data_19012 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19012 _Entry.Title ; NMR structure of hypothetical protein BT_0846 from Bacteroides thetaiotaomicron VPI-5482 (NP_809759.1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-02-07 _Entry.Accession_date 2013-02-07 _Entry.Last_release_date 2013-03-21 _Entry.Original_release_date 2013-03-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details 'NMR structure of hypothetical protein BT_0846 from Bacteroides thetaiotaomicron VPI-5482 (NP_809759.1)' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Samit Dutta . K. . 19012 2 Pedro Serrano . . . 19012 3 Michael Geralt . . . 19012 4 Kurt Wuthrich . . . 19012 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 19012 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'human gut microbiome secreted protein' . 19012 'hypothetical protein' . 19012 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19012 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 329 19012 '15N chemical shifts' 103 19012 '1H chemical shifts' 669 19012 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 . . 2013-03-21 2013-02-07 original author . 19012 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19033 'SH3 domain of human RAS GAP 1' 19012 BMRB 19034 'third RNA Recognition Motif (RRM) of U2 small nuclear ribonucleoprotein auxiliary factor (U2AF) 2' 19012 PDB 2M4L 'BMRB Entry Tracking System' 19012 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19012 _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 hypothetical protein BT_0846 from Bacteroides thetaiotaomicron VPI-5482 (NP_809759.1)' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Samit Dutta . K. . 19012 1 2 Pedro Serrano . . . 19012 1 3 Michael Geralt . . . 19012 1 4 Kurt Wuthrich . . . 19012 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19012 _Assembly.ID 1 _Assembly.Name 'hypothetical protein BT_0846' _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 'hypothetical protein BT_0846' 1 $BT_0846 A . yes native no no . . . 19012 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BT_0846 _Entity.Sf_category entity _Entity.Sf_framecode BT_0846 _Entity.Entry_ID 19012 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BT_0846 _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 ; GEDWTELNSNNIIGYWSTGI EGTHKLLSFDEDGTGSFGIY SNATPISFQMFDYKIEEGRI YIYDVYPDEKTPYYLDCKIS GTTLKVETGSEAGTYKKQK ; _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 99 _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 11242.420 _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 2M4L . "Nmr Structure Of The Protein Bt_0846 From Bacteroides Thetaiotaomicron Vpi-5482 (np_809759.1)" . . . . . 100.00 99 100.00 100.00 3.04e-64 . . . . 19012 1 2 no EMBL CUO58639 . "Uncharacterised protein [Bacteroides thetaiotaomicron]" . . . . . 98.99 119 98.98 100.00 3.36e-63 . . . . 19012 1 3 no GB AAO75953 . "hypothetical protein BT_0846 [Bacteroides thetaiotaomicron VPI-5482]" . . . . . 98.99 119 100.00 100.00 8.89e-64 . . . . 19012 1 4 no GB ALJ42023 . "hypothetical protein Btheta7330_02475 [Bacteroides thetaiotaomicron]" . . . . . 98.99 119 100.00 100.00 8.89e-64 . . . . 19012 1 5 no REF NP_809759 . "hypothetical protein BT_0846 [Bacteroides thetaiotaomicron VPI-5482]" . . . . . 98.99 119 100.00 100.00 8.89e-64 . . . . 19012 1 6 no REF WP_011107485 . "hypothetical protein [Bacteroides thetaiotaomicron]" . . . . . 98.99 119 100.00 100.00 8.89e-64 . . . . 19012 1 7 no REF WP_055268830 . "hypothetical protein [Bacteroides thetaiotaomicron]" . . . . . 98.99 119 98.98 100.00 3.36e-63 . . . . 19012 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 19012 1 2 2 GLU . 19012 1 3 3 ASP . 19012 1 4 4 TRP . 19012 1 5 5 THR . 19012 1 6 6 GLU . 19012 1 7 7 LEU . 19012 1 8 8 ASN . 19012 1 9 9 SER . 19012 1 10 10 ASN . 19012 1 11 11 ASN . 19012 1 12 12 ILE . 19012 1 13 13 ILE . 19012 1 14 14 GLY . 19012 1 15 15 TYR . 19012 1 16 16 TRP . 19012 1 17 17 SER . 19012 1 18 18 THR . 19012 1 19 19 GLY . 19012 1 20 20 ILE . 19012 1 21 21 GLU . 19012 1 22 22 GLY . 19012 1 23 23 THR . 19012 1 24 24 HIS . 19012 1 25 25 LYS . 19012 1 26 26 LEU . 19012 1 27 27 LEU . 19012 1 28 28 SER . 19012 1 29 29 PHE . 19012 1 30 30 ASP . 19012 1 31 31 GLU . 19012 1 32 32 ASP . 19012 1 33 33 GLY . 19012 1 34 34 THR . 19012 1 35 35 GLY . 19012 1 36 36 SER . 19012 1 37 37 PHE . 19012 1 38 38 GLY . 19012 1 39 39 ILE . 19012 1 40 40 TYR . 19012 1 41 41 SER . 19012 1 42 42 ASN . 19012 1 43 43 ALA . 19012 1 44 44 THR . 19012 1 45 45 PRO . 19012 1 46 46 ILE . 19012 1 47 47 SER . 19012 1 48 48 PHE . 19012 1 49 49 GLN . 19012 1 50 50 MET . 19012 1 51 51 PHE . 19012 1 52 52 ASP . 19012 1 53 53 TYR . 19012 1 54 54 LYS . 19012 1 55 55 ILE . 19012 1 56 56 GLU . 19012 1 57 57 GLU . 19012 1 58 58 GLY . 19012 1 59 59 ARG . 19012 1 60 60 ILE . 19012 1 61 61 TYR . 19012 1 62 62 ILE . 19012 1 63 63 TYR . 19012 1 64 64 ASP . 19012 1 65 65 VAL . 19012 1 66 66 TYR . 19012 1 67 67 PRO . 19012 1 68 68 ASP . 19012 1 69 69 GLU . 19012 1 70 70 LYS . 19012 1 71 71 THR . 19012 1 72 72 PRO . 19012 1 73 73 TYR . 19012 1 74 74 TYR . 19012 1 75 75 LEU . 19012 1 76 76 ASP . 19012 1 77 77 CYS . 19012 1 78 78 LYS . 19012 1 79 79 ILE . 19012 1 80 80 SER . 19012 1 81 81 GLY . 19012 1 82 82 THR . 19012 1 83 83 THR . 19012 1 84 84 LEU . 19012 1 85 85 LYS . 19012 1 86 86 VAL . 19012 1 87 87 GLU . 19012 1 88 88 THR . 19012 1 89 89 GLY . 19012 1 90 90 SER . 19012 1 91 91 GLU . 19012 1 92 92 ALA . 19012 1 93 93 GLY . 19012 1 94 94 THR . 19012 1 95 95 TYR . 19012 1 96 96 LYS . 19012 1 97 97 LYS . 19012 1 98 98 GLN . 19012 1 99 99 LYS . 19012 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 19012 1 . GLU 2 2 19012 1 . ASP 3 3 19012 1 . TRP 4 4 19012 1 . THR 5 5 19012 1 . GLU 6 6 19012 1 . LEU 7 7 19012 1 . ASN 8 8 19012 1 . SER 9 9 19012 1 . ASN 10 10 19012 1 . ASN 11 11 19012 1 . ILE 12 12 19012 1 . ILE 13 13 19012 1 . GLY 14 14 19012 1 . TYR 15 15 19012 1 . TRP 16 16 19012 1 . SER 17 17 19012 1 . THR 18 18 19012 1 . GLY 19 19 19012 1 . ILE 20 20 19012 1 . GLU 21 21 19012 1 . GLY 22 22 19012 1 . THR 23 23 19012 1 . HIS 24 24 19012 1 . LYS 25 25 19012 1 . LEU 26 26 19012 1 . LEU 27 27 19012 1 . SER 28 28 19012 1 . PHE 29 29 19012 1 . ASP 30 30 19012 1 . GLU 31 31 19012 1 . ASP 32 32 19012 1 . GLY 33 33 19012 1 . THR 34 34 19012 1 . GLY 35 35 19012 1 . SER 36 36 19012 1 . PHE 37 37 19012 1 . GLY 38 38 19012 1 . ILE 39 39 19012 1 . TYR 40 40 19012 1 . SER 41 41 19012 1 . ASN 42 42 19012 1 . ALA 43 43 19012 1 . THR 44 44 19012 1 . PRO 45 45 19012 1 . ILE 46 46 19012 1 . SER 47 47 19012 1 . PHE 48 48 19012 1 . GLN 49 49 19012 1 . MET 50 50 19012 1 . PHE 51 51 19012 1 . ASP 52 52 19012 1 . TYR 53 53 19012 1 . LYS 54 54 19012 1 . ILE 55 55 19012 1 . GLU 56 56 19012 1 . GLU 57 57 19012 1 . GLY 58 58 19012 1 . ARG 59 59 19012 1 . ILE 60 60 19012 1 . TYR 61 61 19012 1 . ILE 62 62 19012 1 . TYR 63 63 19012 1 . ASP 64 64 19012 1 . VAL 65 65 19012 1 . TYR 66 66 19012 1 . PRO 67 67 19012 1 . ASP 68 68 19012 1 . GLU 69 69 19012 1 . LYS 70 70 19012 1 . THR 71 71 19012 1 . PRO 72 72 19012 1 . TYR 73 73 19012 1 . TYR 74 74 19012 1 . LEU 75 75 19012 1 . ASP 76 76 19012 1 . CYS 77 77 19012 1 . LYS 78 78 19012 1 . ILE 79 79 19012 1 . SER 80 80 19012 1 . GLY 81 81 19012 1 . THR 82 82 19012 1 . THR 83 83 19012 1 . LEU 84 84 19012 1 . LYS 85 85 19012 1 . VAL 86 86 19012 1 . GLU 87 87 19012 1 . THR 88 88 19012 1 . GLY 89 89 19012 1 . SER 90 90 19012 1 . GLU 91 91 19012 1 . ALA 92 92 19012 1 . GLY 93 93 19012 1 . THR 94 94 19012 1 . TYR 95 95 19012 1 . LYS 96 96 19012 1 . LYS 97 97 19012 1 . GLN 98 98 19012 1 . LYS 99 99 19012 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 19012 _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 $BT_0846 . 818 organism . 'Bacteroides thetaiotaomicron VPI-5482' 'CFB group bacteria' . . Bacteria . Bacteroides . . . . . . . . . . . . . . . . . . . . . . 19012 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 19012 _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 $BT_0846 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Bl21 . . . . . . . . . . . . . . . SpeedET . . . . . . 19012 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19012 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BT_0846 '[U-99% 13C; U-99% 15N]' . . 1 $BT_0846 . . 1.2 . . mM . . . . 19012 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19012 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19012 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 19012 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19012 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19012 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 19012 _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' 0.798 . M 19012 1 pH 6.0 . pH 19012 1 pressure 1 . atm 19012 1 temperature 298 . K 19012 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19012 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19012 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19012 1 processing 19012 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19012 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19012 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19012 2 'data analysis' 19012 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19012 _Software.ID 3 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19012 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19012 3 stop_ save_ save_jUNIO _Software.Sf_category software _Software.Sf_framecode jUNIO _Software.Entry_ID 19012 _Software.ID 4 _Software.Name jUNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 19012 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19012 4 'peak picking' 19012 4 'structure solution' 19012 4 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 19012 _Software.ID 5 _Software.Name OPAL _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 19012 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19012 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 19012 _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 19012 _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 19012 _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 . . . 19012 1 2 spectrometer_2 Bruker Avance . 800 . . . 19012 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 19012 _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 4D-HACANH-APSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19012 1 2 5D-HACACONH-APSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19012 1 3 5D-CBCACONH-APSY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19012 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19012 1 5 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19012 1 6 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19012 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19012 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 19012 _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 . . . . . . . . . 19012 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19012 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19012 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 19012 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 19012 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.006 _Assigned_chem_shift_list.Chem_shift_13C_err 0.162 _Assigned_chem_shift_list.Chem_shift_15N_err 0.121 _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 4D-HACANH-APSY . . . 