB C 13 30.693 0.16 . 1 . . . . 65 E CB . 17105 1 684 . 1 1 65 65 GLU CG C 13 36.822 0.16 . 1 . . . . 65 E CG . 17105 1 685 . 1 1 65 65 GLU N N 15 121.936 0.13 . 1 . . . . 65 E N . 17105 1 686 . 1 1 66 66 VAL H H 1 8.141 0.003 . 1 . . . . 66 V H . 17105 1 687 . 1 1 66 66 VAL HA H 1 5.312 0.003 . 1 . . . . 66 V HA . 17105 1 688 . 1 1 66 66 VAL HB H 1 1.906 0.003 . 1 . . . . 66 V HB . 17105 1 689 . 1 1 66 66 VAL HG11 H 1 0.693 0.003 . 2 . . . . 66 V QG1 . 17105 1 690 . 1 1 66 66 VAL HG12 H 1 0.693 0.003 . 2 . . . . 66 V QG1 . 17105 1 691 . 1 1 66 66 VAL HG13 H 1 0.693 0.003 . 2 . . . . 66 V QG1 . 17105 1 692 . 1 1 66 66 VAL HG21 H 1 0.430 0.003 . 2 . . . . 66 V QG2 . 17105 1 693 . 1 1 66 66 VAL HG22 H 1 0.430 0.003 . 2 . . . . 66 V QG2 . 17105 1 694 . 1 1 66 66 VAL HG23 H 1 0.430 0.003 . 2 . . . . 66 V QG2 . 17105 1 695 . 1 1 66 66 VAL CA C 13 58.210 0.16 . 1 . . . . 66 V CA . 17105 1 696 . 1 1 66 66 VAL CB C 13 35.743 0.16 . 1 . . . . 66 V CB . 17105 1 697 . 1 1 66 66 VAL CG1 C 13 22.297 0.16 . 2 . . . . 66 V CG1 . 17105 1 698 . 1 1 66 66 VAL CG2 C 13 19.799 0.16 . 2 . . . . 66 V CG2 . 17105 1 699 . 1 1 66 66 VAL N N 15 115.987 0.13 . 1 . . . . 66 V N . 17105 1 700 . 1 1 67 67 SER H H 1 8.706 0.003 . 1 . . . . 67 S H . 17105 1 701 . 1 1 67 67 SER HA H 1 5.095 0.003 . 1 . . . . 67 S HA . 17105 1 702 . 1 1 67 67 SER HB2 H 1 3.489 0.003 . 2 . . . . 67 S HB2 . 17105 1 703 . 1 1 67 67 SER HB3 H 1 3.618 0.003 . 2 . . . . 67 S HB3 . 17105 1 704 . 1 1 67 67 SER CA C 13 57.855 0.16 . 1 . . . . 67 S CA . 17105 1 705 . 1 1 67 67 SER CB C 13 65.632 0.16 . 1 . . . . 67 S CB . 17105 1 706 . 1 1 67 67 SER N N 15 115.693 0.13 . 1 . . . . 67 S N . 17105 1 707 . 1 1 68 68 VAL H H 1 9.031 0.003 . 1 . . . . 68 V H . 17105 1 708 . 1 1 68 68 VAL HA H 1 5.108 0.003 . 1 . . . . 68 V HA . 17105 1 709 . 1 1 68 68 VAL HB H 1 1.689 0.003 . 1 . . . . 68 V HB . 17105 1 710 . 1 1 68 68 VAL HG11 H 1 0.544 0.003 . 2 . . . . 68 V QG1 . 17105 1 711 . 1 1 68 68 VAL HG12 H 1 0.544 0.003 . 2 . . . . 68 V QG1 . 17105 1 712 . 1 1 68 68 VAL HG13 H 1 0.544 0.003 . 2 . . . . 68 V QG1 . 17105 1 713 . 1 1 68 68 VAL HG21 H 1 0.414 0.003 . 2 . . . . 68 V QG2 . 17105 1 714 . 1 1 68 68 VAL HG22 H 1 0.414 0.003 . 2 . . . . 68 V QG2 . 17105 1 715 . 1 1 68 68 VAL HG23 H 1 0.414 0.003 . 2 . . . . 68 V QG2 . 17105 1 716 . 1 1 68 68 VAL CA C 13 59.645 0.16 . 1 . . . . 68 V CA . 17105 1 717 . 1 1 68 68 VAL CB C 13 34.458 0.16 . 1 . . . . 68 V CB . 17105 1 718 . 1 1 68 68 VAL CG1 C 13 22.394 0.16 . 2 . . . . 68 V CG1 . 17105 1 719 . 1 1 68 68 VAL CG2 C 13 20.034 0.16 . 2 . . . . 68 V CG2 . 17105 1 720 . 1 1 68 68 VAL N N 15 122.454 0.13 . 1 . . . . 68 V N . 17105 1 721 . 1 1 69 69 SER H H 1 8.834 0.003 . 1 . . . . 69 S H . 17105 1 722 . 1 1 69 69 SER HA H 1 5.917 0.003 . 1 . . . . 69 S HA . 17105 1 723 . 1 1 69 69 SER HB2 H 1 3.587 0.003 . 2 . . . . 69 S QB . 17105 1 724 . 1 1 69 69 SER HB3 H 1 3.587 0.003 . 2 . . . . 69 S QB . 17105 1 725 . 1 1 69 69 SER CA C 13 56.581 0.16 . 1 . . . . 69 S CA . 17105 1 726 . 1 1 69 69 SER CB C 13 66.309 0.16 . 1 . . . . 69 S CB . 17105 1 727 . 1 1 69 69 SER N N 15 117.477 0.13 . 1 . . . . 69 S N . 17105 1 728 . 1 1 70 70 VAL H H 1 8.840 0.003 . 1 . . . . 70 V H . 17105 1 729 . 1 1 70 70 VAL HA H 1 4.674 0.003 . 1 . . . . 70 V HA . 17105 1 730 . 1 1 70 70 VAL HB H 1 2.141 0.003 . 1 . . . . 70 V HB . 17105 1 731 . 1 1 70 70 VAL HG11 H 1 1.034 0.003 . 2 . . . . 70 V QG1 . 17105 1 732 . 1 1 70 70 VAL HG12 H 1 1.034 0.003 . 2 . . . . 70 V QG1 . 17105 1 733 . 1 1 70 70 VAL HG13 H 1 1.034 0.003 . 2 . . . . 70 V QG1 . 17105 1 734 . 1 1 70 70 VAL HG21 H 1 0.707 0.003 . 2 . . . . 70 V QG2 . 17105 1 735 . 1 1 70 70 VAL HG22 H 1 0.707 0.003 . 2 . . . . 70 V QG2 . 17105 1 736 . 1 1 70 70 VAL HG23 H 1 0.707 0.003 . 2 . . . . 70 V QG2 . 17105 1 737 . 1 1 70 70 VAL CA C 13 59.900 0.16 . 1 . . . . 70 V CA . 17105 1 738 . 1 1 70 70 VAL CB C 13 36.238 0.16 . 1 . . . . 70 V CB . 17105 1 739 . 1 1 70 70 VAL CG1 C 13 21.346 0.16 . 2 . . . . 70 V CG1 . 17105 1 740 . 1 1 70 70 VAL CG2 C 13 19.889 0.16 . 2 . . . . 70 V CG2 . 17105 1 741 . 1 1 70 70 VAL N N 15 120.222 0.13 . 1 . . . . 70 V N . 17105 1 742 . 1 1 71 71 TRP H H 1 8.545 0.003 . 1 . . . . 71 W H . 17105 1 743 . 1 1 71 71 TRP HA H 1 5.248 0.003 . 1 . . . . 71 W HA . 17105 1 744 . 1 1 71 71 TRP HB2 H 1 3.078 0.003 . 2 . . . . 71 W HB2 . 17105 1 745 . 1 1 71 71 TRP HB3 H 1 2.997 0.003 . 2 . . . . 71 W HB3 . 17105 1 746 . 1 1 71 71 TRP HD1 H 1 7.127 0.003 . 1 . . . . 71 W HD1 . 17105 1 747 . 1 1 71 71 TRP HE1 H 1 10.044 0.003 . 1 . . . . 71 W HE1 . 17105 1 748 . 1 1 71 71 TRP HE3 H 1 7.127 0.003 . 1 . . . . 