data_19848 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19848 _Entry.Title ; NMR solution structure of PA3793 from Pseudomonas aeruginosa ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-03-11 _Entry.Accession_date 2014-03-11 _Entry.Last_release_date 2014-03-11 _Entry.Original_release_date 2014-03-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 M. Mayzel . . . . 19848 2 R. Schnell . . . . 19848 3 G. Schneider . . . . 19848 4 Goran Karlsson . B. . . 19848 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19848 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . KarlssonGroup . 19848 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PH-fold . 19848 'PUTATIVE PROTEIN' . 19848 'Pseudomonas aeruginosa (putative protein)' . 19848 'STRUCTURAL PROTEIN' . 19848 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19848 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 462 19848 '15N chemical shifts' 120 19848 '1H chemical shifts' 729 19848 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 . . 2014-04-28 . original BMRB . 19848 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4csq 'NMR solution structure of PA3793 from Pseudomonas aeruginosa' 19848 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19848 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR SOLUTION STRUCTURE OF PA3793 FROM PSEUDOMONAS ; _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 G. Schneider . . . . 19848 1 2 R. Schnell . . . . 19848 1 3 M. Mayzel . . . . 19848 1 4 Goran Karlsson . B. . . 19848 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19848 _Assembly.ID 1 _Assembly.Name 'PA3793 from Pseudomonas aeruginosa' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 12725.7071 _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 'PA3793 from Pseudomonas aeruginosa' 1 $UNCHARACTERIZED_PROTEIN A . yes native no no . . . 19848 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UNCHARACTERIZED_PROTEIN _Entity.Sf_category entity _Entity.Sf_framecode UNCHARACTERIZED_PROTEIN _Entity.Entry_ID 19848 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name UNCHARACTERIZED_PROTEIN _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 ; GSHMTTQRYLLDELETADML EIDGLHAWRFELNENLLDQA DLAAEADQPFASEDWVLAVE SLDGRTRREWRFSYNAVMEA EPQADGESWRLTTGEGAYQL RCLGAVSASGEDE ; _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 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12725.7071 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q9HXK4 . Q9HXK4 . . . . . . . . . . . . . . 19848 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 19848 1 2 . SER . 19848 1 3 . HIS . 19848 1 4 . MET . 19848 1 5 . THR . 19848 1 6 . THR . 19848 1 7 . GLN . 19848 1 8 . ARG . 19848 1 9 . TYR . 19848 1 10 . LEU . 19848 1 11 . LEU . 19848 1 12 . ASP . 19848 1 13 . GLU . 19848 1 14 . LEU . 19848 1 15 . GLU . 19848 1 16 . THR . 19848 1 17 . ALA . 19848 1 18 . ASP . 19848 1 19 . MET . 19848 1 20 . LEU . 19848 1 21 . GLU . 19848 1 22 . ILE . 19848 1 23 . ASP . 19848 1 24 . GLY . 19848 1 25 . LEU . 19848 1 26 . HIS . 19848 1 27 . ALA . 19848 1 28 . TRP . 19848 1 29 . ARG . 19848 1 30 . PHE . 19848 1 31 . GLU . 19848 1 32 . LEU . 19848 1 33 . ASN . 19848 1 34 . GLU . 19848 1 35 . ASN . 19848 1 36 . LEU . 19848 1 37 . LEU . 19848 1 38 . ASP . 19848 1 39 . GLN . 19848 1 40 . ALA . 19848 1 41 . ASP . 19848 1 42 . LEU . 19848 1 43 . ALA . 19848 1 44 . ALA . 19848 1 45 . GLU . 19848 1 46 . ALA . 19848 1 47 . ASP . 19848 1 48 . GLN . 19848 1 49 . PRO . 19848 1 50 . PHE . 19848 1 51 . ALA . 19848 1 52 . SER . 19848 1 53 . GLU . 19848 1 54 . ASP . 19848 1 55 . TRP . 19848 1 56 . VAL . 19848 1 57 . LEU . 19848 1 58 . ALA . 19848 1 59 . VAL . 19848 1 60 . GLU . 19848 1 61 . SER . 19848 1 62 . LEU . 19848 1 63 . ASP . 19848 1 64 . GLY . 19848 1 65 . ARG . 19848 1 66 . THR . 19848 1 67 . ARG . 19848 1 68 . ARG . 19848 1 69 . GLU . 19848 1 70 . TRP . 19848 1 71 . ARG . 19848 1 72 . PHE . 19848 1 73 . SER . 19848 1 74 . TYR . 19848 1 75 . ASN . 19848 1 76 . ALA . 19848 1 77 . VAL . 19848 1 78 . MET . 19848 1 79 . GLU . 19848 1 80 . ALA . 19848 1 81 . GLU . 19848 1 82 . PRO . 19848 1 83 . GLN . 19848 1 84 . ALA . 19848 1 85 . ASP . 19848 1 86 . GLY . 19848 1 87 . GLU . 19848 1 88 . SER . 19848 1 89 . TRP . 19848 1 90 . ARG . 19848 1 91 . LEU . 19848 1 92 . THR . 19848 1 93 . THR . 19848 1 94 . GLY . 19848 1 95 . GLU . 19848 1 96 . GLY . 19848 1 97 . ALA . 19848 1 98 . TYR . 19848 1 99 . GLN . 19848 1 100 . LEU . 19848 1 101 . ARG . 19848 1 102 . CYS . 19848 1 103 . LEU . 19848 1 104 . GLY . 19848 1 105 . ALA . 19848 1 106 . VAL . 19848 1 107 . SER . 19848 1 108 . ALA . 19848 1 109 . SER . 19848 1 110 . GLY . 19848 1 111 . GLU . 19848 1 112 . ASP . 19848 1 113 . GLU . 19848 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 19848 1 . SER 2 2 19848 1 . HIS 3 3 19848 1 . MET 4 4 19848 1 . THR 5 5 19848 1 . THR 6 6 19848 1 . GLN 7 7 19848 1 . ARG 8 8 19848 1 . TYR 9 9 19848 1 . LEU 10 10 19848 1 . LEU 11 11 19848 1 . ASP 12 12 19848 1 . GLU 13 13 19848 1 . LEU 14 14 19848 1 . GLU 15 15 19848 1 . THR 16 16 19848 1 . ALA 17 17 19848 1 . ASP 18 18 19848 1 . MET 19 19 19848 1 . LEU 20 20 19848 1 . GLU 21 21 19848 1 . ILE 22 22 19848 1 . ASP 23 23 19848 1 . GLY 24 24 19848 1 . LEU 25 25 19848 1 . HIS 26 26 19848 1 . ALA 27 27 19848 1 . TRP 28 28 19848 1 . ARG 29 29 19848 1 . PHE 30 30 19848 1 . GLU 31 31 19848 1 . LEU 32 32 19848 1 . ASN 33 33 19848 1 . GLU 34 34 19848 1 . ASN 35 35 19848 1 . LEU 36 36 19848 1 . LEU 37 37 19848 1 . ASP 38 38 19848 1 . GLN 39 39 19848 1 . ALA 40 40 19848 1 . ASP 41 41 19848 1 . LEU 42 42 19848 1 . ALA 43 43 19848 1 . ALA 44 44 19848 1 . GLU 45 45 19848 1 . ALA 46 46 19848 1 . ASP 47 47 19848 1 . GLN 48 48 19848 1 . PRO 49 49 19848 1 . PHE 50 50 19848 1 . ALA 51 51 19848 1 . SER 52 52 19848 1 . GLU 53 53 19848 1 . ASP 54 54 19848 1 . TRP 55 55 19848 1 . VAL 56 56 19848 1 . LEU 57 57 19848 1 . ALA 58 58 19848 1 . VAL 59 59 19848 1 . GLU 60 60 19848 1 . SER 61 61 19848 1 . LEU 62 62 19848 1 . ASP 63 63 19848 1 . GLY 64 64 19848 1 . ARG 65 65 19848 1 . THR 66 66 19848 1 . ARG 67 67 19848 1 . ARG 68 68 19848 1 . GLU 69 69 19848 1 . TRP 70 70 19848 1 . ARG 71 71 19848 1 . PHE 72 72 19848 1 . SER 73 73 19848 1 . TYR 74 74 19848 1 . ASN 75 75 19848 1 . ALA 76 76 19848 1 . VAL 77 77 19848 1 . MET 78 78 19848 1 . GLU 79 79 19848 1 . ALA 80 80 19848 1 . GLU 81 81 19848 1 . PRO 82 82 19848 1 . GLN 83 83 19848 1 . ALA 84 84 19848 1 . ASP 85 85 19848 1 . GLY 86 86 19848 1 . GLU 87 87 19848 1 . SER 88 88 19848 1 . TRP 89 89 19848 1 . ARG 90 90 19848 1 . LEU 91 91 19848 1 . THR 92 92 19848 1 . THR 93 93 19848 1 . GLY 94 94 19848 1 . GLU 95 95 19848 1 . GLY 96 96 19848 1 . ALA 97 97 19848 1 . TYR 98 98 19848 1 . GLN 99 99 19848 1 . LEU 100 100 19848 1 . ARG 101 101 19848 1 . CYS 102 102 19848 1 . LEU 103 103 19848 1 . GLY 104 104 19848 1 . ALA 105 105 19848 1 . VAL 106 106 19848 1 . SER 107 107 19848 1 . ALA 108 108 19848 1 . SER 109 109 19848 1 . GLY 110 110 19848 1 . GLU 111 111 19848 1 . ASP 112 112 19848 1 . GLU 113 113 19848 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 19848 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $UNCHARACTERIZED_PROTEIN . 287 organism . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . Pseudomonas aeruginosa . . . . . . . . . . . . . 19848 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 19848 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $UNCHARACTERIZED_PROTEIN . 'recombinant technology' 'E. coli' 'E. coli' . . E. coli . . . . . . . . . 'Expressed in E.coli using standard techniques' 19848 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19848 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.6 mM, 13C, 15N labelled' _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 'UNCHARACTERIZED PROTEIN' '[U-13C; U-15N]' . . 1 $UNCHARACTERIZED_PROTEIN . . 1.6 . . mM . . . . 19848 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19848 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.6 mM, 13C, 15N labelled' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'UNCHARACTERIZED PROTEIN' '[U-13C; U-15N]' . . 1 $UNCHARACTERIZED_PROTEIN . . 1.6 . . mM . . . . 19848 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19848 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.6 mM, unlabelled' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'UNCHARACTERIZED PROTEIN' 'natural abundance' . . 1 $UNCHARACTERIZED_PROTEIN . . 1.6 . . mM . . . . 19848 3 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 19848 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details 'pH [6.0], temp [298], pressure [1], ionStrength [70.0]' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 70.000 . mM 19848 1 pH 6.000 . pH 19848 1 pressure 1.000 . atm 19848 1 temperature 298.000 . K 19848 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 19848 _Software.ID 1 _Software.Type . _Software.Name AutoDep _Software.Version 4.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Sen et al.' . . 19848 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 19848 1 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 19848 _Software.ID 2 _Software.Type . _Software.Name Analysis _Software.Version any _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19848 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 19848 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19848 _Software.ID 3 _Software.Type . _Software.Name CNS _Software.Version 1.3 _Software.DOI . _Software.Details 'Refinement done using recoord scripts from above reference.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19848 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 19848 3 stop_ save_ save_Cyana-3 _Method.Sf_category method _Method.Sf_framecode Cyana-3 _Method.Entry_ID 19848 _Method.ID 1 _Method.Name . _Method.Derivation_type . _Method.Details Cyana-3 _Method.Computer_ID . _Method.Computer_label . _Method.Computing_platform_ID . _Method.Computing_platform_label . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian_UnityInova-900 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian_UnityInova-900 _NMR_spectrometer.Entry_ID 19848 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityInova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19848 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 Varian_UnityInova-900 Varian UnityInova . 900 . . . 19848 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 19848 _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 15Nnoesy no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Varian_UnityInova-900 . . . . . . . . . . . . . . . . 19848 1 2 15Nhsqc no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Varian_UnityInova-900 . . . . . . . . . . . . . . . . 19848 1 3 'backbone exps' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Varian_UnityInova-900 . . . . . . . . . . . . . . . . 19848 1 4 '13C noesy' no . . . . . . . . . . 2 $sample_2 solution . . 1 $sample_conditions_1 . . . 1 $Varian_UnityInova-900 . . . . . . . . . . . . . . . . 19848 1 5 '2D noesy' no . . . . . . . . . . 3 $sample_3 solution . . 1 $sample_conditions_1 . . . 1 $Varian_UnityInova-900 . . . . . . . . . . . . . . . . 19848 1 6 '2D tocsy' no . . . . . . . . . . 3 $sample_3 solution . . 1 $sample_conditions_1 . . . 1 $Varian_UnityInova-900 . . . . . . . . . . . . . . . . 19848 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 19848 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 HDO protons . . . . ppm 4.7 internal indirect 1 . . . . . 19848 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19848 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; Origin autoAssign file /Volumes/LACIE/PA/PA3793.out Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4csq/ebi/chem_shifts.str.csh ; _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 15Nnoesy 1 $sample_1 solution 19848 1 2 15Nhsqc 1 $sample_1 solution 19848 1 3 'backbone exps' 1 $sample_1 solution 19848 1 4 '13C noesy' 2 $sample_2 solution 19848 1 5 '2D noesy' 3 $sample_3 solution 19848 1 6 '2D tocsy' 3 $sample_3 solution 19848 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 SER C C 13 174.305 . . 1 . . 1142 . . 2 SER C . 19848 1 2 . 1 . 1 2 2 SER CA C 13 58.316 . . 1 . . 1179 . . 2 SER CA . 19848 1 3 . 1 . 1 2 2 SER CB C 13 63.945 . . 1 . . 1180 . . 2 SER CB . 19848 1 4 . 1 . 1 3 3 HIS H H 1 8.670 0.003 . 1 . . 75 . . 3 HIS H . 19848 1 5 . 1 . 1 3 3 HIS HA H 1 4.673 0.007 . 1 . . 374 . . 3 HIS HA . 19848 1 6 . 1 . 1 3 3 HIS HB2 H 1 3.079 0.006 . 2 . . 855 . . 3 HIS HB2 . 