19012 1 2 5D-HACACONH-APSY . . . 19012 1 3 5D-CBCACONH-APSY . . . 19012 1 5 '3D 1H-13C NOESY aliphatic' . . . 19012 1 6 '2D 1H-13C HSQC aromatic' . . . 19012 1 7 '3D 1H-15N NOESY' . . . 19012 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.744 0.006 . 2 . . . A 1 GLY QA . 19012 1 2 . 1 1 1 1 GLY HA3 H 1 3.744 0.006 . 2 . . . A 1 GLY QA . 19012 1 3 . 1 1 1 1 GLY CA C 13 40.808 0.162 . 1 . . . A 1 GLY CA . 19012 1 4 . 1 1 2 2 GLU H H 1 8.212 0.006 . 1 . . . A 2 GLU H . 19012 1 5 . 1 1 2 2 GLU HA H 1 4.009 0.006 . 1 . . . A 2 GLU HA . 19012 1 6 . 1 1 2 2 GLU HB2 H 1 1.332 0.006 . 2 . . . A 2 GLU HB2 . 19012 1 7 . 1 1 2 2 GLU HB3 H 1 1.353 0.006 . 2 . . . A 2 GLU HB3 . 19012 1 8 . 1 1 2 2 GLU CA C 13 53.190 0.162 . 1 . . . A 2 GLU CA . 19012 1 9 . 1 1 2 2 GLU CB C 13 27.574 0.162 . 1 . . . A 2 GLU CB . 19012 1 10 . 1 1 2 2 GLU N N 15 119.968 0.121 . 1 . . . A 2 GLU N . 19012 1 11 . 1 1 3 3 ASP H H 1 8.209 0.006 . 1 . . . A 3 ASP H . 19012 1 12 . 1 1 3 3 ASP HA H 1 4.509 0.006 . 1 . . . A 3 ASP HA . 19012 1 13 . 1 1 3 3 ASP HB2 H 1 2.516 0.006 . 2 . . . A 3 ASP HB2 . 19012 1 14 . 1 1 3 3 ASP HB3 H 1 2.371 0.006 . 2 . . . A 3 ASP HB3 . 19012 1 15 . 1 1 3 3 ASP CA C 13 50.691 0.162 . 1 . . . A 3 ASP CA . 19012 1 16 . 1 1 3 3 ASP CB C 13 38.121 0.162 . 1 . . . A 3 ASP CB . 19012 1 17 . 1 1 3 3 ASP N N 15 122.057 0.121 . 1 . . . A 3 ASP N . 19012 1 18 . 1 1 4 4 TRP H H 1 7.614 0.006 . 1 . . . A 4 TRP H . 19012 1 19 . 1 1 4 4 TRP HA H 1 4.749 0.006 . 1 . . . A 4 TRP HA . 19012 1 20 . 1 1 4 4 TRP HB2 H 1 3.336 0.006 . 2 . . . A 4 TRP HB2 . 19012 1 21 . 1 1 4 4 TRP HB3 H 1 2.983 0.006 . 2 . . . A 4 TRP HB3 . 19012 1 22 . 1 1 4 4 TRP HD1 H 1 7.264 0.006 . 1 . . . A 4 TRP HD1 . 19012 1 23 . 1 1 4 4 TRP HE1 H 1 10.080 0.006 . 1 . . . A 4 TRP HE1 . 19012 1 24 . 1 1 4 4 TRP HE3 H 1 7.281 0.006 . 1 . . . A 4 TRP HE3 . 19012 1 25 . 1 1 4 4 TRP HZ2 H 1 7.387 0.006 . 1 . . . A 4 TRP HZ2 . 19012 1 26 . 1 1 4 4 TRP HZ3 H 1 6.713 0.006 . 1 . . . A 4 TRP HZ3 . 19012 1 27 . 1 1 4 4 TRP HH2 H 1 6.966 0.006 . 1 . . . A 4 TRP HH2 . 19012 1 28 . 1 1 4 4 TRP CA C 13 53.792 0.162 . 1 . . . A 4 TRP CA . 19012 1 29 . 1 1 4 4 TRP CB C 13 27.994 0.162 . 1 . . . A 4 TRP CB . 19012 1 30 . 1 1 4 4 TRP CD1 C 13 125.937 0.162 . 1 . . . A 4 TRP CD1 . 19012 1 31 . 1 1 4 4 TRP CE3 C 13 119.044 0.162 . 1 . . . A 4 TRP CE3 . 19012 1 32 . 1 1 4 4 TRP CZ2 C 13 112.069 0.162 . 1 . . . A 4 TRP CZ2 . 19012 1 33 . 1 1 4 4 TRP CZ3 C 13 119.054 0.162 . 1 . . . A 4 TRP CZ3 . 19012 1 34 . 1 1 4 4 TRP CH2 C 13 121.731 0.162 . 1 . . . A 4 TRP CH2 . 19012 1 35 . 1 1 4 4 TRP N N 15 121.397 0.121 . 1 . . . A 4 TRP N . 19012 1 36 . 1 1 4 4 TRP NE1 N 15 129.070 0.121 . 1 . . . A 4 TRP NE1 . 19012 1 37 . 1 1 5 5 THR H H 1 9.387 0.006 . 1 . . . A 5 THR H . 19012 1 38 . 1 1 5 5 THR HA H 1 4.733 0.006 . 1 . . . A 5 THR HA . 19012 1 39 . 1 1 5 5 THR HB H 1 4.127 0.006 . 1 . . . A 5 THR HB . 19012 1 40 . 1 1 5 5 THR HG21 H 1 1.129 0.006 . 1 . . . A 5 THR QG2 . 19012 1 41 . 1 1 5 5 THR HG22 H 1 1.129 0.006 . 1 . . . A 5 THR QG2 . 19012 1 42 . 1 1 5 5 THR HG23 H 1 1.129 0.006 . 1 . . . A 5 THR QG2 . 19012 1 43 . 1 1 5 5 THR CA C 13 57.170 0.162 . 1 . . . A 5 THR CA . 19012 1 44 . 1 1 5 5 THR CB C 13 68.444 0.162 . 1 . . . A 5 THR CB . 19012 1 45 . 1 1 5 5 THR CG2 C 13 17.426 0.162 . 1 . . . A 5 THR CG2 . 19012 1 46 . 1 1 5 5 THR N N 15 117.669 0.121 . 1 . . . A 5 THR N . 19012 1 47 . 1 1 6 6 GLU H H 1 8.027 0.006 . 1 . . . A 6 GLU H . 19012 1 48 . 1 1 6 6 GLU HA H 1 4.283 0.006 . 1 . . . A 6 GLU HA . 19012 1 49 . 1 1 6 6 GLU HB2 H 1 1.931 0.006 . 2 . . . A 6 GLU QB . 19012 1 50 . 1 1 6 6 GLU HB3 H 1 1.931 0.006 . 2 . . . A 6 GLU QB . 19012 1 51 . 1 1 6 6 GLU HG2 H 1 2.265 0.006 . 2 . . . A 6 GLU QG . 19012 1 52 . 1 1 6 6 GLU HG3 H 1 2.265 0.006 . 2 . . . A 6 GLU QG . 19012 1 53 . 1 1 6 6 GLU CA C 13 53.743 0.162 . 1 . . . A 6 GLU CA . 19012 1 54 . 1 1 6 6 GLU CB C 13 28.184 0.162 . 1 . . . A 6 GLU CB . 19012 1 55 . 1 1 6 6 GLU CG C 13 33.885 0.162 . 1 . . . A 6 GLU CG . 19012 1 56 . 1 1 6 6 GLU N N 15 121.359 0.121 . 1 . . . A 6 GLU N . 19012 1 57 . 1 1 7 7 LEU H H 1 8.626 0.006 . 1 . . . A 7 LEU H . 19012 1 58 . 1 1 7 7 LEU HA H 1 4.217 0.006 . 1 . . . A 7 LEU HA . 19012 1 59 . 1 1 7 7 LEU HB2 H 1 1.282 0.006 . 2 . . . A 7 LEU HB2 . 19012 1 60 . 1 1 7 7 LEU HB3 H 1 1.373 0.006 . 2 . . . A 7 LEU HB3 . 19012 1 61 . 1 1 7 7 LEU HG H 1 1.274 0.006 . 1 . . . A 7 LEU HG . 19012 1 62 . 1 1 7 7 LEU HD11 H 1 0.397 0.006 . 2 . . . A 7 LEU QD1 . 19012 1 63 . 1 1 7 7 LEU HD12 H 1 0.397 0.006 . 2 . . . A 7 LEU QD1 . 19012 1 64 . 1 1 7 7 LEU HD13 H 1 0.397 0.006 . 2 . . . A 7 LEU QD1 . 19012 1 65 . 1 1 7 7 LEU HD21 H 1 0.533 0.006 . 2 . . . A 7 LEU QD2 . 19012 1 66 . 1 1 7 7 LEU HD22 H 1 0.533 0.006 . 2 . . . A 7 LEU QD2 . 19012 1 67 . 1 1 7 7 LEU HD23 H 1 0.533 0.006 . 2 . . . A 7 LEU QD2 . 19012 1 68 . 1 1 7 7 LEU CA C 13 52.720 0.162 . 1 . . . A 7 LEU CA . 19012 1 69 . 1 1 7 7 LEU CB C 13 40.595 0.162 . 1 . . . A 7 LEU CB . 19012 1 70 . 1 1 7 7 LEU CG C 13 25.025 0.162 . 1 . . . A 7 LEU CG . 19012 1 71 . 1 1 7 7 LEU CD1 C 13 23.335 0.162 . 2 . . . A 7 LEU CD1 . 19012 1 72 . 1 1 7 7 LEU CD2 C 13 22.423 0.162 . 2 . . . A 7 LEU CD2 . 19012 1 73 . 1 1 7 7 LEU N N 15 126.701 0.121 . 1 . . . A 7 LEU N . 19012 1 74 . 1 1 8 8 ASN H H 1 9.218 0.006 . 1 . . . A 8 ASN H . 19012 1 75 . 1 1 8 8 ASN HA H 1 4.611 0.006 . 1 . . . A 8 ASN HA . 19012 1 76 . 1 1 8 8 ASN HB2 H 1 3.095 0.006 . 2 . . . A 8 ASN HB2 . 19012 1 77 . 1 1 8 8 ASN HB3 H 1 2.768 0.006 . 2 . . . A 8 ASN HB3 . 19012 1 78 . 1 1 8 8 ASN HD21 H 1 7.654 0.006 . 1 . . . A 8 ASN HD21 . 19012 1 79 . 1 1 8 8 ASN HD22 H 1 6.865 0.006 . 1 . . . A 8 ASN HD22 . 19012 1 80 . 1 1 8 8 ASN CA C 13 49.652 0.162 . 1 . . . A 8 ASN CA . 19012 1 81 . 1 1 8 8 ASN CB C 13 38.102 0.162 . 1 . . . A 8 ASN CB . 19012 1 82 . 1 1 8 8 ASN N N 15 121.528 0.121 . 1 . . . A 8 ASN N . 19012 1 83 . 1 1 8 8 ASN ND2 N 15 116.565 0.121 . 1 . . . A 8 ASN ND2 . 19012 1 84 . 1 1 9 9 SER H H 1 8.268 0.006 . 1 . . . A 9 SER H . 19012 1 85 . 1 1 9 9 SER HA H 1 4.045 0.006 . 1 . . . A 9 SER HA . 19012 1 86 . 1 1 9 9 SER HB2 H 1 3.869 0.006 . 2 . . . A 9 SER HB2 . 19012 1 87 . 1 1 9 9 SER HB3 H 1 3.929 0.006 . 2 . . . A 9 SER HB3 . 19012 1 88 . 1 1 9 9 SER CA C 13 58.381 0.162 . 1 . . . A 9 SER CA . 19012 1 89 . 1 1 9 9 SER CB C 13 60.521 0.162 . 1 . . . A 9 SER CB . 19012 1 90 . 1 1 9 9 SER N N 15 109.319 0.121 . 1 . . . A 9 SER N . 19012 1 91 . 1 1 10 10 ASN H H 1 8.610 0.006 . 1 . . . A 10 ASN H . 19012 1 92 . 1 1 10 10 ASN HA H 1 4.872 0.006 . 1 . . . A 10 ASN HA . 19012 1 93 . 1 1 10 10 ASN HB2 H 1 2.714 0.006 . 2 . . . A 10 ASN QB . 19012 1 94 . 1 1 10 10 ASN HB3 H 1 2.714 0.006 . 2 . . . A 10 ASN QB . 19012 1 95 . 1 1 10 10 ASN HD21 H 1 7.538 0.006 . 1 . . . A 10 ASN HD21 . 19012 1 96 . 1 1 10 10 ASN HD22 H 1 6.902 0.006 . 1 . . . A 10 ASN HD22 . 19012 1 97 . 1 1 10 10 ASN CA C 13 52.508 0.162 . 1 . . . A 10 ASN CA . 19012 1 98 . 1 1 10 10 ASN CB C 13 37.905 0.162 . 1 . . . A 10 ASN CB . 19012 1 99 . 1 1 10 10 ASN N N 15 117.403 0.121 . 1 . . . A 10 ASN N . 19012 1 100 . 1 1 10 10 ASN ND2 N 15 113.206 0.121 . 1 . . . A 10 ASN ND2 . 19012 1 101 . 1 1 11 11 ASN H H 1 8.614 0.006 . 1 . . . A 11 ASN H . 19012 1 102 . 1 1 11 11 ASN HA H 1 4.396 0.006 . 1 . . . A 11 ASN HA . 19012 1 103 . 1 1 11 11 ASN HB2 H 1 3.051 0.006 . 2 . . . A 11 ASN HB2 . 19012 1 104 . 1 1 11 11 ASN HB3 H 1 2.810 0.006 . 2 . . . A 11 ASN HB3 . 19012 1 105 . 1 1 11 11 ASN HD21 H 1 6.886 0.006 . 1 . . . A 11 ASN HD21 . 19012 1 106 . 1 1 11 11 ASN HD22 H 1 7.130 0.006 . 1 . . . A 11 ASN HD22 . 19012 1 107 . 1 1 11 11 ASN CA C 13 51.832 0.162 . 1 . . . A 11 ASN CA . 19012 1 108 . 1 1 11 11 ASN CB C 13 34.355 0.162 . 1 . . . A 11 ASN CB . 19012 1 109 . 1 1 11 11 ASN N N 15 119.053 0.121 . 1 . . . A 11 ASN N . 19012 1 110 . 1 1 11 11 ASN ND2 N 15 107.374 0.121 . 1 . . . A 11 ASN ND2 . 19012 1 111 . 1 1 12 12 ILE H H 1 7.041 0.006 . 1 . . . A 12 ILE H . 19012 1 112 . 1 1 12 12 ILE HA H 1 4.185 0.006 . 1 . . . A 12 ILE HA . 19012 1 113 . 1 1 12 12 ILE HB H 1 1.466 0.006 . 1 . . . A 12 ILE HB . 19012 1 114 . 1 1 12 12 ILE HG12 H 1 0.287 0.006 . 2 . . . A 12 ILE HG12 . 19012 1 115 . 1 1 12 12 ILE HG13 H 1 0.153 0.006 . 2 . . . A 12 ILE HG13 . 19012 1 116 . 1 1 12 12 ILE HG21 H 1 0.640 0.006 . 1 . . . A 12 ILE QG2 . 19012 1 117 . 1 1 12 12 ILE HG22 H 1 0.640 0.006 . 1 . . . A 12 ILE QG2 . 19012 1 118 . 1 1 12 12 ILE HG23 H 1 0.640 0.006 . 1 . . . A 12 ILE QG2 . 19012 1 119 . 1 1 12 12 ILE HD11 H 1 -0.155 0.006 . 1 . . . A 12 ILE QD1 . 19012 1 120 . 1 1 12 12 ILE HD12 H 1 -0.155 0.006 . 1 . . . A 12 ILE QD1 . 19012 1 121 . 1 1 12 12 ILE HD13 H 1 -0.155 0.006 . 1 . . . A 12 ILE QD1 . 19012 1 122 . 1 1 12 12 ILE CA C 13 55.309 0.162 . 1 . . . A 12 ILE CA . 19012 1 123 . 1 1 12 12 ILE CB C 13 36.651 0.162 . 1 . . . A 12 ILE CB . 19012 1 124 . 1 1 12 12 ILE CG1 C 13 25.699 0.162 . 1 . . . A 12 ILE CG1 . 19012 1 125 . 1 1 12 12 ILE CG2 C 13 16.365 0.162 . 1 . . . A 12 ILE CG2 . 19012 1 126 . 1 1 12 12 ILE CD1 C 13 11.938 0.162 . 1 . . . A 12 ILE CD1 . 19012 1 127 . 1 1 12 12 ILE N N 15 117.943 0.121 . 1 . . . A 12 ILE N . 19012 1 128 . 1 1 13 13 ILE H H 1 6.635 0.006 . 1 . . . A 13 ILE H . 19012 1 129 . 1 1 13 13 ILE HA H 1 3.800 0.006 . 1 . . . A 13 ILE HA . 19012 1 130 . 1 1 13 13 ILE HB H 1 1.885 0.006 . 1 . . . A 13 ILE HB . 19012 1 131 . 1 1 13 13 ILE HG12 H 1 1.253 0.006 . 2 . . . A 13 ILE HG12 . 19012 1 132 . 1 1 13 13 ILE HG13 H 1 1.724 0.006 . 2 . . . A 13 ILE HG13 . 19012 1 133 . 1 1 13 13 ILE HG21 H 1 1.025 0.006 . 1 . . . A 13 ILE QG2 . 19012 1 134 . 1 1 13 13 ILE HG22 H 1 1.025 0.006 . 1 . . . A 13 ILE QG2 . 19012 1 135 . 1 1 13 13 ILE HG23 H 1 1.025 0.006 . 1 . . . A 13 ILE QG2 . 19012 1 136 . 1 1 13 13 ILE HD11 H 1 0.910 0.006 . 1 . . . A 13 ILE QD1 . 19012 1 137 . 1 1 13 13 ILE HD12 H 1 0.910 0.006 . 1 . . . A 13 ILE QD1 . 19012 1 138 . 1 1 13 13 ILE HD13 H 1 0.910 0.006 . 1 . . . A 13 ILE QD1 . 19012 1 139 . 1 1 13 13 ILE CA C 13 58.469 0.162 . 1 . . . A 13 ILE CA . 19012 1 140 . 1 1 13 13 ILE CB C 13 34.584 0.162 . 1 . . . A 13 ILE CB . 19012 1 141 . 1 1 13 13 ILE CG1 C 13 25.636 0.162 . 1 . . . A 13 ILE CG1 . 19012 1 142 . 1 1 13 13 ILE CG2 C 13 14.946 0.162 . 1 . . . A 13 ILE CG2 . 19012 1 143 . 1 1 13 13 ILE CD1 C 13 9.697 0.162 . 1 . . . A 13 ILE CD1 . 19012 1 144 . 1 1 13 13 ILE N N 15 118.354 0.121 . 1 . . . A 13 ILE N . 19012 1 145 . 1 1 14 14 GLY H H 1 8.842 0.006 . 1 . . . A 14 GLY H . 19012 1 146 . 1 1 14 14 GLY HA2 H 1 3.719 0.006 . 2 . . . A 14 GLY HA2 . 19012 1 147 . 1 1 14 14 GLY HA3 H 1 4.233 0.006 . 2 . . . A 14 GLY HA3 . 19012 1 148 . 1 1 14 14 GLY CA C 13 41.496 0.162 . 1 . . . A 14 GLY CA . 19012 1 149 . 1 1 14 14 GLY N N 15 114.150 0.121 . 1 . . . A 14 GLY N . 19012 1 150 . 1 1 15 15 TYR H H 1 8.264 0.006 . 1 . . . A 15 TYR H . 19012 1 151 . 1 1 15 15 TYR HA H 1 4.961 0.006 . 1 . . . A 15 TYR HA . 19012 1 152 . 1 1 15 15 TYR HB2 H 1 2.775 0.006 . 2 . . . A 15 TYR QB . 19012 1 153 . 1 1 15 15 TYR HB3 H 1 2.775 0.006 . 2 . . . A 15 TYR QB . 19012 1 154 . 1 1 15 15 TYR HD1 H 1 7.037 0.006 . 3 . . . A 15 TYR QD . 19012 1 155 . 1 1 15 15 TYR HD2 H 1 7.037 0.006 . 3 . . . A 15 TYR QD . 19012 1 156 . 1 1 15 15 TYR HE1 H 1 6.769 0.006 . 3 . . . A 15 TYR QE . 19012 1 157 . 1 1 15 15 TYR HE2 H 1 6.769 0.006 . 3 . . . A 15 TYR QE . 19012 1 158 . 1 1 15 15 TYR CA C 13 54.499 0.162 . 1 . . . A 15 TYR CA . 19012 1 159 . 1 1 15 15 TYR CB C 13 38.075 0.162 . 1 . . . A 15 TYR CB . 