71 W HE3 . 17105 1 749 . 1 1 71 71 TRP HH2 H 1 6.913 0.003 . 1 . . . . 71 W HH2 . 17105 1 750 . 1 1 71 71 TRP HZ2 H 1 7.275 0.003 . 1 . . . . 71 W HZ2 . 17105 1 751 . 1 1 71 71 TRP HZ3 H 1 6.814 0.003 . 1 . . . . 71 W HZ3 . 17105 1 752 . 1 1 71 71 TRP CA C 13 56.583 0.16 . 1 . . . . 71 W CA . 17105 1 753 . 1 1 71 71 TRP CB C 13 29.034 0.16 . 1 . . . . 71 W CB . 17105 1 754 . 1 1 71 71 TRP CD1 C 13 127.052 0.16 . 1 . . . . 71 W CD1 . 17105 1 755 . 1 1 71 71 TRP CE3 C 13 120.522 0.16 . 1 . . . . 71 W CE3 . 17105 1 756 . 1 1 71 71 TRP CH2 C 13 124.102 0.16 . 1 . . . . 71 W CH2 . 17105 1 757 . 1 1 71 71 TRP CZ2 C 13 114.503 0.16 . 1 . . . . 71 W CZ2 . 17105 1 758 . 1 1 71 71 TRP CZ3 C 13 121.847 0.16 . 1 . . . . 71 W CZ3 . 17105 1 759 . 1 1 71 71 TRP N N 15 127.121 0.13 . 1 . . . . 71 W N . 17105 1 760 . 1 1 71 71 TRP NE1 N 15 128.902 0.13 . 1 . . . . 71 W NE1 . 17105 1 761 . 1 1 72 72 THR H H 1 9.112 0.003 . 1 . . . . 72 T H . 17105 1 762 . 1 1 72 72 THR HA H 1 4.603 0.003 . 1 . . . . 72 T HA . 17105 1 763 . 1 1 72 72 THR HB H 1 4.127 0.003 . 1 . . . . 72 T HB . 17105 1 764 . 1 1 72 72 THR HG21 H 1 1.244 0.003 . 1 . . . . 72 T QG2 . 17105 1 765 . 1 1 72 72 THR HG22 H 1 1.244 0.003 . 1 . . . . 72 T QG2 . 17105 1 766 . 1 1 72 72 THR HG23 H 1 1.244 0.003 . 1 . . . . 72 T QG2 . 17105 1 767 . 1 1 72 72 THR CA C 13 60.452 0.16 . 1 . . . . 72 T CA . 17105 1 768 . 1 1 72 72 THR CB C 13 69.960 0.16 . 1 . . . . 72 T CB . 17105 1 769 . 1 1 72 72 THR CG2 C 13 20.847 0.16 . 1 . . . . 72 T CG2 . 17105 1 770 . 1 1 72 72 THR N N 15 121.250 0.13 . 1 . . . . 72 T N . 17105 1 771 . 1 1 73 73 GLY H H 1 8.781 0.003 . 1 . . . . 73 G H . 17105 1 772 . 1 1 73 73 GLY HA2 H 1 3.851 0.003 . 2 . . . . 73 G HA2 . 17105 1 773 . 1 1 73 73 GLY HA3 H 1 3.684 0.003 . 2 . . . . 73 G HA3 . 17105 1 774 . 1 1 73 73 GLY CA C 13 46.902 0.16 . 1 . . . . 73 G CA . 17105 1 775 . 1 1 73 73 GLY N N 15 117.227 0.13 . 1 . . . . 73 G N . 17105 1 776 . 1 1 74 74 GLY H H 1 8.419 0.003 . 1 . . . . 74 G H . 17105 1 777 . 1 1 74 74 GLY HA2 H 1 3.667 0.003 . 2 . . . . 74 G HA2 . 17105 1 778 . 1 1 74 74 GLY HA3 H 1 4.014 0.003 . 2 . . . . 74 G HA3 . 17105 1 779 . 1 1 74 74 GLY CA C 13 45.264 0.16 . 1 . . . . 74 G CA . 17105 1 780 . 1 1 74 74 GLY N N 15 106.186 0.13 . 1 . . . . 74 G N . 17105 1 781 . 1 1 75 75 ALA H H 1 7.579 0.003 . 1 . . . . 75 A H . 17105 1 782 . 1 1 75 75 ALA HA H 1 4.784 0.003 . 1 . . . . 75 A HA . 17105 1 783 . 1 1 75 75 ALA HB1 H 1 1.127 0.003 . 1 . . . . 75 A QB . 17105 1 784 . 1 1 75 75 ALA HB2 H 1 1.127 0.003 . 1 . . . . 75 A QB . 17105 1 785 . 1 1 75 75 ALA HB3 H 1 1.127 0.003 . 1 . . . . 75 A QB . 17105 1 786 . 1 1 75 75 ALA CA C 13 50.548 0.16 . 1 . . . . 75 A CA . 17105 1 787 . 1 1 75 75 ALA CB C 13 22.130 0.16 . 1 . . . . 75 A CB . 17105 1 788 . 1 1 75 75 ALA N N 15 122.260 0.13 . 1 . . . . 75 A N . 17105 1 789 . 1 1 76 76 LEU H H 1 8.047 0.003 . 1 . . . . 76 L H . 17105 1 790 . 1 1 76 76 LEU HA H 1 3.998 0.003 . 1 . . . . 76 L HA . 17105 1 791 . 1 1 76 76 LEU HB2 H 1 1.183 0.003 . 2 . . . . 76 L HB2 . 17105 1 792 . 1 1 76 76 LEU HB3 H 1 -0.187 0.003 . 2 . . . . 76 L HB3 . 17105 1 793 . 1 1 76 76 LEU HD11 H 1 0.104 0.003 . 2 . . . . 76 L QD1 . 17105 1 794 . 1 1 76 76 LEU HD12 H 1 0.104 0.003 . 2 . . . . 76 L QD1 . 17105 1 795 . 1 1 76 76 LEU HD13 H 1 0.104 0.003 . 2 . . . . 76 L QD1 . 17105 1 796 . 1 1 76 76 LEU HD21 H 1 0.493 0.003 . 2 . . . . 76 L QD2 . 17105 1 797 . 1 1 76 76 LEU HD22 H 1 0.493 0.003 . 2 . . . . 76 L QD2 . 17105 1 798 . 1 1 76 76 LEU HD23 H 1 0.493 0.003 . 2 . . . . 76 L QD2 . 17105 1 799 . 1 1 76 76 LEU HG H 1 0.890 0.003 . 1 . . . . 76 L HG . 17105 1 800 . 1 1 76 76 LEU CA C 13 53.867 0.16 . 1 . . . . 76 L CA . 17105 1 801 . 1 1 76 76 LEU CB C 13 41.423 0.16 . 1 . . . . 76 L CB . 17105 1 802 . 1 1 76 76 LEU CD1 C 13 21.729 0.16 . 2 . . . . 76 L CD1 . 17105 1 803 . 1 1 76 76 LEU CD2 C 13 25.379 0.16 . 2 . . . . 76 L CD2 . 17105 1 804 . 1 1 76 76 LEU CG C 13 26.934 0.16 . 1 . . . . 76 L CG . 17105 1 805 . 1 1 76 76 LEU N N 15 124.431 0.13 . 1 . . . . 76 L N . 17105 1 806 . 1 1 77 77 CYS H H 1 8.876 0.003 . 1 . . . . 77 C H . 17105 1 807 . 1 1 77 77 CYS HA H 1 5.173 0.003 . 1 . . . . 77 C HA . 17105 1 808 . 1 1 77 77 CYS HB2 H 1 2.520 0.003 . 2 . . . . 77 C HB2 . 17105 1 809 . 1 1 77 77 CYS HB3 H 1 1.919 0.003 . 2 . . . . 77 C HB3 . 17105 1 810 . 1 1 77 77 CYS CA C 13 57.506 0.16 . 1 . . . . 77 C CA . 17105 1 811 . 1 1 77 77 CYS CB C 13 29.489 0.16 . 1 . . . . 77 C CB . 17105 1 812 . 1 1 77 77 CYS N N 15 125.827 0.13 . 1 . . . . 77 C N . 17105 1 813 . 1 1 78 78 ARG H H 1 8.845 0.003 . 1 . . . . 78 R H . 17105 1 814 . 