19848 1 7 . 1 . 1 3 3 HIS HB3 H 1 3.206 0.007 . 2 . . 856 . . 3 HIS HB3 . 19848 1 8 . 1 . 1 3 3 HIS C C 13 174.438 . . 1 . . 1136 . . 3 HIS C . 19848 1 9 . 1 . 1 3 3 HIS CA C 13 55.429 0.021 . 1 . . 76 . . 3 HIS CA . 19848 1 10 . 1 . 1 3 3 HIS CB C 13 29.164 . . 1 . . 854 . . 3 HIS CB . 19848 1 11 . 1 . 1 3 3 HIS N N 15 120.574 0.003 . 1 . . 74 . . 3 HIS N . 19848 1 12 . 1 . 1 4 4 MET H H 1 8.497 0.001 . 1 . . 73 . . 4 MET H . 19848 1 13 . 1 . 1 4 4 MET HA H 1 4.505 0.002 . 1 . . 606 . . 4 MET HA . 19848 1 14 . 1 . 1 4 4 MET HB2 H 1 2.069 0.002 . 2 . . 605 . . 4 MET HB2 . 19848 1 15 . 1 . 1 4 4 MET HB3 H 1 1.961 0.003 . 2 . . 607 . . 4 MET HB3 . 19848 1 16 . 1 . 1 4 4 MET HG2 H 1 2.457 0.006 . 2 . . 609 . . 4 MET HG2 . 19848 1 17 . 1 . 1 4 4 MET HG3 H 1 2.525 0.005 . 2 . . 608 . . 4 MET HG3 . 19848 1 18 . 1 . 1 4 4 MET HE1 H 1 2.018 . . 1 . . 1057 . . 4 MET HE1 . 19848 1 19 . 1 . 1 4 4 MET HE2 H 1 2.018 . . 1 . . 1057 . . 4 MET HE2 . 19848 1 20 . 1 . 1 4 4 MET HE3 H 1 2.018 . . 1 . . 1057 . . 4 MET HE3 . 19848 1 21 . 1 . 1 4 4 MET C C 13 176.426 0.023 . 1 . . 603 . . 4 MET C . 19848 1 22 . 1 . 1 4 4 MET CA C 13 55.669 0.037 . 1 . . 77 . . 4 MET CA . 19848 1 23 . 1 . 1 4 4 MET CB C 13 33.003 . . 1 . . 604 . . 4 MET CB . 19848 1 24 . 1 . 1 4 4 MET CE C 13 16.988 . . 1 . . 1056 . . 4 MET CE . 19848 1 25 . 1 . 1 4 4 MET N N 15 121.675 0.016 . 1 . . 72 . . 4 MET N . 19848 1 26 . 1 . 1 5 5 THR H H 1 8.249 0.007 . 1 . . 71 . . 5 THR H . 19848 1 27 . 1 . 1 5 5 THR HA H 1 4.420 0.003 . 1 . . 379 . . 5 THR HA . 19848 1 28 . 1 . 1 5 5 THR HB H 1 4.273 0.004 . 1 . . 613 . . 5 THR HB . 19848 1 29 . 1 . 1 5 5 THR HG21 H 1 1.174 0.004 . 1 . . 611 . . 5 THR HG21 . 19848 1 30 . 1 . 1 5 5 THR HG22 H 1 1.174 0.004 . 1 . . 611 . . 5 THR HG22 . 19848 1 31 . 1 . 1 5 5 THR HG23 H 1 1.174 0.004 . 1 . . 611 . . 5 THR HG23 . 19848 1 32 . 1 . 1 5 5 THR C C 13 174.677 . . 1 . . 1139 . . 5 THR C . 19848 1 33 . 1 . 1 5 5 THR CA C 13 61.859 0.024 . 1 . . 78 . . 5 THR CA . 19848 1 34 . 1 . 1 5 5 THR CB C 13 69.698 0.023 . 1 . . 612 . . 5 THR CB . 19848 1 35 . 1 . 1 5 5 THR CG2 C 13 21.493 0.157 . 1 . . 610 . . 5 THR CG2 . 19848 1 36 . 1 . 1 5 5 THR N N 15 114.821 0.069 . 1 . . 70 . . 5 THR N . 19848 1 37 . 1 . 1 6 6 THR H H 1 8.032 0.002 . 1 . . 68 . . 6 THR H . 19848 1 38 . 1 . 1 6 6 THR HA H 1 4.285 0.012 . 1 . . 378 . . 6 THR HA . 19848 1 39 . 1 . 1 6 6 THR HB H 1 4.241 . . 1 . . 616 . . 6 THR HB . 19848 1 40 . 1 . 1 6 6 THR HG21 H 1 1.157 0.006 . 1 . . 615 . . 6 THR HG21 . 19848 1 41 . 1 . 1 6 6 THR HG22 H 1 1.157 0.006 . 1 . . 615 . . 6 THR HG22 . 19848 1 42 . 1 . 1 6 6 THR HG23 H 1 1.157 0.006 . 1 . . 615 . . 6 THR HG23 . 19848 1 43 . 1 . 1 6 6 THR C C 13 174.190 . . 1 . . 1138 . . 6 THR C . 19848 1 44 . 1 . 1 6 6 THR CA C 13 61.894 0.005 . 1 . . 79 . . 6 THR CA . 19848 1 45 . 1 . 1 6 6 THR CB C 13 69.549 . . 1 . . 614 . . 6 THR CB . 19848 1 46 . 1 . 1 6 6 THR CG2 C 13 21.734 0.032 . 1 . . 679 . . 6 THR CG2 . 19848 1 47 . 1 . 1 6 6 THR N N 15 114.661 0.032 . 1 . . 69 . . 6 THR N . 19848 1 48 . 1 . 1 7 7 GLN H H 1 8.080 0.002 . 1 . . 1125 . . 7 GLN H . 19848 1 49 . 1 . 1 7 7 GLN HA H 1 4.258 0.01 . 1 . . 1129 . . 7 GLN HA . 19848 1 50 . 1 . 1 7 7 GLN HB3 H 1 1.901 0.003 . 1 . . 1130 . . 7 GLN HB3 . 19848 1 51 . 1 . 1 7 7 GLN HG2 H 1 2.142 0.002 . 2 . . 1131 . . 7 GLN HG2 . 19848 1 52 . 1 . 1 7 7 GLN HG3 H 1 2.082 0.008 . 2 . . 1132 . . 7 GLN HG3 . 19848 1 53 . 1 . 1 7 7 GLN C C 13 174.642 . . 1 . . 1137 . . 7 GLN C . 19848 1 54 . 1 . 1 7 7 GLN CA C 13 55.509 0.027 . 1 . . 1127 . . 7 GLN CA . 19848 1 55 . 1 . 1 7 7 GLN CB C 13 29.930 0.003 . 1 . . 1128 . . 7 GLN CB . 19848 1 56 . 1 . 1 7 7 GLN CG C 13 33.539 0.01 . 1 . . 1133 . . 7 GLN CG . 19848 1 57 . 1 . 1 7 7 GLN N N 15 122.286 0.041 . 1 . . 1126 . . 7 GLN N . 19848 1 58 . 1 . 1 8 8 ARG H H 1 8.180 0.002 . 1 . . 64 . . 8 ARG H . 19848 1 59 . 1 . 1 8 8 ARG HA H 1 4.449 0.004 . 1 . . 356 . . 8 ARG HA . 19848 1 60 . 1 . 1 8 8 ARG HB2 H 1 1.559 0.006 . 2 . . 618 . . 8 ARG HB2 . 19848 1 61 . 1 . 1 8 8 ARG HB3 H 1 1.906 0.006 . 2 . . 619 . . 8 ARG HB3 . 19848 1 62 . 1 . 1 8 8 ARG HG2 H 1 1.566 0.001 . 2 . . 622 . . 8 ARG HG2 . 19848 1 63 . 1 . 1 8 8 ARG HG3 H 1 1.641 0.003 . 2 . . 621 . . 8 ARG HG3 . 19848 1 64 . 1 . 1 8 8 ARG HD2 H 1 3.138 0.001 . 2 . . 1184 . . 8 ARG HD2 . 19848 1 65 . 1 . 1 8 8 ARG HD3 H 1 2.872 . . 2 . . 1185 . . 8 ARG HD3 . 19848 1 66 . 1 . 1 8 8 ARG C C 13 175.412 . . 1 . . 1143 . . 8 ARG C . 19848 1 67 . 1 . 1 8 8 ARG CA C 13 55.841 0.026 . 1 . . 80 . . 8 ARG CA . 19848 1 68 . 1 . 1 8 8 ARG CB C 13 32.341 0.004 . 1 . . 617 . . 8 ARG CB . 19848 1 69 . 1 . 1 8 8 ARG CG C 13 26.924 0.04 . 1 . . 620 . . 8 ARG CG . 19848 1 70 . 1 . 1 8 8 ARG CD C 13 43.875 0.006 . 1 . . 1183 . . 8 ARG CD . 19848 1 71 . 1 . 1 8 8 ARG N N 15 122.318 0.032 . 1 . . 65 . . 8 ARG N . 19848 1 72 . 1 . 1 9 9 TYR H H 1 8.753 0.005 . 1 . . 66 . . 9 TYR H . 19848 1 73 . 1 . 1 9 9 TYR HA H 1 4.707 0.006 . 1 . . 624 . . 9 TYR HA . 19848 1 74 . 1 . 1 9 9 TYR HB2 H 1 2.746 0.003 . 2 . . 626 . . 9 TYR HB2 . 19848 1 75 . 1 . 1 9 9 TYR HB3 H 1 3.151 0.006 . 2 . . 625 . . 9 TYR HB3 . 19848 1 76 . 1 . 1 9 9 TYR HD1 H 1 7.157 0.003 . 1 . . 872 . . 9 TYR HD1 . 19848 1 77 . 1 . 1 9 9 TYR HD2 H 1 7.157 0.003 . 1 . . 873 . . 9 TYR HD2 . 19848 1 78 . 1 . 1 9 9 TYR HE1 H 1 6.745 0.006 . 1 . . 874 . . 9 TYR HE1 . 19848 1 79 . 1 . 1 9 9 TYR HE2 H 1 6.745 0.006 . 1 . . 875 . . 9 TYR HE2 . 19848 1 80 . 1 . 1 9 9 TYR CA C 13 57.336 . . 1 . . 81 . . 9 TYR CA . 19848 1 81 . 1 . 1 9 9 TYR CB C 13 40.043 0.004 . 1 . . 623 . . 9 TYR CB . 19848 1 82 . 1 . 1 9 9 TYR CD1 C 13 133.375 0.002 . 1 . . 907 . . 9 TYR CD1 . 19848 1 83 . 1 . 1 9 9 TYR CD2 C 13 133.375 0.002 . 1 . . 908 . . 9 TYR CD2 . 19848 1 84 . 1 . 1 9 9 TYR CE1 C 13 118.063 0.003 . 1 . . 913 . . 9 TYR CE1 . 19848 1 85 . 1 . 1 9 9 TYR CE2 C 13 118.063 0.003 . 1 . . 914 . . 9 TYR CE2 . 19848 1 86 . 1 . 1 9 9 TYR N N 15 122.043 0.023 . 1 . . 67 . . 9 TYR N . 19848 1 87 . 1 . 1 10 10 LEU H H 1 8.048 0.002 . 1 . . 1029 . . 10 LEU H . 19848 1 88 . 1 . 1 10 10 LEU HA H 1 2.939 0.003 . 1 . . 790 . . 10 LEU HA . 19848 1 89 . 1 . 1 10 10 LEU HB2 H 1 -1.001 0.005 . 2 . . 787 . . 10 LEU HB2 . 19848 1 90 . 1 . 1 10 10 LEU HB3 H 1 0.799 0.004 . 2 . . 788 . . 10 LEU HB3 . 19848 1 91 . 1 . 1 10 10 LEU HG H 1 0.593 0.006 . 1 . . 784 . . 10 LEU HG . 19848 1 92 . 1 . 1 10 10 LEU HD11 H 1 0.106 0.014 . 2 . . 783 . . 10 LEU HD11 . 19848 1 93 . 1 . 1 10 10 LEU HD12 H 1 0.106 0.014 . 2 . . 783 . . 10 LEU HD12 . 19848 1 94 . 1 . 1 10 10 LEU HD13 H 1 0.106 0.014 . 2 . . 783 . . 10 LEU HD13 . 19848 1 95 . 1 . 1 10 10 LEU HD21 H 1 -0.426 0.002 . 2 . . 782 . . 10 LEU HD21 . 19848 1 96 . 1 . 1 10 10 LEU HD22 H 1 -0.426 0.002 . 2 . . 782 . . 10 LEU HD22 . 19848 1 97 . 1 . 1 10 10 LEU HD23 H 1 -0.426 0.002 . 2 . . 782 . . 10 LEU HD23 . 19848 1 98 . 1 . 1 10 10 LEU C C 13 177.931 0.027 . 1 . . 545 . . 10 LEU C . 19848 1 99 . 1 . 1 10 10 LEU CA C 13 57.737 0.069 . 1 . . 789 . . 10 LEU CA . 19848 1 100 . 1 . 1 10 10 LEU CB C 13 38.327 0.009 . 1 . . 786 . . 10 LEU CB . 19848 1 101 . 1 . 1 10 10 LEU CG C 13 26.421 0.012 . 1 . . 1000 . . 10 LEU CG . 19848 1 102 . 1 . 1 10 10 LEU CD1 C 13 26.380 0.11 . 2 . . 785 . . 10 LEU CD1 . 19848 1 103 . 1 . 1 10 10 LEU CD2 C 13 20.580 0.019 . 2 . . 781 . . 10 LEU CD2 . 19848 1 104 . 1 . 1 10 10 LEU N N 15 127.828 0.025 . 1 . . 1028 . . 10 LEU N . 19848 1 105 . 1 . 1 11 11 LEU H H 1 8.253 0.019 . 1 . . 338 . . 11 LEU H . 19848 1 106 . 1 . 1 11 11 LEU HA H 1 3.592 0.002 . 1 . . 536 . . 11 LEU HA . 19848 1 107 . 1 . 1 11 11 LEU HB2 H 1 1.200 0.005 . 2 . . 538 . . 11 LEU HB2 . 19848 1 108 . 1 . 1 11 11 LEU HB3 H 1 1.388 0.007 . 2 . . 537 . . 11 LEU HB3 . 19848 1 109 . 1 . 1 11 11 LEU HG H 1 1.432 0.004 . 1 . . 544 . . 11 LEU HG . 19848 1 110 . 1 . 1 11 11 LEU HD11 H 1 0.752 0.007 . 2 . . 540 . . 11 LEU HD11 . 19848 1 111 . 1 . 1 11 11 LEU HD12 H 1 0.752 0.007 . 2 . . 540 . . 11 LEU HD12 . 19848 1 112 . 1 . 1 11 11 LEU HD13 H 1 0.752 0.007 . 2 . . 540 . . 11 LEU HD13 . 19848 1 113 . 1 . 1 11 11 LEU HD21 H 1 0.742 0.007 . 2 . . 542 . . 11 LEU HD21 . 19848 1 114 . 1 . 1 11 11 LEU HD22 H 1 0.742 0.007 . 2 . . 542 . . 11 LEU HD22 . 19848 1 115 . 1 . 1 11 11 LEU HD23 H 1 0.742 0.007 . 2 . . 542 . . 11 LEU HD23 . 19848 1 116 . 1 . 1 11 11 LEU C C 13 177.614 . . 1 . . 535 . . 11 LEU C . 19848 1 117 . 1 . 1 11 11 LEU CA C 13 58.470 0.04 . 1 . . 340 . . 11 LEU CA . 19848 1 118 . 1 . 1 11 11 LEU CB C 13 41.373 0.042 . 1 . . 336 . . 11 LEU CB . 19848 1 119 . 1 . 1 11 11 LEU CG C 13 27.126 0.012 . 1 . . 543 . . 11 LEU CG . 19848 1 120 . 1 . 1 11 11 LEU CD1 C 13 24.699 0.157 . 2 . . 539 . . 11 LEU CD1 . 19848 1 121 . 1 . 1 11 11 LEU CD2 C 13 25.027 0.031 . 2 . . 541 . . 11 LEU CD2 . 19848 1 122 . 1 . 1 11 11 LEU N N 15 117.419 0.035 . 1 . . 339 . . 11 LEU N . 19848 1 123 . 1 . 1 12 12 ASP H H 1 6.630 0.011 . 1 . . 62 . . 12 ASP H . 19848 1 124 . 1 . 1 12 12 ASP HA H 1 4.232 0.003 . 1 . . 627 . . 12 ASP HA . 19848 1 125 . 1 . 1 12 12 ASP HB2 H 1 2.724 0.003 . 2 . . 629 . . 12 ASP HB2 . 19848 1 126 . 1 . 1 12 12 ASP HB3 H 1 2.879 0.009 . 2 . . 628 . . 12 ASP HB3 . 19848 1 127 . 1 . 1 12 12 ASP C C 13 178.861 . . 1 . . 630 . . 12 ASP C . 19848 1 128 . 1 . 1 12 12 ASP CA C 13 57.184 0.013 . 1 . . 337 . . 12 ASP CA . 19848 1 129 . 1 . 1 12 12 ASP CB C 13 40.622 0.034 . 1 . . 335 . . 12 ASP CB . 19848 1 130 . 1 . 1 12 12 ASP N N 15 114.907 0.025 . 1 . . 63 . . 12 ASP N . 19848 1 131 . 1 . 1 13 13 GLU H H 1 7.214 0.007 . 1 . . 60 . . 13 GLU H . 19848 1 132 . 1 . 1 13 13 GLU HA H 1 3.969 0.001 . 1 . . 942 . . 13 GLU HA . 19848 1 133 . 1 . 1 13 13 GLU HB2 H 1 1.981 0.002 . 2 . . 944 . . 13 GLU HB2 . 19848 1 134 . 1 . 1 13 13 GLU HB3 H 1 2.108 0.004 . 2 . . 945 . . 13 GLU HB3 . 19848 1 135 . 1 . 1 13 13 GLU HG2 H 1 2.258 0.006 . 2 . . 946 . . 13 GLU HG2 . 19848 1 136 . 1 . 1 13 13 GLU HG3 H 1 2.587 0.001 . 2 . . 943 . . 13 GLU HG3 . 19848 1 137 . 1 . 1 13 13 GLU C C 13 179.488 . . 1 . . 1144 . . 13 GLU C . 19848 1 138 . 1 . 1 13 13 GLU CA C 13 58.862 0.013 . 1 . . 631 . . 13 GLU CA . 19848 1 139 . 1 . 1 13 13 GLU CB C 13 29.599 0.044 . 1 . . 632 . . 13 GLU CB . 19848 1 140 . 1 . 1 13 13 GLU CG C 13 36.899 0.023 . 1 . . 947 . . 13 GLU CG . 19848 1 141 . 1 . 1 13 13 GLU N N 15 118.984 0.026 . 1 . . 61 . . 13 GLU N . 19848 1 142 . 1 . 1 14 14 LEU H H 1 8.441 0.005 . 1 . . 53 . . 14 LEU H . 19848 1 143 . 1 . 1 14 14 LEU HA H 1 3.786 0.003 . 1 . . 526 . . 14 LEU HA . 19848 1 144 . 1 . 1 14 14 LEU HB2 H 1 1.239 0.006 . 2 . . 528 . . 14 LEU HB2 . 19848 1 145 . 1 . 1 14 14 LEU HB3 H 1 1.907 0.003 . 2 . . 527 . . 14 LEU HB3 . 19848 1 146 . 1 . 1 14 14 LEU HG H 1 1.440 0.009 . 1 . . 534 . . 14 LEU HG . 19848 1 147 . 1 . 1 14 14 LEU HD11 H 1 0.495 0.007 . 2 . . 530 . . 14 LEU HD11 . 19848 1 148 . 1 . 1 14 14 LEU HD12 H 1 0.495 0.007 . 2 . . 530 . . 14 LEU HD12 . 19848 1 149 . 1 . 1 14 14 LEU HD13 H 1 0.495 0.007 . 2 . . 530 . . 14 LEU HD13 . 19848 1 150 . 1 . 1 14 14 LEU HD21 H 1 0.409 0.006 . 2 . . 532 . . 14 LEU HD21 . 19848 1 151 . 1 . 1 14 14 LEU HD22 H 1 0.409 0.006 . 2 . . 532 . . 14 LEU HD22 . 19848 1 152 . 1 . 1 14 14 LEU HD23 H 1 0.409 0.006 . 2 . . 532 . . 14 LEU HD23 . 19848 1 153 . 1 . 1 14 14 LEU C C 13 178.805 . . 1 . . 523 . . 14 LEU C . 19848 1 154 . 1 . 1 14 14 LEU CA C 13 57.521 0.007 . 1 . . 524 . . 14 LEU CA . 19848 1 155 . 1 . 1 14 14 LEU CB C 13 42.687 0.045 . 1 . . 525 . . 14 LEU CB . 19848 1 156 . 1 . 1 14 14 LEU CG C 13 26.457 . . 1 . . 533 . . 14 LEU CG . 19848 1 157 . 1 . 1 14 14 LEU CD1 C 13 27.283 0.023 . 2 . . 529 . . 14 LEU CD1 . 19848 1 158 . 1 . 1 14 14 LEU CD2 C 13 24.590 0.047 . 2 . . 531 . . 14 LEU CD2 . 19848 1 159 . 1 . 1 14 14 LEU N N 15 119.707 0.023 . 1 . . 52 . . 14 LEU N . 19848 1 160 . 1 . 1 15 15 GLU H H 1 7.596 0.006 . 1 . . 51 . . 15 GLU H . 19848 1 161 . 1 . 1 15 15 GLU HA H 1 3.990 0.004 . 1 . . 949 . . 15 GLU HA . 19848 1 162 . 1 . 1 15 15 GLU HB2 H 1 2.111 0.002 . 1 . . 951 . . 15 GLU HB2 . 19848 1 163 . 1 . 1 15 15 GLU HG2 H 1 2.310 0.004 . 2 . . 953 . . 15 GLU HG2 . 19848 1 164 . 1 . 1 15 15 GLU HG3 H 1 2.608 0.005 . 2 . . 948 . . 15 GLU HG3 . 19848 1 165 . 1 . 1 15 15 GLU C C 13 177.173 . . 1 . . 633 . . 15 GLU C . 19848 1 166 . 1 . 1 15 15 GLU CA C 13 58.337 0.028 . 1 . . 635 . . 15 GLU CA . 19848 1 167 . 1 . 1 15 15 GLU CB C 13 28.969 0.02 . 1 . . 950 . . 15 GLU CB . 19848 1 168 . 1 . 1 15 15 GLU CG C 13 34.552 0.011 . 1 . . 952 . . 15 GLU CG . 19848 1 169 . 1 . 1 15 15 GLU N N 15 114.220 0.046 . 1 . . 50 . . 15 GLU N . 19848 1 170 . 1 . 1 16 16 THR H H 1 7.178 0.009 . 1 . . 49 . . 16 THR H . 19848 1 171 . 1 . 