19012 1 160 . 1 1 15 15 TYR CD1 C 13 130.346 0.162 . 3 . . . A 15 TYR CD1 . 19012 1 161 . 1 1 15 15 TYR CD2 C 13 130.346 0.162 . 3 . . . A 15 TYR CD2 . 19012 1 162 . 1 1 15 15 TYR CE1 C 13 115.917 0.162 . 3 . . . A 15 TYR CE1 . 19012 1 163 . 1 1 15 15 TYR N N 15 119.014 0.121 . 1 . . . A 15 TYR N . 19012 1 164 . 1 1 16 16 TRP H H 1 9.497 0.006 . 1 . . . A 16 TRP H . 19012 1 165 . 1 1 16 16 TRP HA H 1 5.175 0.006 . 1 . . . A 16 TRP HA . 19012 1 166 . 1 1 16 16 TRP HB2 H 1 3.107 0.006 . 2 . . . A 16 TRP HB2 . 19012 1 167 . 1 1 16 16 TRP HB3 H 1 3.224 0.006 . 2 . . . A 16 TRP HB3 . 19012 1 168 . 1 1 16 16 TRP HD1 H 1 7.083 0.006 . 1 . . . A 16 TRP HD1 . 19012 1 169 . 1 1 16 16 TRP HE1 H 1 9.899 0.006 . 1 . . . A 16 TRP HE1 . 19012 1 170 . 1 1 16 16 TRP HE3 H 1 7.036 0.006 . 1 . . . A 16 TRP HE3 . 19012 1 171 . 1 1 16 16 TRP HZ2 H 1 7.517 0.006 . 1 . . . A 16 TRP HZ2 . 19012 1 172 . 1 1 16 16 TRP HZ3 H 1 6.698 0.006 . 1 . . . A 16 TRP HZ3 . 19012 1 173 . 1 1 16 16 TRP HH2 H 1 6.998 0.006 . 1 . . . A 16 TRP HH2 . 19012 1 174 . 1 1 16 16 TRP CA C 13 52.970 0.162 . 1 . . . A 16 TRP CA . 19012 1 175 . 1 1 16 16 TRP CB C 13 28.341 0.162 . 1 . . . A 16 TRP CB . 19012 1 176 . 1 1 16 16 TRP CD1 C 13 125.600 0.162 . 1 . . . A 16 TRP CD1 . 19012 1 177 . 1 1 16 16 TRP CE3 C 13 116.970 0.162 . 1 . . . A 16 TRP CE3 . 19012 1 178 . 1 1 16 16 TRP CZ2 C 13 111.977 0.162 . 1 . . . A 16 TRP CZ2 . 19012 1 179 . 1 1 16 16 TRP CZ3 C 13 120.427 0.162 . 1 . . . A 16 TRP CZ3 . 19012 1 180 . 1 1 16 16 TRP CH2 C 13 121.564 0.162 . 1 . . . A 16 TRP CH2 . 19012 1 181 . 1 1 16 16 TRP N N 15 124.101 0.121 . 1 . . . A 16 TRP N . 19012 1 182 . 1 1 16 16 TRP NE1 N 15 127.851 0.121 . 1 . . . A 16 TRP NE1 . 19012 1 183 . 1 1 17 17 SER H H 1 9.182 0.006 . 1 . . . A 17 SER H . 19012 1 184 . 1 1 17 17 SER HA H 1 6.272 0.006 . 1 . . . A 17 SER HA . 19012 1 185 . 1 1 17 17 SER HB2 H 1 3.837 0.006 . 2 . . . A 17 SER QB . 19012 1 186 . 1 1 17 17 SER HB3 H 1 3.837 0.006 . 2 . . . A 17 SER QB . 19012 1 187 . 1 1 17 17 SER CA C 13 53.039 0.162 . 1 . . . A 17 SER CA . 19012 1 188 . 1 1 17 17 SER CB C 13 63.415 0.162 . 1 . . . A 17 SER CB . 19012 1 189 . 1 1 17 17 SER N N 15 115.863 0.121 . 1 . . . A 17 SER N . 19012 1 190 . 1 1 18 18 THR H H 1 8.996 0.006 . 1 . . . A 18 THR H . 19012 1 191 . 1 1 18 18 THR HB H 1 4.491 0.006 . 1 . . . A 18 THR HB . 19012 1 192 . 1 1 18 18 THR HG21 H 1 0.397 0.006 . 1 . . . A 18 THR QG2 . 19012 1 193 . 1 1 18 18 THR HG22 H 1 0.397 0.006 . 1 . . . A 18 THR QG2 . 19012 1 194 . 1 1 18 18 THR HG23 H 1 0.397 0.006 . 1 . . . A 18 THR QG2 . 19012 1 195 . 1 1 18 18 THR CB C 13 67.199 0.162 . 1 . . . A 18 THR CB . 19012 1 196 . 1 1 18 18 THR CG2 C 13 17.202 0.162 . 1 . . . A 18 THR CG2 . 19012 1 197 . 1 1 18 18 THR N N 15 119.520 0.121 . 1 . . . A 18 THR N . 19012 1 198 . 1 1 19 19 GLY H H 1 8.206 0.006 . 1 . . . A 19 GLY H . 19012 1 199 . 1 1 19 19 GLY HA2 H 1 3.842 0.006 . 2 . . . A 19 GLY HA2 . 19012 1 200 . 1 1 19 19 GLY HA3 H 1 4.413 0.006 . 2 . . . A 19 GLY HA3 . 19012 1 201 . 1 1 19 19 GLY CA C 13 42.615 0.162 . 1 . . . A 19 GLY CA . 19012 1 202 . 1 1 19 19 GLY N N 15 110.006 0.121 . 1 . . . A 19 GLY N . 19012 1 203 . 1 1 20 20 ILE H H 1 7.953 0.006 . 1 . . . A 20 ILE H . 19012 1 204 . 1 1 20 20 ILE HA H 1 3.519 0.006 . 1 . . . A 20 ILE HA . 19012 1 205 . 1 1 20 20 ILE HB H 1 1.667 0.006 . 1 . . . A 20 ILE HB . 19012 1 206 . 1 1 20 20 ILE HG12 H 1 1.114 0.006 . 2 . . . A 20 ILE HG12 . 19012 1 207 . 1 1 20 20 ILE HG13 H 1 0.917 0.006 . 2 . . . A 20 ILE HG13 . 19012 1 208 . 1 1 20 20 ILE HG21 H 1 0.657 0.006 . 1 . . . A 20 ILE QG2 . 19012 1 209 . 1 1 20 20 ILE HG22 H 1 0.657 0.006 . 1 . . . A 20 ILE QG2 . 19012 1 210 . 1 1 20 20 ILE HG23 H 1 0.657 0.006 . 1 . . . A 20 ILE QG2 . 19012 1 211 . 1 1 20 20 ILE HD11 H 1 0.687 0.006 . 1 . . . A 20 ILE QD1 . 19012 1 212 . 1 1 20 20 ILE HD12 H 1 0.687 0.006 . 1 . . . A 20 ILE QD1 . 19012 1 213 . 1 1 20 20 ILE HD13 H 1 0.687 0.006 . 1 . . . A 20 ILE QD1 . 19012 1 214 . 1 1 20 20 ILE CA C 13 57.765 0.162 . 1 . . . A 20 ILE CA . 19012 1 215 . 1 1 20 20 ILE CB C 13 37.839 0.162 . 1 . . . A 20 ILE CB . 19012 1 216 . 1 1 20 20 ILE CG1 C 13 24.250 0.162 . 1 . . . A 20 ILE CG1 . 19012 1 217 . 1 1 20 20 ILE CG2 C 13 15.252 0.162 . 1 . . . A 20 ILE CG2 . 19012 1 218 . 1 1 20 20 ILE CD1 C 13 11.155 0.162 . 1 . . . A 20 ILE CD1 . 19012 1 219 . 1 1 20 20 ILE N N 15 111.313 0.121 . 1 . . . A 20 ILE N . 19012 1 220 . 1 1 21 21 GLU H H 1 7.514 0.006 . 1 . . . A 21 GLU H . 19012 1 221 . 1 1 21 21 GLU HA H 1 4.463 0.006 . 1 . . . A 21 GLU HA . 19012 1 222 . 1 1 21 21 GLU HB2 H 1 1.932 0.006 . 2 . . . A 21 GLU QB . 19012 1 223 . 1 1 21 21 GLU HB3 H 1 1.932 0.006 . 2 . . . A 21 GLU QB . 19012 1 224 . 1 1 21 21 GLU HG2 H 1 2.119 0.006 . 2 . . . A 21 GLU QG . 19012 1 225 . 1 1 21 21 GLU HG3 H 1 2.119 0.006 . 2 . . . A 21 GLU QG . 19012 1 226 . 1 1 21 21 GLU CA C 13 52.227 0.162 . 1 . . . A 21 GLU CA . 19012 1 227 . 1 1 21 21 GLU CB C 13 29.468 0.162 . 1 . . . A 21 GLU CB . 19012 1 228 . 1 1 21 21 GLU CG C 13 33.242 0.162 . 1 . . . A 21 GLU CG . 19012 1 229 . 1 1 21 21 GLU N N 15 119.547 0.121 . 1 . . . A 21 GLU N . 19012 1 230 . 1 1 22 22 GLY H H 1 8.457 0.006 . 1 . . . A 22 GLY H . 19012 1 231 . 1 1 22 22 GLY HA2 H 1 3.739 0.006 . 2 . . . A 22 GLY HA2 . 19012 1 232 . 1 1 22 22 GLY HA3 H 1 3.981 0.006 . 2 . . . A 22 GLY HA3 . 19012 1 233 . 1 1 22 22 GLY CA C 13 43.582 0.162 . 1 . . . A 22 GLY CA . 19012 1 234 . 1 1 22 22 GLY N N 15 109.534 0.121 . 1 . . . A 22 GLY N . 19012 1 235 . 1 1 23 23 THR H H 1 8.881 0.006 . 1 . . . A 23 THR H . 19012 1 236 . 1 1 23 23 THR HA H 1 5.271 0.006 . 1 . . . A 23 THR HA . 19012 1 237 . 1 1 23 23 THR HB H 1 4.046 0.006 . 1 . . . A 23 THR HB . 19012 1 238 . 1 1 23 23 THR HG21 H 1 1.054 0.006 . 1 . . . A 23 THR QG2 . 19012 1 239 . 1 1 23 23 THR HG22 H 1 1.054 0.006 . 1 . . . A 23 THR QG2 . 19012 1 240 . 1 1 23 23 THR HG23 H 1 1.054 0.006 . 1 . . . A 23 THR QG2 . 19012 1 241 . 1 1 23 23 THR CA C 13 60.060 0.162 . 1 . . . A 23 THR CA . 19012 1 242 . 1 1 23 23 THR CB C 13 65.680 0.162 . 1 . . . A 23 THR CB . 19012 1 243 . 1 1 23 23 THR CG2 C 13 18.974 0.162 . 1 . . . A 23 THR CG2 . 19012 1 244 . 1 1 23 23 THR N N 15 124.632 0.121 . 1 . . . A 23 THR N . 19012 1 245 . 1 1 24 24 HIS H H 1 8.919 0.006 . 1 . . . A 24 HIS H . 19012 1 246 . 1 1 24 24 HIS HA H 1 4.780 0.006 . 1 . . . A 24 HIS HA . 19012 1 247 . 1 1 24 24 HIS HB2 H 1 2.859 0.006 . 2 . . . A 24 HIS HB2 . 19012 1 248 . 1 1 24 24 HIS HB3 H 1 2.945 0.006 . 2 . . . A 24 HIS HB3 . 19012 1 249 . 1 1 24 24 HIS HD2 H 1 7.152 0.006 . 1 . . . A 24 HIS HD2 . 19012 1 250 . 1 1 24 24 HIS CA C 13 50.970 0.162 . 1 . . . A 24 HIS CA . 19012 1 251 . 1 1 24 24 HIS CB C 13 27.898 0.162 . 1 . . . A 24 HIS CB . 19012 1 252 . 1 1 24 24 HIS CD2 C 13 118.381 0.162 . 1 . . . A 24 HIS CD2 . 19012 1 253 . 1 1 24 24 HIS N N 15 122.881 0.121 . 1 . . . A 24 HIS N . 19012 1 254 . 1 1 25 25 LYS H H 1 8.816 0.006 . 1 . . . A 25 LYS H . 19012 1 255 . 1 1 25 25 LYS HA H 1 5.437 0.006 . 1 . . . A 25 LYS HA . 19012 1 256 . 1 1 25 25 LYS HB2 H 1 2.386 0.006 . 2 . . . A 25 LYS HB2 . 19012 1 257 . 1 1 25 25 LYS HB3 H 1 1.926 0.006 . 2 . . . A 25 LYS HB3 . 19012 1 258 . 1 1 25 25 LYS HG2 H 1 1.424 0.006 . 2 . . . A 25 LYS HG2 . 19012 1 259 . 1 1 25 25 LYS HG3 H 1 1.318 0.006 . 2 . . . A 25 LYS HG3 . 19012 1 260 . 1 1 25 25 LYS HD2 H 1 1.608 0.006 . 2 . . . A 25 LYS HD2 . 19012 1 261 . 1 1 25 25 LYS HD3 H 1 1.843 0.006 . 2 . . . A 25 LYS HD3 . 19012 1 262 . 1 1 25 25 LYS HE2 H 1 3.014 0.006 . 2 . . . A 25 LYS HE2 . 19012 1 263 . 1 1 25 25 LYS HE3 H 1 2.857 0.006 . 2 . . . A 25 LYS HE3 . 19012 1 264 . 1 1 25 25 LYS CA C 13 52.650 0.162 . 1 . . . A 25 LYS CA . 19012 1 265 . 1 1 25 25 LYS CB C 13 33.277 0.162 . 1 . . . A 25 LYS CB . 19012 1 266 . 1 1 25 25 LYS CG C 13 24.203 0.162 . 1 . . . A 25 LYS CG . 19012 1 267 . 1 1 25 25 LYS CD C 13 27.558 0.162 . 1 . . . A 25 LYS CD . 19012 1 268 . 1 1 25 25 LYS CE C 13 40.192 0.162 . 1 . . . A 25 LYS CE . 19012 1 269 . 1 1 25 25 LYS N N 15 119.738 0.121 . 1 . . . A 25 LYS N . 19012 1 270 . 1 1 26 26 LEU H H 1 9.420 0.006 . 1 . . . A 26 LEU H . 19012 1 271 . 1 1 26 26 LEU HA H 1 5.825 0.006 . 1 . . . A 26 LEU HA . 19012 1 272 . 1 1 26 26 LEU HB2 H 1 1.969 0.006 . 2 . . . A 26 LEU HB2 . 19012 1 273 . 1 1 26 26 LEU HB3 H 1 1.657 0.006 . 2 . . . A 26 LEU HB3 . 19012 1 274 . 1 1 26 26 LEU HG H 1 1.657 0.006 . 1 . . . A 26 LEU HG . 19012 1 275 . 1 1 26 26 LEU HD11 H 1 0.946 0.006 . 2 . . . A 26 LEU QD1 . 19012 1 276 . 1 1 26 26 LEU HD12 H 1 0.946 0.006 . 2 . . . A 26 LEU QD1 . 19012 1 277 . 1 1 26 26 LEU HD13 H 1 0.946 0.006 . 2 . . . A 26 LEU QD1 . 19012 1 278 . 1 1 26 26 LEU HD21 H 1 1.004 0.006 . 2 . . . A 26 LEU QD2 . 19012 1 279 . 1 1 26 26 LEU HD22 H 1 1.004 0.006 . 2 . . . A 26 LEU QD2 . 19012 1 280 . 1 1 26 26 LEU HD23 H 1 1.004 0.006 . 2 . . . A 26 LEU QD2 . 19012 1 281 . 1 1 26 26 LEU CA C 13 51.614 0.162 . 1 . . . A 26 LEU CA . 19012 1 282 . 1 1 26 26 LEU CB C 13 44.544 0.162 . 1 . . . A 26 LEU CB . 19012 1 283 . 1 1 26 26 LEU CG C 13 25.420 0.162 . 1 . . . A 26 LEU CG . 19012 1 284 . 1 1 26 26 LEU CD1 C 13 21.728 0.162 . 2 . . . A 26 LEU CD1 . 19012 1 285 . 1 1 26 26 LEU CD2 C 13 22.958 0.162 . 2 . . . A 26 LEU CD2 . 19012 1 286 . 1 1 26 26 LEU N N 15 126.017 0.121 . 1 . . . A 26 LEU N . 19012 1 287 . 1 1 27 27 LEU H H 1 9.475 0.006 . 1 . . . A 27 LEU H . 19012 1 288 . 1 1 27 27 LEU HA H 1 5.417 0.006 . 1 . . . A 27 LEU HA . 19012 1 289 . 1 1 27 27 LEU HB2 H 1 1.195 0.006 . 2 . . . A 27 LEU HB2 . 19012 1 290 . 1 1 27 27 LEU HB3 H 1 1.304 0.006 . 2 . . . A 27 LEU HB3 . 19012 1 291 . 1 1 27 27 LEU HG H 1 1.525 0.006 . 1 . . . A 27 LEU HG . 19012 1 292 . 1 1 27 27 LEU HD11 H 1 0.120 0.006 . 2 . . . A 27 LEU QD1 . 19012 1 293 . 1 1 27 27 LEU HD12 H 1 0.120 0.006 . 2 . . . A 27 LEU QD1 . 19012 1 294 . 1 1 27 27 LEU HD13 H 1 0.120 0.006 . 2 . . . A 27 LEU QD1 . 19012 1 295 . 1 1 27 27 LEU HD21 H 1 0.686 0.006 . 2 . . . A 27 LEU QD2 . 19012 1 296 . 1 1 27 27 LEU HD22 H 1 0.686 0.006 . 2 . . . A 27 LEU QD2 . 19012 1 297 . 1 1 27 27 LEU HD23 H 1 0.686 0.006 . 2 . . . A 27 LEU QD2 . 19012 1 298 . 1 1 27 27 LEU CA C 13 50.740 0.162 . 1 . . . A 27 LEU CA . 19012 1 299 . 1 1 27 27 LEU CB C 13 44.569 0.162 . 1 . . . A 27 LEU CB . 19012 1 300 . 1 1 27 27 LEU CG C 13 24.443 0.162 . 1 . . . A 27 LEU CG . 19012 1 301 . 1 1 27 27 LEU CD1 C 13 22.303 0.162 . 2 . . . A 27 LEU CD1 . 19012 1 302 . 1 1 27 27 LEU CD2 C 13 21.580 0.162 . 2 . . . A 27 LEU CD2 . 19012 1 303 . 1 1 27 27 LEU N N 15 128.825 0.121 . 1 . . . A 27 LEU N . 19012 1 304 . 1 1 28 28 SER H H 1 8.859 0.006 . 1 . . . A 28 SER H . 19012 1 305 . 1 1 28 28 SER HA H 1 5.337 0.006 . 1 . . . A 28 SER HA . 19012 1 306 . 1 1 28 28 SER HB2 H 1 3.197 0.006 . 2 . . . A 28 SER HB2 . 19012 1 307 . 1 1 28 28 SER HB3 H 1 3.250 0.006 . 2 . . . A 28 SER HB3 . 19012 1 308 . 1 1 28 28 SER CA C 13 53.530 0.162 . 1 . . . A 28 SER CA . 19012 1 309 . 1 1 28 28 SER CB C 13 63.368 0.162 . 1 . . . A 28 SER CB . 19012 1 310 . 1 1 28 28 SER N N 15 117.701 0.121 . 1 . . . A 28 SER N . 19012 1 311 . 1 1 29 29 PHE H H 1 8.401 0.006 . 1 . . . A 29 PHE H . 19012 1 312 . 1 1 29 29 PHE HA H 1 4.679 0.006 . 1 . . . A 29 PHE HA . 19012 1 313 . 1 1 29 29 PHE HB2 H 1 2.987 0.006 . 2 . . . A 29 PHE HB2 . 19012 1 314 . 1 1 29 29 PHE HB3 H 1 2.616 0.006 . 2 . . . A 29 PHE HB3 . 19012 1 315 . 1 1 29 29 PHE HD1 H 1 6.222 0.006 . 3 . . . A 29 PHE QD . 19012 1 316 . 1 1 29 29 PHE HD2 H 1 6.222 0.006 . 3 . . . A 29 PHE QD . 