1 1 78 78 ARG HA H 1 5.521 0.003 . 1 . . . . 78 R HA . 17105 1 815 . 1 1 78 78 ARG HB2 H 1 1.444 0.003 . 2 . . . . 78 R QB . 17105 1 816 . 1 1 78 78 ARG HB3 H 1 1.444 0.003 . 2 . . . . 78 R QB . 17105 1 817 . 1 1 78 78 ARG HD2 H 1 2.936 0.003 . 2 . . . . 78 R QD . 17105 1 818 . 1 1 78 78 ARG HD3 H 1 2.936 0.003 . 2 . . . . 78 R QD . 17105 1 819 . 1 1 78 78 ARG HG2 H 1 1.447 0.003 . 2 . . . . 78 R HG2 . 17105 1 820 . 1 1 78 78 ARG HG3 H 1 1.348 0.003 . 2 . . . . 78 R HG3 . 17105 1 821 . 1 1 78 78 ARG CA C 13 54.016 0.16 . 1 . . . . 78 R CA . 17105 1 822 . 1 1 78 78 ARG CB C 13 35.050 0.16 . 1 . . . . 78 R CB . 17105 1 823 . 1 1 78 78 ARG CD C 13 43.576 0.16 . 1 . . . . 78 R CD . 17105 1 824 . 1 1 78 78 ARG CG C 13 26.993 0.16 . 1 . . . . 78 R CG . 17105 1 825 . 1 1 78 78 ARG N N 15 122.046 0.13 . 1 . . . . 78 R N . 17105 1 826 . 1 1 79 79 CYS H H 1 9.252 0.003 . 1 . . . . 79 C H . 17105 1 827 . 1 1 79 79 CYS HA H 1 4.731 0.003 . 1 . . . . 79 C HA . 17105 1 828 . 1 1 79 79 CYS HB2 H 1 2.658 0.003 . 2 . . . . 79 C HB2 . 17105 1 829 . 1 1 79 79 CYS HB3 H 1 2.388 0.003 . 2 . . . . 79 C HB3 . 17105 1 830 . 1 1 79 79 CYS CA C 13 58.540 0.16 . 1 . . . . 79 C CA . 17105 1 831 . 1 1 79 79 CYS CB C 13 31.840 0.16 . 1 . . . . 79 C CB . 17105 1 832 . 1 1 79 79 CYS N N 15 125.668 0.13 . 1 . . . . 79 C N . 17105 1 833 . 1 1 80 80 ASP H H 1 8.927 0.003 . 1 . . . . 80 D H . 17105 1 834 . 1 1 80 80 ASP HA H 1 5.253 0.003 . 1 . . . . 80 D HA . 17105 1 835 . 1 1 80 80 ASP HB2 H 1 2.831 0.003 . 2 . . . . 80 D HB2 . 17105 1 836 . 1 1 80 80 ASP HB3 H 1 2.587 0.003 . 2 . . . . 80 D HB3 . 17105 1 837 . 1 1 80 80 ASP CA C 13 54.601 0.16 . 1 . . . . 80 D CA . 17105 1 838 . 1 1 80 80 ASP CB C 13 42.579 0.16 . 1 . . . . 80 D CB . 17105 1 839 . 1 1 80 80 ASP N N 15 128.034 0.13 . 1 . . . . 80 D N . 17105 1 840 . 1 1 81 81 GLY H H 1 8.248 0.003 . 1 . . . . 81 G H . 17105 1 841 . 1 1 81 81 GLY HA2 H 1 3.546 0.003 . 2 . . . . 81 G HA2 . 17105 1 842 . 1 1 81 81 GLY HA3 H 1 4.779 0.003 . 2 . . . . 81 G HA3 . 17105 1 843 . 1 1 81 81 GLY CA C 13 46.298 0.16 . 1 . . . . 81 G CA . 17105 1 844 . 1 1 81 81 GLY N N 15 103.432 0.13 . 1 . . . . 81 G N . 17105 1 845 . 1 1 82 82 ARG H H 1 8.638 0.003 . 1 . . . . 82 R H . 17105 1 846 . 1 1 82 82 ARG HA H 1 5.405 0.003 . 1 . . . . 82 R HA . 17105 1 847 . 1 1 82 82 ARG HB2 H 1 1.492 0.003 . 2 . . . . 82 R QB . 17105 1 848 . 1 1 82 82 ARG HB3 H 1 1.492 0.003 . 2 . . . . 82 R QB . 17105 1 849 . 1 1 82 82 ARG HD2 H 1 3.102 0.003 . 2 . . . . 82 R HD2 . 17105 1 850 . 1 1 82 82 ARG HD3 H 1 3.032 0.003 . 2 . . . . 82 R HD3 . 17105 1 851 . 1 1 82 82 ARG HG2 H 1 1.339 0.003 . 2 . . . . 82 R QG . 17105 1 852 . 1 1 82 82 ARG HG3 H 1 1.339 0.003 . 2 . . . . 82 R QG . 17105 1 853 . 1 1 82 82 ARG CA C 13 53.694 0.16 . 1 . . . . 82 R CA . 17105 1 854 . 1 1 82 82 ARG CB C 13 34.245 0.16 . 1 . . . . 82 R CB . 17105 1 855 . 1 1 82 82 ARG CD C 13 43.219 0.16 . 1 . . . . 82 R CD . 17105 1 856 . 1 1 82 82 ARG CG C 13 27.274 0.16 . 1 . . . . 82 R CG . 17105 1 857 . 1 1 82 82 ARG N N 15 119.685 0.13 . 1 . . . . 82 R N . 17105 1 858 . 1 1 83 83 VAL H H 1 8.998 0.003 . 1 . . . . 83 V H . 17105 1 859 . 1 1 83 83 VAL HA H 1 3.844 0.003 . 1 . . . . 83 V HA . 17105 1 860 . 1 1 83 83 VAL HB H 1 2.207 0.003 . 1 . . . . 83 V HB . 17105 1 861 . 1 1 83 83 VAL HG11 H 1 0.643 0.003 . 2 . . . . 83 V QG1 . 17105 1 862 . 1 1 83 83 VAL HG12 H 1 0.643 0.003 . 2 . . . . 83 V QG1 . 17105 1 863 . 1 1 83 83 VAL HG13 H 1 0.643 0.003 . 2 . . . . 83 V QG1 . 17105 1 864 . 1 1 83 83 VAL HG21 H 1 0.522 0.003 . 2 . . . . 83 V QG2 . 17105 1 865 . 1 1 83 83 VAL HG22 H 1 0.522 0.003 . 2 . . . . 83 V QG2 . 17105 1 866 . 1 1 83 83 VAL HG23 H 1 0.522 0.003 . 2 . . . . 83 V QG2 . 17105 1 867 . 1 1 83 83 VAL CA C 13 64.524 0.16 . 1 . . . . 83 V CA . 17105 1 868 . 1 1 83 83 VAL CB C 13 31.051 0.16 . 1 . . . . 83 V CB . 17105 1 869 . 1 1 83 83 VAL CG1 C 13 22.224 0.16 . 2 . . . . 83 V CG1 . 17105 1 870 . 1 1 83 83 VAL CG2 C 13 21.743 0.16 . 2 . . . . 83 V CG2 . 17105 1 871 . 1 1 83 83 VAL N N 15 123.235 0.13 . 1 . . . . 83 V N . 17105 1 872 . 1 1 84 84 GLU H H 1 9.322 0.003 . 1 . . . . 84 E H . 17105 1 873 . 1 1 84 84 GLU HA H 1 4.404 0.003 . 1 . . . . 84 E HA . 17105 1 874 . 1 1 84 84 GLU HB2 H 1 1.755 0.003 . 2 . . . . 84 E HB2 . 17105 1 875 . 1 1 84 84 GLU HB3 H 1 1.435 0.003 . 2 . . . . 84 E HB3 . 17105 1 876 . 1 1 84 84 GLU HG2 H 1 2.040 0.003 . 2 . . . . 84 E HG2 . 17105 1 877 . 1 1 84 84 GLU HG3 H 1 1.990 0.003 . 2 . . . . 84 E HG3 . 17105 1 878 . 1 1 84 84 GLU CA C 13 57.874 0.16 . 1 . . . . 84 E CA . 17105 1 879 . 1 1 84 84 GLU CB C 13 32.554 0.16 . 1 . . . . 84 E CB . 