1 16 16 THR HA H 1 4.519 0.005 . 1 . . 637 . . 16 THR HA . 19848 1 172 . 1 . 1 16 16 THR HB H 1 4.453 0.006 . 1 . . 954 . . 16 THR HB . 19848 1 173 . 1 . 1 16 16 THR HG21 H 1 1.156 0.004 . 1 . . 638 . . 16 THR HG21 . 19848 1 174 . 1 . 1 16 16 THR HG22 H 1 1.156 0.004 . 1 . . 638 . . 16 THR HG22 . 19848 1 175 . 1 . 1 16 16 THR HG23 H 1 1.156 0.004 . 1 . . 638 . . 16 THR HG23 . 19848 1 176 . 1 . 1 16 16 THR C C 13 174.274 . . 1 . . 1145 . . 16 THR C . 19848 1 177 . 1 . 1 16 16 THR CA C 13 60.696 0.008 . 1 . . 636 . . 16 THR CA . 19848 1 178 . 1 . 1 16 16 THR CB C 13 69.809 . . 1 . . 634 . . 16 THR CB . 19848 1 179 . 1 . 1 16 16 THR CG2 C 13 21.672 0.007 . 1 . . 955 . . 16 THR CG2 . 19848 1 180 . 1 . 1 16 16 THR N N 15 105.295 0.039 . 1 . . 48 . . 16 THR N . 19848 1 181 . 1 . 1 17 17 ALA H H 1 7.247 0.006 . 1 . . 55 . . 17 ALA H . 19848 1 182 . 1 . 1 17 17 ALA HA H 1 4.136 0.005 . 1 . . 400 . . 17 ALA HA . 19848 1 183 . 1 . 1 17 17 ALA HB1 H 1 1.355 0.004 . 1 . . 425 . . 17 ALA HB1 . 19848 1 184 . 1 . 1 17 17 ALA HB2 H 1 1.355 0.004 . 1 . . 425 . . 17 ALA HB2 . 19848 1 185 . 1 . 1 17 17 ALA HB3 H 1 1.355 0.004 . 1 . . 425 . . 17 ALA HB3 . 19848 1 186 . 1 . 1 17 17 ALA C C 13 176.901 0.028 . 1 . . 424 . . 17 ALA C . 19848 1 187 . 1 . 1 17 17 ALA CA C 13 53.041 0.062 . 1 . . 423 . . 17 ALA CA . 19848 1 188 . 1 . 1 17 17 ALA CB C 13 19.189 0.051 . 1 . . 422 . . 17 ALA CB . 19848 1 189 . 1 . 1 17 17 ALA N N 15 125.854 0.013 . 1 . . 54 . . 17 ALA N . 19848 1 190 . 1 . 1 18 18 ASP H H 1 8.656 0.003 . 1 . . 56 . . 18 ASP H . 19848 1 191 . 1 . 1 18 18 ASP HA H 1 4.854 0.007 . 1 . . 370 . . 18 ASP HA . 19848 1 192 . 1 . 1 18 18 ASP HB2 H 1 2.659 0.005 . 2 . . 421 . . 18 ASP HB2 . 19848 1 193 . 1 . 1 18 18 ASP HB3 H 1 2.658 0.005 . 2 . . 420 . . 18 ASP HB3 . 19848 1 194 . 1 . 1 18 18 ASP C C 13 176.256 0.002 . 1 . . 417 . . 18 ASP C . 19848 1 195 . 1 . 1 18 18 ASP CA C 13 55.640 0.034 . 1 . . 418 . . 18 ASP CA . 19848 1 196 . 1 . 1 18 18 ASP CB C 13 43.205 0.048 . 1 . . 419 . . 18 ASP CB . 19848 1 197 . 1 . 1 18 18 ASP N N 15 119.900 0.042 . 1 . . 57 . . 18 ASP N . 19848 1 198 . 1 . 1 19 19 MET H H 1 8.108 0.003 . 1 . . 59 . . 19 MET H . 19848 1 199 . 1 . 1 19 19 MET HA H 1 4.794 0.007 . 1 . . 376 . . 19 MET HA . 19848 1 200 . 1 . 1 19 19 MET HB2 H 1 2.023 0.007 . 2 . . 639 . . 19 MET HB2 . 19848 1 201 . 1 . 1 19 19 MET HB3 H 1 1.963 0.002 . 2 . . 640 . . 19 MET HB3 . 19848 1 202 . 1 . 1 19 19 MET HG2 H 1 2.414 0.002 . 2 . . 643 . . 19 MET HG2 . 19848 1 203 . 1 . 1 19 19 MET HG3 H 1 2.540 0.003 . 2 . . 642 . . 19 MET HG3 . 19848 1 204 . 1 . 1 19 19 MET HE1 H 1 2.004 0.001 . 1 . . 1055 . . 19 MET HE1 . 19848 1 205 . 1 . 1 19 19 MET HE2 H 1 2.004 0.001 . 1 . . 1055 . . 19 MET HE2 . 19848 1 206 . 1 . 1 19 19 MET HE3 H 1 2.004 0.001 . 1 . . 1055 . . 19 MET HE3 . 19848 1 207 . 1 . 1 19 19 MET CA C 13 54.423 0.016 . 1 . . 415 . . 19 MET CA . 19848 1 208 . 1 . 1 19 19 MET CB C 13 37.266 0.026 . 1 . . 416 . . 19 MET CB . 19848 1 209 . 1 . 1 19 19 MET CG C 13 31.981 0.005 . 1 . . 641 . . 19 MET CG . 19848 1 210 . 1 . 1 19 19 MET CE C 13 17.100 . . 1 . . 1054 . . 19 MET CE . 19848 1 211 . 1 . 1 19 19 MET N N 15 116.235 0.019 . 1 . . 58 . . 19 MET N . 19848 1 212 . 1 . 1 20 20 LEU H H 1 8.516 0.005 . 1 . . 1134 . . 20 LEU H . 19848 1 213 . 1 . 1 20 20 LEU HA H 1 5.012 0.005 . 1 . . 577 . . 20 LEU HA . 19848 1 214 . 1 . 1 20 20 LEU HB2 H 1 0.881 0.005 . 2 . . 580 . . 20 LEU HB2 . 19848 1 215 . 1 . 1 20 20 LEU HB3 H 1 0.986 0.007 . 2 . . 579 . . 20 LEU HB3 . 19848 1 216 . 1 . 1 20 20 LEU HG H 1 0.744 0.003 . 1 . . 586 . . 20 LEU HG . 19848 1 217 . 1 . 1 20 20 LEU HD11 H 1 0.266 0.006 . 2 . . 584 . . 20 LEU HD11 . 19848 1 218 . 1 . 1 20 20 LEU HD12 H 1 0.266 0.006 . 2 . . 584 . . 20 LEU HD12 . 19848 1 219 . 1 . 1 20 20 LEU HD13 H 1 0.266 0.006 . 2 . . 584 . . 20 LEU HD13 . 19848 1 220 . 1 . 1 20 20 LEU HD21 H 1 0.166 0.005 . 2 . . 582 . . 20 LEU HD21 . 19848 1 221 . 1 . 1 20 20 LEU HD22 H 1 0.166 0.005 . 2 . . 582 . . 20 LEU HD22 . 19848 1 222 . 1 . 1 20 20 LEU HD23 H 1 0.166 0.005 . 2 . . 582 . . 20 LEU HD23 . 19848 1 223 . 1 . 1 20 20 LEU CA C 13 53.055 0.028 . 1 . . 576 . . 20 LEU CA . 19848 1 224 . 1 . 1 20 20 LEU CB C 13 46.162 . . 1 . . 578 . . 20 LEU CB . 19848 1 225 . 1 . 1 20 20 LEU CG C 13 26.997 0.01 . 1 . . 585 . . 20 LEU CG . 19848 1 226 . 1 . 1 20 20 LEU CD1 C 13 25.470 0.013 . 2 . . 583 . . 20 LEU CD1 . 19848 1 227 . 1 . 1 20 20 LEU CD2 C 13 26.073 0.015 . 2 . . 581 . . 20 LEU CD2 . 19848 1 228 . 1 . 1 20 20 LEU N N 15 120.411 0.035 . 1 . . 1135 . . 20 LEU N . 19848 1 229 . 1 . 1 21 21 GLU H H 1 8.537 0.008 . 1 . . 1027 . . 21 GLU H . 19848 1 230 . 1 . 1 21 21 GLU HA H 1 5.034 0.002 . 1 . . 838 . . 21 GLU HA . 19848 1 231 . 1 . 1 21 21 GLU HB2 H 1 1.687 0.002 . 1 . . 839 . . 21 GLU HB2 . 19848 1 232 . 1 . 1 21 21 GLU HG2 H 1 1.746 . . 2 . . 842 . . 21 GLU HG2 . 19848 1 233 . 1 . 1 21 21 GLU HG3 H 1 1.851 0.003 . 2 . . 841 . . 21 GLU HG3 . 19848 1 234 . 1 . 1 21 21 GLU C C 13 175.135 . . 1 . . 987 . . 21 GLU C . 19848 1 235 . 1 . 1 21 21 GLU CA C 13 54.280 0.033 . 1 . . 837 . . 21 GLU CA . 19848 1 236 . 1 . 1 21 21 GLU CB C 13 33.907 . . 1 . . 988 . . 21 GLU CB . 19848 1 237 . 1 . 1 21 21 GLU CG C 13 36.674 0.003 . 1 . . 840 . . 21 GLU CG . 19848 1 238 . 1 . 1 21 21 GLU N N 15 121.645 0.025 . 1 . . 1026 . . 21 GLU N . 19848 1 239 . 1 . 1 22 22 ILE H H 1 8.646 0.009 . 1 . . 89 . . 22 ILE H . 19848 1 240 . 1 . 1 22 22 ILE HA H 1 4.907 0.003 . 1 . . 350 . . 22 ILE HA . 19848 1 241 . 1 . 1 22 22 ILE HB H 1 0.845 0.006 . 1 . . 466 . . 22 ILE HB . 19848 1 242 . 1 . 1 22 22 ILE HG12 H 1 0.342 0.006 . 2 . . 464 . . 22 ILE HG12 . 19848 1 243 . 1 . 1 22 22 ILE HG13 H 1 0.736 0.004 . 2 . . 467 . . 22 ILE HG13 . 19848 1 244 . 1 . 1 22 22 ILE HG21 H 1 0.164 0.005 . 1 . . 463 . . 22 ILE HG21 . 19848 1 245 . 1 . 1 22 22 ILE HG22 H 1 0.164 0.005 . 1 . . 463 . . 22 ILE HG22 . 19848 1 246 . 1 . 1 22 22 ILE HG23 H 1 0.164 0.005 . 1 . . 463 . . 22 ILE HG23 . 19848 1 247 . 1 . 1 22 22 ILE HD11 H 1 -0.104 0.003 . 1 . . 461 . . 22 ILE HD11 . 19848 1 248 . 1 . 1 22 22 ILE HD12 H 1 -0.104 0.003 . 1 . . 461 . . 22 ILE HD12 . 19848 1 249 . 1 . 1 22 22 ILE HD13 H 1 -0.104 0.003 . 1 . . 461 . . 22 ILE HD13 . 19848 1 250 . 1 . 1 22 22 ILE C C 13 174.708 . . 1 . . 646 . . 22 ILE C . 19848 1 251 . 1 . 1 22 22 ILE CA C 13 57.911 0.05 . 1 . . 90 . . 22 ILE CA . 19848 1 252 . 1 . 1 22 22 ILE CB C 13 39.813 0.053 . 1 . . 465 . . 22 ILE CB . 19848 1 253 . 1 . 1 22 22 ILE CG1 C 13 27.633 0.021 . 1 . . 468 . . 22 ILE CG1 . 19848 1 254 . 1 . 1 22 22 ILE CG2 C 13 15.580 0.022 . 1 . . 462 . . 22 ILE CG2 . 19848 1 255 . 1 . 1 22 22 ILE CD1 C 13 12.549 0.01 . 1 . . 460 . . 22 ILE CD1 . 19848 1 256 . 1 . 1 22 22 ILE N N 15 123.928 0.1 . 1 . . 91 . . 22 ILE N . 19848 1 257 . 1 . 1 23 23 ASP H H 1 9.775 0.008 . 1 . . 86 . . 23 ASP H . 19848 1 258 . 1 . 1 23 23 ASP HA H 1 4.336 0.005 . 1 . . 645 . . 23 ASP HA . 19848 1 259 . 1 . 1 23 23 ASP HB2 H 1 3.004 0.004 . 2 . . 649 . . 23 ASP HB2 . 19848 1 260 . 1 . 1 23 23 ASP HB3 H 1 2.760 0.004 . 2 . . 648 . . 23 ASP HB3 . 19848 1 261 . 1 . 1 23 23 ASP C C 13 176.219 . . 1 . . 644 . . 23 ASP C . 19848 1 262 . 1 . 1 23 23 ASP CA C 13 55.815 0.03 . 1 . . 87 . . 23 ASP CA . 19848 1 263 . 1 . 1 23 23 ASP CB C 13 39.727 0.065 . 1 . . 647 . . 23 ASP CB . 19848 1 264 . 1 . 1 23 23 ASP N N 15 128.270 0.025 . 1 . . 88 . . 23 ASP N . 19848 1 265 . 1 . 1 24 24 GLY H H 1 8.497 0.009 . 1 . . 83 . . 24 GLY H . 19848 1 266 . 1 . 1 24 24 GLY HA2 H 1 3.467 0.006 . 2 . . 651 . . 24 GLY HA2 . 19848 1 267 . 1 . 1 24 24 GLY HA3 H 1 4.081 0.004 . 2 . . 650 . . 24 GLY HA3 . 19848 1 268 . 1 . 1 24 24 GLY CA C 13 45.332 0.034 . 1 . . 85 . . 24 GLY CA . 19848 1 269 . 1 . 1 24 24 GLY N N 15 102.182 0.041 . 1 . . 84 . . 24 GLY N . 19848 1 270 . 1 . 1 25 25 LEU H H 1 8.256 0.004 . 1 . . 1018 . . 25 LEU H . 19848 1 271 . 1 . 1 25 25 LEU HA H 1 4.582 0.003 . 1 . . 845 . . 25 LEU HA . 19848 1 272 . 1 . 1 25 25 LEU HB2 H 1 2.027 0.005 . 2 . . 844 . . 25 LEU HB2 . 19848 1 273 . 1 . 1 25 25 LEU HB3 H 1 1.599 0.004 . 2 . . 847 . . 25 LEU HB3 . 19848 1 274 . 1 . 1 25 25 LEU HG H 1 1.707 0.002 . 1 . . 849 . . 25 LEU HG . 19848 1 275 . 1 . 1 25 25 LEU HD11 H 1 1.091 0.002 . 2 . . 850 . . 25 LEU HD11 . 19848 1 276 . 1 . 1 25 25 LEU HD12 H 1 1.091 0.002 . 2 . . 850 . . 25 LEU HD12 . 19848 1 277 . 1 . 1 25 25 LEU HD13 H 1 1.091 0.002 . 2 . . 850 . . 25 LEU HD13 . 19848 1 278 . 1 . 1 25 25 LEU HD21 H 1 0.941 0.006 . 2 . . 851 . . 25 LEU HD21 . 19848 1 279 . 1 . 1 25 25 LEU HD22 H 1 0.941 0.006 . 2 . . 851 . . 25 LEU HD22 . 19848 1 280 . 1 . 1 25 25 LEU HD23 H 1 0.941 0.006 . 2 . . 851 . . 25 LEU HD23 . 19848 1 281 . 1 . 1 25 25 LEU CA C 13 53.707 0.018 . 1 . . 843 . . 25 LEU CA . 19848 1 282 . 1 . 1 25 25 LEU CB C 13 42.616 0.004 . 1 . . 846 . . 25 LEU CB . 19848 1 283 . 1 . 1 25 25 LEU CG C 13 26.979 0.007 . 1 . . 848 . . 25 LEU CG . 19848 1 284 . 1 . 1 25 25 LEU CD1 C 13 25.500 0.012 . 2 . . 852 . . 25 LEU CD1 . 19848 1 285 . 1 . 1 25 25 LEU CD2 C 13 23.765 0.013 . 2 . . 853 . . 25 LEU CD2 . 19848 1 286 . 1 . 1 25 25 LEU N N 15 122.939 0.019 . 1 . . 1017 . . 25 LEU N . 19848 1 287 . 1 . 1 26 26 HIS H H 1 9.131 0.039 . 1 . . 1088 . . 26 HIS H . 19848 1 288 . 1 . 1 26 26 HIS HA H 1 4.570 . . 1 . . 1186 . . 26 HIS HA . 19848 1 289 . 1 . 1 26 26 HIS HB2 H 1 3.282 0.007 . 2 . . 1188 . . 26 HIS HB2 . 19848 1 290 . 1 . 1 26 26 HIS HB3 H 1 3.274 0.007 . 2 . . 1189 . . 26 HIS HB3 . 19848 1 291 . 1 . 1 26 26 HIS CA C 13 56.262 0.076 . 1 . . 82 . . 26 HIS CA . 19848 1 292 . 1 . 1 26 26 HIS CB C 13 28.868 0.027 . 1 . . 1187 . . 26 HIS CB . 19848 1 293 . 1 . 1 26 26 HIS N N 15 122.086 0.149 . 1 . . 1089 . . 26 HIS N . 19848 1 294 . 1 . 1 27 27 ALA H H 1 8.712 0.01 . 1 . . 1086 . . 27 ALA H . 19848 1 295 . 1 . 1 27 27 ALA HA H 1 4.570 0.003 . 1 . . 985 . . 27 ALA HA . 19848 1 296 . 1 . 1 27 27 ALA HB1 H 1 1.308 0.004 . 1 . . 1051 . . 27 ALA HB1 . 19848 1 297 . 1 . 1 27 27 ALA HB2 H 1 1.308 0.004 . 1 . . 1051 . . 27 ALA HB2 . 19848 1 298 . 1 . 1 27 27 ALA HB3 H 1 1.308 0.004 . 1 . . 1051 . . 27 ALA HB3 . 19848 1 299 . 1 . 1 27 27 ALA C C 13 174.362 . . 1 . . 1123 . . 27 ALA C . 19848 1 300 . 1 . 1 27 27 ALA CA C 13 52.228 0.002 . 1 . . 984 . . 27 ALA CA . 19848 1 301 . 1 . 1 27 27 ALA CB C 13 19.662 0.02 . 1 . . 1085 . . 27 ALA CB . 19848 1 302 . 1 . 1 27 27 ALA N N 15 130.070 0.023 . 1 . . 1087 . . 27 ALA N . 19848 1 303 . 1 . 1 28 28 TRP H H 1 9.127 0.019 . 1 . . 1090 . . 28 TRP H . 19848 1 304 . 1 . 1 28 28 TRP HA H 1 4.799 0.006 . 1 . . 1096 . . 28 TRP HA . 19848 1 305 . 1 . 1 28 28 TRP HB2 H 1 3.244 0.004 . 2 . . 1098 . . 28 TRP HB2 . 19848 1 306 . 1 . 1 28 28 TRP HB3 H 1 3.559 0.002 . 2 . . 1097 . . 28 TRP HB3 . 19848 1 307 . 1 . 1 28 28 TRP HD1 H 1 7.350 0.002 . 1 . . 1102 . . 28 TRP HD1 . 19848 1 308 . 1 . 1 28 28 TRP HE1 H 1 10.373 0.002 . 1 . . 1111 . . 28 TRP HE1 . 19848 1 309 . 1 . 1 28 28 TRP HE3 H 1 7.540 0.009 . 1 . . 1104 . . 28 TRP HE3 . 19848 1 310 . 1 . 1 28 28 TRP HZ2 H 1 7.395 0.002 . 1 . . 1109 . . 28 TRP HZ2 . 19848 1 311 . 1 . 1 28 28 TRP HZ3 H 1 7.052 0.001 . 1 . . 1106 . . 28 TRP HZ3 . 19848 1 312 . 1 . 1 28 28 TRP HH2 H 1 7.121 0.001 . 1 . . 1108 . . 28 TRP HH2 . 19848 1 313 . 1 . 1 28 28 TRP CA C 13 58.450 0.025 . 1 . . 1092 . . 28 TRP CA . 19848 1 314 . 1 . 1 28 28 TRP CB C 13 29.941 . . 1 . . 1099 . . 28 TRP CB . 19848 1 315 . 1 . 1 28 28 TRP CD1 C 13 126.316 0.013 . 1 . . 1101 . . 28 TRP CD1 . 19848 1 316 . 1 . 1 28 28 TRP CE3 C 13 120.925 0.015 . 1 . . 1103 . . 28 TRP CE3 . 19848 1 317 . 1 . 1 28 28 TRP CZ2 C 13 114.453 0.006 . 1 . . 1110 . . 28 TRP CZ2 . 19848 1 318 . 1 . 1 28 28 TRP CZ3 C 13 121.937 0.034 . 1 . . 1105 . . 28 TRP CZ3 . 19848 1 319 . 1 . 1 28 28 TRP CH2 C 13 124.578 0.035 . 1 . . 1107 . . 28 TRP CH2 . 19848 1 320 . 1 . 1 28 28 TRP N N 15 124.794 0.145 . 1 . . 1091 . . 28 TRP N . 19848 1 321 . 1 . 1 28 28 TRP NE1 N 15 129.951 0.024 . 1 . . 1112 . . 28 TRP NE1 . 19848 1 322 . 1 . 1 29 29 ARG H H 1 7.786 0.012 . 1 . . 1093 . . 29 ARG H . 19848 1 323 . 1 . 1 29 29 ARG HA H 1 4.540 0.004 . 1 . . 1016 . . 29 ARG HA . 19848 1 324 . 1 . 1 29 29 ARG HB2 H 1 1.374 0.01 . 2 . . 1025 . . 29 ARG HB2 . 19848 1 325 . 1 . 1 29 29 ARG HB3 H 1 1.296 0.001 . 2 . . 1100 . . 29 ARG HB3 . 19848 1 326 . 1 . 1 29 29 ARG HG2 H 1 1.024 0.016 . 2 . . 1023 . . 29 ARG HG2 . 19848 1 327 . 1 . 1 29 29 ARG HG3 H 1 1.135 0.02 . 2 . . 1022 . . 29 ARG HG3 . 19848 1 328 . 1 . 1 29 29 ARG HD2 H 1 2.720 0.005 . 1 . . 1020 . . 29 ARG HD2 . 19848 1 329 . 1 . 1 29 29 ARG CA C 13 55.013 0.025 . 1 . . 1095 . . 29 ARG CA . 19848 1 330 . 1 . 