19012 1 317 . 1 1 29 29 PHE HE1 H 1 6.374 0.006 . 3 . . . A 29 PHE QE . 19012 1 318 . 1 1 29 29 PHE HE2 H 1 6.374 0.006 . 3 . . . A 29 PHE QE . 19012 1 319 . 1 1 29 29 PHE HZ H 1 6.781 0.006 . 1 . . . A 29 PHE HZ . 19012 1 320 . 1 1 29 29 PHE CA C 13 54.565 0.162 . 1 . . . A 29 PHE CA . 19012 1 321 . 1 1 29 29 PHE CB C 13 39.104 0.162 . 1 . . . A 29 PHE CB . 19012 1 322 . 1 1 29 29 PHE CD1 C 13 129.900 0.162 . 3 . . . A 29 PHE CD1 . 19012 1 323 . 1 1 29 29 PHE CE1 C 13 127.122 0.162 . 3 . . . A 29 PHE CE1 . 19012 1 324 . 1 1 29 29 PHE CZ C 13 127.788 0.162 . 1 . . . A 29 PHE CZ . 19012 1 325 . 1 1 29 29 PHE N N 15 117.319 0.121 . 1 . . . A 29 PHE N . 19012 1 326 . 1 1 30 30 ASP H H 1 9.573 0.006 . 1 . . . A 30 ASP H . 19012 1 327 . 1 1 30 30 ASP HA H 1 5.217 0.006 . 1 . . . A 30 ASP HA . 19012 1 328 . 1 1 30 30 ASP HB2 H 1 3.078 0.006 . 2 . . . A 30 ASP HB2 . 19012 1 329 . 1 1 30 30 ASP HB3 H 1 2.716 0.006 . 2 . . . A 30 ASP HB3 . 19012 1 330 . 1 1 30 30 ASP CA C 13 50.408 0.162 . 1 . . . A 30 ASP CA . 19012 1 331 . 1 1 30 30 ASP CB C 13 41.148 0.162 . 1 . . . A 30 ASP CB . 19012 1 332 . 1 1 30 30 ASP N N 15 123.741 0.121 . 1 . . . A 30 ASP N . 19012 1 333 . 1 1 31 31 GLU H H 1 9.718 0.006 . 1 . . . A 31 GLU H . 19012 1 334 . 1 1 31 31 GLU HA H 1 4.127 0.006 . 1 . . . A 31 GLU HA . 19012 1 335 . 1 1 31 31 GLU HB2 H 1 2.129 0.006 . 2 . . . A 31 GLU QB . 19012 1 336 . 1 1 31 31 GLU HB3 H 1 2.129 0.006 . 2 . . . A 31 GLU QB . 19012 1 337 . 1 1 31 31 GLU HG2 H 1 2.385 0.006 . 2 . . . A 31 GLU HG2 . 19012 1 338 . 1 1 31 31 GLU HG3 H 1 2.345 0.006 . 2 . . . A 31 GLU HG3 . 19012 1 339 . 1 1 31 31 GLU CA C 13 56.324 0.162 . 1 . . . A 31 GLU CA . 19012 1 340 . 1 1 31 31 GLU CB C 13 27.283 0.162 . 1 . . . A 31 GLU CB . 19012 1 341 . 1 1 31 31 GLU CG C 13 33.734 0.162 . 1 . . . A 31 GLU CG . 19012 1 342 . 1 1 31 31 GLU N N 15 127.123 0.121 . 1 . . . A 31 GLU N . 19012 1 343 . 1 1 32 32 ASP H H 1 8.911 0.006 . 1 . . . A 32 ASP H . 19012 1 344 . 1 1 32 32 ASP HA H 1 4.443 0.006 . 1 . . . A 32 ASP HA . 19012 1 345 . 1 1 32 32 ASP HB2 H 1 2.598 0.006 . 2 . . . A 32 ASP HB2 . 19012 1 346 . 1 1 32 32 ASP HB3 H 1 3.013 0.006 . 2 . . . A 32 ASP HB3 . 19012 1 347 . 1 1 32 32 ASP CA C 13 50.919 0.162 . 1 . . . A 32 ASP CA . 19012 1 348 . 1 1 32 32 ASP CB C 13 37.344 0.162 . 1 . . . A 32 ASP CB . 19012 1 349 . 1 1 32 32 ASP N N 15 119.011 0.121 . 1 . . . A 32 ASP N . 19012 1 350 . 1 1 33 33 GLY H H 1 7.781 0.006 . 1 . . . A 33 GLY H . 19012 1 351 . 1 1 33 33 GLY HA2 H 1 3.069 0.006 . 2 . . . A 33 GLY HA2 . 19012 1 352 . 1 1 33 33 GLY HA3 H 1 4.066 0.006 . 2 . . . A 33 GLY HA3 . 19012 1 353 . 1 1 33 33 GLY CA C 13 43.879 0.162 . 1 . . . A 33 GLY CA . 19012 1 354 . 1 1 33 33 GLY N N 15 106.215 0.121 . 1 . . . A 33 GLY N . 19012 1 355 . 1 1 34 34 THR H H 1 7.863 0.006 . 1 . . . A 34 THR H . 19012 1 356 . 1 1 34 34 THR HA H 1 5.474 0.006 . 1 . . . A 34 THR HA . 19012 1 357 . 1 1 34 34 THR HB H 1 4.261 0.006 . 1 . . . A 34 THR HB . 19012 1 358 . 1 1 34 34 THR HG21 H 1 1.102 0.006 . 1 . . . A 34 THR QG2 . 19012 1 359 . 1 1 34 34 THR HG22 H 1 1.102 0.006 . 1 . . . A 34 THR QG2 . 19012 1 360 . 1 1 34 34 THR HG23 H 1 1.102 0.006 . 1 . . . A 34 THR QG2 . 19012 1 361 . 1 1 34 34 THR CA C 13 57.389 0.162 . 1 . . . A 34 THR CA . 19012 1 362 . 1 1 34 34 THR CB C 13 69.991 0.162 . 1 . . . A 34 THR CB . 19012 1 363 . 1 1 34 34 THR CG2 C 13 18.611 0.162 . 1 . . . A 34 THR CG2 . 19012 1 364 . 1 1 34 34 THR N N 15 111.570 0.121 . 1 . . . A 34 THR N . 19012 1 365 . 1 1 35 35 GLY H H 1 8.235 0.006 . 1 . . . A 35 GLY H . 19012 1 366 . 1 1 35 35 GLY HA2 H 1 3.518 0.006 . 2 . . . A 35 GLY HA2 . 19012 1 367 . 1 1 35 35 GLY HA3 H 1 3.982 0.006 . 2 . . . A 35 GLY HA3 . 19012 1 368 . 1 1 35 35 GLY CA C 13 43.233 0.162 . 1 . . . A 35 GLY CA . 19012 1 369 . 1 1 35 35 GLY N N 15 106.781 0.121 . 1 . . . A 35 GLY N . 19012 1 370 . 1 1 36 36 SER H H 1 8.182 0.006 . 1 . . . A 36 SER H . 19012 1 371 . 1 1 36 36 SER HA H 1 4.659 0.006 . 1 . . . A 36 SER HA . 19012 1 372 . 1 1 36 36 SER HB2 H 1 3.626 0.006 . 2 . . . A 36 SER HB2 . 19012 1 373 . 1 1 36 36 SER HB3 H 1 3.583 0.006 . 2 . . . A 36 SER HB3 . 19012 1 374 . 1 1 36 36 SER CA C 13 54.509 0.162 . 1 . . . A 36 SER CA . 19012 1 375 . 1 1 36 36 SER CB C 13 64.821 0.162 . 1 . . . A 36 SER CB . 19012 1 376 . 1 1 36 36 SER N N 15 113.807 0.121 . 1 . . . A 36 SER N . 19012 1 377 . 1 1 37 37 PHE H H 1 8.829 0.006 . 1 . . . A 37 PHE H . 19012 1 378 . 1 1 37 37 PHE HA H 1 5.885 0.006 . 1 . . . A 37 PHE HA . 19012 1 379 . 1 1 37 37 PHE HB2 H 1 3.568 0.006 . 2 . . . A 37 PHE HB2 . 19012 1 380 . 1 1 37 37 PHE HB3 H 1 2.617 0.006 . 2 . . . A 37 PHE HB3 . 19012 1 381 . 1 1 37 37 PHE HD1 H 1 7.124 0.006 . 3 . . . A 37 PHE QD . 19012 1 382 . 1 1 37 37 PHE HD2 H 1 7.124 0.006 . 3 . . . A 37 PHE QD . 19012 1 383 . 1 1 37 37 PHE HE1 H 1 7.211 0.006 . 3 . . . A 37 PHE QE . 19012 1 384 . 1 1 37 37 PHE HE2 H 1 7.211 0.006 . 3 . . . A 37 PHE QE . 19012 1 385 . 1 1 37 37 PHE CA C 13 52.308 0.162 . 1 . . . A 37 PHE CA . 19012 1 386 . 1 1 37 37 PHE CB C 13 41.174 0.162 . 1 . . . A 37 PHE CB . 19012 1 387 . 1 1 37 37 PHE CD1 C 13 129.719 0.162 . 3 . . . A 37 PHE CD1 . 19012 1 388 . 1 1 37 37 PHE CE1 C 13 127.932 0.162 . 3 . . . A 37 PHE CE1 . 19012 1 389 . 1 1 37 37 PHE N N 15 120.041 0.121 . 1 . . . A 37 PHE N . 19012 1 390 . 1 1 38 38 GLY H H 1 8.936 0.006 . 1 . . . A 38 GLY H . 19012 1 391 . 1 1 38 38 GLY HA2 H 1 3.518 0.006 . 2 . . . A 38 GLY HA2 . 19012 1 392 . 1 1 38 38 GLY HA3 H 1 4.645 0.006 . 2 . . . A 38 GLY HA3 . 19012 1 393 . 1 1 38 38 GLY CA C 13 42.092 0.162 . 1 . . . A 38 GLY CA . 19012 1 394 . 1 1 38 38 GLY N N 15 115.263 0.121 . 1 . . . A 38 GLY N . 19012 1 395 . 1 1 39 39 ILE H H 1 7.724 0.006 . 1 . . . A 39 ILE H . 19012 1 396 . 1 1 39 39 ILE HA H 1 4.292 0.006 . 1 . . . A 39 ILE HA . 19012 1 397 . 1 1 39 39 ILE HB H 1 1.252 0.006 . 1 . . . A 39 ILE HB . 19012 1 398 . 1 1 39 39 ILE HG12 H 1 0.477 0.006 . 2 . . . A 39 ILE HG12 . 19012 1 399 . 1 1 39 39 ILE HG13 H 1 0.992 0.006 . 2 . . . A 39 ILE HG13 . 19012 1 400 . 1 1 39 39 ILE HG21 H 1 0.656 0.006 . 1 . . . A 39 ILE QG2 . 19012 1 401 . 1 1 39 39 ILE HG22 H 1 0.656 0.006 . 1 . . . A 39 ILE QG2 . 19012 1 402 . 1 1 39 39 ILE HG23 H 1 0.656 0.006 . 1 . . . A 39 ILE QG2 . 19012 1 403 . 1 1 39 39 ILE HD11 H 1 0.748 0.006 . 1 . . . A 39 ILE QD1 . 19012 1 404 . 1 1 39 39 ILE HD12 H 1 0.748 0.006 . 1 . . . A 39 ILE QD1 . 19012 1 405 . 1 1 39 39 ILE HD13 H 1 0.748 0.006 . 1 . . . A 39 ILE QD1 . 19012 1 406 . 1 1 39 39 ILE CA C 13 58.280 0.162 . 1 . . . A 39 ILE CA . 19012 1 407 . 1 1 39 39 ILE CB C 13 36.838 0.162 . 1 . . . A 39 ILE CB . 19012 1 408 . 1 1 39 39 ILE CG1 C 13 25.769 0.162 . 1 . . . A 39 ILE CG1 . 19012 1 409 . 1 1 39 39 ILE CG2 C 13 14.847 0.162 . 1 . . . A 39 ILE CG2 . 19012 1 410 . 1 1 39 39 ILE CD1 C 13 10.491 0.162 . 1 . . . A 39 ILE CD1 . 19012 1 411 . 1 1 39 39 ILE N N 15 119.791 0.121 . 1 . . . A 39 ILE N . 19012 1 412 . 1 1 40 40 TYR H H 1 8.782 0.006 . 1 . . . A 40 TYR H . 19012 1 413 . 1 1 40 40 TYR HA H 1 4.742 0.006 . 1 . . . A 40 TYR HA . 19012 1 414 . 1 1 40 40 TYR HB2 H 1 2.455 0.006 . 2 . . . A 40 TYR HB2 . 19012 1 415 . 1 1 40 40 TYR HB3 H 1 1.074 0.006 . 2 . . . A 40 TYR HB3 . 19012 1 416 . 1 1 40 40 TYR HD1 H 1 6.497 0.006 . 3 . . . A 40 TYR QD . 19012 1 417 . 1 1 40 40 TYR HD2 H 1 6.497 0.006 . 3 . . . A 40 TYR QD . 19012 1 418 . 1 1 40 40 TYR HE1 H 1 6.605 0.006 . 3 . . . A 40 TYR QE . 19012 1 419 . 1 1 40 40 TYR HE2 H 1 6.605 0.006 . 3 . . . A 40 TYR QE . 19012 1 420 . 1 1 40 40 TYR CA C 13 53.881 0.162 . 1 . . . A 40 TYR CA . 19012 1 421 . 1 1 40 40 TYR CB C 13 39.894 0.162 . 1 . . . A 40 TYR CB . 19012 1 422 . 1 1 40 40 TYR CD1 C 13 130.069 0.162 . 3 . . . A 40 TYR CD1 . 19012 1 423 . 1 1 40 40 TYR CD2 C 13 130.069 0.162 . 3 . . . A 40 TYR CD2 . 19012 1 424 . 1 1 40 40 TYR CE2 C 13 115.567 0.162 . 3 . . . A 40 TYR CE2 . 19012 1 425 . 1 1 40 40 TYR N N 15 125.748 0.121 . 1 . . . A 40 TYR N . 19012 1 426 . 1 1 41 41 SER H H 1 8.708 0.006 . 1 . . . A 41 SER H . 19012 1 427 . 1 1 41 41 SER HA H 1 4.689 0.006 . 1 . . . A 41 SER HA . 19012 1 428 . 1 1 41 41 SER HB2 H 1 3.668 0.006 . 2 . . . A 41 SER HB2 . 19012 1 429 . 1 1 41 41 SER HB3 H 1 3.536 0.006 . 2 . . . A 41 SER HB3 . 19012 1 430 . 1 1 41 41 SER CA C 13 53.337 0.162 . 1 . . . A 41 SER CA . 19012 1 431 . 1 1 41 41 SER CB C 13 60.205 0.162 . 1 . . . A 41 SER CB . 19012 1 432 . 1 1 41 41 SER N N 15 114.721 0.121 . 1 . . . A 41 SER N . 19012 1 433 . 1 1 42 42 ASN H H 1 9.239 0.006 . 1 . . . A 42 ASN H . 19012 1 434 . 1 1 42 42 ASN HA H 1 4.298 0.006 . 1 . . . A 42 ASN HA . 19012 1 435 . 1 1 42 42 ASN HB2 H 1 3.274 0.006 . 2 . . . A 42 ASN HB2 . 19012 1 436 . 1 1 42 42 ASN HB3 H 1 2.916 0.006 . 2 . . . A 42 ASN HB3 . 19012 1 437 . 1 1 42 42 ASN HD21 H 1 7.695 0.006 . 1 . . . A 42 ASN HD21 . 19012 1 438 . 1 1 42 42 ASN HD22 H 1 7.158 0.006 . 1 . . . A 42 ASN HD22 . 19012 1 439 . 1 1 42 42 ASN CA C 13 54.083 0.162 . 1 . . . A 42 ASN CA . 19012 1 440 . 1 1 42 42 ASN CB C 13 34.720 0.162 . 1 . . . A 42 ASN CB . 19012 1 441 . 1 1 42 42 ASN N N 15 124.063 0.121 . 1 . . . A 42 ASN N . 19012 1 442 . 1 1 42 42 ASN ND2 N 15 115.884 0.121 . 1 . . . A 42 ASN ND2 . 19012 1 443 . 1 1 43 43 ALA H H 1 8.468 0.006 . 1 . . . A 43 ALA H . 19012 1 444 . 1 1 43 43 ALA HA H 1 4.576 0.006 . 1 . . . A 43 ALA HA . 19012 1 445 . 1 1 43 43 ALA HB1 H 1 1.428 0.006 . 1 . . . A 43 ALA QB . 19012 1 446 . 1 1 43 43 ALA HB2 H 1 1.428 0.006 . 1 . . . A 43 ALA QB . 19012 1 447 . 1 1 43 43 ALA HB3 H 1 1.428 0.006 . 1 . . . A 43 ALA QB . 19012 1 448 . 1 1 43 43 ALA CA C 13 50.170 0.162 . 1 . . . A 43 ALA CA . 19012 1 449 . 1 1 43 43 ALA CB C 13 16.678 0.162 . 1 . . . A 43 ALA CB . 19012 1 450 . 1 1 43 43 ALA N N 15 125.505 0.121 . 1 . . . A 43 ALA N . 19012 1 451 . 1 1 44 44 THR H H 1 8.420 0.006 . 1 . . . A 44 THR H . 19012 1 452 . 1 1 44 44 THR HA H 1 4.550 0.006 . 1 . . . A 44 THR HA . 19012 1 453 . 1 1 44 44 THR HB H 1 4.253 0.006 . 1 . . . A 44 THR HB . 19012 1 454 . 1 1 44 44 THR HG21 H 1 1.136 0.006 . 1 . . . A 44 THR QG2 . 19012 1 455 . 1 1 44 44 THR HG22 H 1 1.136 0.006 . 1 . . . A 44 THR QG2 . 19012 1 456 . 1 1 44 44 THR HG23 H 1 1.136 0.006 . 1 . . . A 44 THR QG2 . 19012 1 457 . 1 1 44 44 THR CA C 13 58.028 0.162 . 1 . . . A 44 THR CA . 19012 1 458 . 1 1 44 44 THR CB C 13 68.176 0.162 . 1 . . . A 44 THR CB . 19012 1 459 . 1 1 44 44 THR CG2 C 13 18.653 0.162 . 1 . . . A 44 THR CG2 . 19012 1 460 . 1 1 44 44 THR N N 15 119.056 0.121 . 1 . . . A 44 THR N . 19012 1 461 . 1 1 45 45 PRO HA H 1 3.797 0.006 . 1 . . . A 45 PRO HA . 19012 1 462 . 1 1 45 45 PRO HB2 H 1 1.659 0.006 . 2 . . . A 45 PRO HB2 . 19012 1 463 . 1 1 45 45 PRO HB3 H 1 1.575 0.006 . 2 . . . A 45 PRO HB3 . 19012 1 464 . 1 1 45 45 PRO HG2 H 1 2.068 0.006 . 2 . . . A 45 PRO HG2 . 19012 1 465 . 1 1 45 45 PRO HG3 H 1 1.884 0.006 . 2 . . . A 45 PRO HG3 . 19012 1 466 . 1 1 45 45 PRO HD2 H 1 3.766 0.006 . 2 . . . A 45 PRO HD2 . 19012 1 467 . 1 1 45 45 PRO HD3 H 1 4.058 0.006 . 2 . . . A 45 PRO HD3 . 19012 1 468 . 1 1 45 45 PRO CA C 13 60.280 0.162 . 1 . . . A 45 PRO CA . 19012 1 469 . 1 1 45 45 PRO CB C 13 28.488 0.162 . 1 . . . A 45 PRO CB . 19012 1 470 . 1 1 45 45 PRO CG C 13 24.793 0.162 . 1 . . . A 45 PRO CG . 19012 1 471 . 1 1 45 45 PRO CD C 13 48.392 0.162 . 1 . . . A 45 PRO CD . 19012 1 472 . 1 1 46 46 ILE H H 1 8.998 0.006 . 1 . . . A 46 ILE H . 19012 1 473 . 1 1 46 46 ILE HA H 1 4.023 0.006 . 1 . . . A 46 ILE HA . 19012 1 474 . 1 1 46 46 ILE HB H 1 1.488 0.006 . 