17105 1 880 . 1 1 84 84 GLU CG C 13 36.845 0.16 . 1 . . . . 84 E CG . 17105 1 881 . 1 1 84 84 GLU N N 15 133.169 0.13 . 1 . . . . 84 E N . 17105 1 882 . 1 1 85 85 THR H H 1 6.992 0.003 . 1 . . . . 85 T H . 17105 1 883 . 1 1 85 85 THR HA H 1 4.524 0.003 . 1 . . . . 85 T HA . 17105 1 884 . 1 1 85 85 THR HB H 1 3.505 0.003 . 1 . . . . 85 T HB . 17105 1 885 . 1 1 85 85 THR HG21 H 1 1.238 0.003 . 1 . . . . 85 T QG2 . 17105 1 886 . 1 1 85 85 THR HG22 H 1 1.238 0.003 . 1 . . . . 85 T QG2 . 17105 1 887 . 1 1 85 85 THR HG23 H 1 1.238 0.003 . 1 . . . . 85 T QG2 . 17105 1 888 . 1 1 85 85 THR CA C 13 61.325 0.16 . 1 . . . . 85 T CA . 17105 1 889 . 1 1 85 85 THR CB C 13 71.655 0.16 . 1 . . . . 85 T CB . 17105 1 890 . 1 1 85 85 THR CG2 C 13 22.366 0.16 . 1 . . . . 85 T CG2 . 17105 1 891 . 1 1 85 85 THR N N 15 111.246 0.13 . 1 . . . . 85 T N . 17105 1 892 . 1 1 86 86 LEU H H 1 9.303 0.003 . 1 . . . . 86 L H . 17105 1 893 . 1 1 86 86 LEU HA H 1 4.661 0.003 . 1 . . . . 86 L HA . 17105 1 894 . 1 1 86 86 LEU HB2 H 1 1.603 0.003 . 2 . . . . 86 L HB2 . 17105 1 895 . 1 1 86 86 LEU HB3 H 1 1.401 0.003 . 2 . . . . 86 L HB3 . 17105 1 896 . 1 1 86 86 LEU HD11 H 1 0.639 0.003 . 2 . . . . 86 L QD1 . 17105 1 897 . 1 1 86 86 LEU HD12 H 1 0.639 0.003 . 2 . . . . 86 L QD1 . 17105 1 898 . 1 1 86 86 LEU HD13 H 1 0.639 0.003 . 2 . . . . 86 L QD1 . 17105 1 899 . 1 1 86 86 LEU HD21 H 1 0.537 0.003 . 2 . . . . 86 L QD2 . 17105 1 900 . 1 1 86 86 LEU HD22 H 1 0.537 0.003 . 2 . . . . 86 L QD2 . 17105 1 901 . 1 1 86 86 LEU HD23 H 1 0.537 0.003 . 2 . . . . 86 L QD2 . 17105 1 902 . 1 1 86 86 LEU HG H 1 1.400 0.003 . 1 . . . . 86 L HG . 17105 1 903 . 1 1 86 86 LEU CA C 13 54.539 0.16 . 1 . . . . 86 L CA . 17105 1 904 . 1 1 86 86 LEU CB C 13 43.295 0.16 . 1 . . . . 86 L CB . 17105 1 905 . 1 1 86 86 LEU CD1 C 13 25.580 0.16 . 2 . . . . 86 L CD1 . 17105 1 906 . 1 1 86 86 LEU CD2 C 13 25.059 0.16 . 2 . . . . 86 L CD2 . 17105 1 907 . 1 1 86 86 LEU CG C 13 27.582 0.16 . 1 . . . . 86 L CG . 17105 1 908 . 1 1 86 86 LEU N N 15 127.732 0.13 . 1 . . . . 86 L N . 17105 1 909 . 1 1 87 87 ARG H H 1 8.577 0.003 . 1 . . . . 87 R H . 17105 1 910 . 1 1 87 87 ARG HA H 1 4.533 0.003 . 1 . . . . 87 R HA . 17105 1 911 . 1 1 87 87 ARG HB2 H 1 1.932 0.003 . 2 . . . . 87 R HB2 . 17105 1 912 . 1 1 87 87 ARG HB3 H 1 2.005 0.003 . 2 . . . . 87 R HB3 . 17105 1 913 . 1 1 87 87 ARG HD2 H 1 3.012 0.003 . 2 . . . . 87 R HD2 . 17105 1 914 . 1 1 87 87 ARG HD3 H 1 2.865 0.003 . 2 . . . . 87 R HD3 . 17105 1 915 . 1 1 87 87 ARG HG2 H 1 1.649 0.003 . 2 . . . . 87 R HG2 . 17105 1 916 . 1 1 87 87 ARG HG3 H 1 1.547 0.003 . 2 . . . . 87 R HG3 . 17105 1 917 . 1 1 87 87 ARG CA C 13 58.238 0.16 . 1 . . . . 87 R CA . 17105 1 918 . 1 1 87 87 ARG CB C 13 31.971 0.16 . 1 . . . . 87 R CB . 17105 1 919 . 1 1 87 87 ARG CD C 13 43.372 0.16 . 1 . . . . 87 R CD . 17105 1 920 . 1 1 87 87 ARG CG C 13 27.034 0.16 . 1 . . . . 87 R CG . 17105 1 921 . 1 1 87 87 ARG N N 15 124.294 0.13 . 1 . . . . 87 R N . 17105 1 922 . 1 1 88 88 ASP H H 1 8.731 0.003 . 1 . . . . 88 D H . 17105 1 923 . 1 1 88 88 ASP HA H 1 4.487 0.003 . 1 . . . . 88 D HA . 17105 1 924 . 1 1 88 88 ASP HB2 H 1 2.913 0.003 . 2 . . . . 88 D HB2 . 17105 1 925 . 1 1 88 88 ASP HB3 H 1 3.010 0.003 . 2 . . . . 88 D HB3 . 17105 1 926 . 1 1 88 88 ASP CA C 13 54.015 0.16 . 1 . . . . 88 D CA . 17105 1 927 . 1 1 88 88 ASP CB C 13 40.810 0.16 . 1 . . . . 88 D CB . 17105 1 928 . 1 1 88 88 ASP N N 15 118.917 0.13 . 1 . . . . 88 D N . 17105 1 929 . 1 1 89 89 ASP H H 1 8.042 0.003 . 1 . . . . 89 D H . 17105 1 930 . 1 1 89 89 ASP HA H 1 4.367 0.003 . 1 . . . . 89 D HA . 17105 1 931 . 1 1 89 89 ASP HB2 H 1 2.607 0.003 . 2 . . . . 89 D HB2 . 17105 1 932 . 1 1 89 89 ASP HB3 H 1 2.528 0.003 . 2 . . . . 89 D HB3 . 17105 1 933 . 1 1 89 89 ASP CA C 13 56.150 0.16 . 1 . . . . 89 D CA . 17105 1 934 . 1 1 89 89 ASP CB C 13 40.619 0.16 . 1 . . . . 89 D CB . 17105 1 935 . 1 1 89 89 ASP N N 15 113.768 0.13 . 1 . . . . 89 D N . 17105 1 936 . 1 1 90 90 ARG H H 1 8.370 0.003 . 1 . . . . 90 R H . 17105 1 937 . 1 1 90 90 ARG HA H 1 4.545 0.003 . 1 . . . . 90 R HA . 17105 1 938 . 1 1 90 90 ARG HB2 H 1 1.849 0.003 . 2 . . . . 90 R HB2 . 17105 1 939 . 1 1 90 90 ARG HB3 H 1 2.107 0.003 . 2 . . . . 90 R HB3 . 17105 1 940 . 1 1 90 90 ARG HD2 H 1 3.113 0.003 . 2 . . . . 90 R HD2 . 17105 1 941 . 1 1 90 90 ARG HD3 H 1 3.247 0.003 . 2 . . . . 90 R HD3 . 17105 1 942 . 1 1 90 90 ARG HG2 H 1 1.587 0.003 . 2 . . . . 90 R HG2 . 17105 1 943 . 1 1 90 90 ARG HG3 H 1 1.438 0.003 . 2 . . . . 90 R HG3 . 17105 1 944 . 1 1 90 90 ARG CA C 13 55.702 0.16 . 1 . . . . 90 R CA . 17105 1 945 . 1 1 90 90 ARG CB C 13 32.586 0.16 . 