1 29 29 ARG CB C 13 33.467 . . 1 . . 1024 . . 29 ARG CB . 19848 1 331 . 1 . 1 29 29 ARG CG C 13 26.481 . . 1 . . 1021 . . 29 ARG CG . 19848 1 332 . 1 . 1 29 29 ARG CD C 13 43.154 . . 1 . . 1019 . . 29 ARG CD . 19848 1 333 . 1 . 1 29 29 ARG N N 15 115.650 0.081 . 1 . . 1094 . . 29 ARG N . 19848 1 334 . 1 . 1 30 30 PHE H H 1 8.199 0.007 . 1 . . 310 . . 30 PHE H . 19848 1 335 . 1 . 1 30 30 PHE HA H 1 5.568 0.004 . 1 . . 363 . . 30 PHE HA . 19848 1 336 . 1 . 1 30 30 PHE HB2 H 1 3.092 0.005 . 2 . . 594 . . 30 PHE HB2 . 19848 1 337 . 1 . 1 30 30 PHE HB3 H 1 2.974 0.007 . 2 . . 593 . . 30 PHE HB3 . 19848 1 338 . 1 . 1 30 30 PHE HD1 H 1 6.821 0.004 . 1 . . 867 . . 30 PHE HD1 . 19848 1 339 . 1 . 1 30 30 PHE HD2 H 1 6.821 0.004 . 1 . . 868 . . 30 PHE HD2 . 19848 1 340 . 1 . 1 30 30 PHE HE1 H 1 7.077 0.004 . 1 . . 870 . . 30 PHE HE1 . 19848 1 341 . 1 . 1 30 30 PHE HE2 H 1 7.077 0.004 . 1 . . 871 . . 30 PHE HE2 . 19848 1 342 . 1 . 1 30 30 PHE HZ H 1 7.231 0.01 . 1 . . 869 . . 30 PHE HZ . 19848 1 343 . 1 . 1 30 30 PHE C C 13 172.715 . . 1 . . 1140 . . 30 PHE C . 19848 1 344 . 1 . 1 30 30 PHE CA C 13 56.033 0.009 . 1 . . 312 . . 30 PHE CA . 19848 1 345 . 1 . 1 30 30 PHE CB C 13 42.685 0.04 . 1 . . 311 . . 30 PHE CB . 19848 1 346 . 1 . 1 30 30 PHE CD1 C 13 132.005 0.016 . 1 . . 900 . . 30 PHE CD1 . 19848 1 347 . 1 . 1 30 30 PHE CD2 C 13 132.005 0.016 . 1 . . 901 . . 30 PHE CD2 . 19848 1 348 . 1 . 1 30 30 PHE CE1 C 13 130.855 0.072 . 1 . . 902 . . 30 PHE CE1 . 19848 1 349 . 1 . 1 30 30 PHE CE2 C 13 130.855 0.072 . 1 . . 903 . . 30 PHE CE2 . 19848 1 350 . 1 . 1 30 30 PHE CZ C 13 130.711 0.012 . 1 . . 906 . . 30 PHE CZ . 19848 1 351 . 1 . 1 30 30 PHE N N 15 117.799 0.026 . 1 . . 1015 . . 30 PHE N . 19848 1 352 . 1 . 1 31 31 GLU H H 1 9.274 0.005 . 1 . . 308 . . 31 GLU H . 19848 1 353 . 1 . 1 31 31 GLU HA H 1 4.669 0.007 . 1 . . 365 . . 31 GLU HA . 19848 1 354 . 1 . 1 31 31 GLU HB2 H 1 1.987 0.005 . 2 . . 989 . . 31 GLU HB2 . 19848 1 355 . 1 . 1 31 31 GLU HB3 H 1 2.047 0.007 . 2 . . 990 . . 31 GLU HB3 . 19848 1 356 . 1 . 1 31 31 GLU HG2 H 1 2.247 0.008 . 2 . . 993 . . 31 GLU HG2 . 19848 1 357 . 1 . 1 31 31 GLU HG3 H 1 2.239 0.007 . 2 . . 992 . . 31 GLU HG3 . 19848 1 358 . 1 . 1 31 31 GLU C C 13 174.177 . . 1 . . 1141 . . 31 GLU C . 19848 1 359 . 1 . 1 31 31 GLU CA C 13 54.880 0.033 . 1 . . 307 . . 31 GLU CA . 19848 1 360 . 1 . 1 31 31 GLU CB C 13 34.196 0.066 . 1 . . 309 . . 31 GLU CB . 19848 1 361 . 1 . 1 31 31 GLU CG C 13 35.848 . . 1 . . 991 . . 31 GLU CG . 19848 1 362 . 1 . 1 31 31 GLU N N 15 119.040 0.031 . 1 . . 306 . . 31 GLU N . 19848 1 363 . 1 . 1 32 32 LEU H H 1 8.755 0.004 . 1 . . 302 . . 32 LEU H . 19848 1 364 . 1 . 1 32 32 LEU HA H 1 5.754 0.002 . 1 . . 514 . . 32 LEU HA . 19848 1 365 . 1 . 1 32 32 LEU HB2 H 1 1.214 0.003 . 2 . . 518 . . 32 LEU HB2 . 19848 1 366 . 1 . 1 32 32 LEU HB3 H 1 1.751 0.003 . 2 . . 515 . . 32 LEU HB3 . 19848 1 367 . 1 . 1 32 32 LEU HG H 1 1.749 0.003 . 1 . . 520 . . 32 LEU HG . 19848 1 368 . 1 . 1 32 32 LEU HD11 H 1 0.971 0.004 . 2 . . 516 . . 32 LEU HD11 . 19848 1 369 . 1 . 1 32 32 LEU HD12 H 1 0.971 0.004 . 2 . . 516 . . 32 LEU HD12 . 19848 1 370 . 1 . 1 32 32 LEU HD13 H 1 0.971 0.004 . 2 . . 516 . . 32 LEU HD13 . 19848 1 371 . 1 . 1 32 32 LEU HD21 H 1 0.867 0.003 . 2 . . 517 . . 32 LEU HD21 . 19848 1 372 . 1 . 1 32 32 LEU HD22 H 1 0.867 0.003 . 2 . . 517 . . 32 LEU HD22 . 19848 1 373 . 1 . 1 32 32 LEU HD23 H 1 0.867 0.003 . 2 . . 517 . . 32 LEU HD23 . 19848 1 374 . 1 . 1 32 32 LEU C C 13 177.413 . . 1 . . 513 . . 32 LEU C . 19848 1 375 . 1 . 1 32 32 LEU CA C 13 52.405 0.027 . 1 . . 305 . . 32 LEU CA . 19848 1 376 . 1 . 1 32 32 LEU CB C 13 44.293 0.028 . 1 . . 303 . . 32 LEU CB . 19848 1 377 . 1 . 1 32 32 LEU CG C 13 28.089 0.008 . 1 . . 519 . . 32 LEU CG . 19848 1 378 . 1 . 1 32 32 LEU CD1 C 13 25.005 0.017 . 2 . . 522 . . 32 LEU CD1 . 19848 1 379 . 1 . 1 32 32 LEU CD2 C 13 25.805 0.032 . 2 . . 521 . . 32 LEU CD2 . 19848 1 380 . 1 . 1 32 32 LEU N N 15 122.224 0.026 . 1 . . 304 . . 32 LEU N . 19848 1 381 . 1 . 1 33 33 ASN H H 1 7.798 0.006 . 1 . . 301 . . 33 ASN H . 19848 1 382 . 1 . 1 33 33 ASN HA H 1 4.052 0.005 . 1 . . 600 . . 33 ASN HA . 19848 1 383 . 1 . 1 33 33 ASN HB2 H 1 -0.142 0.007 . 2 . . 1012 . . 33 ASN HB2 . 19848 1 384 . 1 . 1 33 33 ASN HB3 H 1 2.447 0.009 . 2 . . 652 . . 33 ASN HB3 . 19848 1 385 . 1 . 1 33 33 ASN HD21 H 1 6.650 0.002 . 1 . . 1078 . . 33 ASN HD21 . 19848 1 386 . 1 . 1 33 33 ASN HD22 H 1 6.757 0.008 . 1 . . 1076 . . 33 ASN HD22 . 19848 1 387 . 1 . 1 33 33 ASN C C 13 174.905 . . 1 . . 956 . . 33 ASN C . 19848 1 388 . 1 . 1 33 33 ASN CA C 13 50.972 0.06 . 1 . . 1011 . . 33 ASN CA . 19848 1 389 . 1 . 1 33 33 ASN CB C 13 36.513 0.049 . 1 . . 300 . . 33 ASN CB . 19848 1 390 . 1 . 1 33 33 ASN N N 15 118.878 0.026 . 1 . . 299 . . 33 ASN N . 19848 1 391 . 1 . 1 33 33 ASN ND2 N 15 112.339 0.063 . 1 . . 1077 . . 33 ASN ND2 . 19848 1 392 . 1 . 1 34 34 GLU H H 1 7.893 0.008 . 1 . . 295 . . 34 GLU H . 19848 1 393 . 1 . 1 34 34 GLU HA H 1 3.782 0.004 . 1 . . 958 . . 34 GLU HA . 19848 1 394 . 1 . 1 34 34 GLU HB2 H 1 2.091 0.007 . 2 . . 959 . . 34 GLU HB2 . 19848 1 395 . 1 . 1 34 34 GLU HB3 H 1 1.906 0.006 . 2 . . 960 . . 34 GLU HB3 . 19848 1 396 . 1 . 1 34 34 GLU HG2 H 1 2.234 0.012 . 2 . . 963 . . 34 GLU HG2 . 19848 1 397 . 1 . 1 34 34 GLU HG3 H 1 2.392 0.012 . 2 . . 962 . . 34 GLU HG3 . 19848 1 398 . 1 . 1 34 34 GLU C C 13 177.677 . . 1 . . 957 . . 34 GLU C . 19848 1 399 . 1 . 1 34 34 GLU CA C 13 59.363 0.077 . 1 . . 298 . . 34 GLU CA . 19848 1 400 . 1 . 1 34 34 GLU CB C 13 29.002 . . 1 . . 296 . . 34 GLU CB . 19848 1 401 . 1 . 1 34 34 GLU CG C 13 35.510 0.01 . 1 . . 961 . . 34 GLU CG . 19848 1 402 . 1 . 1 34 34 GLU N N 15 125.410 0.038 . 1 . . 297 . . 34 GLU N . 19848 1 403 . 1 . 1 35 35 ASN H H 1 8.009 0.004 . 1 . . 291 . . 35 ASN H . 19848 1 404 . 1 . 1 35 35 ASN HA H 1 4.332 0.004 . 1 . . 819 . . 35 ASN HA . 19848 1 405 . 1 . 1 35 35 ASN HB2 H 1 2.654 0.006 . 2 . . 821 . . 35 ASN HB2 . 19848 1 406 . 1 . 1 35 35 ASN HB3 H 1 2.754 0.001 . 2 . . 820 . . 35 ASN HB3 . 19848 1 407 . 1 . 1 35 35 ASN HD21 H 1 6.943 0.002 . 1 . . 1060 . . 35 ASN HD21 . 19848 1 408 . 1 . 1 35 35 ASN HD22 H 1 7.746 0.003 . 1 . . 1059 . . 35 ASN HD22 . 19848 1 409 . 1 . 1 35 35 ASN C C 13 177.433 0.038 . 1 . . 818 . . 35 ASN C . 19848 1 410 . 1 . 1 35 35 ASN CA C 13 56.386 0.035 . 1 . . 292 . . 35 ASN CA . 19848 1 411 . 1 . 1 35 35 ASN CB C 13 38.540 0.006 . 1 . . 294 . . 35 ASN CB . 19848 1 412 . 1 . 1 35 35 ASN N N 15 116.447 0.026 . 1 . . 293 . . 35 ASN N . 19848 1 413 . 1 . 1 35 35 ASN ND2 N 15 113.443 0.026 . 1 . . 1058 . . 35 ASN ND2 . 19848 1 414 . 1 . 1 36 36 LEU H H 1 6.768 0.006 . 1 . . 44 . . 36 LEU H . 19848 1 415 . 1 . 1 36 36 LEU HA H 1 3.929 0.003 . 1 . . 355 . . 36 LEU HA . 19848 1 416 . 1 . 1 36 36 LEU HB2 H 1 1.261 0.002 . 2 . . 506 . . 36 LEU HB2 . 19848 1 417 . 1 . 1 36 36 LEU HB3 H 1 1.437 0.004 . 2 . . 505 . . 36 LEU HB3 . 19848 1 418 . 1 . 1 36 36 LEU HG H 1 1.433 0.003 . 1 . . 508 . . 36 LEU HG . 19848 1 419 . 1 . 1 36 36 LEU HD11 H 1 0.853 0.004 . 2 . . 510 . . 36 LEU HD11 . 19848 1 420 . 1 . 1 36 36 LEU HD12 H 1 0.853 0.004 . 2 . . 510 . . 36 LEU HD12 . 19848 1 421 . 1 . 1 36 36 LEU HD13 H 1 0.853 0.004 . 2 . . 510 . . 36 LEU HD13 . 19848 1 422 . 1 . 1 36 36 LEU HD21 H 1 0.658 0.002 . 2 . . 512 . . 36 LEU HD21 . 19848 1 423 . 1 . 1 36 36 LEU HD22 H 1 0.658 0.002 . 2 . . 512 . . 36 LEU HD22 . 19848 1 424 . 1 . 1 36 36 LEU HD23 H 1 0.658 0.002 . 2 . . 512 . . 36 LEU HD23 . 19848 1 425 . 1 . 1 36 36 LEU C C 13 178.770 0.034 . 1 . . 504 . . 36 LEU C . 19848 1 426 . 1 . 1 36 36 LEU CA C 13 57.061 0.035 . 1 . . 45 . . 36 LEU CA . 19848 1 427 . 1 . 1 36 36 LEU CB C 13 42.654 0.021 . 1 . . 47 . . 36 LEU CB . 19848 1 428 . 1 . 1 36 36 LEU CG C 13 27.401 . . 1 . . 507 . . 36 LEU CG . 19848 1 429 . 1 . 1 36 36 LEU CD1 C 13 24.998 0.007 . 2 . . 509 . . 36 LEU CD1 . 19848 1 430 . 1 . 1 36 36 LEU CD2 C 13 27.347 0.008 . 2 . . 511 . . 36 LEU CD2 . 19848 1 431 . 1 . 1 36 36 LEU N N 15 122.239 0.024 . 1 . . 46 . . 36 LEU N . 19848 1 432 . 1 . 1 37 37 LEU H H 1 7.708 0.006 . 1 . . 39 . . 37 LEU H . 19848 1 433 . 1 . 1 37 37 LEU HA H 1 3.740 0.006 . 1 . . 495 . . 37 LEU HA . 19848 1 434 . 1 . 1 37 37 LEU HB2 H 1 1.351 0.006 . 2 . . 497 . . 37 LEU HB2 . 19848 1 435 . 1 . 1 37 37 LEU HB3 H 1 1.733 0.005 . 2 . . 496 . . 37 LEU HB3 . 19848 1 436 . 1 . 1 37 37 LEU HG H 1 1.581 0.003 . 1 . . 500 . . 37 LEU HG . 19848 1 437 . 1 . 1 37 37 LEU HD11 H 1 0.801 0.004 . 2 . . 499 . . 37 LEU HD11 . 19848 1 438 . 1 . 1 37 37 LEU HD12 H 1 0.801 0.004 . 2 . . 499 . . 37 LEU HD12 . 19848 1 439 . 1 . 1 37 37 LEU HD13 H 1 0.801 0.004 . 2 . . 499 . . 37 LEU HD13 . 19848 1 440 . 1 . 1 37 37 LEU HD21 H 1 0.743 0.005 . 2 . . 502 . . 37 LEU HD21 . 19848 1 441 . 1 . 1 37 37 LEU HD22 H 1 0.743 0.005 . 2 . . 502 . . 37 LEU HD22 . 19848 1 442 . 1 . 1 37 37 LEU HD23 H 1 0.743 0.005 . 2 . . 502 . . 37 LEU HD23 . 19848 1 443 . 1 . 1 37 37 LEU C C 13 179.335 . . 1 . . 494 . . 37 LEU C . 19848 1 444 . 1 . 1 37 37 LEU CA C 13 57.695 0.046 . 1 . . 42 . . 37 LEU CA . 19848 1 445 . 1 . 1 37 37 LEU CB C 13 40.112 0.034 . 1 . . 41 . . 37 LEU CB . 19848 1 446 . 1 . 1 37 37 LEU CG C 13 26.728 0.05 . 1 . . 503 . . 37 LEU CG . 19848 1 447 . 1 . 1 37 37 LEU CD1 C 13 23.344 0.048 . 2 . . 498 . . 37 LEU CD1 . 19848 1 448 . 1 . 1 37 37 LEU CD2 C 13 25.838 0.057 . 2 . . 501 . . 37 LEU CD2 . 19848 1 449 . 1 . 1 37 37 LEU N N 15 118.468 0.019 . 1 . . 40 . . 37 LEU N . 19848 1 450 . 1 . 1 38 38 ASP H H 1 8.032 0.009 . 1 . . 36 . . 38 ASP H . 19848 1 451 . 1 . 1 38 38 ASP HA H 1 4.285 0.011 . 1 . . 491 . . 38 ASP HA . 19848 1 452 . 1 . 1 38 38 ASP HB2 H 1 2.559 0.006 . 2 . . 493 . . 38 ASP HB2 . 19848 1 453 . 1 . 1 38 38 ASP HB3 H 1 2.796 0.006 . 2 . . 492 . . 38 ASP HB3 . 19848 1 454 . 1 . 1 38 38 ASP C C 13 179.021 0.018 . 1 . . 490 . . 38 ASP C . 19848 1 455 . 1 . 1 38 38 ASP CA C 13 57.264 0.082 . 1 . . 37 . . 38 ASP CA . 19848 1 456 . 1 . 1 38 38 ASP CB C 13 39.899 0.024 . 1 . . 43 . . 38 ASP CB . 19848 1 457 . 1 . 1 38 38 ASP N N 15 119.550 0.021 . 1 . . 38 . . 38 ASP N . 19848 1 458 . 1 . 1 39 39 GLN H H 1 7.280 0.005 . 1 . . 32 . . 39 GLN H . 19848 1 459 . 1 . 1 39 39 GLN HA H 1 3.745 0.004 . 1 . . 387 . . 39 GLN HA . 19848 1 460 . 1 . 1 39 39 GLN HB2 H 1 1.941 0.003 . 2 . . 486 . . 39 GLN HB2 . 19848 1 461 . 1 . 1 39 39 GLN HB3 H 1 2.115 0.008 . 2 . . 485 . . 39 GLN HB3 . 19848 1 462 . 1 . 1 39 39 GLN HG2 H 1 2.294 0.004 . 2 . . 489 . . 39 GLN HG2 . 19848 1 463 . 1 . 1 39 39 GLN HG3 H 1 2.464 0.003 . 2 . . 488 . . 39 GLN HG3 . 19848 1 464 . 1 . 1 39 39 GLN HE21 H 1 6.777 0.001 . 1 . . 1081 . . 39 GLN HE21 . 19848 1 465 . 1 . 1 39 39 GLN HE22 H 1 7.219 0.001 . 1 . . 1067 . . 39 GLN HE22 . 19848 1 466 . 1 . 1 39 39 GLN C C 13 178.631 0.039 . 1 . . 484 . . 39 GLN C . 19848 1 467 . 1 . 1 39 39 GLN CA C 13 58.710 0.039 . 1 . . 33 . . 39 GLN CA . 19848 1 468 . 1 . 1 39 39 GLN CB C 13 28.282 0.063 . 1 . . 35 . . 39 GLN CB . 19848 1 469 . 1 . 1 39 39 GLN CG C 13 33.988 0.02 . 1 . . 487 . . 39 GLN CG . 19848 1 470 . 1 . 1 39 39 GLN N N 15 119.422 0.03 . 1 . . 34 . . 39 GLN N . 19848 1 471 . 1 . 1 39 39 GLN NE2 N 15 112.088 0.027 . 1 . . 1066 . . 39 GLN NE2 . 19848 1 472 . 1 . 1 40 40 ALA H H 1 7.811 0.01 . 1 . . 28 . . 40 ALA H . 19848 1 473 . 1 . 1 40 40 ALA HA H 1 2.526 0.01 . 1 . . 399 . . 40 ALA HA . 19848 1 474 . 1 . 1 40 40 ALA HB1 H 1 0.849 0.005 . 1 . . 405 . . 40 ALA HB1 . 19848 1 475 . 1 . 1 40 40 ALA HB2 H 1 0.849 0.005 . 1 . . 405 . . 40 ALA HB2 . 19848 1 476 . 1 . 1 40 40 ALA HB3 H 1 0.849 0.005 . 1 . . 405 . . 40 ALA HB3 . 19848 1 477 . 1 . 1 40 40 ALA C C 13 180.378 0.042 . 1 . . 483 . . 40 ALA C . 19848 1 478 . 1 . 1 40 40 ALA CA C 13 54.512 0.077 . 1 . . 29 . . 40 ALA CA . 19848 1 479 . 1 . 1 40 40 ALA CB C 13 17.488 0.038 . 1 . . 31 . . 40 ALA CB . 19848 1 480 . 1 . 1 40 40 ALA N N 15 124.686 0.03 . 1 . . 30 . . 40 ALA N . 19848 1 481 . 1 . 1 41 41 ASP H H 1 8.023 0.015 . 1 . . 25 . . 41 ASP H . 19848 1 482 . 1 . 1 41 41 ASP HA H 1 4.299 0.003 . 1 . . 480 . . 41 ASP HA . 19848 1 483 . 1 . 1 41 41 ASP HB2 H 1 2.589 0.008 . 2 . . 482 . . 41 ASP HB2 . 19848 1 484 . 1 . 1 41 41 ASP HB3 H 1 2.731 0.006 . 2 . . 481 . . 41 ASP HB3 . 19848 1 485 . 1 . 1 41 41 ASP C C 13 178.661 . . 1 . . 471 . . 41 ASP C . 19848 1 486 . 1 . 1 41 41 ASP CA C 13 57.056 0.045 . 1 . . 23 . . 41 ASP CA . 19848 1 487 . 1 . 1 41 41 ASP CB C 13 40.042 0.027 . 1 . . 26 . . 41 ASP CB . 19848 1 488 . 1 . 1 41 41 ASP N N 15 120.308 0.045 . 1 . . 24 . . 41 ASP N . 19848 1 489 . 1 . 1 42 42 LEU H H 1 7.608 0.005 . 1 . . 19 . . 42 LEU H . 