1 . . . A 46 ILE HB . 19012 1 475 . 1 1 46 46 ILE HG12 H 1 1.122 0.006 . 2 . . . A 46 ILE HG12 . 19012 1 476 . 1 1 46 46 ILE HG13 H 1 0.931 0.006 . 2 . . . A 46 ILE HG13 . 19012 1 477 . 1 1 46 46 ILE HG21 H 1 0.710 0.006 . 1 . . . A 46 ILE QG2 . 19012 1 478 . 1 1 46 46 ILE HG22 H 1 0.710 0.006 . 1 . . . A 46 ILE QG2 . 19012 1 479 . 1 1 46 46 ILE HG23 H 1 0.710 0.006 . 1 . . . A 46 ILE QG2 . 19012 1 480 . 1 1 46 46 ILE HD11 H 1 0.601 0.006 . 1 . . . A 46 ILE QD1 . 19012 1 481 . 1 1 46 46 ILE HD12 H 1 0.601 0.006 . 1 . . . A 46 ILE QD1 . 19012 1 482 . 1 1 46 46 ILE HD13 H 1 0.601 0.006 . 1 . . . A 46 ILE QD1 . 19012 1 483 . 1 1 46 46 ILE CA C 13 58.609 0.162 . 1 . . . A 46 ILE CA . 19012 1 484 . 1 1 46 46 ILE CB C 13 35.652 0.162 . 1 . . . A 46 ILE CB . 19012 1 485 . 1 1 46 46 ILE CG1 C 13 24.299 0.162 . 1 . . . A 46 ILE CG1 . 19012 1 486 . 1 1 46 46 ILE CG2 C 13 14.527 0.162 . 1 . . . A 46 ILE CG2 . 19012 1 487 . 1 1 46 46 ILE CD1 C 13 9.172 0.162 . 1 . . . A 46 ILE CD1 . 19012 1 488 . 1 1 46 46 ILE N N 15 124.607 0.121 . 1 . . . A 46 ILE N . 19012 1 489 . 1 1 47 47 SER H H 1 7.439 0.006 . 1 . . . A 47 SER H . 19012 1 490 . 1 1 47 47 SER HA H 1 4.474 0.006 . 1 . . . A 47 SER HA . 19012 1 491 . 1 1 47 47 SER HB2 H 1 3.628 0.006 . 2 . . . A 47 SER HB2 . 19012 1 492 . 1 1 47 47 SER HB3 H 1 3.463 0.006 . 2 . . . A 47 SER HB3 . 19012 1 493 . 1 1 47 47 SER CA C 13 54.926 0.162 . 1 . . . A 47 SER CA . 19012 1 494 . 1 1 47 47 SER CB C 13 62.419 0.162 . 1 . . . A 47 SER CB . 19012 1 495 . 1 1 47 47 SER N N 15 112.826 0.121 . 1 . . . A 47 SER N . 19012 1 496 . 1 1 48 48 PHE H H 1 8.238 0.006 . 1 . . . A 48 PHE H . 19012 1 497 . 1 1 48 48 PHE HA H 1 5.194 0.006 . 1 . . . A 48 PHE HA . 19012 1 498 . 1 1 48 48 PHE HB2 H 1 2.910 0.006 . 2 . . . A 48 PHE HB2 . 19012 1 499 . 1 1 48 48 PHE HB3 H 1 2.701 0.006 . 2 . . . A 48 PHE HB3 . 19012 1 500 . 1 1 48 48 PHE HD1 H 1 7.024 0.006 . 3 . . . A 48 PHE QD . 19012 1 501 . 1 1 48 48 PHE HD2 H 1 7.024 0.006 . 3 . . . A 48 PHE QD . 19012 1 502 . 1 1 48 48 PHE HE1 H 1 7.234 0.006 . 3 . . . A 48 PHE QE . 19012 1 503 . 1 1 48 48 PHE HE2 H 1 7.234 0.006 . 3 . . . A 48 PHE QE . 19012 1 504 . 1 1 48 48 PHE CA C 13 55.624 0.162 . 1 . . . A 48 PHE CA . 19012 1 505 . 1 1 48 48 PHE CB C 13 40.000 0.162 . 1 . . . A 48 PHE CB . 19012 1 506 . 1 1 48 48 PHE CD1 C 13 129.169 0.162 . 3 . . . A 48 PHE CD1 . 19012 1 507 . 1 1 48 48 PHE CD2 C 13 129.169 0.162 . 3 . . . A 48 PHE CD2 . 19012 1 508 . 1 1 48 48 PHE CE1 C 13 128.945 0.162 . 3 . . . A 48 PHE CE1 . 19012 1 509 . 1 1 48 48 PHE CE2 C 13 128.945 0.162 . 3 . . . A 48 PHE CE2 . 19012 1 510 . 1 1 48 48 PHE CZ C 13 127.093 0.162 . 1 . . . A 48 PHE CZ . 19012 1 511 . 1 1 48 48 PHE N N 15 123.266 0.121 . 1 . . . A 48 PHE N . 19012 1 512 . 1 1 49 49 GLN H H 1 8.607 0.006 . 1 . . . A 49 GLN H . 19012 1 513 . 1 1 49 49 GLN HA H 1 4.935 0.006 . 1 . . . A 49 GLN HA . 19012 1 514 . 1 1 49 49 GLN HB2 H 1 1.982 0.006 . 2 . . . A 49 GLN HB2 . 19012 1 515 . 1 1 49 49 GLN HB3 H 1 2.196 0.006 . 2 . . . A 49 GLN HB3 . 19012 1 516 . 1 1 49 49 GLN HG2 H 1 2.196 0.006 . 2 . . . A 49 GLN HG2 . 19012 1 517 . 1 1 49 49 GLN HG3 H 1 2.445 0.006 . 2 . . . A 49 GLN HG3 . 19012 1 518 . 1 1 49 49 GLN HE21 H 1 6.631 0.006 . 1 . . . A 49 GLN HE21 . 19012 1 519 . 1 1 49 49 GLN HE22 H 1 7.358 0.006 . 1 . . . A 49 GLN HE22 . 19012 1 520 . 1 1 49 49 GLN CA C 13 51.294 0.162 . 1 . . . A 49 GLN CA . 19012 1 521 . 1 1 49 49 GLN CB C 13 29.688 0.162 . 1 . . . A 49 GLN CB . 19012 1 522 . 1 1 49 49 GLN CG C 13 30.860 0.162 . 1 . . . A 49 GLN CG . 19012 1 523 . 1 1 49 49 GLN N N 15 123.564 0.121 . 1 . . . A 49 GLN N . 19012 1 524 . 1 1 49 49 GLN NE2 N 15 112.984 0.121 . 1 . . . A 49 GLN NE2 . 19012 1 525 . 1 1 50 50 MET H H 1 9.071 0.006 . 1 . . . A 50 MET H . 19012 1 526 . 1 1 50 50 MET HA H 1 4.637 0.006 . 1 . . . A 50 MET HA . 19012 1 527 . 1 1 50 50 MET HB2 H 1 1.614 0.006 . 2 . . . A 50 MET HB2 . 19012 1 528 . 1 1 50 50 MET HB3 H 1 2.143 0.006 . 2 . . . A 50 MET HB3 . 19012 1 529 . 1 1 50 50 MET HG2 H 1 2.477 0.006 . 2 . . . A 50 MET HG2 . 19012 1 530 . 1 1 50 50 MET HG3 H 1 2.372 0.006 . 2 . . . A 50 MET HG3 . 19012 1 531 . 1 1 50 50 MET HE1 H 1 2.004 0.006 . 1 . . . A 50 MET QE . 19012 1 532 . 1 1 50 50 MET HE2 H 1 2.004 0.006 . 1 . . . A 50 MET QE . 19012 1 533 . 1 1 50 50 MET HE3 H 1 2.004 0.006 . 1 . . . A 50 MET QE . 19012 1 534 . 1 1 50 50 MET CA C 13 51.562 0.162 . 1 . . . A 50 MET CA . 19012 1 535 . 1 1 50 50 MET CB C 13 33.549 0.162 . 1 . . . A 50 MET CB . 19012 1 536 . 1 1 50 50 MET CG C 13 30.158 0.162 . 1 . . . A 50 MET CG . 19012 1 537 . 1 1 50 50 MET CE C 13 14.550 0.162 . 1 . . . A 50 MET CE . 19012 1 538 . 1 1 50 50 MET N N 15 120.626 0.121 . 1 . . . A 50 MET N . 19012 1 539 . 1 1 51 51 PHE HA H 1 4.928 0.006 . 1 . . . A 51 PHE HA . 19012 1 540 . 1 1 51 51 PHE HB2 H 1 2.795 0.006 . 2 . . . A 51 PHE HB2 . 19012 1 541 . 1 1 51 51 PHE HB3 H 1 3.387 0.006 . 2 . . . A 51 PHE HB3 . 19012 1 542 . 1 1 51 51 PHE CA C 13 53.899 0.162 . 1 . . . A 51 PHE CA . 19012 1 543 . 1 1 51 51 PHE CB C 13 38.018 0.162 . 1 . . . A 51 PHE CB . 19012 1 544 . 1 1 51 51 PHE N N 15 112.996 0.121 . 1 . . . A 51 PHE N . 19012 1 545 . 1 1 52 52 ASP H H 1 8.469 0.006 . 1 . . . A 52 ASP H . 19012 1 546 . 1 1 52 52 ASP HA H 1 5.640 0.006 . 1 . . . A 52 ASP HA . 19012 1 547 . 1 1 52 52 ASP HB2 H 1 0.830 0.006 . 2 . . . A 52 ASP HB2 . 19012 1 548 . 1 1 52 52 ASP HB3 H 1 2.181 0.006 . 2 . . . A 52 ASP HB3 . 19012 1 549 . 1 1 52 52 ASP CA C 13 50.264 0.162 . 1 . . . A 52 ASP CA . 19012 1 550 . 1 1 52 52 ASP CB C 13 38.971 0.162 . 1 . . . A 52 ASP CB . 19012 1 551 . 1 1 52 52 ASP N N 15 118.727 0.121 . 1 . . . A 52 ASP N . 19012 1 552 . 1 1 53 53 TYR H H 1 8.725 0.006 . 1 . . . A 53 TYR H . 19012 1 553 . 1 1 53 53 TYR HA H 1 6.351 0.006 . 1 . . . A 53 TYR HA . 19012 1 554 . 1 1 53 53 TYR HB2 H 1 2.924 0.006 . 2 . . . A 53 TYR QB . 19012 1 555 . 1 1 53 53 TYR HB3 H 1 2.924 0.006 . 2 . . . A 53 TYR QB . 19012 1 556 . 1 1 53 53 TYR HD1 H 1 6.370 0.006 . 3 . . . A 53 TYR QD . 19012 1 557 . 1 1 53 53 TYR HD2 H 1 6.370 0.006 . 3 . . . A 53 TYR QD . 19012 1 558 . 1 1 53 53 TYR CA C 13 53.296 0.162 . 1 . . . A 53 TYR CA . 19012 1 559 . 1 1 53 53 TYR CB C 13 40.764 0.162 . 1 . . . A 53 TYR CB . 19012 1 560 . 1 1 53 53 TYR CD1 C 13 127.264 0.162 . 3 . . . A 53 TYR CD1 . 19012 1 561 . 1 1 53 53 TYR CD2 C 13 127.264 0.162 . 3 . . . A 53 TYR CD2 . 19012 1 562 . 1 1 53 53 TYR N N 15 115.709 0.121 . 1 . . . A 53 TYR N . 19012 1 563 . 1 1 54 54 LYS H H 1 8.972 0.006 . 1 . . . A 54 LYS H . 19012 1 564 . 1 1 54 54 LYS HA H 1 4.445 0.006 . 1 . . . A 54 LYS HA . 19012 1 565 . 1 1 54 54 LYS HB2 H 1 1.725 0.006 . 2 . . . A 54 LYS HB2 . 19012 1 566 . 1 1 54 54 LYS HB3 H 1 1.919 0.006 . 2 . . . A 54 LYS HB3 . 19012 1 567 . 1 1 54 54 LYS HG2 H 1 1.498 0.006 . 2 . . . A 54 LYS HG2 . 19012 1 568 . 1 1 54 54 LYS HG3 H 1 1.387 0.006 . 2 . . . A 54 LYS HG3 . 19012 1 569 . 1 1 54 54 LYS HD2 H 1 1.500 0.006 . 2 . . . A 54 LYS QD . 19012 1 570 . 1 1 54 54 LYS HD3 H 1 1.500 0.006 . 2 . . . A 54 LYS QD . 19012 1 571 . 1 1 54 54 LYS HE2 H 1 2.686 0.006 . 2 . . . A 54 LYS QE . 19012 1 572 . 1 1 54 54 LYS HE3 H 1 2.686 0.006 . 2 . . . A 54 LYS QE . 19012 1 573 . 1 1 54 54 LYS CA C 13 52.187 0.162 . 1 . . . A 54 LYS CA . 19012 1 574 . 1 1 54 54 LYS CB C 13 34.819 0.162 . 1 . . . A 54 LYS CB . 19012 1 575 . 1 1 54 54 LYS CG C 13 22.694 0.162 . 1 . . . A 54 LYS CG . 19012 1 576 . 1 1 54 54 LYS CD C 13 26.846 0.162 . 1 . . . A 54 LYS CD . 19012 1 577 . 1 1 54 54 LYS CE C 13 37.499 0.162 . 1 . . . A 54 LYS CE . 19012 1 578 . 1 1 54 54 LYS N N 15 118.766 0.121 . 1 . . . A 54 LYS N . 19012 1 579 . 1 1 55 55 ILE H H 1 8.832 0.006 . 1 . . . A 55 ILE H . 19012 1 580 . 1 1 55 55 ILE HA H 1 4.796 0.006 . 1 . . . A 55 ILE HA . 19012 1 581 . 1 1 55 55 ILE HB H 1 1.911 0.006 . 1 . . . A 55 ILE HB . 19012 1 582 . 1 1 55 55 ILE HG12 H 1 1.375 0.006 . 2 . . . A 55 ILE HG12 . 19012 1 583 . 1 1 55 55 ILE HG13 H 1 1.140 0.006 . 2 . . . A 55 ILE HG13 . 19012 1 584 . 1 1 55 55 ILE HG21 H 1 0.575 0.006 . 1 . . . A 55 ILE QG2 . 19012 1 585 . 1 1 55 55 ILE HG22 H 1 0.575 0.006 . 1 . . . A 55 ILE QG2 . 19012 1 586 . 1 1 55 55 ILE HG23 H 1 0.575 0.006 . 1 . . . A 55 ILE QG2 . 19012 1 587 . 1 1 55 55 ILE HD11 H 1 0.517 0.006 . 1 . . . A 55 ILE QD1 . 19012 1 588 . 1 1 55 55 ILE HD12 H 1 0.517 0.006 . 1 . . . A 55 ILE QD1 . 19012 1 589 . 1 1 55 55 ILE HD13 H 1 0.517 0.006 . 1 . . . A 55 ILE QD1 . 19012 1 590 . 1 1 55 55 ILE CA C 13 56.172 0.162 . 1 . . . A 55 ILE CA . 19012 1 591 . 1 1 55 55 ILE CB C 13 33.404 0.162 . 1 . . . A 55 ILE CB . 19012 1 592 . 1 1 55 55 ILE CG1 C 13 24.427 0.162 . 1 . . . A 55 ILE CG1 . 19012 1 593 . 1 1 55 55 ILE CG2 C 13 14.795 0.162 . 1 . . . A 55 ILE CG2 . 19012 1 594 . 1 1 55 55 ILE CD1 C 13 9.038 0.162 . 1 . . . A 55 ILE CD1 . 19012 1 595 . 1 1 55 55 ILE N N 15 122.406 0.121 . 1 . . . A 55 ILE N . 19012 1 596 . 1 1 56 56 GLU H H 1 8.787 0.006 . 1 . . . A 56 GLU H . 19012 1 597 . 1 1 56 56 GLU HA H 1 4.575 0.006 . 1 . . . A 56 GLU HA . 19012 1 598 . 1 1 56 56 GLU HB2 H 1 1.921 0.006 . 2 . . . A 56 GLU HB2 . 19012 1 599 . 1 1 56 56 GLU HB3 H 1 1.693 0.006 . 2 . . . A 56 GLU HB3 . 19012 1 600 . 1 1 56 56 GLU HG2 H 1 2.054 0.006 . 2 . . . A 56 GLU HG2 . 19012 1 601 . 1 1 56 56 GLU HG3 H 1 1.965 0.006 . 2 . . . A 56 GLU HG3 . 19012 1 602 . 1 1 56 56 GLU CA C 13 52.300 0.162 . 1 . . . A 56 GLU CA . 19012 1 603 . 1 1 56 56 GLU CB C 13 30.432 0.162 . 1 . . . A 56 GLU CB . 19012 1 604 . 1 1 56 56 GLU CG C 13 33.331 0.162 . 1 . . . A 56 GLU CG . 19012 1 605 . 1 1 56 56 GLU N N 15 128.507 0.121 . 1 . . . A 56 GLU N . 19012 1 606 . 1 1 57 57 GLU H H 1 9.296 0.006 . 1 . . . A 57 GLU H . 19012 1 607 . 1 1 57 57 GLU HA H 1 3.809 0.006 . 1 . . . A 57 GLU HA . 19012 1 608 . 1 1 57 57 GLU HB2 H 1 2.067 0.006 . 2 . . . A 57 GLU HB2 . 19012 1 609 . 1 1 57 57 GLU HB3 H 1 1.863 0.006 . 2 . . . A 57 GLU HB3 . 19012 1 610 . 1 1 57 57 GLU HG2 H 1 2.128 0.006 . 2 . . . A 57 GLU HG2 . 19012 1 611 . 1 1 57 57 GLU HG3 H 1 2.149 0.006 . 2 . . . A 57 GLU HG3 . 19012 1 612 . 1 1 57 57 GLU CA C 13 54.254 0.162 . 1 . . . A 57 GLU CA . 19012 1 613 . 1 1 57 57 GLU CB C 13 25.445 0.162 . 1 . . . A 57 GLU CB . 19012 1 614 . 1 1 57 57 GLU CG C 13 33.845 0.162 . 1 . . . A 57 GLU CG . 19012 1 615 . 1 1 57 57 GLU N N 15 125.606 0.121 . 1 . . . A 57 GLU N . 19012 1 616 . 1 1 58 58 GLY H H 1 8.267 0.006 . 1 . . . A 58 GLY H . 19012 1 617 . 1 1 58 58 GLY HA2 H 1 3.615 0.006 . 2 . . . A 58 GLY HA2 . 19012 1 618 . 1 1 58 58 GLY HA3 H 1 4.047 0.006 . 2 . . . A 58 GLY HA3 . 19012 1 619 . 1 1 58 58 GLY CA C 13 43.401 0.162 . 1 . . . A 58 GLY CA . 19012 1 620 . 1 1 58 58 GLY N N 15 103.913 0.121 . 1 . . . A 58 GLY N . 19012 1 621 . 1 1 59 59 ARG H H 1 7.840 0.006 . 1 . . . A 59 ARG H . 19012 1 622 . 1 1 59 59 ARG HA H 1 4.787 0.006 . 1 . . . A 59 ARG HA . 19012 1 623 . 1 1 59 59 ARG HB2 H 1 1.767 0.006 . 2 . . . A 59 ARG HB2 . 19012 1 624 . 1 1 59 59 ARG HB3 H 1 1.833 0.006 . 2 . . . A 59 ARG HB3 . 19012 1 625 . 1 1 59 59 ARG HG2 H 1 1.601 0.006 . 2 . . . A 59 ARG HG2 . 19012 1 626 . 1 1 59 59 ARG HG3 H 1 1.568 0.006 . 2 . . . A 59 ARG HG3 . 19012 1 627 . 1 1 59 59 ARG HD2 H 1 2.729 0.006 . 2 . . . A 59 ARG HD2 . 19012 1 628 . 1 1 59 59 ARG HD3 H 1 2.842 0.006 . 2 . . . A 59 ARG HD3 . 19012 1 629 . 1 1 59 59 ARG CA C 13 51.812 0.162 . 1 . . . A 59 ARG CA . 19012 1 630 . 1 1 59 59 ARG CB C 13 32.023 0.162 . 1 . . . A 59 ARG CB . 19012 1 631 . 1 1 59 59 ARG CG C 13 24.189 0.162 . 1 . . . A 59 ARG CG . 