1 . . . . 90 R CB . 17105 1 946 . 1 1 90 90 ARG CD C 13 43.085 0.16 . 1 . . . . 90 R CD . 17105 1 947 . 1 1 90 90 ARG CG C 13 27.963 0.16 . 1 . . . . 90 R CG . 17105 1 948 . 1 1 90 90 ARG N N 15 112.561 0.13 . 1 . . . . 90 R N . 17105 1 949 . 1 1 91 91 GLN H H 1 7.947 0.003 . 1 . . . . 91 Q H . 17105 1 950 . 1 1 91 91 GLN HA H 1 5.371 0.003 . 1 . . . . 91 Q HA . 17105 1 951 . 1 1 91 91 GLN HB2 H 1 2.105 0.003 . 2 . . . . 91 Q HB2 . 17105 1 952 . 1 1 91 91 GLN HB3 H 1 2.017 0.003 . 2 . . . . 91 Q HB3 . 17105 1 953 . 1 1 91 91 GLN HE21 H 1 6.693 0.003 . 2 . . . . 91 Q HE21 . 17105 1 954 . 1 1 91 91 GLN HE22 H 1 7.967 0.003 . 2 . . . . 91 Q HE22 . 17105 1 955 . 1 1 91 91 GLN HG2 H 1 2.106 0.003 . 2 . . . . 91 Q HG2 . 17105 1 956 . 1 1 91 91 GLN HG3 H 1 2.600 0.003 . 2 . . . . 91 Q HG3 . 17105 1 957 . 1 1 91 91 GLN CA C 13 55.243 0.16 . 1 . . . . 91 Q CA . 17105 1 958 . 1 1 91 91 GLN CB C 13 32.930 0.16 . 1 . . . . 91 Q CB . 17105 1 959 . 1 1 91 91 GLN CG C 13 34.952 0.16 . 1 . . . . 91 Q CG . 17105 1 960 . 1 1 91 91 GLN N N 15 118.333 0.13 . 1 . . . . 91 Q N . 17105 1 961 . 1 1 91 91 GLN NE2 N 15 112.654 0.13 . 1 . . . . 91 Q NE2 . 17105 1 962 . 1 1 92 92 PHE H H 1 7.910 0.003 . 1 . . . . 92 F H . 17105 1 963 . 1 1 92 92 PHE HA H 1 4.874 0.003 . 1 . . . . 92 F HA . 17105 1 964 . 1 1 92 92 PHE HB2 H 1 3.469 0.003 . 2 . . . . 92 F HB2 . 17105 1 965 . 1 1 92 92 PHE HB3 H 1 2.872 0.003 . 2 . . . . 92 F HB3 . 17105 1 966 . 1 1 92 92 PHE HD1 H 1 6.731 0.003 . 3 . . . . 92 F QD . 17105 1 967 . 1 1 92 92 PHE HD2 H 1 6.731 0.003 . 3 . . . . 92 F QD . 17105 1 968 . 1 1 92 92 PHE HE1 H 1 6.778 0.003 . 3 . . . . 92 F QE . 17105 1 969 . 1 1 92 92 PHE HE2 H 1 6.778 0.003 . 3 . . . . 92 F QE . 17105 1 970 . 1 1 92 92 PHE HZ H 1 6.690 0.003 . 1 . . . . 92 F HZ . 17105 1 971 . 1 1 92 92 PHE CA C 13 55.720 0.16 . 1 . . . . 92 F CA . 17105 1 972 . 1 1 92 92 PHE CB C 13 40.461 0.16 . 1 . . . . 92 F CB . 17105 1 973 . 1 1 92 92 PHE CD1 C 13 132.601 0.16 . 3 . . . . 92 F CD1 . 17105 1 974 . 1 1 92 92 PHE CD2 C 13 132.595 0.16 . 3 . . . . 92 F CD2 . 17105 1 975 . 1 1 92 92 PHE CE1 C 13 130.068 0.16 . 3 . . . . 92 F CE1 . 17105 1 976 . 1 1 92 92 PHE CE2 C 13 130.064 0.16 . 3 . . . . 92 F CE2 . 17105 1 977 . 1 1 92 92 PHE CZ C 13 128.153 0.16 . 1 . . . . 92 F CZ . 17105 1 978 . 1 1 92 92 PHE N N 15 118.388 0.13 . 1 . . . . 92 F N . 17105 1 979 . 1 1 93 93 ALA H H 1 8.583 0.003 . 1 . . . . 93 A H . 17105 1 980 . 1 1 93 93 ALA HA H 1 4.672 0.003 . 1 . . . . 93 A HA . 17105 1 981 . 1 1 93 93 ALA HB1 H 1 -0.410 0.003 . 1 . . . . 93 A QB . 17105 1 982 . 1 1 93 93 ALA HB2 H 1 -0.410 0.003 . 1 . . . . 93 A QB . 17105 1 983 . 1 1 93 93 ALA HB3 H 1 -0.410 0.003 . 1 . . . . 93 A QB . 17105 1 984 . 1 1 93 93 ALA CA C 13 49.005 0.16 . 1 . . . . 93 A CA . 17105 1 985 . 1 1 93 93 ALA CB C 13 19.061 0.16 . 1 . . . . 93 A CB . 17105 1 986 . 1 1 93 93 ALA N N 15 122.229 0.13 . 1 . . . . 93 A N . 17105 1 987 . 1 1 94 94 ILE H H 1 9.132 0.003 . 1 . . . . 94 I H . 17105 1 988 . 1 1 94 94 ILE HA H 1 4.663 0.003 . 1 . . . . 94 I HA . 17105 1 989 . 1 1 94 94 ILE HB H 1 1.346 0.003 . 1 . . . . 94 I HB . 17105 1 990 . 1 1 94 94 ILE HD11 H 1 0.424 0.003 . 1 . . . . 94 I QD1 . 17105 1 991 . 1 1 94 94 ILE HD12 H 1 0.424 0.003 . 1 . . . . 94 I QD1 . 17105 1 992 . 1 1 94 94 ILE HD13 H 1 0.424 0.003 . 1 . . . . 94 I QD1 . 17105 1 993 . 1 1 94 94 ILE HG12 H 1 1.261 0.003 . 2 . . . . 94 I HG12 . 17105 1 994 . 1 1 94 94 ILE HG13 H 1 0.958 0.003 . 2 . . . . 94 I HG13 . 17105 1 995 . 1 1 94 94 ILE HG21 H 1 0.563 0.003 . 1 . . . . 94 I QG2 . 17105 1 996 . 1 1 94 94 ILE HG22 H 1 0.563 0.003 . 1 . . . . 94 I QG2 . 17105 1 997 . 1 1 94 94 ILE HG23 H 1 0.563 0.003 . 1 . . . . 94 I QG2 . 17105 1 998 . 1 1 94 94 ILE CA C 13 57.594 0.16 . 1 . . . . 94 I CA . 17105 1 999 . 1 1 94 94 ILE CB C 13 40.256 0.16 . 1 . . . . 94 I CB . 17105 1 1000 . 1 1 94 94 ILE CD1 C 13 14.710 0.16 . 1 . . . . 94 I CD1 . 17105 1 1001 . 1 1 94 94 ILE CG1 C 13 26.289 0.16 . 1 . . . . 94 I CG1 . 17105 1 1002 . 1 1 94 94 ILE CG2 C 13 18.046 0.16 . 1 . . . . 94 I CG2 . 17105 1 1003 . 1 1 94 94 ILE N N 15 118.229 0.13 . 1 . . . . 94 I N . 17105 1 1004 . 1 1 95 95 ARG H H 1 8.945 0.003 . 1 . . . . 95 R H . 17105 1 1005 . 1 1 95 95 ARG HA H 1 4.729 0.003 . 1 . . . . 95 R HA . 17105 1 1006 . 1 1 95 95 ARG HB2 H 1 1.733 0.003 . 2 . . . . 95 R HB2 . 17105 1 1007 . 1 1 95 95 ARG HB3 H 1 1.632 0.003 . 2 . . . . 95 R HB3 . 17105 1 1008 . 1 1 95 95 ARG HD2 H 1 3.043 0.003 . 2 . . . . 95 R HD2 . 17105 1 1009 . 1 1 95 95 ARG HD3 H 1 3.113 0.003 . 2 . . . . 95 R HD3 . 17105 1 1010 . 1 1 95 95 ARG HE H 1 8.641 0.003 . 1 . . . . 