19848 1 490 . 1 . 1 42 42 LEU HA H 1 3.949 0.002 . 1 . . 470 . . 42 LEU HA . 19848 1 491 . 1 . 1 42 42 LEU HB2 H 1 1.431 0.008 . 2 . . 473 . . 42 LEU HB2 . 19848 1 492 . 1 . 1 42 42 LEU HB3 H 1 1.687 0.008 . 2 . . 472 . . 42 LEU HB3 . 19848 1 493 . 1 . 1 42 42 LEU HG H 1 1.652 0.004 . 1 . . 475 . . 42 LEU HG . 19848 1 494 . 1 . 1 42 42 LEU HD11 H 1 0.783 0.004 . 2 . . 479 . . 42 LEU HD11 . 19848 1 495 . 1 . 1 42 42 LEU HD12 H 1 0.783 0.004 . 2 . . 479 . . 42 LEU HD12 . 19848 1 496 . 1 . 1 42 42 LEU HD13 H 1 0.783 0.004 . 2 . . 479 . . 42 LEU HD13 . 19848 1 497 . 1 . 1 42 42 LEU HD21 H 1 0.780 0.005 . 2 . . 477 . . 42 LEU HD21 . 19848 1 498 . 1 . 1 42 42 LEU HD22 H 1 0.780 0.005 . 2 . . 477 . . 42 LEU HD22 . 19848 1 499 . 1 . 1 42 42 LEU HD23 H 1 0.780 0.005 . 2 . . 477 . . 42 LEU HD23 . 19848 1 500 . 1 . 1 42 42 LEU C C 13 179.950 . . 1 . . 469 . . 42 LEU C . 19848 1 501 . 1 . 1 42 42 LEU CA C 13 57.686 0.019 . 1 . . 20 . . 42 LEU CA . 19848 1 502 . 1 . 1 42 42 LEU CB C 13 41.789 0.032 . 1 . . 22 . . 42 LEU CB . 19848 1 503 . 1 . 1 42 42 LEU CG C 13 26.825 0.019 . 1 . . 474 . . 42 LEU CG . 19848 1 504 . 1 . 1 42 42 LEU CD1 C 13 25.170 0.031 . 2 . . 478 . . 42 LEU CD1 . 19848 1 505 . 1 . 1 42 42 LEU CD2 C 13 23.374 0.052 . 2 . . 476 . . 42 LEU CD2 . 19848 1 506 . 1 . 1 42 42 LEU N N 15 121.265 0.021 . 1 . . 21 . . 42 LEU N . 19848 1 507 . 1 . 1 43 43 ALA H H 1 7.472 0.008 . 1 . . 16 . . 43 ALA H . 19848 1 508 . 1 . 1 43 43 ALA HA H 1 4.107 0.003 . 1 . . 354 . . 43 ALA HA . 19848 1 509 . 1 . 1 43 43 ALA HB1 H 1 1.448 0.003 . 1 . . 406 . . 43 ALA HB1 . 19848 1 510 . 1 . 1 43 43 ALA HB2 H 1 1.448 0.003 . 1 . . 406 . . 43 ALA HB2 . 19848 1 511 . 1 . 1 43 43 ALA HB3 H 1 1.448 0.003 . 1 . . 406 . . 43 ALA HB3 . 19848 1 512 . 1 . 1 43 43 ALA C C 13 179.356 0.039 . 1 . . 408 . . 43 ALA C . 19848 1 513 . 1 . 1 43 43 ALA CA C 13 54.836 0.045 . 1 . . 17 . . 43 ALA CA . 19848 1 514 . 1 . 1 43 43 ALA CB C 13 18.097 0.033 . 1 . . 27 . . 43 ALA CB . 19848 1 515 . 1 . 1 43 43 ALA N N 15 122.351 0.017 . 1 . . 18 . . 43 ALA N . 19848 1 516 . 1 . 1 44 44 ALA H H 1 7.841 0.008 . 1 . . 13 . . 44 ALA H . 19848 1 517 . 1 . 1 44 44 ALA HA H 1 4.136 0.016 . 1 . . 389 . . 44 ALA HA . 19848 1 518 . 1 . 1 44 44 ALA HB1 H 1 1.478 0.007 . 1 . . 410 . . 44 ALA HB1 . 19848 1 519 . 1 . 1 44 44 ALA HB2 H 1 1.478 0.007 . 1 . . 410 . . 44 ALA HB2 . 19848 1 520 . 1 . 1 44 44 ALA HB3 H 1 1.478 0.007 . 1 . . 410 . . 44 ALA HB3 . 19848 1 521 . 1 . 1 44 44 ALA C C 13 181.814 0.065 . 1 . . 409 . . 44 ALA C . 19848 1 522 . 1 . 1 44 44 ALA CA C 13 55.045 0.061 . 1 . . 14 . . 44 ALA CA . 19848 1 523 . 1 . 1 44 44 ALA CB C 13 17.992 0.043 . 1 . . 325 . . 44 ALA CB . 19848 1 524 . 1 . 1 44 44 ALA N N 15 120.895 0.016 . 1 . . 15 . . 44 ALA N . 19848 1 525 . 1 . 1 45 45 GLU H H 1 8.055 0.009 . 1 . . 10 . . 45 GLU H . 19848 1 526 . 1 . 1 45 45 GLU HA H 1 4.016 0.006 . 1 . . 373 . . 45 GLU HA . 19848 1 527 . 1 . 1 45 45 GLU HB2 H 1 2.053 0.012 . 2 . . 937 . . 45 GLU HB2 . 19848 1 528 . 1 . 1 45 45 GLU HB3 H 1 2.049 0.009 . 2 . . 938 . . 45 GLU HB3 . 19848 1 529 . 1 . 1 45 45 GLU HG2 H 1 2.269 0.01 . 2 . . 940 . . 45 GLU HG2 . 19848 1 530 . 1 . 1 45 45 GLU HG3 H 1 2.356 0.002 . 2 . . 939 . . 45 GLU HG3 . 19848 1 531 . 1 . 1 45 45 GLU C C 13 176.918 . . 1 . . 1147 . . 45 GLU C . 19848 1 532 . 1 . 1 45 45 GLU CA C 13 58.414 0.016 . 1 . . 11 . . 45 GLU CA . 19848 1 533 . 1 . 1 45 45 GLU CB C 13 29.278 0.059 . 1 . . 323 . . 45 GLU CB . 19848 1 534 . 1 . 1 45 45 GLU CG C 13 36.051 0.003 . 1 . . 764 . . 45 GLU CG . 19848 1 535 . 1 . 1 45 45 GLU N N 15 119.036 0.038 . 1 . . 12 . . 45 GLU N . 19848 1 536 . 1 . 1 46 46 ALA H H 1 7.389 0.008 . 1 . . 9 . . 46 ALA H . 19848 1 537 . 1 . 1 46 46 ALA HA H 1 4.396 0.007 . 1 . . 372 . . 46 ALA HA . 19848 1 538 . 1 . 1 46 46 ALA HB1 H 1 1.421 0.007 . 1 . . 427 . . 46 ALA HB1 . 19848 1 539 . 1 . 1 46 46 ALA HB2 H 1 1.421 0.007 . 1 . . 427 . . 46 ALA HB2 . 19848 1 540 . 1 . 1 46 46 ALA HB3 H 1 1.421 0.007 . 1 . . 427 . . 46 ALA HB3 . 19848 1 541 . 1 . 1 46 46 ALA C C 13 176.348 0.011 . 1 . . 426 . . 46 ALA C . 19848 1 542 . 1 . 1 46 46 ALA CA C 13 51.517 0.056 . 1 . . 8 . . 46 ALA CA . 19848 1 543 . 1 . 1 46 46 ALA CB C 13 19.018 0.018 . 1 . . 324 . . 46 ALA CB . 19848 1 544 . 1 . 1 46 46 ALA N N 15 120.960 0.01 . 1 . . 7 . . 46 ALA N . 19848 1 545 . 1 . 1 47 47 ASP H H 1 8.058 0.005 . 1 . . 6 . . 47 ASP H . 19848 1 546 . 1 . 1 47 47 ASP HA H 1 4.271 0.006 . 1 . . 929 . . 47 ASP HA . 19848 1 547 . 1 . 1 47 47 ASP HB2 H 1 2.559 0.006 . 2 . . 932 . . 47 ASP HB2 . 19848 1 548 . 1 . 1 47 47 ASP HB3 H 1 3.014 0.008 . 2 . . 931 . . 47 ASP HB3 . 19848 1 549 . 1 . 1 47 47 ASP C C 13 174.822 . . 1 . . 930 . . 47 ASP C . 19848 1 550 . 1 . 1 47 47 ASP CA C 13 55.339 0.042 . 1 . . 5 . . 47 ASP CA . 19848 1 551 . 1 . 1 47 47 ASP CB C 13 39.585 0.086 . 1 . . 322 . . 47 ASP CB . 19848 1 552 . 1 . 1 47 47 ASP N N 15 118.025 0.018 . 1 . . 4 . . 47 ASP N . 19848 1 553 . 1 . 1 48 48 GLN H H 1 8.117 0.01 . 1 . . 1 . . 48 GLN H . 19848 1 554 . 1 . 1 48 48 GLN HA H 1 4.738 . . 1 . . 933 . . 48 GLN HA . 19848 1 555 . 1 . 1 48 48 GLN HB2 H 1 1.808 0.002 . 2 . . 935 . . 48 GLN HB2 . 19848 1 556 . 1 . 1 48 48 GLN HB3 H 1 2.041 0.002 . 2 . . 934 . . 48 GLN HB3 . 19848 1 557 . 1 . 1 48 48 GLN HG3 H 1 2.321 0.002 . 1 . . 936 . . 48 GLN HG3 . 19848 1 558 . 1 . 1 48 48 GLN HE21 H 1 6.810 0.002 . 1 . . 1082 . . 48 GLN HE21 . 19848 1 559 . 1 . 1 48 48 GLN HE22 H 1 7.365 0.002 . 1 . . 1065 . . 48 GLN HE22 . 19848 1 560 . 1 . 1 48 48 GLN CA C 13 52.289 0.03 . 1 . . 2 . . 48 GLN CA . 19848 1 561 . 1 . 1 48 48 GLN CB C 13 29.999 0.008 . 1 . . 321 . . 48 GLN CB . 19848 1 562 . 1 . 1 48 48 GLN CG C 13 33.197 0.005 . 1 . . 941 . . 48 GLN CG . 19848 1 563 . 1 . 1 48 48 GLN N N 15 117.551 0.017 . 1 . . 3 . . 48 GLN N . 19848 1 564 . 1 . 1 48 48 GLN NE2 N 15 112.557 0.018 . 1 . . 1064 . . 48 GLN NE2 . 19848 1 565 . 1 . 1 49 49 PRO HA H 1 4.411 0.002 . 1 . . 695 . . 49 PRO HA . 19848 1 566 . 1 . 1 49 49 PRO HB2 H 1 1.834 0.006 . 2 . . 699 . . 49 PRO HB2 . 19848 1 567 . 1 . 1 49 49 PRO HB3 H 1 2.229 0.002 . 2 . . 697 . . 49 PRO HB3 . 19848 1 568 . 1 . 1 49 49 PRO HG2 H 1 1.981 . . 2 . . 701 . . 49 PRO HG2 . 19848 1 569 . 1 . 1 49 49 PRO HG3 H 1 1.957 0.018 . 2 . . 702 . . 49 PRO HG3 . 19848 1 570 . 1 . 1 49 49 PRO HD2 H 1 3.607 0.001 . 2 . . 698 . . 49 PRO HD2 . 19848 1 571 . 1 . 1 49 49 PRO HD3 H 1 3.740 0.001 . 2 . . 696 . . 49 PRO HD3 . 19848 1 572 . 1 . 1 49 49 PRO C C 13 175.677 . . 1 . . 694 . . 49 PRO C . 19848 1 573 . 1 . 1 49 49 PRO CA C 13 62.621 0.014 . 1 . . 317 . . 49 PRO CA . 19848 1 574 . 1 . 1 49 49 PRO CB C 13 32.378 0.058 . 1 . . 318 . . 49 PRO CB . 19848 1 575 . 1 . 1 49 49 PRO CG C 13 27.290 0.007 . 1 . . 700 . . 49 PRO CG . 19848 1 576 . 1 . 1 49 49 PRO CD C 13 50.485 0.001 . 1 . . 703 . . 49 PRO CD . 19848 1 577 . 1 . 1 50 50 PHE H H 1 8.489 0.003 . 1 . . 313 . . 50 PHE H . 19848 1 578 . 1 . 1 50 50 PHE HA H 1 4.445 0.004 . 1 . . 654 . . 50 PHE HA . 19848 1 579 . 1 . 1 50 50 PHE HB2 H 1 2.752 0.005 . 2 . . 656 . . 50 PHE HB2 . 19848 1 580 . 1 . 1 50 50 PHE HB3 H 1 2.804 0.003 . 2 . . 655 . . 50 PHE HB3 . 19848 1 581 . 1 . 1 50 50 PHE HD1 H 1 6.684 0.006 . 1 . . 857 . . 50 PHE HD1 . 19848 1 582 . 1 . 1 50 50 PHE HD2 H 1 6.684 0.006 . 1 . . 858 . . 50 PHE HD2 . 19848 1 583 . 1 . 1 50 50 PHE HE1 H 1 6.415 0.004 . 1 . . 859 . . 50 PHE HE1 . 19848 1 584 . 1 . 1 50 50 PHE HE2 H 1 6.415 0.004 . 1 . . 860 . . 50 PHE HE2 . 19848 1 585 . 1 . 1 50 50 PHE HZ H 1 6.806 0.003 . 1 . . 861 . . 50 PHE HZ . 19848 1 586 . 1 . 1 50 50 PHE C C 13 172.546 . . 1 . . 653 . . 50 PHE C . 19848 1 587 . 1 . 1 50 50 PHE CA C 13 58.810 0.031 . 1 . . 316 . . 50 PHE CA . 19848 1 588 . 1 . 1 50 50 PHE CB C 13 42.255 0.011 . 1 . . 314 . . 50 PHE CB . 19848 1 589 . 1 . 1 50 50 PHE CD1 C 13 131.726 0.028 . 1 . . 898 . . 50 PHE CD1 . 19848 1 590 . 1 . 1 50 50 PHE CD2 C 13 131.726 0.028 . 1 . . 899 . . 50 PHE CD2 . 19848 1 591 . 1 . 1 50 50 PHE CE1 C 13 130.662 0.042 . 1 . . 894 . . 50 PHE CE1 . 19848 1 592 . 1 . 1 50 50 PHE CE2 C 13 130.662 0.042 . 1 . . 895 . . 50 PHE CE2 . 19848 1 593 . 1 . 1 50 50 PHE CZ C 13 129.314 0.012 . 1 . . 927 . . 50 PHE CZ . 19848 1 594 . 1 . 1 50 50 PHE N N 15 122.069 0.01 . 1 . . 315 . . 50 PHE N . 19848 1 595 . 1 . 1 51 51 ALA H H 1 7.127 0.008 . 1 . . 224 . . 51 ALA H . 19848 1 596 . 1 . 1 51 51 ALA HA H 1 4.305 0.003 . 1 . . 360 . . 51 ALA HA . 19848 1 597 . 1 . 1 51 51 ALA HB1 H 1 1.276 0.005 . 1 . . 428 . . 51 ALA HB1 . 19848 1 598 . 1 . 1 51 51 ALA HB2 H 1 1.276 0.005 . 1 . . 428 . . 51 ALA HB2 . 19848 1 599 . 1 . 1 51 51 ALA HB3 H 1 1.276 0.005 . 1 . . 428 . . 51 ALA HB3 . 19848 1 600 . 1 . 1 51 51 ALA C C 13 174.959 . . 1 . . 1148 . . 51 ALA C . 19848 1 601 . 1 . 1 51 51 ALA CA C 13 51.228 0.034 . 1 . . 227 . . 51 ALA CA . 19848 1 602 . 1 . 1 51 51 ALA CB C 13 22.106 0.041 . 1 . . 225 . . 51 ALA CB . 19848 1 603 . 1 . 1 51 51 ALA N N 15 129.924 0.064 . 1 . . 226 . . 51 ALA N . 19848 1 604 . 1 . 1 52 52 SER H H 1 8.122 0.002 . 1 . . 333 . . 52 SER H . 19848 1 605 . 1 . 1 52 52 SER HA H 1 4.180 0.011 . 1 . . 383 . . 52 SER HA . 19848 1 606 . 1 . 1 52 52 SER HB2 H 1 3.002 0.004 . 2 . . 658 . . 52 SER HB2 . 19848 1 607 . 1 . 1 52 52 SER HB3 H 1 3.534 0.005 . 2 . . 657 . . 52 SER HB3 . 19848 1 608 . 1 . 1 52 52 SER C C 13 173.469 . . 1 . . 1149 . . 52 SER C . 19848 1 609 . 1 . 1 52 52 SER CA C 13 59.409 0.033 . 1 . . 278 . . 52 SER CA . 19848 1 610 . 1 . 1 52 52 SER CB C 13 64.291 0.069 . 1 . . 279 . . 52 SER CB . 19848 1 611 . 1 . 1 52 52 SER N N 15 111.157 0.019 . 1 . . 334 . . 52 SER N . 19848 1 612 . 1 . 1 53 53 GLU H H 1 8.688 0.003 . 1 . . 274 . . 53 GLU H . 19848 1 613 . 1 . 1 53 53 GLU HA H 1 4.533 0.005 . 1 . . 345 . . 53 GLU HA . 19848 1 614 . 1 . 1 53 53 GLU HB2 H 1 2.401 0.008 . 2 . . 659 . . 53 GLU HB2 . 19848 1 615 . 1 . 1 53 53 GLU HB3 H 1 1.748 0.003 . 2 . . 660 . . 53 GLU HB3 . 19848 1 616 . 1 . 1 53 53 GLU HG2 H 1 2.194 0.004 . 2 . . 663 . . 53 GLU HG2 . 19848 1 617 . 1 . 1 53 53 GLU HG3 H 1 2.371 0.005 . 2 . . 662 . . 53 GLU HG3 . 19848 1 618 . 1 . 1 53 53 GLU C C 13 176.203 . . 1 . . 1150 . . 53 GLU C . 19848 1 619 . 1 . 1 53 53 GLU CA C 13 55.805 0.038 . 1 . . 275 . . 53 GLU CA . 19848 1 620 . 1 . 1 53 53 GLU CB C 13 29.811 0.041 . 1 . . 277 . . 53 GLU CB . 19848 1 621 . 1 . 1 53 53 GLU CG C 13 36.442 0.015 . 1 . . 661 . . 53 GLU CG . 19848 1 622 . 1 . 1 53 53 GLU N N 15 126.215 0.011 . 1 . . 276 . . 53 GLU N . 19848 1 623 . 1 . 1 54 54 ASP H H 1 8.781 0.002 . 1 . . 280 . . 54 ASP H . 19848 1 624 . 1 . 1 54 54 ASP HA H 1 4.626 0.003 . 1 . . 359 . . 54 ASP HA . 19848 1 625 . 1 . 1 54 54 ASP HB2 H 1 2.480 0.008 . 2 . . 665 . . 54 ASP HB2 . 19848 1 626 . 1 . 1 54 54 ASP HB3 H 1 2.547 0.006 . 2 . . 664 . . 54 ASP HB3 . 19848 1 627 . 1 . 1 54 54 ASP C C 13 175.091 . . 1 . . 1151 . . 54 ASP C . 19848 1 628 . 1 . 1 54 54 ASP CA C 13 53.759 0.009 . 1 . . 281 . . 54 ASP CA . 19848 1 629 . 1 . 1 54 54 ASP CB C 13 40.930 . . 1 . . 283 . . 54 ASP CB . 19848 1 630 . 1 . 1 54 54 ASP N N 15 123.083 0.019 . 1 . . 282 . . 54 ASP N . 19848 1 631 . 1 . 1 55 55 TRP H H 1 8.370 0.003 . 1 . . 284 . . 55 TRP H . 19848 1 632 . 1 . 1 55 55 TRP HA H 1 4.300 0.004 . 1 . . 457 . . 55 TRP HA . 19848 1 633 . 1 . 1 55 55 TRP HB2 H 1 3.208 0.002 . 2 . . 459 . . 55 TRP HB2 . 19848 1 634 . 1 . 1 55 55 TRP HB3 H 1 3.076 0.008 . 2 . . 458 . . 55 TRP HB3 . 19848 1 635 . 1 . 1 55 55 TRP HD1 H 1 7.429 0.003 . 1 . . 1115 . . 55 TRP HD1 . 19848 1 636 . 1 . 1 55 55 TRP HE1 H 1 10.216 0.003 . 1 . . 1030 . . 55 TRP HE1 . 19848 1 637 . 1 . 1 55 55 TRP HE3 H 1 7.155 0.002 . 1 . . 1119 . . 55 TRP HE3 . 19848 1 638 . 1 . 1 55 55 TRP HZ2 H 1 7.340 0.003 . 1 . . 1117 . . 55 TRP HZ2 . 19848 1 639 . 1 . 1 55 55 TRP HZ3 H 1 7.073 0.003 . 1 . . 1121 . . 55 TRP HZ3 . 19848 1 640 . 1 . 1 55 55 TRP HH2 H 1 6.848 0.005 . 1 . . 1113 . . 55 TRP HH2 . 19848 1 641 . 1 . 1 55 55 TRP C C 13 172.383 0.01 . 1 . . 450 . . 55 TRP C . 19848 1 642 . 1 . 1 55 55 TRP CA C 13 57.476 0.084 . 1 . . 285 . . 55 TRP CA . 19848 1 643 . 1 . 1 55 55 TRP CB C 13 28.337 0.04 . 1 . . 290 . . 55 TRP CB . 19848 1 644 . 1 . 1 55 55 TRP CD1 C 13 126.867 0.02 . 1 . . 1116 . . 55 TRP CD1 . 19848 1 645 . 1 . 1 55 55 TRP CE3 C 13 119.910 0.003 . 1 . . 1120 . . 55 TRP CE3 . 19848 1 646 . 1 . 1 55 55 TRP CZ2 C 13 114.733 0.027 . 1 . . 1118 . . 55 TRP CZ2 . 19848 1 647 . 1 . 1 55 55 TRP CZ3 C 13 119.042 0.04 . 1 . . 1122 . . 55 TRP CZ3 . 19848 1 648 . 1 . 1 55 55 TRP CH2 C 13 123.286 0.084 . 1 . . 1114 . . 55 TRP CH2 . 19848 1 649 . 1 . 1 55 55 TRP N N 15 120.539 0.036 . 1 . . 286 . . 55 TRP N . 