19012 1 632 . 1 1 59 59 ARG CD C 13 41.653 0.162 . 1 . . . A 59 ARG CD . 19012 1 633 . 1 1 59 59 ARG N N 15 119.125 0.121 . 1 . . . A 59 ARG N . 19012 1 634 . 1 1 60 60 ILE H H 1 8.150 0.006 . 1 . . . A 60 ILE H . 19012 1 635 . 1 1 60 60 ILE HA H 1 4.409 0.006 . 1 . . . A 60 ILE HA . 19012 1 636 . 1 1 60 60 ILE HB H 1 1.506 0.006 . 1 . . . A 60 ILE HB . 19012 1 637 . 1 1 60 60 ILE HG12 H 1 1.350 0.006 . 2 . . . A 60 ILE HG12 . 19012 1 638 . 1 1 60 60 ILE HG13 H 1 0.339 0.006 . 2 . . . A 60 ILE HG13 . 19012 1 639 . 1 1 60 60 ILE HG21 H 1 0.605 0.006 . 1 . . . A 60 ILE QG2 . 19012 1 640 . 1 1 60 60 ILE HG22 H 1 0.605 0.006 . 1 . . . A 60 ILE QG2 . 19012 1 641 . 1 1 60 60 ILE HG23 H 1 0.605 0.006 . 1 . . . A 60 ILE QG2 . 19012 1 642 . 1 1 60 60 ILE HD11 H 1 0.220 0.006 . 1 . . . A 60 ILE QD1 . 19012 1 643 . 1 1 60 60 ILE HD12 H 1 0.220 0.006 . 1 . . . A 60 ILE QD1 . 19012 1 644 . 1 1 60 60 ILE HD13 H 1 0.220 0.006 . 1 . . . A 60 ILE QD1 . 19012 1 645 . 1 1 60 60 ILE CA C 13 58.461 0.162 . 1 . . . A 60 ILE CA . 19012 1 646 . 1 1 60 60 ILE CB C 13 36.943 0.162 . 1 . . . A 60 ILE CB . 19012 1 647 . 1 1 60 60 ILE CG1 C 13 24.969 0.162 . 1 . . . A 60 ILE CG1 . 19012 1 648 . 1 1 60 60 ILE CG2 C 13 16.145 0.162 . 1 . . . A 60 ILE CG2 . 19012 1 649 . 1 1 60 60 ILE CD1 C 13 11.603 0.162 . 1 . . . A 60 ILE CD1 . 19012 1 650 . 1 1 60 60 ILE N N 15 118.464 0.121 . 1 . . . A 60 ILE N . 19012 1 651 . 1 1 61 61 TYR H H 1 9.304 0.006 . 1 . . . A 61 TYR H . 19012 1 652 . 1 1 61 61 TYR HA H 1 4.399 0.006 . 1 . . . A 61 TYR HA . 19012 1 653 . 1 1 61 61 TYR HB2 H 1 2.696 0.006 . 2 . . . A 61 TYR HB2 . 19012 1 654 . 1 1 61 61 TYR HB3 H 1 2.466 0.006 . 2 . . . A 61 TYR HB3 . 19012 1 655 . 1 1 61 61 TYR HD1 H 1 5.720 0.006 . 3 . . . A 61 TYR QD . 19012 1 656 . 1 1 61 61 TYR HD2 H 1 5.720 0.006 . 3 . . . A 61 TYR QD . 19012 1 657 . 1 1 61 61 TYR HE1 H 1 5.856 0.006 . 3 . . . A 61 TYR QE . 19012 1 658 . 1 1 61 61 TYR HE2 H 1 5.856 0.006 . 3 . . . A 61 TYR QE . 19012 1 659 . 1 1 61 61 TYR CA C 13 53.435 0.162 . 1 . . . A 61 TYR CA . 19012 1 660 . 1 1 61 61 TYR CB C 13 37.443 0.162 . 1 . . . A 61 TYR CB . 19012 1 661 . 1 1 61 61 TYR CD1 C 13 130.199 0.162 . 3 . . . A 61 TYR CD1 . 19012 1 662 . 1 1 61 61 TYR CE1 C 13 114.697 0.162 . 3 . . . A 61 TYR CE1 . 19012 1 663 . 1 1 61 61 TYR N N 15 130.267 0.121 . 1 . . . A 61 TYR N . 19012 1 664 . 1 1 62 62 ILE H H 1 8.326 0.006 . 1 . . . A 62 ILE H . 19012 1 665 . 1 1 62 62 ILE HA H 1 4.035 0.006 . 1 . . . A 62 ILE HA . 19012 1 666 . 1 1 62 62 ILE HB H 1 0.260 0.006 . 1 . . . A 62 ILE HB . 19012 1 667 . 1 1 62 62 ILE HG12 H 1 0.318 0.006 . 2 . . . A 62 ILE HG12 . 19012 1 668 . 1 1 62 62 ILE HG13 H 1 0.594 0.006 . 2 . . . A 62 ILE HG13 . 19012 1 669 . 1 1 62 62 ILE HG21 H 1 -0.121 0.006 . 1 . . . A 62 ILE QG2 . 19012 1 670 . 1 1 62 62 ILE HG22 H 1 -0.121 0.006 . 1 . . . A 62 ILE QG2 . 19012 1 671 . 1 1 62 62 ILE HG23 H 1 -0.121 0.006 . 1 . . . A 62 ILE QG2 . 19012 1 672 . 1 1 62 62 ILE HD11 H 1 -0.436 0.006 . 1 . . . A 62 ILE QD1 . 19012 1 673 . 1 1 62 62 ILE HD12 H 1 -0.436 0.006 . 1 . . . A 62 ILE QD1 . 19012 1 674 . 1 1 62 62 ILE HD13 H 1 -0.436 0.006 . 1 . . . A 62 ILE QD1 . 19012 1 675 . 1 1 62 62 ILE CA C 13 55.538 0.162 . 1 . . . A 62 ILE CA . 19012 1 676 . 1 1 62 62 ILE CB C 13 33.654 0.162 . 1 . . . A 62 ILE CB . 19012 1 677 . 1 1 62 62 ILE CG1 C 13 23.324 0.162 . 1 . . . A 62 ILE CG1 . 19012 1 678 . 1 1 62 62 ILE CG2 C 13 14.164 0.162 . 1 . . . A 62 ILE CG2 . 19012 1 679 . 1 1 62 62 ILE CD1 C 13 7.276 0.162 . 1 . . . A 62 ILE CD1 . 19012 1 680 . 1 1 62 62 ILE N N 15 129.152 0.121 . 1 . . . A 62 ILE N . 19012 1 681 . 1 1 63 63 TYR H H 1 8.397 0.006 . 1 . . . A 63 TYR H . 19012 1 682 . 1 1 63 63 TYR HA H 1 4.563 0.006 . 1 . . . A 63 TYR HA . 19012 1 683 . 1 1 63 63 TYR HB2 H 1 2.707 0.006 . 2 . . . A 63 TYR HB2 . 19012 1 684 . 1 1 63 63 TYR HB3 H 1 2.274 0.006 . 2 . . . A 63 TYR HB3 . 19012 1 685 . 1 1 63 63 TYR HD1 H 1 6.729 0.006 . 3 . . . A 63 TYR QD . 19012 1 686 . 1 1 63 63 TYR HD2 H 1 6.729 0.006 . 3 . . . A 63 TYR QD . 19012 1 687 . 1 1 63 63 TYR HE1 H 1 6.436 0.006 . 3 . . . A 63 TYR QE . 19012 1 688 . 1 1 63 63 TYR HE2 H 1 6.436 0.006 . 3 . . . A 63 TYR QE . 19012 1 689 . 1 1 63 63 TYR CA C 13 52.035 0.162 . 1 . . . A 63 TYR CA . 19012 1 690 . 1 1 63 63 TYR CB C 13 36.267 0.162 . 1 . . . A 63 TYR CB . 19012 1 691 . 1 1 63 63 TYR CD1 C 13 132.416 0.162 . 3 . . . A 63 TYR CD1 . 19012 1 692 . 1 1 63 63 TYR CD2 C 13 132.416 0.162 . 3 . . . A 63 TYR CD2 . 19012 1 693 . 1 1 63 63 TYR CE1 C 13 115.368 0.162 . 3 . . . A 63 TYR CE1 . 19012 1 694 . 1 1 63 63 TYR CE2 C 13 115.368 0.162 . 3 . . . A 63 TYR CE2 . 19012 1 695 . 1 1 63 63 TYR N N 15 119.836 0.121 . 1 . . . A 63 TYR N . 19012 1 696 . 1 1 64 64 ASP H H 1 8.570 0.006 . 1 . . . A 64 ASP H . 19012 1 697 . 1 1 64 64 ASP HA H 1 4.270 0.006 . 1 . . . A 64 ASP HA . 19012 1 698 . 1 1 64 64 ASP HB2 H 1 2.906 0.006 . 2 . . . A 64 ASP HB2 . 19012 1 699 . 1 1 64 64 ASP HB3 H 1 2.556 0.006 . 2 . . . A 64 ASP HB3 . 19012 1 700 . 1 1 64 64 ASP CA C 13 51.384 0.162 . 1 . . . A 64 ASP CA . 19012 1 701 . 1 1 64 64 ASP CB C 13 35.510 0.162 . 1 . . . A 64 ASP CB . 19012 1 702 . 1 1 64 64 ASP N N 15 117.747 0.121 . 1 . . . A 64 ASP N . 19012 1 703 . 1 1 65 65 VAL H H 1 8.116 0.006 . 1 . . . A 65 VAL H . 19012 1 704 . 1 1 65 65 VAL HA H 1 4.329 0.006 . 1 . . . A 65 VAL HA . 19012 1 705 . 1 1 65 65 VAL HB H 1 1.837 0.006 . 1 . . . A 65 VAL HB . 19012 1 706 . 1 1 65 65 VAL HG11 H 1 0.882 0.006 . 2 . . . A 65 VAL QG1 . 19012 1 707 . 1 1 65 65 VAL HG12 H 1 0.882 0.006 . 2 . . . A 65 VAL QG1 . 19012 1 708 . 1 1 65 65 VAL HG13 H 1 0.882 0.006 . 2 . . . A 65 VAL QG1 . 19012 1 709 . 1 1 65 65 VAL HG21 H 1 0.734 0.006 . 2 . . . A 65 VAL QG2 . 19012 1 710 . 1 1 65 65 VAL HG22 H 1 0.734 0.006 . 2 . . . A 65 VAL QG2 . 19012 1 711 . 1 1 65 65 VAL HG23 H 1 0.734 0.006 . 2 . . . A 65 VAL QG2 . 19012 1 712 . 1 1 65 65 VAL CA C 13 61.015 0.162 . 1 . . . A 65 VAL CA . 19012 1 713 . 1 1 65 65 VAL CB C 13 29.350 0.162 . 1 . . . A 65 VAL CB . 19012 1 714 . 1 1 65 65 VAL CG1 C 13 20.813 0.162 . 2 . . . A 65 VAL CG1 . 19012 1 715 . 1 1 65 65 VAL CG2 C 13 20.629 0.162 . 2 . . . A 65 VAL CG2 . 19012 1 716 . 1 1 65 65 VAL N N 15 117.619 0.121 . 1 . . . A 65 VAL N . 19012 1 717 . 1 1 66 66 TYR H H 1 8.911 0.006 . 1 . . . A 66 TYR H . 19012 1 718 . 1 1 66 66 TYR HA H 1 4.567 0.006 . 1 . . . A 66 TYR HA . 19012 1 719 . 1 1 66 66 TYR HB2 H 1 2.786 0.006 . 2 . . . A 66 TYR HB2 . 19012 1 720 . 1 1 66 66 TYR HB3 H 1 2.884 0.006 . 2 . . . A 66 TYR HB3 . 19012 1 721 . 1 1 66 66 TYR HD1 H 1 7.067 0.006 . 3 . . . A 66 TYR QD . 19012 1 722 . 1 1 66 66 TYR HD2 H 1 7.067 0.006 . 3 . . . A 66 TYR QD . 19012 1 723 . 1 1 66 66 TYR HE1 H 1 6.785 0.006 . 3 . . . A 66 TYR QE . 19012 1 724 . 1 1 66 66 TYR HE2 H 1 6.785 0.006 . 3 . . . A 66 TYR QE . 19012 1 725 . 1 1 66 66 TYR CA C 13 53.116 0.162 . 1 . . . A 66 TYR CA . 19012 1 726 . 1 1 66 66 TYR CB C 13 39.090 0.162 . 1 . . . A 66 TYR CB . 19012 1 727 . 1 1 66 66 TYR CD1 C 13 131.203 0.162 . 3 . . . A 66 TYR CD1 . 19012 1 728 . 1 1 66 66 TYR CE1 C 13 116.083 0.162 . 3 . . . A 66 TYR CE1 . 19012 1 729 . 1 1 66 66 TYR N N 15 127.317 0.121 . 1 . . . A 66 TYR N . 19012 1 730 . 1 1 67 67 PRO HA H 1 3.778 0.006 . 1 . . . A 67 PRO HA . 19012 1 731 . 1 1 67 67 PRO HB2 H 1 1.749 0.006 . 2 . . . A 67 PRO HB2 . 19012 1 732 . 1 1 67 67 PRO HB3 H 1 1.875 0.006 . 2 . . . A 67 PRO HB3 . 19012 1 733 . 1 1 67 67 PRO HG2 H 1 1.751 0.006 . 2 . . . A 67 PRO HG2 . 19012 1 734 . 1 1 67 67 PRO HG3 H 1 1.823 0.006 . 2 . . . A 67 PRO HG3 . 19012 1 735 . 1 1 67 67 PRO HD2 H 1 3.826 0.006 . 2 . . . A 67 PRO HD2 . 19012 1 736 . 1 1 67 67 PRO HD3 H 1 3.407 0.006 . 2 . . . A 67 PRO HD3 . 19012 1 737 . 1 1 67 67 PRO CA C 13 60.736 0.162 . 1 . . . A 67 PRO CA . 19012 1 738 . 1 1 67 67 PRO CB C 13 32.039 0.162 . 1 . . . A 67 PRO CB . 19012 1 739 . 1 1 67 67 PRO CG C 13 22.072 0.162 . 1 . . . A 67 PRO CG . 19012 1 740 . 1 1 67 67 PRO CD C 13 47.785 0.162 . 1 . . . A 67 PRO CD . 19012 1 741 . 1 1 68 68 ASP H H 1 8.017 0.006 . 1 . . . A 68 ASP H . 19012 1 742 . 1 1 68 68 ASP HA H 1 4.595 0.006 . 1 . . . A 68 ASP HA . 19012 1 743 . 1 1 68 68 ASP HB2 H 1 2.511 0.006 . 2 . . . A 68 ASP QB . 19012 1 744 . 1 1 68 68 ASP HB3 H 1 2.511 0.006 . 2 . . . A 68 ASP QB . 19012 1 745 . 1 1 68 68 ASP CA C 13 51.405 0.162 . 1 . . . A 68 ASP CA . 19012 1 746 . 1 1 68 68 ASP CB C 13 37.732 0.162 . 1 . . . A 68 ASP CB . 19012 1 747 . 1 1 68 68 ASP N N 15 122.446 0.121 . 1 . . . A 68 ASP N . 19012 1 748 . 1 1 69 69 GLU H H 1 8.109 0.006 . 1 . . . A 69 GLU H . 19012 1 749 . 1 1 69 69 GLU HA H 1 4.167 0.006 . 1 . . . A 69 GLU HA . 19012 1 750 . 1 1 69 69 GLU HB2 H 1 1.929 0.006 . 2 . . . A 69 GLU QB . 19012 1 751 . 1 1 69 69 GLU HB3 H 1 1.929 0.006 . 2 . . . A 69 GLU QB . 19012 1 752 . 1 1 69 69 GLU HG2 H 1 2.190 0.006 . 2 . . . A 69 GLU HG2 . 19012 1 753 . 1 1 69 69 GLU HG3 H 1 2.266 0.006 . 2 . . . A 69 GLU HG3 . 19012 1 754 . 1 1 69 69 GLU CA C 13 54.191 0.162 . 1 . . . A 69 GLU CA . 19012 1 755 . 1 1 69 69 GLU CB C 13 27.200 0.162 . 1 . . . A 69 GLU CB . 19012 1 756 . 1 1 69 69 GLU CG C 13 33.643 0.162 . 1 . . . A 69 GLU CG . 19012 1 757 . 1 1 69 69 GLU N N 15 121.842 0.121 . 1 . . . A 69 GLU N . 19012 1 758 . 1 1 70 70 LYS H H 1 7.646 0.006 . 1 . . . A 70 LYS H . 19012 1 759 . 1 1 70 70 LYS HA H 1 4.532 0.006 . 1 . . . A 70 LYS HA . 19012 1 760 . 1 1 70 70 LYS HB2 H 1 1.819 0.006 . 2 . . . A 70 LYS HB2 . 19012 1 761 . 1 1 70 70 LYS HB3 H 1 1.423 0.006 . 2 . . . A 70 LYS HB3 . 19012 1 762 . 1 1 70 70 LYS HG2 H 1 1.334 0.006 . 2 . . . A 70 LYS HG2 . 19012 1 763 . 1 1 70 70 LYS HG3 H 1 1.371 0.006 . 2 . . . A 70 LYS HG3 . 19012 1 764 . 1 1 70 70 LYS HD2 H 1 1.596 0.006 . 2 . . . A 70 LYS QD . 19012 1 765 . 1 1 70 70 LYS HD3 H 1 1.596 0.006 . 2 . . . A 70 LYS QD . 19012 1 766 . 1 1 70 70 LYS HE2 H 1 2.818 0.006 . 2 . . . A 70 LYS QE . 19012 1 767 . 1 1 70 70 LYS HE3 H 1 2.818 0.006 . 2 . . . A 70 LYS QE . 19012 1 768 . 1 1 70 70 LYS CA C 13 52.097 0.162 . 1 . . . A 70 LYS CA . 19012 1 769 . 1 1 70 70 LYS CB C 13 33.247 0.162 . 1 . . . A 70 LYS CB . 19012 1 770 . 1 1 70 70 LYS CG C 13 21.910 0.162 . 1 . . . A 70 LYS CG . 19012 1 771 . 1 1 70 70 LYS CD C 13 26.985 0.162 . 1 . . . A 70 LYS CD . 19012 1 772 . 1 1 70 70 LYS CE C 13 39.700 0.162 . 1 . . . A 70 LYS CE . 19012 1 773 . 1 1 70 70 LYS N N 15 121.975 0.121 . 1 . . . A 70 LYS N . 19012 1 774 . 1 1 71 71 THR H H 1 8.258 0.006 . 1 . . . A 71 THR H . 19012 1 775 . 1 1 71 71 THR HA H 1 4.386 0.006 . 1 . . . A 71 THR HA . 19012 1 776 . 1 1 71 71 THR HB H 1 4.058 0.006 . 1 . . . A 71 THR HB . 19012 1 777 . 1 1 71 71 THR HG21 H 1 1.392 0.006 . 1 . . . A 71 THR QG2 . 19012 1 778 . 1 1 71 71 THR HG22 H 1 1.392 0.006 . 1 . . . A 71 THR QG2 . 19012 1 779 . 1 1 71 71 THR HG23 H 1 1.392 0.006 . 1 . . . A 71 THR QG2 . 19012 1 780 . 1 1 71 71 THR CA C 13 58.759 0.162 . 1 . . . A 71 THR CA . 19012 1 781 . 1 1 71 71 THR CB C 13 66.724 0.162 . 1 . . . A 71 THR CB . 19012 1 782 . 1 1 71 71 THR CG2 C 13 19.314 0.162 . 1 . . . A 71 THR CG2 . 19012 1 783 . 1 1 71 71 THR N N 15 120.177 0.121 . 1 . . . A 71 THR N . 19012 1 784 . 1 1 72 72 PRO HA H 1 4.389 0.006 . 1 . . . A 72 PRO HA . 19012 1 785 . 1 1 72 72 PRO HB2 H 1 2.113 0.006 . 2 . . . A 72 PRO HB2 . 19012 1 786 . 1 1 72 72 PRO HB3 H 1 1.735 0.006 . 2 . . . A 72 PRO HB3 . 19012 1 787 . 1 1 72 72 PRO HG2 H 1 2.121 0.006 . 2 . . . A 72 PRO HG2 . 19012 1 788 . 1 1 72 72 PRO HG3 H 1 1.991 0.006 . 2 . . . A 72 PRO HG3 . 