95 R HE . 17105 1 1011 . 1 1 95 95 ARG HG2 H 1 1.516 0.003 . 2 . . . . 95 R HG2 . 17105 1 1012 . 1 1 95 95 ARG HG3 H 1 1.317 0.003 . 2 . . . . 95 R HG3 . 17105 1 1013 . 1 1 95 95 ARG CA C 13 51.922 0.16 . 1 . . . . 95 R CA . 17105 1 1014 . 1 1 95 95 ARG CB C 13 30.135 0.16 . 1 . . . . 95 R CB . 17105 1 1015 . 1 1 95 95 ARG CD C 13 43.255 0.16 . 1 . . . . 95 R CD . 17105 1 1016 . 1 1 95 95 ARG CG C 13 24.682 0.16 . 1 . . . . 95 R CG . 17105 1 1017 . 1 1 95 95 ARG N N 15 126.075 0.13 . 1 . . . . 95 R N . 17105 1 1018 . 1 1 95 95 ARG NE N 15 86.629 0.13 . 1 . . . . 95 R NE . 17105 1 1019 . 1 1 96 96 LEU H H 1 8.978 0.003 . 1 . . . . 96 L H . 17105 1 1020 . 1 1 96 96 LEU HA H 1 4.213 0.003 . 1 . . . . 96 L HA . 17105 1 1021 . 1 1 96 96 LEU HB2 H 1 0.603 0.003 . 2 . . . . 96 L QB . 17105 1 1022 . 1 1 96 96 LEU HB3 H 1 0.603 0.003 . 2 . . . . 96 L QB . 17105 1 1023 . 1 1 96 96 LEU HD11 H 1 0.134 0.003 . 2 . . . . 96 L QD1 . 17105 1 1024 . 1 1 96 96 LEU HD12 H 1 0.134 0.003 . 2 . . . . 96 L QD1 . 17105 1 1025 . 1 1 96 96 LEU HD13 H 1 0.134 0.003 . 2 . . . . 96 L QD1 . 17105 1 1026 . 1 1 96 96 LEU HD21 H 1 0.066 0.003 . 2 . . . . 96 L QD2 . 17105 1 1027 . 1 1 96 96 LEU HD22 H 1 0.066 0.003 . 2 . . . . 96 L QD2 . 17105 1 1028 . 1 1 96 96 LEU HD23 H 1 0.066 0.003 . 2 . . . . 96 L QD2 . 17105 1 1029 . 1 1 96 96 LEU HG H 1 1.116 0.003 . 1 . . . . 96 L HG . 17105 1 1030 . 1 1 96 96 LEU CA C 13 55.152 0.16 . 1 . . . . 96 L CA . 17105 1 1031 . 1 1 96 96 LEU CB C 13 40.228 0.16 . 1 . . . . 96 L CB . 17105 1 1032 . 1 1 96 96 LEU CD1 C 13 22.144 0.16 . 2 . . . . 96 L CD1 . 17105 1 1033 . 1 1 96 96 LEU CD2 C 13 25.603 0.16 . 2 . . . . 96 L CD2 . 17105 1 1034 . 1 1 96 96 LEU CG C 13 26.695 0.16 . 1 . . . . 96 L CG . 17105 1 1035 . 1 1 96 96 LEU N N 15 130.135 0.13 . 1 . . . . 96 L N . 17105 1 1036 . 1 1 97 97 VAL H H 1 8.007 0.003 . 1 . . . . 97 V H . 17105 1 1037 . 1 1 97 97 VAL HA H 1 4.382 0.003 . 1 . . . . 97 V HA . 17105 1 1038 . 1 1 97 97 VAL HB H 1 1.818 0.003 . 1 . . . . 97 V HB . 17105 1 1039 . 1 1 97 97 VAL HG11 H 1 0.736 0.003 . 2 . . . . 97 V QG1 . 17105 1 1040 . 1 1 97 97 VAL HG12 H 1 0.736 0.003 . 2 . . . . 97 V QG1 . 17105 1 1041 . 1 1 97 97 VAL HG13 H 1 0.736 0.003 . 2 . . . . 97 V QG1 . 17105 1 1042 . 1 1 97 97 VAL HG21 H 1 0.638 0.003 . 2 . . . . 97 V QG2 . 17105 1 1043 . 1 1 97 97 VAL HG22 H 1 0.638 0.003 . 2 . . . . 97 V QG2 . 17105 1 1044 . 1 1 97 97 VAL HG23 H 1 0.638 0.003 . 2 . . . . 97 V QG2 . 17105 1 1045 . 1 1 97 97 VAL CA C 13 60.219 0.16 . 1 . . . . 97 V CA . 17105 1 1046 . 1 1 97 97 VAL CB C 13 35.371 0.16 . 1 . . . . 97 V CB . 17105 1 1047 . 1 1 97 97 VAL CG1 C 13 21.010 0.16 . 2 . . . . 97 V CG1 . 17105 1 1048 . 1 1 97 97 VAL CG2 C 13 19.414 0.16 . 2 . . . . 97 V CG2 . 17105 1 1049 . 1 1 97 97 VAL N N 15 116.809 0.13 . 1 . . . . 97 V N . 17105 1 1050 . 1 1 98 98 GLY H H 1 8.317 0.003 . 1 . . . . 98 G H . 17105 1 1051 . 1 1 98 98 GLY HA2 H 1 3.826 0.003 . 2 . . . . 98 G HA2 . 17105 1 1052 . 1 1 98 98 GLY HA3 H 1 4.088 0.003 . 2 . . . . 98 G HA3 . 17105 1 1053 . 1 1 98 98 GLY CA C 13 44.616 0.16 . 1 . . . . 98 G CA . 17105 1 1054 . 1 1 98 98 GLY N N 15 108.216 0.13 . 1 . . . . 98 G N . 17105 1 1055 . 1 1 99 99 ARG H H 1 8.450 0.003 . 1 . . . . 99 R H . 17105 1 1056 . 1 1 99 99 ARG HA H 1 4.530 0.003 . 1 . . . . 99 R HA . 17105 1 1057 . 1 1 99 99 ARG HB2 H 1 1.715 0.003 . 2 . . . . 99 R HB2 . 17105 1 1058 . 1 1 99 99 ARG HB3 H 1 1.595 0.003 . 2 . . . . 99 R HB3 . 17105 1 1059 . 1 1 99 99 ARG HD2 H 1 3.112 0.003 . 2 . . . . 99 R QD . 17105 1 1060 . 1 1 99 99 ARG HD3 H 1 3.112 0.003 . 2 . . . . 99 R QD . 17105 1 1061 . 1 1 99 99 ARG HG2 H 1 1.565 0.003 . 2 . . . . 99 R QG . 17105 1 1062 . 1 1 99 99 ARG HG3 H 1 1.565 0.003 . 2 . . . . 99 R QG . 17105 1 1063 . 1 1 99 99 ARG CA C 13 54.754 0.16 . 1 . . . . 99 R CA . 17105 1 1064 . 1 1 99 99 ARG CB C 13 31.598 0.16 . 1 . . . . 99 R CB . 17105 1 1065 . 1 1 99 99 ARG CD C 13 43.174 0.16 . 1 . . . . 99 R CD . 17105 1 1066 . 1 1 99 99 ARG CG C 13 26.764 0.16 . 1 . . . . 99 R CG . 17105 1 1067 . 1 1 99 99 ARG N N 15 118.972 0.13 . 1 . . . . 99 R N . 17105 1 1068 . 1 1 100 100 VAL H H 1 8.758 0.003 . 1 . . . . 100 V H . 17105 1 1069 . 1 1 100 100 VAL HA H 1 3.956 0.003 . 1 . . . . 100 V HA . 17105 1 1070 . 1 1 100 100 VAL HB H 1 1.277 0.003 . 1 . . . . 100 V HB . 17105 1 1071 . 1 1 100 100 VAL HG11 H 1 -0.171 0.003 . 2 . . . . 100 V QG1 . 17105 1 1072 . 1 1 100 100 VAL HG12 H 1 -0.171 0.003 . 2 . . . . 100 V QG1 . 17105 1 1073 . 1 1 100 100 VAL HG13 H 1 -0.171 0.003 . 2 . . . . 100 V QG1 . 17105 1 1074 . 1 1 100 100 VAL HG21 H 1 0.881 0.003 . 2 . . . . 100 V QG2 . 