19848 1 650 . 1 . 1 55 55 TRP NE1 N 15 131.174 0.018 . 1 . . 1031 . . 55 TRP NE1 . 19848 1 651 . 1 . 1 56 56 VAL H H 1 9.379 0.006 . 1 . . 287 . . 56 VAL H . 19848 1 652 . 1 . 1 56 56 VAL HA H 1 4.375 0.001 . 1 . . 449 . . 56 VAL HA . 19848 1 653 . 1 . 1 56 56 VAL HB H 1 1.746 0.004 . 1 . . 452 . . 56 VAL HB . 19848 1 654 . 1 . 1 56 56 VAL HG11 H 1 1.165 0.006 . 2 . . 453 . . 56 VAL HG11 . 19848 1 655 . 1 . 1 56 56 VAL HG12 H 1 1.165 0.006 . 2 . . 453 . . 56 VAL HG12 . 19848 1 656 . 1 . 1 56 56 VAL HG13 H 1 1.165 0.006 . 2 . . 453 . . 56 VAL HG13 . 19848 1 657 . 1 . 1 56 56 VAL HG21 H 1 0.823 0.003 . 2 . . 454 . . 56 VAL HG21 . 19848 1 658 . 1 . 1 56 56 VAL HG22 H 1 0.823 0.003 . 2 . . 454 . . 56 VAL HG22 . 19848 1 659 . 1 . 1 56 56 VAL HG23 H 1 0.823 0.003 . 2 . . 454 . . 56 VAL HG23 . 19848 1 660 . 1 . 1 56 56 VAL C C 13 171.991 0.023 . 1 . . 448 . . 56 VAL C . 19848 1 661 . 1 . 1 56 56 VAL CA C 13 59.957 0.036 . 1 . . 288 . . 56 VAL CA . 19848 1 662 . 1 . 1 56 56 VAL CB C 13 36.499 0.007 . 1 . . 451 . . 56 VAL CB . 19848 1 663 . 1 . 1 56 56 VAL CG1 C 13 24.682 0.026 . 2 . . 455 . . 56 VAL CG1 . 19848 1 664 . 1 . 1 56 56 VAL CG2 C 13 21.170 0.022 . 2 . . 456 . . 56 VAL CG2 . 19848 1 665 . 1 . 1 56 56 VAL N N 15 115.758 0.027 . 1 . . 289 . . 56 VAL N . 19848 1 666 . 1 . 1 57 57 LEU H H 1 7.820 0.005 . 1 . . 127 . . 57 LEU H . 19848 1 667 . 1 . 1 57 57 LEU HA H 1 5.659 0.007 . 1 . . 398 . . 57 LEU HA . 19848 1 668 . 1 . 1 57 57 LEU HB2 H 1 1.239 0.005 . 2 . . 547 . . 57 LEU HB2 . 19848 1 669 . 1 . 1 57 57 LEU HB3 H 1 1.760 0.005 . 2 . . 546 . . 57 LEU HB3 . 19848 1 670 . 1 . 1 57 57 LEU HG H 1 1.474 0.006 . 1 . . 553 . . 57 LEU HG . 19848 1 671 . 1 . 1 57 57 LEU HD11 H 1 0.980 0.006 . 2 . . 550 . . 57 LEU HD11 . 19848 1 672 . 1 . 1 57 57 LEU HD12 H 1 0.980 0.006 . 2 . . 550 . . 57 LEU HD12 . 19848 1 673 . 1 . 1 57 57 LEU HD13 H 1 0.980 0.006 . 2 . . 550 . . 57 LEU HD13 . 19848 1 674 . 1 . 1 57 57 LEU HD21 H 1 0.468 0.004 . 2 . . 549 . . 57 LEU HD21 . 19848 1 675 . 1 . 1 57 57 LEU HD22 H 1 0.468 0.004 . 2 . . 549 . . 57 LEU HD22 . 19848 1 676 . 1 . 1 57 57 LEU HD23 H 1 0.468 0.004 . 2 . . 549 . . 57 LEU HD23 . 19848 1 677 . 1 . 1 57 57 LEU C C 13 173.209 . . 1 . . 1124 . . 57 LEU C . 19848 1 678 . 1 . 1 57 57 LEU CA C 13 53.670 0.019 . 1 . . 126 . . 57 LEU CA . 19848 1 679 . 1 . 1 57 57 LEU CB C 13 47.188 0.044 . 1 . . 128 . . 57 LEU CB . 19848 1 680 . 1 . 1 57 57 LEU CG C 13 28.118 0.012 . 1 . . 552 . . 57 LEU CG . 19848 1 681 . 1 . 1 57 57 LEU CD1 C 13 23.986 0.035 . 2 . . 551 . . 57 LEU CD1 . 19848 1 682 . 1 . 1 57 57 LEU CD2 C 13 25.929 0.033 . 2 . . 548 . . 57 LEU CD2 . 19848 1 683 . 1 . 1 57 57 LEU N N 15 123.492 0.017 . 1 . . 125 . . 57 LEU N . 19848 1 684 . 1 . 1 58 58 ALA H H 1 9.479 0.008 . 1 . . 121 . . 58 ALA H . 19848 1 685 . 1 . 1 58 58 ALA HA H 1 5.449 0.003 . 1 . . 341 . . 58 ALA HA . 19848 1 686 . 1 . 1 58 58 ALA HB1 H 1 1.002 0.003 . 1 . . 429 . . 58 ALA HB1 . 19848 1 687 . 1 . 1 58 58 ALA HB2 H 1 1.002 0.003 . 1 . . 429 . . 58 ALA HB2 . 19848 1 688 . 1 . 1 58 58 ALA HB3 H 1 1.002 0.003 . 1 . . 429 . . 58 ALA HB3 . 19848 1 689 . 1 . 1 58 58 ALA C C 13 175.983 . . 1 . . 1152 . . 58 ALA C . 19848 1 690 . 1 . 1 58 58 ALA CA C 13 50.755 0.03 . 1 . . 122 . . 58 ALA CA . 19848 1 691 . 1 . 1 58 58 ALA CB C 13 21.410 0.059 . 1 . . 124 . . 58 ALA CB . 19848 1 692 . 1 . 1 58 58 ALA N N 15 130.783 0.016 . 1 . . 123 . . 58 ALA N . 19848 1 693 . 1 . 1 59 59 VAL H H 1 9.129 0.005 . 1 . . 118 . . 59 VAL H . 19848 1 694 . 1 . 1 59 59 VAL HA H 1 4.761 0.006 . 1 . . 366 . . 59 VAL HA . 19848 1 695 . 1 . 1 59 59 VAL HB H 1 2.146 0.006 . 1 . . 447 . . 59 VAL HB . 19848 1 696 . 1 . 1 59 59 VAL HG11 H 1 0.872 0.004 . 2 . . 446 . . 59 VAL HG11 . 19848 1 697 . 1 . 1 59 59 VAL HG12 H 1 0.872 0.004 . 2 . . 446 . . 59 VAL HG12 . 19848 1 698 . 1 . 1 59 59 VAL HG13 H 1 0.872 0.004 . 2 . . 446 . . 59 VAL HG13 . 19848 1 699 . 1 . 1 59 59 VAL HG21 H 1 0.969 0.005 . 2 . . 444 . . 59 VAL HG21 . 19848 1 700 . 1 . 1 59 59 VAL HG22 H 1 0.969 0.005 . 2 . . 444 . . 59 VAL HG22 . 19848 1 701 . 1 . 1 59 59 VAL HG23 H 1 0.969 0.005 . 2 . . 444 . . 59 VAL HG23 . 19848 1 702 . 1 . 1 59 59 VAL C C 13 173.902 . . 1 . . 401 . . 59 VAL C . 19848 1 703 . 1 . 1 59 59 VAL CA C 13 61.304 0.036 . 1 . . 119 . . 59 VAL CA . 19848 1 704 . 1 . 1 59 59 VAL CB C 13 35.823 0.048 . 1 . . 320 . . 59 VAL CB . 19848 1 705 . 1 . 1 59 59 VAL CG1 C 13 21.813 0.02 . 2 . . 445 . . 59 VAL CG1 . 19848 1 706 . 1 . 1 59 59 VAL CG2 C 13 23.047 0.042 . 2 . . 443 . . 59 VAL CG2 . 19848 1 707 . 1 . 1 59 59 VAL N N 15 121.429 0.035 . 1 . . 120 . . 59 VAL N . 19848 1 708 . 1 . 1 60 60 GLU H H 1 8.801 0.007 . 1 . . 115 . . 60 GLU H . 19848 1 709 . 1 . 1 60 60 GLU HA H 1 5.724 0.006 . 1 . . 353 . . 60 GLU HA . 19848 1 710 . 1 . 1 60 60 GLU HB2 H 1 1.947 0.008 . 2 . . 666 . . 60 GLU HB2 . 19848 1 711 . 1 . 1 60 60 GLU HB3 H 1 2.127 0.013 . 2 . . 667 . . 60 GLU HB3 . 19848 1 712 . 1 . 1 60 60 GLU HG2 H 1 2.177 0.005 . 1 . . 670 . . 60 GLU HG2 . 19848 1 713 . 1 . 1 60 60 GLU HG3 H 1 2.177 0.005 . 1 . . 669 . . 60 GLU HG3 . 19848 1 714 . 1 . 1 60 60 GLU C C 13 175.511 0.012 . 1 . . 599 . . 60 GLU C . 19848 1 715 . 1 . 1 60 60 GLU CA C 13 54.854 0.055 . 1 . . 116 . . 60 GLU CA . 19848 1 716 . 1 . 1 60 60 GLU CB C 13 34.505 0.083 . 1 . . 319 . . 60 GLU CB . 19848 1 717 . 1 . 1 60 60 GLU CG C 13 37.010 . . 1 . . 668 . . 60 GLU CG . 19848 1 718 . 1 . 1 60 60 GLU N N 15 125.229 0.015 . 1 . . 117 . . 60 GLU N . 19848 1 719 . 1 . 1 61 61 SER H H 1 9.270 0.008 . 1 . . 331 . . 61 SER H . 19848 1 720 . 1 . 1 61 61 SER HA H 1 4.986 0.007 . 1 . . 980 . . 61 SER HA . 19848 1 721 . 1 . 1 61 61 SER HB2 H 1 4.019 0.004 . 2 . . 982 . . 61 SER HB2 . 19848 1 722 . 1 . 1 61 61 SER HB3 H 1 3.852 0.008 . 2 . . 981 . . 61 SER HB3 . 19848 1 723 . 1 . 1 61 61 SER CA C 13 57.707 0.008 . 1 . . 979 . . 61 SER CA . 19848 1 724 . 1 . 1 61 61 SER CB C 13 66.320 0.003 . 1 . . 983 . . 61 SER CB . 19848 1 725 . 1 . 1 61 61 SER N N 15 118.138 0.047 . 1 . . 332 . . 61 SER N . 19848 1 726 . 1 . 1 62 62 LEU H H 1 8.439 0.019 . 1 . . 1033 . . 62 LEU H . 19848 1 727 . 1 . 1 62 62 LEU HA H 1 4.711 0.003 . 1 . . 792 . . 62 LEU HA . 19848 1 728 . 1 . 1 62 62 LEU HB2 H 1 1.068 0.007 . 2 . . 798 . . 62 LEU HB2 . 19848 1 729 . 1 . 1 62 62 LEU HB3 H 1 1.390 0.003 . 2 . . 797 . . 62 LEU HB3 . 19848 1 730 . 1 . 1 62 62 LEU HG H 1 1.171 0.002 . 1 . . 795 . . 62 LEU HG . 19848 1 731 . 1 . 1 62 62 LEU HD11 H 1 0.276 0.005 . 2 . . 793 . . 62 LEU HD11 . 19848 1 732 . 1 . 1 62 62 LEU HD12 H 1 0.276 0.005 . 2 . . 793 . . 62 LEU HD12 . 19848 1 733 . 1 . 1 62 62 LEU HD13 H 1 0.276 0.005 . 2 . . 793 . . 62 LEU HD13 . 19848 1 734 . 1 . 1 62 62 LEU HD21 H 1 0.438 0.002 . 2 . . 800 . . 62 LEU HD21 . 19848 1 735 . 1 . 1 62 62 LEU HD22 H 1 0.438 0.002 . 2 . . 800 . . 62 LEU HD22 . 19848 1 736 . 1 . 1 62 62 LEU HD23 H 1 0.438 0.002 . 2 . . 800 . . 62 LEU HD23 . 19848 1 737 . 1 . 1 62 62 LEU CA C 13 54.481 0.005 . 1 . . 1034 . . 62 LEU CA . 19848 1 738 . 1 . 1 62 62 LEU CB C 13 43.030 0.003 . 1 . . 796 . . 62 LEU CB . 19848 1 739 . 1 . 1 62 62 LEU CG C 13 27.349 0.019 . 1 . . 794 . . 62 LEU CG . 19848 1 740 . 1 . 1 62 62 LEU CD1 C 13 24.081 0.023 . 2 . . 791 . . 62 LEU CD1 . 19848 1 741 . 1 . 1 62 62 LEU CD2 C 13 23.691 0.014 . 2 . . 799 . . 62 LEU CD2 . 19848 1 742 . 1 . 1 62 62 LEU N N 15 126.190 0.044 . 1 . . 1032 . . 62 LEU N . 19848 1 743 . 1 . 1 63 63 ASP H H 1 8.370 0.002 . 1 . . 997 . . 63 ASP H . 19848 1 744 . 1 . 1 63 63 ASP HA H 1 4.687 0.014 . 1 . . 671 . . 63 ASP HA . 19848 1 745 . 1 . 1 63 63 ASP HB2 H 1 2.590 0.002 . 2 . . 673 . . 63 ASP HB2 . 19848 1 746 . 1 . 1 63 63 ASP HB3 H 1 2.728 0.003 . 2 . . 672 . . 63 ASP HB3 . 19848 1 747 . 1 . 1 63 63 ASP C C 13 176.724 . . 1 . . 1153 . . 63 ASP C . 19848 1 748 . 1 . 1 63 63 ASP CA C 13 53.475 0.18 . 1 . . 273 . . 63 ASP CA . 19848 1 749 . 1 . 1 63 63 ASP CB C 13 41.581 . . 1 . . 272 . . 63 ASP CB . 19848 1 750 . 1 . 1 63 63 ASP N N 15 124.072 0.024 . 1 . . 996 . . 63 ASP N . 19848 1 751 . 1 . 1 64 64 GLY H H 1 8.637 0.008 . 1 . . 269 . . 64 GLY H . 19848 1 752 . 1 . 1 64 64 GLY HA2 H 1 3.649 0.007 . 2 . . 675 . . 64 GLY HA2 . 19848 1 753 . 1 . 1 64 64 GLY HA3 H 1 4.017 0.005 . 2 . . 674 . . 64 GLY HA3 . 19848 1 754 . 1 . 1 64 64 GLY C C 13 174.549 . . 1 . . 680 . . 64 GLY C . 19848 1 755 . 1 . 1 64 64 GLY CA C 13 46.596 0.032 . 1 . . 270 . . 64 GLY CA . 19848 1 756 . 1 . 1 64 64 GLY N N 15 112.770 0.029 . 1 . . 271 . . 64 GLY N . 19848 1 757 . 1 . 1 65 65 ARG H H 1 8.668 0.003 . 1 . . 265 . . 65 ARG H . 19848 1 758 . 1 . 1 65 65 ARG HA H 1 4.189 0.004 . 1 . . 682 . . 65 ARG HA . 19848 1 759 . 1 . 1 65 65 ARG HB2 H 1 1.940 0.001 . 2 . . 683 . . 65 ARG HB2 . 19848 1 760 . 1 . 1 65 65 ARG HB3 H 1 1.765 0.001 . 2 . . 684 . . 65 ARG HB3 . 19848 1 761 . 1 . 1 65 65 ARG HG3 H 1 1.579 0.001 . 1 . . 686 . . 65 ARG HG3 . 19848 1 762 . 1 . 1 65 65 ARG HD2 H 1 3.134 0.004 . 1 . . 685 . . 65 ARG HD2 . 19848 1 763 . 1 . 1 65 65 ARG C C 13 176.099 . . 1 . . 681 . . 65 ARG C . 19848 1 764 . 1 . 1 65 65 ARG CA C 13 56.605 0.024 . 1 . . 266 . . 65 ARG CA . 19848 1 765 . 1 . 1 65 65 ARG CB C 13 30.032 . . 1 . . 268 . . 65 ARG CB . 19848 1 766 . 1 . 1 65 65 ARG CG C 13 27.332 0.015 . 1 . . 687 . . 65 ARG CG . 19848 1 767 . 1 . 1 65 65 ARG CD C 13 43.202 0.001 . 1 . . 688 . . 65 ARG CD . 19848 1 768 . 1 . 1 65 65 ARG N N 15 122.178 0.043 . 1 . . 267 . . 65 ARG N . 19848 1 769 . 1 . 1 66 66 THR H H 1 7.869 0.005 . 1 . . 261 . . 66 THR H . 19848 1 770 . 1 . 1 66 66 THR HA H 1 4.284 0.005 . 1 . . 386 . . 66 THR HA . 19848 1 771 . 1 . 1 66 66 THR HB H 1 4.099 0.003 . 1 . . 676 . . 66 THR HB . 19848 1 772 . 1 . 1 66 66 THR HG21 H 1 1.068 0.003 . 1 . . 677 . . 66 THR HG21 . 19848 1 773 . 1 . 1 66 66 THR HG22 H 1 1.068 0.003 . 1 . . 677 . . 66 THR HG22 . 19848 1 774 . 1 . 1 66 66 THR HG23 H 1 1.068 0.003 . 1 . . 677 . . 66 THR HG23 . 19848 1 775 . 1 . 1 66 66 THR CA C 13 61.649 0.006 . 1 . . 262 . . 66 THR CA . 19848 1 776 . 1 . 1 66 66 THR CB C 13 70.320 0.027 . 1 . . 264 . . 66 THR CB . 19848 1 777 . 1 . 1 66 66 THR CG2 C 13 21.269 0.011 . 1 . . 678 . . 66 THR CG2 . 19848 1 778 . 1 . 1 66 66 THR N N 15 115.677 0.014 . 1 . . 263 . . 66 THR N . 19848 1 779 . 1 . 1 67 67 ARG H H 1 8.497 0.005 . 1 . . 1047 . . 67 ARG H . 19848 1 780 . 1 . 1 67 67 ARG HA H 1 4.672 0.005 . 1 . . 1042 . . 67 ARG HA . 19848 1 781 . 1 . 1 67 67 ARG HB2 H 1 1.664 0.005 . 2 . . 1002 . . 67 ARG HB2 . 19848 1 782 . 1 . 1 67 67 ARG HB3 H 1 1.564 0.003 . 2 . . 1043 . . 67 ARG HB3 . 19848 1 783 . 1 . 1 67 67 ARG HG2 H 1 1.276 0.002 . 2 . . 1045 . . 67 ARG HG2 . 19848 1 784 . 1 . 1 67 67 ARG HG3 H 1 1.439 0.002 . 2 . . 1035 . . 67 ARG HG3 . 19848 1 785 . 1 . 1 67 67 ARG HD2 H 1 3.019 0.006 . 2 . . 1049 . . 67 ARG HD2 . 19848 1 786 . 1 . 1 67 67 ARG HD3 H 1 3.007 0.009 . 2 . . 1050 . . 67 ARG HD3 . 19848 1 787 . 1 . 1 67 67 ARG CA C 13 55.864 0.03 . 1 . . 1039 . . 67 ARG CA . 19848 1 788 . 1 . 1 67 67 ARG CB C 13 31.417 0.006 . 1 . . 1001 . . 67 ARG CB . 19848 1 789 . 1 . 1 67 67 ARG CG C 13 27.642 0.005 . 1 . . 1044 . . 67 ARG CG . 19848 1 790 . 1 . 1 67 67 ARG CD C 13 43.297 0.005 . 1 . . 1048 . . 67 ARG CD . 19848 1 791 . 1 . 1 67 67 ARG N N 15 126.915 0.019 . 1 . . 1046 . . 67 ARG N . 19848 1 792 . 1 . 1 68 68 ARG H H 1 8.602 0.003 . 1 . . 999 . . 68 ARG H . 19848 1 793 . 1 . 1 68 68 ARG HA H 1 4.260 0.004 . 1 . . 1038 . . 68 ARG HA . 19848 1 794 . 1 . 1 68 68 ARG HB2 H 1 0.950 0.006 . 2 . . 1006 . . 68 ARG HB2 . 19848 1 795 . 1 . 1 68 68 ARG HB3 H 1 1.276 0.004 . 2 . . 1040 . . 68 ARG HB3 . 19848 1 796 . 1 . 1 68 68 ARG HG2 H 1 0.954 0.001 . 2 . . 1041 . . 68 ARG HG2 . 19848 1 797 . 1 . 1 68 68 ARG HG3 H 1 1.128 0.01 . 2 . . 1009 . . 68 ARG HG3 . 19848 1 798 . 1 . 1 68 68 ARG HD2 H 1 2.818 0.003 . 2 . . 1004 . . 68 ARG HD2 . 19848 1 799 . 1 . 1 68 68 ARG HD3 H 1 2.814 0.004 . 2 . . 1010 . . 68 ARG HD3 . 19848 1 800 . 1 . 1 68 68 ARG C C 13 173.508 . . 1 . . 1146 . . 68 ARG C . 19848 1 801 . 1 . 1 68 68 ARG CA C 13 54.685 0.015 . 1 . . 1003 . . 68 ARG CA . 19848 1 802 . 1 . 1 68 68 ARG CB C 13 33.236 0.003 . 1 . . 1007 . . 68 ARG CB . 19848 1 803 . 1 . 1 68 68 ARG CG C 13 26.985 0.011 . 1 . . 1008 . . 68 ARG CG . 19848 1 804 . 1 . 1 68 68 ARG CD C 13 43.168 0.001 . 1 . . 1005 . . 68 ARG CD . 19848 1 805 . 1 . 1 68 68 ARG N N 15 126.006 0.027 . 1 . . 998 . . 68 ARG N . 19848 1 806 . 1 . 1 69 69 GLU H H 1 7.847 0.003 . 1 . . 1037 . . 69 GLU H . 19848 1 807 . 1 . 1 69 69 GLU HA H 1 5.245 0.007 . 1 . . 598 . . 69 GLU HA . 19848 1 808 . 1 . 1 69 69 GLU HB2 H 1 1.697 0.007 . 2 . . 830 . . 69 GLU HB2 . 19848 1 809 . 