19012 1 789 . 1 1 72 72 PRO HD2 H 1 4.054 0.006 . 2 . . . A 72 PRO HD2 . 19012 1 790 . 1 1 72 72 PRO HD3 H 1 3.660 0.006 . 2 . . . A 72 PRO HD3 . 19012 1 791 . 1 1 72 72 PRO CA C 13 61.688 0.162 . 1 . . . A 72 PRO CA . 19012 1 792 . 1 1 72 72 PRO CB C 13 31.440 0.162 . 1 . . . A 72 PRO CB . 19012 1 793 . 1 1 72 72 PRO CG C 13 25.976 0.162 . 1 . . . A 72 PRO CG . 19012 1 794 . 1 1 72 72 PRO CD C 13 48.734 0.162 . 1 . . . A 72 PRO CD . 19012 1 795 . 1 1 73 73 TYR H H 1 7.988 0.006 . 1 . . . A 73 TYR H . 19012 1 796 . 1 1 73 73 TYR HA H 1 4.857 0.006 . 1 . . . A 73 TYR HA . 19012 1 797 . 1 1 73 73 TYR HB2 H 1 2.865 0.006 . 2 . . . A 73 TYR HB2 . 19012 1 798 . 1 1 73 73 TYR HB3 H 1 2.915 0.006 . 2 . . . A 73 TYR HB3 . 19012 1 799 . 1 1 73 73 TYR HD1 H 1 6.966 0.006 . 3 . . . A 73 TYR QD . 19012 1 800 . 1 1 73 73 TYR HD2 H 1 6.966 0.006 . 3 . . . A 73 TYR QD . 19012 1 801 . 1 1 73 73 TYR HE1 H 1 6.276 0.006 . 3 . . . A 73 TYR QE . 19012 1 802 . 1 1 73 73 TYR HE2 H 1 6.276 0.006 . 3 . . . A 73 TYR QE . 19012 1 803 . 1 1 73 73 TYR CA C 13 52.643 0.162 . 1 . . . A 73 TYR CA . 19012 1 804 . 1 1 73 73 TYR CB C 13 37.470 0.162 . 1 . . . A 73 TYR CB . 19012 1 805 . 1 1 73 73 TYR CD2 C 13 131.585 0.162 . 3 . . . A 73 TYR CD2 . 19012 1 806 . 1 1 73 73 TYR CE2 C 13 114.787 0.162 . 3 . . . A 73 TYR CE2 . 19012 1 807 . 1 1 73 73 TYR N N 15 118.747 0.121 . 1 . . . A 73 TYR N . 19012 1 808 . 1 1 74 74 TYR H H 1 8.370 0.006 . 1 . . . A 74 TYR H . 19012 1 809 . 1 1 74 74 TYR HA H 1 5.548 0.006 . 1 . . . A 74 TYR HA . 19012 1 810 . 1 1 74 74 TYR HB2 H 1 2.675 0.006 . 2 . . . A 74 TYR HB2 . 19012 1 811 . 1 1 74 74 TYR HB3 H 1 2.488 0.006 . 2 . . . A 74 TYR HB3 . 19012 1 812 . 1 1 74 74 TYR HD1 H 1 6.903 0.006 . 3 . . . A 74 TYR QD . 19012 1 813 . 1 1 74 74 TYR HD2 H 1 6.903 0.006 . 3 . . . A 74 TYR QD . 19012 1 814 . 1 1 74 74 TYR HE1 H 1 6.577 0.006 . 3 . . . A 74 TYR QE . 19012 1 815 . 1 1 74 74 TYR HE2 H 1 6.577 0.006 . 3 . . . A 74 TYR QE . 19012 1 816 . 1 1 74 74 TYR CA C 13 53.855 0.162 . 1 . . . A 74 TYR CA . 19012 1 817 . 1 1 74 74 TYR CB C 13 39.316 0.162 . 1 . . . A 74 TYR CB . 19012 1 818 . 1 1 74 74 TYR CD1 C 13 130.474 0.162 . 3 . . . A 74 TYR CD1 . 19012 1 819 . 1 1 74 74 TYR CD2 C 13 130.474 0.162 . 3 . . . A 74 TYR CD2 . 19012 1 820 . 1 1 74 74 TYR CE1 C 13 115.745 0.162 . 3 . . . A 74 TYR CE1 . 19012 1 821 . 1 1 74 74 TYR CE2 C 13 115.745 0.162 . 3 . . . A 74 TYR CE2 . 19012 1 822 . 1 1 74 74 TYR N N 15 114.692 0.121 . 1 . . . A 74 TYR N . 19012 1 823 . 1 1 75 75 LEU H H 1 9.467 0.006 . 1 . . . A 75 LEU H . 19012 1 824 . 1 1 75 75 LEU HA H 1 4.456 0.006 . 1 . . . A 75 LEU HA . 19012 1 825 . 1 1 75 75 LEU HB2 H 1 1.478 0.006 . 2 . . . A 75 LEU HB2 . 19012 1 826 . 1 1 75 75 LEU HB3 H 1 0.976 0.006 . 2 . . . A 75 LEU HB3 . 19012 1 827 . 1 1 75 75 LEU HG H 1 1.292 0.006 . 1 . . . A 75 LEU HG . 19012 1 828 . 1 1 75 75 LEU HD11 H 1 0.401 0.006 . 2 . . . A 75 LEU QD1 . 19012 1 829 . 1 1 75 75 LEU HD12 H 1 0.401 0.006 . 2 . . . A 75 LEU QD1 . 19012 1 830 . 1 1 75 75 LEU HD13 H 1 0.401 0.006 . 2 . . . A 75 LEU QD1 . 19012 1 831 . 1 1 75 75 LEU HD21 H 1 0.714 0.006 . 2 . . . A 75 LEU QD2 . 19012 1 832 . 1 1 75 75 LEU HD22 H 1 0.714 0.006 . 2 . . . A 75 LEU QD2 . 19012 1 833 . 1 1 75 75 LEU HD23 H 1 0.714 0.006 . 2 . . . A 75 LEU QD2 . 19012 1 834 . 1 1 75 75 LEU CA C 13 50.648 0.162 . 1 . . . A 75 LEU CA . 19012 1 835 . 1 1 75 75 LEU CB C 13 41.979 0.162 . 1 . . . A 75 LEU CB . 19012 1 836 . 1 1 75 75 LEU CG C 13 23.380 0.162 . 1 . . . A 75 LEU CG . 19012 1 837 . 1 1 75 75 LEU CD1 C 13 22.275 0.162 . 2 . . . A 75 LEU CD1 . 19012 1 838 . 1 1 75 75 LEU CD2 C 13 20.359 0.162 . 2 . . . A 75 LEU CD2 . 19012 1 839 . 1 1 75 75 LEU N N 15 120.717 0.121 . 1 . . . A 75 LEU N . 19012 1 840 . 1 1 76 76 ASP H H 1 7.825 0.006 . 1 . . . A 76 ASP H . 19012 1 841 . 1 1 76 76 ASP HA H 1 5.041 0.006 . 1 . . . A 76 ASP HA . 19012 1 842 . 1 1 76 76 ASP HB2 H 1 2.360 0.006 . 2 . . . A 76 ASP HB2 . 19012 1 843 . 1 1 76 76 ASP HB3 H 1 2.525 0.006 . 2 . . . A 76 ASP HB3 . 19012 1 844 . 1 1 76 76 ASP CA C 13 51.324 0.162 . 1 . . . A 76 ASP CA . 19012 1 845 . 1 1 76 76 ASP CB C 13 39.376 0.162 . 1 . . . A 76 ASP CB . 19012 1 846 . 1 1 76 76 ASP N N 15 123.675 0.121 . 1 . . . A 76 ASP N . 19012 1 847 . 1 1 77 77 CYS H H 1 8.504 0.006 . 1 . . . A 77 CYS H . 19012 1 848 . 1 1 77 77 CYS HA H 1 5.514 0.006 . 1 . . . A 77 CYS HA . 19012 1 849 . 1 1 77 77 CYS HB2 H 1 2.510 0.006 . 2 . . . A 77 CYS HB2 . 19012 1 850 . 1 1 77 77 CYS HB3 H 1 2.356 0.006 . 2 . . . A 77 CYS HB3 . 19012 1 851 . 1 1 77 77 CYS CA C 13 53.205 0.162 . 1 . . . A 77 CYS CA . 19012 1 852 . 1 1 77 77 CYS CB C 13 30.347 0.162 . 1 . . . A 77 CYS CB . 19012 1 853 . 1 1 77 77 CYS N N 15 118.147 0.121 . 1 . . . A 77 CYS N . 19012 1 854 . 1 1 78 78 LYS H H 1 8.483 0.006 . 1 . . . A 78 LYS H . 19012 1 855 . 1 1 78 78 LYS HA H 1 4.398 0.006 . 1 . . . A 78 LYS HA . 19012 1 856 . 1 1 78 78 LYS HB2 H 1 1.018 0.006 . 2 . . . A 78 LYS HB2 . 19012 1 857 . 1 1 78 78 LYS HB3 H 1 0.643 0.006 . 2 . . . A 78 LYS HB3 . 19012 1 858 . 1 1 78 78 LYS HG2 H 1 0.970 0.006 . 2 . . . A 78 LYS HG2 . 19012 1 859 . 1 1 78 78 LYS HG3 H 1 0.888 0.006 . 2 . . . A 78 LYS HG3 . 19012 1 860 . 1 1 78 78 LYS HD2 H 1 0.970 0.006 . 2 . . . A 78 LYS HD2 . 19012 1 861 . 1 1 78 78 LYS HD3 H 1 0.894 0.006 . 2 . . . A 78 LYS HD3 . 19012 1 862 . 1 1 78 78 LYS HE2 H 1 2.507 0.006 . 2 . . . A 78 LYS HE2 . 19012 1 863 . 1 1 78 78 LYS HE3 H 1 2.480 0.006 . 2 . . . A 78 LYS HE3 . 19012 1 864 . 1 1 78 78 LYS CA C 13 52.033 0.162 . 1 . . . A 78 LYS CA . 19012 1 865 . 1 1 78 78 LYS CB C 13 33.618 0.162 . 1 . . . A 78 LYS CB . 19012 1 866 . 1 1 78 78 LYS CG C 13 22.036 0.162 . 1 . . . A 78 LYS CG . 19012 1 867 . 1 1 78 78 LYS CD C 13 26.072 0.162 . 1 . . . A 78 LYS CD . 19012 1 868 . 1 1 78 78 LYS CE C 13 39.403 0.162 . 1 . . . A 78 LYS CE . 19012 1 869 . 1 1 78 78 LYS N N 15 119.791 0.121 . 1 . . . A 78 LYS N . 19012 1 870 . 1 1 79 79 ILE H H 1 8.923 0.006 . 1 . . . A 79 ILE H . 19012 1 871 . 1 1 79 79 ILE HA H 1 5.410 0.006 . 1 . . . A 79 ILE HA . 19012 1 872 . 1 1 79 79 ILE HB H 1 1.171 0.006 . 1 . . . A 79 ILE HB . 19012 1 873 . 1 1 79 79 ILE HG12 H 1 1.138 0.006 . 2 . . . A 79 ILE HG12 . 19012 1 874 . 1 1 79 79 ILE HG13 H 1 1.493 0.006 . 2 . . . A 79 ILE HG13 . 19012 1 875 . 1 1 79 79 ILE HG21 H 1 0.669 0.006 . 1 . . . A 79 ILE QG2 . 19012 1 876 . 1 1 79 79 ILE HG22 H 1 0.669 0.006 . 1 . . . A 79 ILE QG2 . 19012 1 877 . 1 1 79 79 ILE HG23 H 1 0.669 0.006 . 1 . . . A 79 ILE QG2 . 19012 1 878 . 1 1 79 79 ILE HD11 H 1 0.586 0.006 . 1 . . . A 79 ILE QD1 . 19012 1 879 . 1 1 79 79 ILE HD12 H 1 0.586 0.006 . 1 . . . A 79 ILE QD1 . 19012 1 880 . 1 1 79 79 ILE HD13 H 1 0.586 0.006 . 1 . . . A 79 ILE QD1 . 19012 1 881 . 1 1 79 79 ILE CA C 13 56.581 0.162 . 1 . . . A 79 ILE CA . 19012 1 882 . 1 1 79 79 ILE CB C 13 41.302 0.162 . 1 . . . A 79 ILE CB . 19012 1 883 . 1 1 79 79 ILE CG1 C 13 26.813 0.162 . 1 . . . A 79 ILE CG1 . 19012 1 884 . 1 1 79 79 ILE CG2 C 13 13.204 0.162 . 1 . . . A 79 ILE CG2 . 19012 1 885 . 1 1 79 79 ILE CD1 C 13 12.673 0.162 . 1 . . . A 79 ILE CD1 . 19012 1 886 . 1 1 79 79 ILE N N 15 122.179 0.121 . 1 . . . A 79 ILE N . 19012 1 887 . 1 1 80 80 SER H H 1 9.150 0.006 . 1 . . . A 80 SER H . 19012 1 888 . 1 1 80 80 SER HA H 1 4.760 0.006 . 1 . . . A 80 SER HA . 19012 1 889 . 1 1 80 80 SER HB2 H 1 3.187 0.006 . 2 . . . A 80 SER HB2 . 19012 1 890 . 1 1 80 80 SER HB3 H 1 3.526 0.006 . 2 . . . A 80 SER HB3 . 19012 1 891 . 1 1 80 80 SER CB C 13 62.504 0.162 . 1 . . . A 80 SER CB . 19012 1 892 . 1 1 80 80 SER N N 15 122.640 0.121 . 1 . . . A 80 SER N . 19012 1 893 . 1 1 81 81 GLY H H 1 8.832 0.006 . 1 . . . A 81 GLY H . 19012 1 894 . 1 1 81 81 GLY HA2 H 1 3.843 0.006 . 2 . . . A 81 GLY HA2 . 19012 1 895 . 1 1 81 81 GLY HA3 H 1 4.095 0.006 . 2 . . . A 81 GLY HA3 . 19012 1 896 . 1 1 81 81 GLY CA C 13 44.910 0.162 . 1 . . . A 81 GLY CA . 19012 1 897 . 1 1 81 81 GLY N N 15 111.781 0.121 . 1 . . . A 81 GLY N . 19012 1 898 . 1 1 82 82 THR H H 1 8.284 0.006 . 1 . . . A 82 THR H . 19012 1 899 . 1 1 82 82 THR HA H 1 4.541 0.006 . 1 . . . A 82 THR HA . 19012 1 900 . 1 1 82 82 THR HG21 H 1 1.151 0.006 . 1 . . . A 82 THR QG2 . 19012 1 901 . 1 1 82 82 THR HG22 H 1 1.151 0.006 . 1 . . . A 82 THR QG2 . 19012 1 902 . 1 1 82 82 THR HG23 H 1 1.151 0.006 . 1 . . . A 82 THR QG2 . 19012 1 903 . 1 1 82 82 THR CA C 13 58.833 0.162 . 1 . . . A 82 THR CA . 19012 1 904 . 1 1 82 82 THR CG2 C 13 19.028 0.162 . 1 . . . A 82 THR CG2 . 19012 1 905 . 1 1 82 82 THR N N 15 110.902 0.121 . 1 . . . A 82 THR N . 19012 1 906 . 1 1 83 83 THR H H 1 8.178 0.006 . 1 . . . A 83 THR H . 19012 1 907 . 1 1 83 83 THR HA H 1 5.576 0.006 . 1 . . . A 83 THR HA . 19012 1 908 . 1 1 83 83 THR HB H 1 4.119 0.006 . 1 . . . A 83 THR HB . 19012 1 909 . 1 1 83 83 THR HG21 H 1 1.346 0.006 . 1 . . . A 83 THR QG2 . 19012 1 910 . 1 1 83 83 THR HG22 H 1 1.346 0.006 . 1 . . . A 83 THR QG2 . 19012 1 911 . 1 1 83 83 THR HG23 H 1 1.346 0.006 . 1 . . . A 83 THR QG2 . 19012 1 912 . 1 1 83 83 THR CA C 13 59.711 0.162 . 1 . . . A 83 THR CA . 19012 1 913 . 1 1 83 83 THR CB C 13 68.486 0.162 . 1 . . . A 83 THR CB . 19012 1 914 . 1 1 83 83 THR CG2 C 13 19.768 0.162 . 1 . . . A 83 THR CG2 . 19012 1 915 . 1 1 83 83 THR N N 15 119.808 0.121 . 1 . . . A 83 THR N . 19012 1 916 . 1 1 84 84 LEU H H 1 9.103 0.006 . 1 . . . A 84 LEU H . 19012 1 917 . 1 1 84 84 LEU HA H 1 4.787 0.006 . 1 . . . A 84 LEU HA . 19012 1 918 . 1 1 84 84 LEU HB2 H 1 0.973 0.006 . 2 . . . A 84 LEU HB2 . 19012 1 919 . 1 1 84 84 LEU HB3 H 1 -0.224 0.006 . 2 . . . A 84 LEU HB3 . 19012 1 920 . 1 1 84 84 LEU HG H 1 0.690 0.006 . 1 . . . A 84 LEU HG . 19012 1 921 . 1 1 84 84 LEU HD11 H 1 0.065 0.006 . 2 . . . A 84 LEU QD1 . 19012 1 922 . 1 1 84 84 LEU HD12 H 1 0.065 0.006 . 2 . . . A 84 LEU QD1 . 19012 1 923 . 1 1 84 84 LEU HD13 H 1 0.065 0.006 . 2 . . . A 84 LEU QD1 . 19012 1 924 . 1 1 84 84 LEU HD21 H 1 -0.637 0.006 . 2 . . . A 84 LEU QD2 . 19012 1 925 . 1 1 84 84 LEU HD22 H 1 -0.637 0.006 . 2 . . . A 84 LEU QD2 . 19012 1 926 . 1 1 84 84 LEU HD23 H 1 -0.637 0.006 . 2 . . . A 84 LEU QD2 . 19012 1 927 . 1 1 84 84 LEU CA C 13 50.979 0.162 . 1 . . . A 84 LEU CA . 19012 1 928 . 1 1 84 84 LEU CB C 13 43.114 0.162 . 1 . . . A 84 LEU CB . 19012 1 929 . 1 1 84 84 LEU CG C 13 24.380 0.162 . 1 . . . A 84 LEU CG . 19012 1 930 . 1 1 84 84 LEU CD1 C 13 20.221 0.162 . 2 . . . A 84 LEU CD1 . 19012 1 931 . 1 1 84 84 LEU CD2 C 13 22.440 0.162 . 2 . . . A 84 LEU CD2 . 19012 1 932 . 1 1 84 84 LEU N N 15 128.946 0.121 . 1 . . . A 84 LEU N . 19012 1 933 . 1 1 85 85 LYS H H 1 9.336 0.006 . 1 . . . A 85 LYS H . 19012 1 934 . 1 1 85 85 LYS HA H 1 5.220 0.006 . 1 . . . A 85 LYS HA . 19012 1 935 . 1 1 85 85 LYS HB2 H 1 1.382 0.006 . 2 . . . A 85 LYS HB2 . 19012 1 936 . 1 1 85 85 LYS HB3 H 1 1.433 0.006 . 2 . . . A 85 LYS HB3 . 19012 1 937 . 1 1 85 85 LYS HG2 H 1 1.245 0.006 . 2 . . . A 85 LYS HG2 . 19012 1 938 . 1 1 85 85 LYS HG3 H 1 0.926 0.006 . 2 . . . A 85 LYS HG3 . 19012 1 939 . 1 1 85 85 LYS HD2 H 1 1.450 0.006 . 2 . . . A 85 LYS HD2 . 19012 1 940 . 1 1 85 85 LYS HD3 H 1 1.309 0.006 . 2 . . . A 85 LYS HD3 . 19012 1 941 . 1 1 85 85 LYS HE2 H 1 2.713 0.006 . 2 . . . A 85 LYS HE2 . 19012 1 942 . 1 1 85 85 LYS HE3 H 1 2.610 0.006 . 2 . . . A 85 LYS HE3 . 19012 1 943 . 1 1 85 85 LYS CA C 13 52.028 0.162 . 1 . . . A 85 LYS CA . 19012 1 944 . 1 1 85 85 LYS CB C 13 32.656 0.162 . 1 . . . A 85 LYS CB . 19012 1 945 . 1 1 85 85 LYS CG C 13 22.897 0.162 . 1 . . . A 85 LYS CG . 