17105 1 1075 . 1 1 100 100 VAL HG22 H 1 0.881 0.003 . 2 . . . . 100 V QG2 . 17105 1 1076 . 1 1 100 100 VAL HG23 H 1 0.881 0.003 . 2 . . . . 100 V QG2 . 17105 1 1077 . 1 1 100 100 VAL CA C 13 63.131 0.16 . 1 . . . . 100 V CA . 17105 1 1078 . 1 1 100 100 VAL CB C 13 31.538 0.16 . 1 . . . . 100 V CB . 17105 1 1079 . 1 1 100 100 VAL CG1 C 13 20.531 0.16 . 2 . . . . 100 V CG1 . 17105 1 1080 . 1 1 100 100 VAL CG2 C 13 22.374 0.16 . 2 . . . . 100 V CG2 . 17105 1 1081 . 1 1 100 100 VAL N N 15 124.345 0.13 . 1 . . . . 100 V N . 17105 1 1082 . 1 1 101 101 ARG H H 1 8.810 0.003 . 1 . . . . 101 R H . 17105 1 1083 . 1 1 101 101 ARG HA H 1 4.485 0.003 . 1 . . . . 101 R HA . 17105 1 1084 . 1 1 101 101 ARG HB2 H 1 1.594 0.003 . 2 . . . . 101 R QB . 17105 1 1085 . 1 1 101 101 ARG HB3 H 1 1.594 0.003 . 2 . . . . 101 R QB . 17105 1 1086 . 1 1 101 101 ARG HD2 H 1 3.070 0.003 . 2 . . . . 101 R QD . 17105 1 1087 . 1 1 101 101 ARG HD3 H 1 3.070 0.003 . 2 . . . . 101 R QD . 17105 1 1088 . 1 1 101 101 ARG HG2 H 1 1.487 0.003 . 2 . . . . 101 R QG . 17105 1 1089 . 1 1 101 101 ARG HG3 H 1 1.487 0.003 . 2 . . . . 101 R QG . 17105 1 1090 . 1 1 101 101 ARG CA C 13 54.231 0.16 . 1 . . . . 101 R CA . 17105 1 1091 . 1 1 101 101 ARG CB C 13 32.170 0.16 . 1 . . . . 101 R CB . 17105 1 1092 . 1 1 101 101 ARG CD C 13 43.124 0.16 . 1 . . . . 101 R CD . 17105 1 1093 . 1 1 101 101 ARG CG C 13 27.030 0.16 . 1 . . . . 101 R CG . 17105 1 1094 . 1 1 101 101 ARG N N 15 127.305 0.13 . 1 . . . . 101 R N . 17105 1 1095 . 1 1 102 102 GLU H H 1 8.533 0.003 . 1 . . . . 102 E H . 17105 1 1096 . 1 1 102 102 GLU HA H 1 4.584 0.003 . 1 . . . . 102 E HA . 17105 1 1097 . 1 1 102 102 GLU HB2 H 1 1.821 0.003 . 2 . . . . 102 E HB2 . 17105 1 1098 . 1 1 102 102 GLU HB3 H 1 1.720 0.003 . 2 . . . . 102 E HB3 . 17105 1 1099 . 1 1 102 102 GLU HG2 H 1 2.080 0.003 . 2 . . . . 102 E QG . 17105 1 1100 . 1 1 102 102 GLU HG3 H 1 2.080 0.003 . 2 . . . . 102 E QG . 17105 1 1101 . 1 1 102 102 GLU CA C 13 55.458 0.16 . 1 . . . . 102 E CA . 17105 1 1102 . 1 1 102 102 GLU CB C 13 30.277 0.16 . 1 . . . . 102 E CB . 17105 1 1103 . 1 1 102 102 GLU CG C 13 36.305 0.16 . 1 . . . . 102 E CG . 17105 1 1104 . 1 1 102 102 GLU N N 15 123.398 0.13 . 1 . . . . 102 E N . 17105 1 1105 . 1 1 103 103 LEU H H 1 9.072 0.003 . 1 . . . . 103 L H . 17105 1 1106 . 1 1 103 103 LEU HA H 1 4.322 0.003 . 1 . . . . 103 L HA . 17105 1 1107 . 1 1 103 103 LEU HB2 H 1 1.476 0.003 . 2 . . . . 103 L QB . 17105 1 1108 . 1 1 103 103 LEU HB3 H 1 1.476 0.003 . 2 . . . . 103 L QB . 17105 1 1109 . 1 1 103 103 LEU HD11 H 1 0.663 0.003 . 2 . . . . 103 L QQD . 17105 1 1110 . 1 1 103 103 LEU HD12 H 1 0.663 0.003 . 2 . . . . 103 L QQD . 17105 1 1111 . 1 1 103 103 LEU HD13 H 1 0.663 0.003 . 2 . . . . 103 L QQD . 17105 1 1112 . 1 1 103 103 LEU HD21 H 1 0.663 0.003 . 2 . . . . 103 L QQD . 17105 1 1113 . 1 1 103 103 LEU HD22 H 1 0.663 0.003 . 2 . . . . 103 L QQD . 17105 1 1114 . 1 1 103 103 LEU HD23 H 1 0.663 0.003 . 2 . . . . 103 L QQD . 17105 1 1115 . 1 1 103 103 LEU HG H 1 1.435 0.003 . 1 . . . . 103 L HG . 17105 1 1116 . 1 1 103 103 LEU CA C 13 55.242 0.16 . 1 . . . . 103 L CA . 17105 1 1117 . 1 1 103 103 LEU CB C 13 42.729 0.16 . 1 . . . . 103 L CB . 17105 1 1118 . 1 1 103 103 LEU CD1 C 13 23.354 0.16 . 2 . . . . 103 L CD1 . 17105 1 1119 . 1 1 103 103 LEU CD2 C 13 25.173 0.16 . 2 . . . . 103 L CD2 . 17105 1 1120 . 1 1 103 103 LEU CG C 13 27.203 0.16 . 1 . . . . 103 L CG . 17105 1 1121 . 1 1 103 103 LEU N N 15 126.621 0.13 . 1 . . . . 103 L N . 17105 1 1122 . 1 1 104 104 GLN H H 1 7.952 0.003 . 1 . . . . 104 Q H . 17105 1 1123 . 1 1 104 104 GLN HA H 1 4.369 0.003 . 1 . . . . 104 Q HA . 17105 1 1124 . 1 1 104 104 GLN HB2 H 1 1.913 0.003 . 2 . . . . 104 Q HB2 . 17105 1 1125 . 1 1 104 104 GLN HB3 H 1 2.077 0.003 . 2 . . . . 104 Q HB3 . 17105 1 1126 . 1 1 104 104 GLN HE21 H 1 7.449 0.003 . 2 . . . . 104 Q HE21 . 17105 1 1127 . 1 1 104 104 GLN HE22 H 1 6.915 0.003 . 2 . . . . 104 Q HE22 . 17105 1 1128 . 1 1 104 104 GLN HG2 H 1 2.275 0.003 . 2 . . . . 104 Q QG . 17105 1 1129 . 1 1 104 104 GLN HG3 H 1 2.275 0.003 . 2 . . . . 104 Q QG . 17105 1 1130 . 1 1 104 104 GLN CA C 13 55.452 0.16 . 1 . . . . 104 Q CA . 17105 1 1131 . 1 1 104 104 GLN CB C 13 30.596 0.16 . 1 . . . . 104 Q CB . 17105 1 1132 . 1 1 104 104 GLN CG C 13 33.933 0.16 . 1 . . . . 104 Q CG . 17105 1 1133 . 1 1 104 104 GLN N N 15 117.819 0.13 . 1 . . . . 104 Q N . 17105 1 1134 . 1 1 104 104 GLN NE2 N 15 111.507 0.13 . 1 . . . . 104 Q NE2 . 17105 1 1135 . 1 1 105 105 ARG H H 1 8.461 0.003 . 1 . . . . 105 R H . 17105 1 1136 . 1 1 105 105 ARG HA H 1 4.595 0.003 . 1 . . . . 105 R HA . 