1 . 1 69 69 GLU HB3 H 1 1.731 0.003 . 2 . . 831 . . 69 GLU HB3 . 19848 1 810 . 1 . 1 69 69 GLU HG2 H 1 1.959 0.004 . 2 . . 833 . . 69 GLU HG2 . 19848 1 811 . 1 . 1 69 69 GLU HG3 H 1 1.876 0.006 . 2 . . 832 . . 69 GLU HG3 . 19848 1 812 . 1 . 1 69 69 GLU C C 13 174.857 . . 1 . . 1154 . . 69 GLU C . 19848 1 813 . 1 . 1 69 69 GLU CA C 13 54.168 0.037 . 1 . . 597 . . 69 GLU CA . 19848 1 814 . 1 . 1 69 69 GLU CB C 13 33.486 0.005 . 1 . . 829 . . 69 GLU CB . 19848 1 815 . 1 . 1 69 69 GLU CG C 13 36.567 0.015 . 1 . . 834 . . 69 GLU CG . 19848 1 816 . 1 . 1 69 69 GLU N N 15 120.790 0.02 . 1 . . 1036 . . 69 GLU N . 19848 1 817 . 1 . 1 70 70 TRP H H 1 9.107 0.004 . 1 . . 836 . . 70 TRP H . 19848 1 818 . 1 . 1 70 70 TRP HA H 1 4.446 0.007 . 1 . . 691 . . 70 TRP HA . 19848 1 819 . 1 . 1 70 70 TRP HB2 H 1 2.224 0.009 . 2 . . 693 . . 70 TRP HB2 . 19848 1 820 . 1 . 1 70 70 TRP HB3 H 1 2.514 0.006 . 2 . . 690 . . 70 TRP HB3 . 19848 1 821 . 1 . 1 70 70 TRP HD1 H 1 6.392 0.009 . 1 . . 884 . . 70 TRP HD1 . 19848 1 822 . 1 . 1 70 70 TRP HE1 H 1 9.583 0.003 . 1 . . 1079 . . 70 TRP HE1 . 19848 1 823 . 1 . 1 70 70 TRP HE3 H 1 7.298 0.005 . 1 . . 890 . . 70 TRP HE3 . 19848 1 824 . 1 . 1 70 70 TRP HZ2 H 1 7.342 0.002 . 1 . . 885 . . 70 TRP HZ2 . 19848 1 825 . 1 . 1 70 70 TRP HZ3 H 1 6.623 0.005 . 1 . . 891 . . 70 TRP HZ3 . 19848 1 826 . 1 . 1 70 70 TRP HH2 H 1 6.914 0.003 . 1 . . 892 . . 70 TRP HH2 . 19848 1 827 . 1 . 1 70 70 TRP C C 13 174.933 0.047 . 1 . . 689 . . 70 TRP C . 19848 1 828 . 1 . 1 70 70 TRP CA C 13 57.575 0.039 . 1 . . 692 . . 70 TRP CA . 19848 1 829 . 1 . 1 70 70 TRP CB C 13 34.305 0.044 . 1 . . 260 . . 70 TRP CB . 19848 1 830 . 1 . 1 70 70 TRP CD1 C 13 126.297 0.01 . 1 . . 917 . . 70 TRP CD1 . 19848 1 831 . 1 . 1 70 70 TRP CE3 C 13 121.061 0.044 . 1 . . 920 . . 70 TRP CE3 . 19848 1 832 . 1 . 1 70 70 TRP CZ2 C 13 114.136 0.029 . 1 . . 923 . . 70 TRP CZ2 . 19848 1 833 . 1 . 1 70 70 TRP CZ3 C 13 121.074 0.031 . 1 . . 922 . . 70 TRP CZ3 . 19848 1 834 . 1 . 1 70 70 TRP CH2 C 13 123.678 0.006 . 1 . . 921 . . 70 TRP CH2 . 19848 1 835 . 1 . 1 70 70 TRP N N 15 124.044 0.024 . 1 . . 835 . . 70 TRP N . 19848 1 836 . 1 . 1 70 70 TRP NE1 N 15 128.129 0.019 . 1 . . 1080 . . 70 TRP NE1 . 19848 1 837 . 1 . 1 71 71 ARG H H 1 8.099 0.006 . 1 . . 256 . . 71 ARG H . 19848 1 838 . 1 . 1 71 71 ARG HA H 1 5.154 0.004 . 1 . . 362 . . 71 ARG HA . 19848 1 839 . 1 . 1 71 71 ARG HB2 H 1 1.580 0.002 . 2 . . 810 . . 71 ARG HB2 . 19848 1 840 . 1 . 1 71 71 ARG HB3 H 1 1.513 0.002 . 2 . . 811 . . 71 ARG HB3 . 19848 1 841 . 1 . 1 71 71 ARG HG2 H 1 1.246 0.007 . 2 . . 814 . . 71 ARG HG2 . 19848 1 842 . 1 . 1 71 71 ARG HG3 H 1 1.385 0.004 . 2 . . 813 . . 71 ARG HG3 . 19848 1 843 . 1 . 1 71 71 ARG HD2 H 1 2.689 0.001 . 2 . . 816 . . 71 ARG HD2 . 19848 1 844 . 1 . 1 71 71 ARG HD3 H 1 2.558 . . 2 . . 817 . . 71 ARG HD3 . 19848 1 845 . 1 . 1 71 71 ARG C C 13 174.665 . . 1 . . 1155 . . 71 ARG C . 19848 1 846 . 1 . 1 71 71 ARG CA C 13 55.082 0.018 . 1 . . 257 . . 71 ARG CA . 19848 1 847 . 1 . 1 71 71 ARG CB C 13 33.346 0.035 . 1 . . 259 . . 71 ARG CB . 19848 1 848 . 1 . 1 71 71 ARG CG C 13 28.359 0.021 . 1 . . 812 . . 71 ARG CG . 19848 1 849 . 1 . 1 71 71 ARG CD C 13 43.164 0.006 . 1 . . 815 . . 71 ARG CD . 19848 1 850 . 1 . 1 71 71 ARG N N 15 121.223 0.05 . 1 . . 258 . . 71 ARG N . 19848 1 851 . 1 . 1 72 72 PHE H H 1 9.136 0.007 . 1 . . 252 . . 72 PHE H . 19848 1 852 . 1 . 1 72 72 PHE HA H 1 5.085 0.005 . 1 . . 367 . . 72 PHE HA . 19848 1 853 . 1 . 1 72 72 PHE HB2 H 1 2.597 0.005 . 2 . . 705 . . 72 PHE HB2 . 19848 1 854 . 1 . 1 72 72 PHE HB3 H 1 2.914 0.004 . 2 . . 704 . . 72 PHE HB3 . 19848 1 855 . 1 . 1 72 72 PHE HD1 H 1 6.857 0.004 . 1 . . 862 . . 72 PHE HD1 . 19848 1 856 . 1 . 1 72 72 PHE HD2 H 1 6.857 0.004 . 1 . . 863 . . 72 PHE HD2 . 19848 1 857 . 1 . 1 72 72 PHE HE1 H 1 6.620 0.005 . 1 . . 864 . . 72 PHE HE1 . 19848 1 858 . 1 . 1 72 72 PHE HE2 H 1 6.620 0.005 . 1 . . 865 . . 72 PHE HE2 . 19848 1 859 . 1 . 1 72 72 PHE HZ H 1 6.157 0.004 . 1 . . 866 . . 72 PHE HZ . 19848 1 860 . 1 . 1 72 72 PHE C C 13 175.880 . . 1 . . 1156 . . 72 PHE C . 19848 1 861 . 1 . 1 72 72 PHE CA C 13 55.778 0.022 . 1 . . 253 . . 72 PHE CA . 19848 1 862 . 1 . 1 72 72 PHE CB C 13 42.828 0.031 . 1 . . 255 . . 72 PHE CB . 19848 1 863 . 1 . 1 72 72 PHE CD1 C 13 131.897 0.005 . 1 . . 1083 . . 72 PHE CD1 . 19848 1 864 . 1 . 1 72 72 PHE CD2 C 13 131.897 0.005 . 1 . . 1084 . . 72 PHE CD2 . 19848 1 865 . 1 . 1 72 72 PHE CE1 C 13 130.536 0.012 . 1 . . 896 . . 72 PHE CE1 . 19848 1 866 . 1 . 1 72 72 PHE CE2 C 13 130.536 0.012 . 1 . . 897 . . 72 PHE CE2 . 19848 1 867 . 1 . 1 72 72 PHE CZ C 13 128.489 . . 1 . . 893 . . 72 PHE CZ . 19848 1 868 . 1 . 1 72 72 PHE N N 15 120.568 0.019 . 1 . . 254 . . 72 PHE N . 19848 1 869 . 1 . 1 73 73 SER H H 1 9.661 0.005 . 1 . . 248 . . 73 SER H . 19848 1 870 . 1 . 1 73 73 SER HA H 1 4.846 0.004 . 1 . . 977 . . 73 SER HA . 19848 1 871 . 1 . 1 73 73 SER HB3 H 1 4.130 0.004 . 1 . . 978 . . 73 SER HB3 . 19848 1 872 . 1 . 1 73 73 SER CA C 13 57.179 0.036 . 1 . . 249 . . 73 SER CA . 19848 1 873 . 1 . 1 73 73 SER CB C 13 66.281 0.048 . 1 . . 251 . . 73 SER CB . 19848 1 874 . 1 . 1 73 73 SER N N 15 122.100 0.02 . 1 . . 250 . . 73 SER N . 19848 1 875 . 1 . 1 74 74 TYR H H 1 8.225 0.004 . 1 . . 1053 . . 74 TYR H . 19848 1 876 . 1 . 1 74 74 TYR HA H 1 3.778 0.004 . 1 . . 771 . . 74 TYR HA . 19848 1 877 . 1 . 1 74 74 TYR HB2 H 1 2.744 0.002 . 2 . . 772 . . 74 TYR HB2 . 19848 1 878 . 1 . 1 74 74 TYR HB3 H 1 3.452 0.003 . 2 . . 773 . . 74 TYR HB3 . 19848 1 879 . 1 . 1 74 74 TYR HD1 H 1 6.904 0.002 . 1 . . 876 . . 74 TYR HD1 . 19848 1 880 . 1 . 1 74 74 TYR HD2 H 1 6.904 0.002 . 1 . . 877 . . 74 TYR HD2 . 19848 1 881 . 1 . 1 74 74 TYR HE1 H 1 6.723 0.003 . 1 . . 878 . . 74 TYR HE1 . 19848 1 882 . 1 . 1 74 74 TYR HE2 H 1 6.723 0.003 . 1 . . 879 . . 74 TYR HE2 . 19848 1 883 . 1 . 1 74 74 TYR C C 13 176.920 . . 1 . . 770 . . 74 TYR C . 19848 1 884 . 1 . 1 74 74 TYR CA C 13 62.967 0.013 . 1 . . 768 . . 74 TYR CA . 19848 1 885 . 1 . 1 74 74 TYR CB C 13 38.559 0.028 . 1 . . 769 . . 74 TYR CB . 19848 1 886 . 1 . 1 74 74 TYR CD1 C 13 132.298 0.007 . 1 . . 909 . . 74 TYR CD1 . 19848 1 887 . 1 . 1 74 74 TYR CD2 C 13 132.298 0.007 . 1 . . 910 . . 74 TYR CD2 . 19848 1 888 . 1 . 1 74 74 TYR CE1 C 13 118.555 0.005 . 1 . . 915 . . 74 TYR CE1 . 19848 1 889 . 1 . 1 74 74 TYR CE2 C 13 118.555 0.005 . 1 . . 916 . . 74 TYR CE2 . 19848 1 890 . 1 . 1 74 74 TYR N N 15 120.166 0.019 . 1 . . 1052 . . 74 TYR N . 19848 1 891 . 1 . 1 75 75 ASN H H 1 7.882 0.005 . 1 . . 111 . . 75 ASN H . 19848 1 892 . 1 . 1 75 75 ASN HA H 1 4.302 0.003 . 1 . . 765 . . 75 ASN HA . 19848 1 893 . 1 . 1 75 75 ASN HB2 H 1 2.648 0.004 . 2 . . 767 . . 75 ASN HB2 . 19848 1 894 . 1 . 1 75 75 ASN HB3 H 1 2.838 0.004 . 2 . . 766 . . 75 ASN HB3 . 19848 1 895 . 1 . 1 75 75 ASN HD21 H 1 6.731 0.004 . 1 . . 1073 . . 75 ASN HD21 . 19848 1 896 . 1 . 1 75 75 ASN HD22 H 1 7.782 0.001 . 1 . . 1072 . . 75 ASN HD22 . 19848 1 897 . 1 . 1 75 75 ASN C C 13 176.603 . . 1 . . 1158 . . 75 ASN C . 19848 1 898 . 1 . 1 75 75 ASN CA C 13 55.918 0.019 . 1 . . 112 . . 75 ASN CA . 19848 1 899 . 1 . 1 75 75 ASN CB C 13 37.252 0.003 . 1 . . 114 . . 75 ASN CB . 19848 1 900 . 1 . 1 75 75 ASN N N 15 116.015 0.048 . 1 . . 113 . . 75 ASN N . 19848 1 901 . 1 . 1 75 75 ASN ND2 N 15 111.622 0.022 . 1 . . 1071 . . 75 ASN ND2 . 19848 1 902 . 1 . 1 76 76 ALA H H 1 8.341 0.004 . 1 . . 107 . . 76 ALA H . 19848 1 903 . 1 . 1 76 76 ALA HA H 1 4.101 0.005 . 1 . . 357 . . 76 ALA HA . 19848 1 904 . 1 . 1 76 76 ALA HB1 H 1 1.592 0.003 . 1 . . 404 . . 76 ALA HB1 . 19848 1 905 . 1 . 1 76 76 ALA HB2 H 1 1.592 0.003 . 1 . . 404 . . 76 ALA HB2 . 19848 1 906 . 1 . 1 76 76 ALA HB3 H 1 1.592 0.003 . 1 . . 404 . . 76 ALA HB3 . 19848 1 907 . 1 . 1 76 76 ALA C C 13 180.978 0.023 . 1 . . 403 . . 76 ALA C . 19848 1 908 . 1 . 1 76 76 ALA CA C 13 55.288 0.041 . 1 . . 108 . . 76 ALA CA . 19848 1 909 . 1 . 1 76 76 ALA CB C 13 18.353 0.023 . 1 . . 110 . . 76 ALA CB . 19848 1 910 . 1 . 1 76 76 ALA N N 15 122.427 0.025 . 1 . . 109 . . 76 ALA N . 19848 1 911 . 1 . 1 77 77 VAL H H 1 7.743 0.005 . 1 . . 104 . . 77 VAL H . 19848 1 912 . 1 . 1 77 77 VAL HA H 1 3.315 0.002 . 1 . . 388 . . 77 VAL HA . 19848 1 913 . 1 . 1 77 77 VAL HB H 1 1.885 0.004 . 1 . . 438 . . 77 VAL HB . 19848 1 914 . 1 . 1 77 77 VAL HG11 H 1 0.600 0.003 . 2 . . 439 . . 77 VAL HG11 . 19848 1 915 . 1 . 1 77 77 VAL HG12 H 1 0.600 0.003 . 2 . . 439 . . 77 VAL HG12 . 19848 1 916 . 1 . 1 77 77 VAL HG13 H 1 0.600 0.003 . 2 . . 439 . . 77 VAL HG13 . 19848 1 917 . 1 . 1 77 77 VAL HG21 H 1 0.417 0.001 . 2 . . 440 . . 77 VAL HG21 . 19848 1 918 . 1 . 1 77 77 VAL HG22 H 1 0.417 0.001 . 2 . . 440 . . 77 VAL HG22 . 19848 1 919 . 1 . 1 77 77 VAL HG23 H 1 0.417 0.001 . 2 . . 440 . . 77 VAL HG23 . 19848 1 920 . 1 . 1 77 77 VAL C C 13 178.112 0.028 . 1 . . 402 . . 77 VAL C . 19848 1 921 . 1 . 1 77 77 VAL CA C 13 66.204 0.057 . 1 . . 105 . . 77 VAL CA . 19848 1 922 . 1 . 1 77 77 VAL CB C 13 31.510 0.037 . 1 . . 328 . . 77 VAL CB . 19848 1 923 . 1 . 1 77 77 VAL CG1 C 13 23.952 0.042 . 2 . . 442 . . 77 VAL CG1 . 19848 1 924 . 1 . 1 77 77 VAL CG2 C 13 20.841 0.026 . 2 . . 441 . . 77 VAL CG2 . 19848 1 925 . 1 . 1 77 77 VAL N N 15 117.507 0.017 . 1 . . 106 . . 77 VAL N . 19848 1 926 . 1 . 1 78 78 MET H H 1 8.136 0.004 . 1 . . 103 . . 78 MET H . 19848 1 927 . 1 . 1 78 78 MET HA H 1 4.303 0.003 . 1 . . 763 . . 78 MET HA . 19848 1 928 . 1 . 1 78 78 MET HB2 H 1 2.078 0.009 . 2 . . 966 . . 78 MET HB2 . 19848 1 929 . 1 . 1 78 78 MET HB3 H 1 1.944 0.009 . 2 . . 967 . . 78 MET HB3 . 19848 1 930 . 1 . 1 78 78 MET HG2 H 1 1.871 0.006 . 2 . . 969 . . 78 MET HG2 . 19848 1 931 . 1 . 1 78 78 MET HG3 H 1 2.380 0.004 . 2 . . 965 . . 78 MET HG3 . 19848 1 932 . 1 . 1 78 78 MET HE1 H 1 1.832 0.008 . 1 . . 1014 . . 78 MET HE1 . 19848 1 933 . 1 . 1 78 78 MET HE2 H 1 1.832 0.008 . 1 . . 1014 . . 78 MET HE2 . 19848 1 934 . 1 . 1 78 78 MET HE3 H 1 1.832 0.008 . 1 . . 1014 . . 78 MET HE3 . 19848 1 935 . 1 . 1 78 78 MET C C 13 178.890 . . 1 . . 964 . . 78 MET C . 19848 1 936 . 1 . 1 78 78 MET CA C 13 56.321 0.056 . 1 . . 102 . . 78 MET CA . 19848 1 937 . 1 . 1 78 78 MET CB C 13 30.297 0.007 . 1 . . 327 . . 78 MET CB . 19848 1 938 . 1 . 1 78 78 MET CG C 13 32.436 0.01 . 1 . . 968 . . 78 MET CG . 19848 1 939 . 1 . 1 78 78 MET CE C 13 16.610 0.044 . 1 . . 1013 . . 78 MET CE . 19848 1 940 . 1 . 1 78 78 MET N N 15 118.321 0.029 . 1 . . 101 . . 78 MET N . 19848 1 941 . 1 . 1 79 79 GLU H H 1 7.792 0.004 . 1 . . 98 . . 79 GLU H . 19848 1 942 . 1 . 1 79 79 GLU HA H 1 4.382 0.006 . 1 . . 371 . . 79 GLU HA . 19848 1 943 . 1 . 1 79 79 GLU HB2 H 1 2.242 0.007 . 2 . . 758 . . 79 GLU HB2 . 19848 1 944 . 1 . 1 79 79 GLU HB3 H 1 1.913 0.002 . 2 . . 759 . . 79 GLU HB3 . 19848 1 945 . 1 . 1 79 79 GLU HG2 H 1 2.313 0.009 . 2 . . 762 . . 79 GLU HG2 . 19848 1 946 . 1 . 1 79 79 GLU HG3 H 1 2.460 0.004 . 2 . . 761 . . 79 GLU HG3 . 19848 1 947 . 1 . 1 79 79 GLU C C 13 175.807 . . 1 . . 1159 . . 79 GLU C . 19848 1 948 . 1 . 1 79 79 GLU CA C 13 55.492 0.037 . 1 . . 99 . . 79 GLU CA . 19848 1 949 . 1 . 1 79 79 GLU CB C 13 29.814 0.046 . 1 . . 326 . . 79 GLU CB . 19848 1 950 . 1 . 1 79 79 GLU CG C 13 36.263 0.011 . 1 . . 760 . . 79 GLU CG . 19848 1 951 . 1 . 1 79 79 GLU N N 15 117.037 0.022 . 1 . . 100 . . 79 GLU N . 19848 1 952 . 1 . 1 80 80 ALA H H 1 7.088 0.005 . 1 . . 92 . . 80 ALA H . 19848 1 953 . 1 . 1 80 80 ALA HA H 1 4.513 0.007 . 1 . . 347 . . 80 ALA HA . 19848 1 954 . 1 . 1 80 80 ALA HB1 H 1 1.409 0.004 . 1 . . 430 . . 80 ALA HB1 . 19848 1 955 . 1 . 1 80 80 ALA HB2 H 1 1.409 0.004 . 1 . . 430 . . 80 ALA HB2 . 19848 1 956 . 1 . 1 80 80 ALA HB3 H 1 1.409 0.004 . 1 . . 430 . . 80 ALA HB3 . 19848 1 957 . 1 . 1 80 80 ALA C C 13 176.774 . . 1 . . 1160 . . 80 ALA C . 19848 1 958 . 1 . 1 80 80 ALA CA C 13 53.305 0.025 . 1 . . 95 . . 80 ALA CA . 19848 1 959 . 1 . 1 80 80 ALA CB C 13 21.634 0.03 . 1 . . 93 . . 80 ALA CB . 19848 1 960 . 1 . 1 80 80 ALA N N 15 124.620 0.02 . 1 . . 94 . . 80 ALA N . 19848 1 961 . 1 . 1 81 81 GLU H H 1 8.679 0.002 . 1 . . 97 . . 81 GLU H . 19848 1 962 . 1 . 1 81 81 GLU HA H 1 5.078 0.006 . 1 . . 364 . . 81 GLU HA . 19848 1 963 . 1 . 1 81 81 GLU HB2 H 1 2.022 0.002 . 2 . . 754 . . 81 GLU HB2 . 19848 1 964 . 1 . 1 81 81 GLU HB3 H 1 2.021 0.004 . 2 . . 756 . . 81 GLU HB3 . 19848 1 965 . 1 . 1 81 81 GLU HG2 H 1 2.156 0.001 . 2 . . 757 . . 81 GLU HG2 . 19848 1 966 . 1 . 1 81 81 GLU HG3 H 1 2.430 0.006 . 2 . . 752 . . 81 GLU HG3 . 19848 1 967 . 1 . 1 81 81 GLU CA C 13 52.939 0.035 . 1 . . 755 . . 81 GLU CA . 19848 1 968 . 1 . 