19012 1 946 . 1 1 85 85 LYS CD C 13 27.209 0.162 . 1 . . . A 85 LYS CD . 19012 1 947 . 1 1 85 85 LYS CE C 13 39.426 0.162 . 1 . . . A 85 LYS CE . 19012 1 948 . 1 1 85 85 LYS N N 15 129.439 0.121 . 1 . . . A 85 LYS N . 19012 1 949 . 1 1 86 86 VAL H H 1 9.122 0.006 . 1 . . . A 86 VAL H . 19012 1 950 . 1 1 86 86 VAL HA H 1 4.279 0.006 . 1 . . . A 86 VAL HA . 19012 1 951 . 1 1 86 86 VAL HB H 1 2.278 0.006 . 1 . . . A 86 VAL HB . 19012 1 952 . 1 1 86 86 VAL HG11 H 1 0.915 0.006 . 2 . . . A 86 VAL QG1 . 19012 1 953 . 1 1 86 86 VAL HG12 H 1 0.915 0.006 . 2 . . . A 86 VAL QG1 . 19012 1 954 . 1 1 86 86 VAL HG13 H 1 0.915 0.006 . 2 . . . A 86 VAL QG1 . 19012 1 955 . 1 1 86 86 VAL HG21 H 1 0.514 0.006 . 2 . . . A 86 VAL QG2 . 19012 1 956 . 1 1 86 86 VAL HG22 H 1 0.514 0.006 . 2 . . . A 86 VAL QG2 . 19012 1 957 . 1 1 86 86 VAL HG23 H 1 0.514 0.006 . 2 . . . A 86 VAL QG2 . 19012 1 958 . 1 1 86 86 VAL CA C 13 59.179 0.162 . 1 . . . A 86 VAL CA . 19012 1 959 . 1 1 86 86 VAL CB C 13 29.826 0.162 . 1 . . . A 86 VAL CB . 19012 1 960 . 1 1 86 86 VAL CG1 C 13 20.304 0.162 . 2 . . . A 86 VAL CG1 . 19012 1 961 . 1 1 86 86 VAL CG2 C 13 18.557 0.162 . 2 . . . A 86 VAL CG2 . 19012 1 962 . 1 1 86 86 VAL N N 15 127.719 0.121 . 1 . . . A 86 VAL N . 19012 1 963 . 1 1 87 87 GLU H H 1 8.960 0.006 . 1 . . . A 87 GLU H . 19012 1 964 . 1 1 87 87 GLU HA H 1 4.215 0.006 . 1 . . . A 87 GLU HA . 19012 1 965 . 1 1 87 87 GLU HB2 H 1 1.726 0.006 . 2 . . . A 87 GLU HB2 . 19012 1 966 . 1 1 87 87 GLU HB3 H 1 2.097 0.006 . 2 . . . A 87 GLU HB3 . 19012 1 967 . 1 1 87 87 GLU HG2 H 1 1.873 0.006 . 2 . . . A 87 GLU HG2 . 19012 1 968 . 1 1 87 87 GLU HG3 H 1 2.026 0.006 . 2 . . . A 87 GLU HG3 . 19012 1 969 . 1 1 87 87 GLU CA C 13 55.427 0.162 . 1 . . . A 87 GLU CA . 19012 1 970 . 1 1 87 87 GLU CB C 13 29.038 0.162 . 1 . . . A 87 GLU CB . 19012 1 971 . 1 1 87 87 GLU CG C 13 33.627 0.162 . 1 . . . A 87 GLU CG . 19012 1 972 . 1 1 87 87 GLU N N 15 126.504 0.121 . 1 . . . A 87 GLU N . 19012 1 973 . 1 1 88 88 THR H H 1 7.079 0.006 . 1 . . . A 88 THR H . 19012 1 974 . 1 1 88 88 THR HA H 1 4.560 0.006 . 1 . . . A 88 THR HA . 19012 1 975 . 1 1 88 88 THR HB H 1 4.196 0.006 . 1 . . . A 88 THR HB . 19012 1 976 . 1 1 88 88 THR HG21 H 1 1.200 0.006 . 1 . . . A 88 THR QG2 . 19012 1 977 . 1 1 88 88 THR HG22 H 1 1.200 0.006 . 1 . . . A 88 THR QG2 . 19012 1 978 . 1 1 88 88 THR HG23 H 1 1.200 0.006 . 1 . . . A 88 THR QG2 . 19012 1 979 . 1 1 88 88 THR CA C 13 57.802 0.162 . 1 . . . A 88 THR CA . 19012 1 980 . 1 1 88 88 THR CB C 13 69.805 0.162 . 1 . . . A 88 THR CB . 19012 1 981 . 1 1 88 88 THR CG2 C 13 19.800 0.162 . 1 . . . A 88 THR CG2 . 19012 1 982 . 1 1 88 88 THR N N 15 109.146 0.121 . 1 . . . A 88 THR N . 19012 1 983 . 1 1 89 89 GLY H H 1 7.984 0.006 . 1 . . . A 89 GLY H . 19012 1 984 . 1 1 89 89 GLY HA2 H 1 3.723 0.006 . 2 . . . A 89 GLY HA2 . 19012 1 985 . 1 1 89 89 GLY HA3 H 1 4.140 0.006 . 2 . . . A 89 GLY HA3 . 19012 1 986 . 1 1 89 89 GLY CA C 13 42.083 0.162 . 1 . . . A 89 GLY CA . 19012 1 987 . 1 1 89 89 GLY N N 15 102.665 0.121 . 1 . . . A 89 GLY N . 19012 1 988 . 1 1 90 90 SER H H 1 8.854 0.006 . 1 . . . A 90 SER H . 19012 1 989 . 1 1 90 90 SER HA H 1 4.103 0.006 . 1 . . . A 90 SER HA . 19012 1 990 . 1 1 90 90 SER HB2 H 1 3.768 0.006 . 2 . . . A 90 SER HB2 . 19012 1 991 . 1 1 90 90 SER HB3 H 1 3.632 0.006 . 2 . . . A 90 SER HB3 . 19012 1 992 . 1 1 90 90 SER CA C 13 58.840 0.162 . 1 . . . A 90 SER CA . 19012 1 993 . 1 1 90 90 SER CB C 13 60.079 0.162 . 1 . . . A 90 SER CB . 19012 1 994 . 1 1 90 90 SER N N 15 118.973 0.121 . 1 . . . A 90 SER N . 19012 1 995 . 1 1 91 91 GLU H H 1 10.220 0.006 . 1 . . . A 91 GLU H . 19012 1 996 . 1 1 91 91 GLU HA H 1 3.676 0.006 . 1 . . . A 91 GLU HA . 19012 1 997 . 1 1 91 91 GLU HB2 H 1 1.706 0.006 . 2 . . . A 91 GLU HB2 . 19012 1 998 . 1 1 91 91 GLU HB3 H 1 1.430 0.006 . 2 . . . A 91 GLU HB3 . 19012 1 999 . 1 1 91 91 GLU HG2 H 1 1.445 0.006 . 2 . . . A 91 GLU HG2 . 19012 1 1000 . 1 1 91 91 GLU HG3 H 1 -0.096 0.006 . 2 . . . A 91 GLU HG3 . 19012 1 1001 . 1 1 91 91 GLU CA C 13 54.571 0.162 . 1 . . . A 91 GLU CA . 19012 1 1002 . 1 1 91 91 GLU CB C 13 26.627 0.162 . 1 . . . A 91 GLU CB . 19012 1 1003 . 1 1 91 91 GLU CG C 13 32.307 0.162 . 1 . . . A 91 GLU CG . 19012 1 1004 . 1 1 91 91 GLU N N 15 120.699 0.121 . 1 . . . A 91 GLU N . 19012 1 1005 . 1 1 92 92 ALA H H 1 7.014 0.006 . 1 . . . A 92 ALA H . 19012 1 1006 . 1 1 92 92 ALA HA H 1 3.691 0.006 . 1 . . . A 92 ALA HA . 19012 1 1007 . 1 1 92 92 ALA HB1 H 1 1.082 0.006 . 1 . . . A 92 ALA QB . 19012 1 1008 . 1 1 92 92 ALA HB2 H 1 1.082 0.006 . 1 . . . A 92 ALA QB . 19012 1 1009 . 1 1 92 92 ALA HB3 H 1 1.082 0.006 . 1 . . . A 92 ALA QB . 19012 1 1010 . 1 1 92 92 ALA CA C 13 50.916 0.162 . 1 . . . A 92 ALA CA . 19012 1 1011 . 1 1 92 92 ALA CB C 13 16.118 0.162 . 1 . . . A 92 ALA CB . 19012 1 1012 . 1 1 92 92 ALA N N 15 121.411 0.121 . 1 . . . A 92 ALA N . 19012 1 1013 . 1 1 93 93 GLY H H 1 8.706 0.006 . 1 . . . A 93 GLY H . 19012 1 1014 . 1 1 93 93 GLY HA2 H 1 3.891 0.006 . 2 . . . A 93 GLY HA2 . 19012 1 1015 . 1 1 93 93 GLY HA3 H 1 3.940 0.006 . 2 . . . A 93 GLY HA3 . 19012 1 1016 . 1 1 93 93 GLY CA C 13 42.601 0.162 . 1 . . . A 93 GLY CA . 19012 1 1017 . 1 1 93 93 GLY N N 15 109.056 0.121 . 1 . . . A 93 GLY N . 19012 1 1018 . 1 1 94 94 THR H H 1 8.637 0.006 . 1 . . . A 94 THR H . 19012 1 1019 . 1 1 94 94 THR HA H 1 4.831 0.006 . 1 . . . A 94 THR HA . 19012 1 1020 . 1 1 94 94 THR HB H 1 4.514 0.006 . 1 . . . A 94 THR HB . 19012 1 1021 . 1 1 94 94 THR HG21 H 1 1.153 0.006 . 1 . . . A 94 THR QG2 . 19012 1 1022 . 1 1 94 94 THR HG22 H 1 1.153 0.006 . 1 . . . A 94 THR QG2 . 19012 1 1023 . 1 1 94 94 THR HG23 H 1 1.153 0.006 . 1 . . . A 94 THR QG2 . 19012 1 1024 . 1 1 94 94 THR CA C 13 60.491 0.162 . 1 . . . A 94 THR CA . 19012 1 1025 . 1 1 94 94 THR CB C 13 66.403 0.162 . 1 . . . A 94 THR CB . 19012 1 1026 . 1 1 94 94 THR CG2 C 13 19.484 0.162 . 1 . . . A 94 THR CG2 . 19012 1 1027 . 1 1 94 94 THR N N 15 117.255 0.121 . 1 . . . A 94 THR N . 19012 1 1028 . 1 1 95 95 TYR H H 1 10.060 0.006 . 1 . . . A 95 TYR H . 19012 1 1029 . 1 1 95 95 TYR HA H 1 4.564 0.006 . 1 . . . A 95 TYR HA . 19012 1 1030 . 1 1 95 95 TYR HB2 H 1 3.089 0.006 . 2 . . . A 95 TYR HB2 . 19012 1 1031 . 1 1 95 95 TYR HB3 H 1 3.416 0.006 . 2 . . . A 95 TYR HB3 . 19012 1 1032 . 1 1 95 95 TYR HD1 H 1 6.981 0.006 . 3 . . . A 95 TYR QD . 19012 1 1033 . 1 1 95 95 TYR HD2 H 1 6.981 0.006 . 3 . . . A 95 TYR QD . 19012 1 1034 . 1 1 95 95 TYR HE1 H 1 7.034 0.006 . 3 . . . A 95 TYR QE . 19012 1 1035 . 1 1 95 95 TYR HE2 H 1 7.034 0.006 . 3 . . . A 95 TYR QE . 19012 1 1036 . 1 1 95 95 TYR CA C 13 53.889 0.162 . 1 . . . A 95 TYR CA . 19012 1 1037 . 1 1 95 95 TYR CB C 13 39.733 0.162 . 1 . . . A 95 TYR CB . 19012 1 1038 . 1 1 95 95 TYR CD1 C 13 131.177 0.162 . 3 . . . A 95 TYR CD1 . 19012 1 1039 . 1 1 95 95 TYR CE1 C 13 116.901 0.162 . 3 . . . A 95 TYR CE1 . 19012 1 1040 . 1 1 95 95 TYR N N 15 127.051 0.121 . 1 . . . A 95 TYR N . 19012 1 1041 . 1 1 96 96 LYS H H 1 8.960 0.006 . 1 . . . A 96 LYS H . 19012 1 1042 . 1 1 96 96 LYS HA H 1 5.668 0.006 . 1 . . . A 96 LYS HA . 19012 1 1043 . 1 1 96 96 LYS HB2 H 1 1.903 0.006 . 2 . . . A 96 LYS QB . 19012 1 1044 . 1 1 96 96 LYS HB3 H 1 1.903 0.006 . 2 . . . A 96 LYS QB . 19012 1 1045 . 1 1 96 96 LYS HG2 H 1 1.570 0.006 . 2 . . . A 96 LYS QG . 19012 1 1046 . 1 1 96 96 LYS HG3 H 1 1.570 0.006 . 2 . . . A 96 LYS QG . 19012 1 1047 . 1 1 96 96 LYS HD2 H 1 1.798 0.006 . 2 . . . A 96 LYS HD2 . 19012 1 1048 . 1 1 96 96 LYS HD3 H 1 1.709 0.006 . 2 . . . A 96 LYS HD3 . 19012 1 1049 . 1 1 96 96 LYS HE2 H 1 2.970 0.006 . 2 . . . A 96 LYS QE . 19012 1 1050 . 1 1 96 96 LYS HE3 H 1 2.970 0.006 . 2 . . . A 96 LYS QE . 19012 1 1051 . 1 1 96 96 LYS CA C 13 50.781 0.162 . 1 . . . A 96 LYS CA . 19012 1 1052 . 1 1 96 96 LYS CB C 13 31.840 0.162 . 1 . . . A 96 LYS CB . 19012 1 1053 . 1 1 96 96 LYS CG C 13 22.005 0.162 . 1 . . . A 96 LYS CG . 19012 1 1054 . 1 1 96 96 LYS CD C 13 25.950 0.162 . 1 . . . A 96 LYS CD . 19012 1 1055 . 1 1 96 96 LYS CE C 13 39.657 0.162 . 1 . . . A 96 LYS CE . 19012 1 1056 . 1 1 96 96 LYS N N 15 119.487 0.121 . 1 . . . A 96 LYS N . 19012 1 1057 . 1 1 97 97 LYS H H 1 8.729 0.006 . 1 . . . A 97 LYS H . 19012 1 1058 . 1 1 97 97 LYS HA H 1 3.701 0.006 . 1 . . . A 97 LYS HA . 19012 1 1059 . 1 1 97 97 LYS HB2 H 1 0.960 0.006 . 2 . . . A 97 LYS HB2 . 19012 1 1060 . 1 1 97 97 LYS HB3 H 1 1.342 0.006 . 2 . . . A 97 LYS HB3 . 19012 1 1061 . 1 1 97 97 LYS HG2 H 1 -0.201 0.006 . 2 . . . A 97 LYS HG2 . 19012 1 1062 . 1 1 97 97 LYS HG3 H 1 0.890 0.006 . 2 . . . A 97 LYS HG3 . 19012 1 1063 . 1 1 97 97 LYS HD2 H 1 1.148 0.006 . 2 . . . A 97 LYS QD . 19012 1 1064 . 1 1 97 97 LYS HD3 H 1 1.148 0.006 . 2 . . . A 97 LYS QD . 19012 1 1065 . 1 1 97 97 LYS HE2 H 1 2.658 0.006 . 2 . . . A 97 LYS QE . 19012 1 1066 . 1 1 97 97 LYS HE3 H 1 2.658 0.006 . 2 . . . A 97 LYS QE . 19012 1 1067 . 1 1 97 97 LYS CA C 13 55.022 0.162 . 1 . . . A 97 LYS CA . 19012 1 1068 . 1 1 97 97 LYS CB C 13 30.744 0.162 . 1 . . . A 97 LYS CB . 19012 1 1069 . 1 1 97 97 LYS CG C 13 22.580 0.162 . 1 . . . A 97 LYS CG . 19012 1 1070 . 1 1 97 97 LYS CD C 13 26.745 0.162 . 1 . . . A 97 LYS CD . 19012 1 1071 . 1 1 97 97 LYS CE C 13 40.195 0.162 . 1 . . . A 97 LYS CE . 19012 1 1072 . 1 1 97 97 LYS N N 15 128.866 0.121 . 1 . . . A 97 LYS N . 19012 1 1073 . 1 1 98 98 GLN H H 1 8.992 0.006 . 1 . . . A 98 GLN H . 19012 1 1074 . 1 1 98 98 GLN HA H 1 4.244 0.006 . 1 . . . A 98 GLN HA . 19012 1 1075 . 1 1 98 98 GLN HB2 H 1 1.819 0.006 . 2 . . . A 98 GLN HB2 . 19012 1 1076 . 1 1 98 98 GLN HB3 H 1 2.050 0.006 . 2 . . . A 98 GLN HB3 . 19012 1 1077 . 1 1 98 98 GLN HG2 H 1 2.234 0.006 . 2 . . . A 98 GLN QG . 19012 1 1078 . 1 1 98 98 GLN HG3 H 1 2.234 0.006 . 2 . . . A 98 GLN QG . 19012 1 1079 . 1 1 98 98 GLN HE21 H 1 6.901 0.006 . 1 . . . A 98 GLN HE21 . 19012 1 1080 . 1 1 98 98 GLN HE22 H 1 7.149 0.006 . 1 . . . A 98 GLN HE22 . 19012 1 1081 . 1 1 98 98 GLN CA C 13 52.689 0.162 . 1 . . . A 98 GLN CA . 19012 1 1082 . 1 1 98 98 GLN CB C 13 28.065 0.162 . 1 . . . A 98 GLN CB . 19012 1 1083 . 1 1 98 98 GLN CG C 13 31.742 0.162 . 1 . . . A 98 GLN CG . 19012 1 1084 . 1 1 98 98 GLN N N 15 127.056 0.121 . 1 . . . A 98 GLN N . 19012 1 1085 . 1 1 98 98 GLN NE2 N 15 113.603 0.121 . 1 . . . A 98 GLN NE2 . 19012 1 1086 . 1 1 99 99 LYS H H 1 7.888 0.006 . 1 . . . A 99 LYS H . 19012 1 1087 . 1 1 99 99 LYS HA H 1 4.020 0.006 . 1 . . . A 99 LYS HA . 19012 1 1088 . 1 1 99 99 LYS HB2 H 1 1.715 0.006 . 2 . . . A 99 LYS HB2 . 19012 1 1089 . 1 1 99 99 LYS HB3 H 1 1.627 0.006 . 2 . . . A 99 LYS HB3 . 19012 1 1090 . 1 1 99 99 LYS HG2 H 1 1.252 0.006 . 2 . . . A 99 LYS QG . 19012 1 1091 . 1 1 99 99 LYS HG3 H 1 1.252 0.006 . 2 . . . A 99 LYS QG . 19012 1 1092 . 1 1 99 99 LYS HD2 H 1 1.496 0.006 . 2 . . . A 99 LYS QD . 19012 1 1093 . 1 1 99 99 LYS HD3 H 1 1.496 0.006 . 2 . . . A 99 LYS QD . 19012 1 1094 . 1 1 99 99 LYS HE2 H 1 2.755 0.006 . 2 . . . A 99 LYS QE . 19012 1 1095 . 1 1 99 99 LYS HE3 H 1 2.755 0.006 . 2 . . . A 99 LYS QE . 19012 1 1096 . 1 1 99 99 LYS CA C 13 55.137 0.162 . 1 . . . A 99 LYS CA . 19012 1 1097 . 1 1 99 99 LYS CB C 13 31.233 0.162 . 1 . . . A 99 LYS CB . 19012 1 1098 . 1 1 99 99 LYS CG C 13 22.220 0.162 . 1 . . . A 99 LYS CG . 19012 1 1099 . 1 1 99 99 LYS CD C 13 26.806 0.162 . 1 . . . A 99 LYS CD . 19012 1 1100 . 1 1 99 99 LYS CE C 13 39.526 0.162 . 1 . . . A 99 LYS CE . 19012 1 1101 . 1 1 99 99 LYS N N 15 126.828 0.121 . 1 . . . A 99 LYS N . 19012 1 stop_ save_