17105 1 1137 . 1 1 105 105 ARG HB2 H 1 1.781 0.003 . 2 . . . . 105 R HB2 . 17105 1 1138 . 1 1 105 105 ARG HB3 H 1 1.647 0.003 . 2 . . . . 105 R HB3 . 17105 1 1139 . 1 1 105 105 ARG HD2 H 1 3.049 0.003 . 2 . . . . 105 R QD . 17105 1 1140 . 1 1 105 105 ARG HD3 H 1 3.049 0.003 . 2 . . . . 105 R QD . 17105 1 1141 . 1 1 105 105 ARG HG2 H 1 1.458 0.003 . 2 . . . . 105 R HG2 . 17105 1 1142 . 1 1 105 105 ARG HG3 H 1 1.527 0.003 . 2 . . . . 105 R HG3 . 17105 1 1143 . 1 1 105 105 ARG CA C 13 56.014 0.16 . 1 . . . . 105 R CA . 17105 1 1144 . 1 1 105 105 ARG CB C 13 31.776 0.16 . 1 . . . . 105 R CB . 17105 1 1145 . 1 1 105 105 ARG CD C 13 43.195 0.16 . 1 . . . . 105 R CD . 17105 1 1146 . 1 1 105 105 ARG CG C 13 27.288 0.16 . 1 . . . . 105 R CG . 17105 1 1147 . 1 1 105 105 ARG N N 15 121.603 0.13 . 1 . . . . 105 R N . 17105 1 1148 . 1 1 106 106 ARG H H 1 8.480 0.003 . 1 . . . . 106 R H . 17105 1 1149 . 1 1 106 106 ARG HA H 1 4.267 0.003 . 1 . . . . 106 R HA . 17105 1 1150 . 1 1 106 106 ARG HB2 H 1 1.645 0.003 . 2 . . . . 106 R QB . 17105 1 1151 . 1 1 106 106 ARG HB3 H 1 1.645 0.003 . 2 . . . . 106 R QB . 17105 1 1152 . 1 1 106 106 ARG HD2 H 1 2.859 0.003 . 2 . . . . 106 R QD . 17105 1 1153 . 1 1 106 106 ARG HD3 H 1 2.859 0.003 . 2 . . . . 106 R QD . 17105 1 1154 . 1 1 106 106 ARG HG2 H 1 1.420 0.003 . 2 . . . . 106 R QG . 17105 1 1155 . 1 1 106 106 ARG HG3 H 1 1.420 0.003 . 2 . . . . 106 R QG . 17105 1 1156 . 1 1 106 106 ARG CA C 13 56.137 0.16 . 1 . . . . 106 R CA . 17105 1 1157 . 1 1 106 106 ARG CB C 13 31.163 0.16 . 1 . . . . 106 R CB . 17105 1 1158 . 1 1 106 106 ARG CD C 13 43.283 0.16 . 1 . . . . 106 R CD . 17105 1 1159 . 1 1 106 106 ARG CG C 13 26.749 0.16 . 1 . . . . 106 R CG . 17105 1 1160 . 1 1 106 106 ARG N N 15 122.078 0.13 . 1 . . . . 106 R N . 17105 1 1161 . 1 1 107 107 GLU H H 1 8.300 0.003 . 1 . . . . 107 E H . 17105 1 1162 . 1 1 107 107 GLU HA H 1 4.134 0.003 . 1 . . . . 107 E HA . 17105 1 1163 . 1 1 107 107 GLU HB2 H 1 1.794 0.003 . 2 . . . . 107 E HB2 . 17105 1 1164 . 1 1 107 107 GLU HB3 H 1 1.722 0.003 . 2 . . . . 107 E HB3 . 17105 1 1165 . 1 1 107 107 GLU HG2 H 1 2.058 0.003 . 2 . . . . 107 E HG2 . 17105 1 1166 . 1 1 107 107 GLU HG3 H 1 1.994 0.003 . 2 . . . . 107 E HG3 . 17105 1 1167 . 1 1 107 107 GLU CA C 13 56.450 0.16 . 1 . . . . 107 E CA . 17105 1 1168 . 1 1 107 107 GLU CB C 13 30.855 0.16 . 1 . . . . 107 E CB . 17105 1 1169 . 1 1 107 107 GLU CG C 13 36.121 0.16 . 1 . . . . 107 E CG . 17105 1 1170 . 1 1 107 107 GLU N N 15 121.335 0.13 . 1 . . . . 107 E N . 17105 1 1171 . 1 1 108 108 TYR H H 1 7.922 0.003 . 1 . . . . 108 Y H . 17105 1 1172 . 1 1 108 108 TYR HA H 1 4.391 0.003 . 1 . . . . 108 Y HA . 17105 1 1173 . 1 1 108 108 TYR HB2 H 1 2.714 0.003 . 2 . . . . 108 Y HB2 . 17105 1 1174 . 1 1 108 108 TYR HB3 H 1 2.887 0.003 . 2 . . . . 108 Y HB3 . 17105 1 1175 . 1 1 108 108 TYR HD1 H 1 6.941 0.003 . 3 . . . . 108 Y QD . 17105 1 1176 . 1 1 108 108 TYR HD2 H 1 6.941 0.003 . 3 . . . . 108 Y QD . 17105 1 1177 . 1 1 108 108 TYR HE1 H 1 6.667 0.003 . 3 . . . . 108 Y QE . 17105 1 1178 . 1 1 108 108 TYR HE2 H 1 6.667 0.003 . 3 . . . . 108 Y QE . 17105 1 1179 . 1 1 108 108 TYR CA C 13 57.520 0.16 . 1 . . . . 108 Y CA . 17105 1 1180 . 1 1 108 108 TYR CB C 13 39.138 0.16 . 1 . . . . 108 Y CB . 17105 1 1181 . 1 1 108 108 TYR CD1 C 13 133.233 0.16 . 3 . . . . 108 Y CD1 . 17105 1 1182 . 1 1 108 108 TYR CE1 C 13 118.148 0.16 . 3 . . . . 108 Y CE1 . 17105 1 1183 . 1 1 108 108 TYR N N 15 119.901 0.13 . 1 . . . . 108 Y N . 17105 1 1184 . 1 1 109 109 PHE H H 1 7.572 0.003 . 1 . . . . 109 F H . 17105 1 1185 . 1 1 109 109 PHE HA H 1 4.273 0.003 . 1 . . . . 109 F HA . 17105 1 1186 . 1 1 109 109 PHE HB2 H 1 2.829 0.003 . 2 . . . . 109 F HB2 . 17105 1 1187 . 1 1 109 109 PHE HB3 H 1 3.026 0.003 . 2 . . . . 109 F HB3 . 17105 1 1188 . 1 1 109 109 PHE HD1 H 1 7.078 0.003 . 3 . . . . 109 F QD . 17105 1 1189 . 1 1 109 109 PHE HD2 H 1 7.078 0.003 . 3 . . . . 109 F QD . 17105 1 1190 . 1 1 109 109 PHE HE1 H 1 7.237 0.003 . 3 . . . . 109 F QE . 17105 1 1191 . 1 1 109 109 PHE HE2 H 1 7.237 0.003 . 3 . . . . 109 F QE . 17105 1 1192 . 1 1 109 109 PHE HZ H 1 6.848 0.003 . 1 . . . . 109 F HZ . 17105 1 1193 . 1 1 109 109 PHE CA C 13 59.058 0.16 . 1 . . . . 109 F CA . 17105 1 1194 . 1 1 109 109 PHE CB C 13 40.274 0.16 . 1 . . . . 109 F CB . 17105 1 1195 . 1 1 109 109 PHE CD1 C 13 131.982 0.16 . 3 . . . . 109 F CD1 . 17105 1 1196 . 1 1 109 109 PHE CE1 C 13 131.548 0.16 . 3 . . . . 109 F CE1 . 17105 1 1197 . 1 1 109 109 PHE CZ C 13 130.094 0.16 . 1 . . . . 109 F CZ . 17105 1 1198 . 1 1 109 109 PHE N N 15 125.874 0.13 . 1 . . . . 109 F N . 17105 1 stop_ save_