1 81 81 GLU CB C 13 32.681 0.042 . 1 . . 753 . . 81 GLU CB . 19848 1 969 . 1 . 1 81 81 GLU CG C 13 36.007 0.015 . 1 . . 751 . . 81 GLU CG . 19848 1 970 . 1 . 1 81 81 GLU N N 15 121.248 0.024 . 1 . . 96 . . 81 GLU N . 19848 1 971 . 1 . 1 82 82 PRO HA H 1 3.618 0.007 . 1 . . 742 . . 82 PRO HA . 19848 1 972 . 1 . 1 82 82 PRO HB2 H 1 0.652 0.003 . 2 . . 744 . . 82 PRO HB2 . 19848 1 973 . 1 . 1 82 82 PRO HB3 H 1 1.401 0.007 . 2 . . 743 . . 82 PRO HB3 . 19848 1 974 . 1 . 1 82 82 PRO HG2 H 1 1.905 0.005 . 2 . . 746 . . 82 PRO HG2 . 19848 1 975 . 1 . 1 82 82 PRO HG3 H 1 1.715 0.006 . 2 . . 747 . . 82 PRO HG3 . 19848 1 976 . 1 . 1 82 82 PRO HD2 H 1 3.867 0.002 . 2 . . 750 . . 82 PRO HD2 . 19848 1 977 . 1 . 1 82 82 PRO HD3 H 1 4.089 0.004 . 2 . . 749 . . 82 PRO HD3 . 19848 1 978 . 1 . 1 82 82 PRO C C 13 177.142 . . 1 . . 741 . . 82 PRO C . 19848 1 979 . 1 . 1 82 82 PRO CA C 13 62.890 0.038 . 1 . . 247 . . 82 PRO CA . 19848 1 980 . 1 . 1 82 82 PRO CB C 13 30.609 0.023 . 1 . . 246 . . 82 PRO CB . 19848 1 981 . 1 . 1 82 82 PRO CG C 13 26.359 0.007 . 1 . . 745 . . 82 PRO CG . 19848 1 982 . 1 . 1 82 82 PRO CD C 13 51.236 0.019 . 1 . . 748 . . 82 PRO CD . 19848 1 983 . 1 . 1 83 83 GLN H H 1 7.933 0.005 . 1 . . 242 . . 83 GLN H . 19848 1 984 . 1 . 1 83 83 GLN HA H 1 4.292 0.005 . 1 . . 390 . . 83 GLN HA . 19848 1 985 . 1 . 1 83 83 GLN HB2 H 1 1.865 0.005 . 2 . . 740 . . 83 GLN HB2 . 19848 1 986 . 1 . 1 83 83 GLN HB3 H 1 2.137 0.004 . 2 . . 739 . . 83 GLN HB3 . 19848 1 987 . 1 . 1 83 83 GLN HG2 H 1 1.870 0.005 . 2 . . 738 . . 83 GLN HG2 . 19848 1 988 . 1 . 1 83 83 GLN HG3 H 1 2.133 0.006 . 2 . . 737 . . 83 GLN HG3 . 19848 1 989 . 1 . 1 83 83 GLN HE21 H 1 7.500 0.004 . 1 . . 1070 . . 83 GLN HE21 . 19848 1 990 . 1 . 1 83 83 GLN HE22 H 1 6.883 0.002 . 1 . . 1069 . . 83 GLN HE22 . 19848 1 991 . 1 . 1 83 83 GLN C C 13 177.368 . . 1 . . 1161 . . 83 GLN C . 19848 1 992 . 1 . 1 83 83 GLN CA C 13 53.998 0.062 . 1 . . 243 . . 83 GLN CA . 19848 1 993 . 1 . 1 83 83 GLN CB C 13 30.170 0.035 . 1 . . 245 . . 83 GLN CB . 19848 1 994 . 1 . 1 83 83 GLN CG C 13 34.842 0.025 . 1 . . 736 . . 83 GLN CG . 19848 1 995 . 1 . 1 83 83 GLN N N 15 120.019 0.009 . 1 . . 244 . . 83 GLN N . 19848 1 996 . 1 . 1 83 83 GLN NE2 N 15 116.900 0.028 . 1 . . 1068 . . 83 GLN NE2 . 19848 1 997 . 1 . 1 84 84 ALA H H 1 8.578 0.002 . 1 . . 228 . . 84 ALA H . 19848 1 998 . 1 . 1 84 84 ALA HA H 1 3.945 0.009 . 1 . . 397 . . 84 ALA HA . 19848 1 999 . 1 . 1 84 84 ALA HB1 H 1 1.318 0.003 . 1 . . 407 . . 84 ALA HB1 . 19848 1 1000 . 1 . 1 84 84 ALA HB2 H 1 1.318 0.003 . 1 . . 407 . . 84 ALA HB2 . 19848 1 1001 . 1 . 1 84 84 ALA HB3 H 1 1.318 0.003 . 1 . . 407 . . 84 ALA HB3 . 19848 1 1002 . 1 . 1 84 84 ALA C C 13 177.397 . . 1 . . 1162 . . 84 ALA C . 19848 1 1003 . 1 . 1 84 84 ALA CA C 13 54.258 0.01 . 1 . . 229 . . 84 ALA CA . 19848 1 1004 . 1 . 1 84 84 ALA CB C 13 18.246 0.014 . 1 . . 231 . . 84 ALA CB . 19848 1 1005 . 1 . 1 84 84 ALA N N 15 123.577 0.018 . 1 . . 230 . . 84 ALA N . 19848 1 1006 . 1 . 1 85 85 ASP H H 1 7.537 0.004 . 1 . . 232 . . 85 ASP H . 19848 1 1007 . 1 . 1 85 85 ASP HA H 1 4.233 0.006 . 1 . . 377 . . 85 ASP HA . 19848 1 1008 . 1 . 1 85 85 ASP HB2 H 1 2.602 0.004 . 2 . . 735 . . 85 ASP HB2 . 19848 1 1009 . 1 . 1 85 85 ASP HB3 H 1 2.895 0.003 . 2 . . 734 . . 85 ASP HB3 . 19848 1 1010 . 1 . 1 85 85 ASP C C 13 177.170 . . 1 . . 1163 . . 85 ASP C . 19848 1 1011 . 1 . 1 85 85 ASP CA C 13 54.399 0.02 . 1 . . 235 . . 85 ASP CA . 19848 1 1012 . 1 . 1 85 85 ASP CB C 13 39.778 0.036 . 1 . . 233 . . 85 ASP CB . 19848 1 1013 . 1 . 1 85 85 ASP N N 15 115.428 0.013 . 1 . . 234 . . 85 ASP N . 19848 1 1014 . 1 . 1 86 86 GLY H H 1 7.736 0.004 . 1 . . 236 . . 86 GLY H . 19848 1 1015 . 1 . 1 86 86 GLY HA2 H 1 4.051 0.006 . 2 . . 385 . . 86 GLY HA2 . 19848 1 1016 . 1 . 1 86 86 GLY HA3 H 1 3.615 0.002 . 2 . . 384 . . 86 GLY HA3 . 19848 1 1017 . 1 . 1 86 86 GLY C C 13 173.572 . . 1 . . 726 . . 86 GLY C . 19848 1 1018 . 1 . 1 86 86 GLY CA C 13 46.098 0.027 . 1 . . 237 . . 86 GLY CA . 19848 1 1019 . 1 . 1 86 86 GLY N N 15 108.060 0.017 . 1 . . 238 . . 86 GLY N . 19848 1 1020 . 1 . 1 87 87 GLU H H 1 8.146 0.004 . 1 . . 239 . . 87 GLU H . 19848 1 1021 . 1 . 1 87 87 GLU HA H 1 4.566 0.006 . 1 . . 728 . . 87 GLU HA . 19848 1 1022 . 1 . 1 87 87 GLU HB2 H 1 2.007 0.01 . 2 . . 729 . . 87 GLU HB2 . 19848 1 1023 . 1 . 1 87 87 GLU HB3 H 1 1.673 0.002 . 2 . . 730 . . 87 GLU HB3 . 19848 1 1024 . 1 . 1 87 87 GLU HG2 H 1 2.035 0.007 . 2 . . 733 . . 87 GLU HG2 . 19848 1 1025 . 1 . 1 87 87 GLU HG3 H 1 2.034 0.007 . 2 . . 732 . . 87 GLU HG3 . 19848 1 1026 . 1 . 1 87 87 GLU CA C 13 56.439 0.048 . 1 . . 240 . . 87 GLU CA . 19848 1 1027 . 1 . 1 87 87 GLU CB C 13 33.430 . . 1 . . 727 . . 87 GLU CB . 19848 1 1028 . 1 . 1 87 87 GLU CG C 13 35.770 0.024 . 1 . . 731 . . 87 GLU CG . 19848 1 1029 . 1 . 1 87 87 GLU N N 15 117.343 0.036 . 1 . . 241 . . 87 GLU N . 19848 1 1030 . 1 . 1 88 88 SER H H 1 9.196 0.013 . 1 . . 995 . . 88 SER H . 19848 1 1031 . 1 . 1 88 88 SER HA H 1 5.275 0.01 . 1 . . 590 . . 88 SER HA . 19848 1 1032 . 1 . 1 88 88 SER HB2 H 1 3.629 0.005 . 2 . . 592 . . 88 SER HB2 . 19848 1 1033 . 1 . 1 88 88 SER HB3 H 1 3.751 0.003 . 2 . . 591 . . 88 SER HB3 . 19848 1 1034 . 1 . 1 88 88 SER C C 13 173.480 0.007 . 1 . . 589 . . 88 SER C . 19848 1 1035 . 1 . 1 88 88 SER CA C 13 58.319 0.042 . 1 . . 198 . . 88 SER CA . 19848 1 1036 . 1 . 1 88 88 SER CB C 13 64.644 0.009 . 1 . . 199 . . 88 SER CB . 19848 1 1037 . 1 . 1 88 88 SER N N 15 117.041 0.04 . 1 . . 994 . . 88 SER N . 19848 1 1038 . 1 . 1 89 89 TRP H H 1 9.327 0.005 . 1 . . 194 . . 89 TRP H . 19848 1 1039 . 1 . 1 89 89 TRP HA H 1 5.039 0.007 . 1 . . 351 . . 89 TRP HA . 19848 1 1040 . 1 . 1 89 89 TRP HB2 H 1 2.698 0.009 . 2 . . 602 . . 89 TRP HB2 . 19848 1 1041 . 1 . 1 89 89 TRP HB3 H 1 2.822 0.003 . 2 . . 601 . . 89 TRP HB3 . 19848 1 1042 . 1 . 1 89 89 TRP HD1 H 1 7.035 0.009 . 1 . . 918 . . 89 TRP HD1 . 19848 1 1043 . 1 . 1 89 89 TRP HE1 H 1 10.194 0.002 . 1 . . 1074 . . 89 TRP HE1 . 19848 1 1044 . 1 . 1 89 89 TRP HE3 H 1 6.889 0.003 . 1 . . 888 . . 89 TRP HE3 . 19848 1 1045 . 1 . 1 89 89 TRP HZ2 H 1 7.026 0.006 . 1 . . 886 . . 89 TRP HZ2 . 19848 1 1046 . 1 . 1 89 89 TRP HZ3 H 1 6.940 0.007 . 1 . . 889 . . 89 TRP HZ3 . 19848 1 1047 . 1 . 1 89 89 TRP HH2 H 1 6.746 0.011 . 1 . . 887 . . 89 TRP HH2 . 19848 1 1048 . 1 . 1 89 89 TRP C C 13 174.573 . . 1 . . 1164 . . 89 TRP C . 19848 1 1049 . 1 . 1 89 89 TRP CA C 13 56.463 0.03 . 1 . . 195 . . 89 TRP CA . 19848 1 1050 . 1 . 1 89 89 TRP CB C 13 33.661 0.035 . 1 . . 197 . . 89 TRP CB . 19848 1 1051 . 1 . 1 89 89 TRP CD1 C 13 127.314 0.023 . 1 . . 919 . . 89 TRP CD1 . 19848 1 1052 . 1 . 1 89 89 TRP CE3 C 13 119.418 0.019 . 1 . . 928 . . 89 TRP CE3 . 19848 1 1053 . 1 . 1 89 89 TRP CZ2 C 13 113.719 0.025 . 1 . . 924 . . 89 TRP CZ2 . 19848 1 1054 . 1 . 1 89 89 TRP CZ3 C 13 122.056 0.001 . 1 . . 926 . . 89 TRP CZ3 . 19848 1 1055 . 1 . 1 89 89 TRP CH2 C 13 124.225 0.031 . 1 . . 925 . . 89 TRP CH2 . 19848 1 1056 . 1 . 1 89 89 TRP N N 15 121.993 0.014 . 1 . . 196 . . 89 TRP N . 19848 1 1057 . 1 . 1 89 89 TRP NE1 N 15 131.918 0.026 . 1 . . 1075 . . 89 TRP NE1 . 19848 1 1058 . 1 . 1 90 90 ARG H H 1 9.111 0.01 . 1 . . 190 . . 90 ARG H . 19848 1 1059 . 1 . 1 90 90 ARG HA H 1 5.305 0.008 . 1 . . 596 . . 90 ARG HA . 19848 1 1060 . 1 . 1 90 90 ARG HB2 H 1 1.838 0.004 . 2 . . 719 . . 90 ARG HB2 . 19848 1 1061 . 1 . 1 90 90 ARG HB3 H 1 1.547 0.001 . 2 . . 720 . . 90 ARG HB3 . 19848 1 1062 . 1 . 1 90 90 ARG HG2 H 1 1.418 0.003 . 2 . . 724 . . 90 ARG HG2 . 19848 1 1063 . 1 . 1 90 90 ARG HG3 H 1 1.335 0.003 . 2 . . 723 . . 90 ARG HG3 . 19848 1 1064 . 1 . 1 90 90 ARG HD2 H 1 3.060 0.002 . 1 . . 722 . . 90 ARG HD2 . 19848 1 1065 . 1 . 1 90 90 ARG C C 13 175.380 0.03 . 1 . . 595 . . 90 ARG C . 19848 1 1066 . 1 . 1 90 90 ARG CA C 13 55.014 0.034 . 1 . . 191 . . 90 ARG CA . 19848 1 1067 . 1 . 1 90 90 ARG CB C 13 33.103 . . 1 . . 193 . . 90 ARG CB . 19848 1 1068 . 1 . 1 90 90 ARG CG C 13 27.982 . . 1 . . 721 . . 90 ARG CG . 19848 1 1069 . 1 . 1 90 90 ARG CD C 13 43.388 0.028 . 1 . . 725 . . 90 ARG CD . 19848 1 1070 . 1 . 1 90 90 ARG N N 15 122.084 0.024 . 1 . . 192 . . 90 ARG N . 19848 1 1071 . 1 . 1 91 91 LEU H H 1 9.275 0.005 . 1 . . 186 . . 91 LEU H . 19848 1 1072 . 1 . 1 91 91 LEU HA H 1 4.927 0.006 . 1 . . 342 . . 91 LEU HA . 19848 1 1073 . 1 . 1 91 91 LEU HB2 H 1 1.305 0.003 . 2 . . 561 . . 91 LEU HB2 . 19848 1 1074 . 1 . 1 91 91 LEU HB3 H 1 1.300 0.005 . 2 . . 554 . . 91 LEU HB3 . 19848 1 1075 . 1 . 1 91 91 LEU HG H 1 1.299 0.002 . 1 . . 560 . . 91 LEU HG . 19848 1 1076 . 1 . 1 91 91 LEU HD11 H 1 0.179 0.004 . 2 . . 558 . . 91 LEU HD11 . 19848 1 1077 . 1 . 1 91 91 LEU HD12 H 1 0.179 0.004 . 2 . . 558 . . 91 LEU HD12 . 19848 1 1078 . 1 . 1 91 91 LEU HD13 H 1 0.179 0.004 . 2 . . 558 . . 91 LEU HD13 . 19848 1 1079 . 1 . 1 91 91 LEU HD21 H 1 0.070 0.005 . 2 . . 556 . . 91 LEU HD21 . 19848 1 1080 . 1 . 1 91 91 LEU HD22 H 1 0.070 0.005 . 2 . . 556 . . 91 LEU HD22 . 19848 1 1081 . 1 . 1 91 91 LEU HD23 H 1 0.070 0.005 . 2 . . 556 . . 91 LEU HD23 . 19848 1 1082 . 1 . 1 91 91 LEU C C 13 175.427 . . 1 . . 1165 . . 91 LEU C . 19848 1 1083 . 1 . 1 91 91 LEU CA C 13 54.783 0.054 . 1 . . 188 . . 91 LEU CA . 19848 1 1084 . 1 . 1 91 91 LEU CB C 13 45.081 0.018 . 1 . . 189 . . 91 LEU CB . 19848 1 1085 . 1 . 1 91 91 LEU CG C 13 28.844 0.017 . 1 . . 559 . . 91 LEU CG . 19848 1 1086 . 1 . 1 91 91 LEU CD1 C 13 26.345 0.011 . 2 . . 557 . . 91 LEU CD1 . 19848 1 1087 . 1 . 1 91 91 LEU CD2 C 13 26.145 0.041 . 2 . . 555 . . 91 LEU CD2 . 19848 1 1088 . 1 . 1 91 91 LEU N N 15 130.828 0.039 . 1 . . 187 . . 91 LEU N . 19848 1 1089 . 1 . 1 92 92 THR H H 1 8.989 0.004 . 1 . . 182 . . 92 THR H . 19848 1 1090 . 1 . 1 92 92 THR HA H 1 5.013 0.007 . 1 . . 369 . . 92 THR HA . 19848 1 1091 . 1 . 1 92 92 THR HB H 1 4.050 0.007 . 1 . . 412 . . 92 THR HB . 19848 1 1092 . 1 . 1 92 92 THR HG21 H 1 1.177 0.003 . 1 . . 413 . . 92 THR HG21 . 19848 1 1093 . 1 . 1 92 92 THR HG22 H 1 1.177 0.003 . 1 . . 413 . . 92 THR HG22 . 19848 1 1094 . 1 . 1 92 92 THR HG23 H 1 1.177 0.003 . 1 . . 413 . . 92 THR HG23 . 19848 1 1095 . 1 . 1 92 92 THR C C 13 174.082 . . 1 . . 1166 . . 92 THR C . 19848 1 1096 . 1 . 1 92 92 THR CA C 13 62.152 0.05 . 1 . . 183 . . 92 THR CA . 19848 1 1097 . 1 . 1 92 92 THR CB C 13 70.501 0.059 . 1 . . 185 . . 92 THR CB . 19848 1 1098 . 1 . 1 92 92 THR CG2 C 13 21.477 0.009 . 1 . . 414 . . 92 THR CG2 . 19848 1 1099 . 1 . 1 92 92 THR N N 15 118.049 0.018 . 1 . . 184 . . 92 THR N . 19848 1 1100 . 1 . 1 93 93 THR H H 1 8.771 0.004 . 1 . . 178 . . 93 THR H . 19848 1 1101 . 1 . 1 93 93 THR HA H 1 4.985 0.006 . 1 . . 375 . . 93 THR HA . 19848 1 1102 . 1 . 1 93 93 THR HB H 1 4.778 0.006 . 1 . . 708 . . 93 THR HB . 19848 1 1103 . 1 . 1 93 93 THR HG21 H 1 1.440 0.004 . 1 . . 706 . . 93 THR HG21 . 19848 1 1104 . 1 . 1 93 93 THR HG22 H 1 1.440 0.004 . 1 . . 706 . . 93 THR HG22 . 19848 1 1105 . 1 . 1 93 93 THR HG23 H 1 1.440 0.004 . 1 . . 706 . . 93 THR HG23 . 19848 1 1106 . 1 . 1 93 93 THR C C 13 175.400 . . 1 . . 1167 . . 93 THR C . 19848 1 1107 . 1 . 1 93 93 THR CA C 13 59.649 0.017 . 1 . . 179 . . 93 THR CA . 19848 1 1108 . 1 . 1 93 93 THR CB C 13 72.111 . . 1 . . 181 . . 93 THR CB . 19848 1 1109 . 1 . 1 93 93 THR CG2 C 13 22.340 0.008 . 1 . . 707 . . 93 THR CG2 . 19848 1 1110 . 1 . 1 93 93 THR N N 15 116.164 0.018 . 1 . . 180 . . 93 THR N . 19848 1 1111 . 1 . 1 94 94 GLY H H 1 9.012 0.005 . 1 . . 175 . . 94 GLY H . 19848 1 1112 . 1 . 1 94 94 GLY HA3 H 1 3.979 0.006 . 1 . . 718 . . 94 GLY HA3 . 19848 1 1113 . 1 . 1 94 94 GLY C C 13 174.904 . . 1 . . 717 . . 94 GLY C . 19848 1 1114 . 1 . 1 94 94 GLY CA C 13 46.632 0.027 . 1 . . 177 . . 94 GLY CA . 19848 1 1115 . 1 . 1 94 94 GLY N N 15 108.788 0.02 . 1 . . 176 . . 94 GLY N . 19848 1 1116 . 1 . 1 95 95 GLU H H 1 8.305 0.005 . 1 . . 171 . . 95 GLU H . 19848 1 1117 . 1 . 1 95 95 GLU HA H 1 4.461 0.006 . 1 . . 391 . . 95 GLU HA . 19848 1 1118 . 1 . 1 95 95 GLU HB2 H 1 2.193 0.002 . 2 . . 712 . . 95 GLU HB2 . 19848 1 1119 . 1 . 1 95 95 GLU HB3 H 1 2.009 0.002 . 2 . . 713 . . 95 GLU HB3 . 19848 1 1120 . 1 . 1 95 95 GLU HG2 H 1 2.258 0.005 . 2 . . 716 . . 95 GLU HG2 . 19848 1 1121 . 1 . 1 95 95 GLU HG3 H 1 2.261 0.006 . 2 . . 715 . . 95 GLU HG3 . 19848 1 1122 . 1 . 1 95 95 GLU C C 13 175.970 . . 1 . . 1168 . . 95 GLU C . 19848 1 1123 . 1 . 1 95 95 GLU CA C 13 56.310 0.01 . 1 . . 172 . . 95 GLU CA . 19848 1 1124 . 1 . 1 95 95 GLU CB C 13 30.997 0.026 . 1 . . 174 . . 95 GLU CB . 19848 1 1125 . 1 . 1 95 95 GLU CG C 13 36.767 0.007 . 1 . . 714 . . 95 GLU CG . 19848 1 1126 . 1 . 1 95 95 GLU N N 15 117.711 0.017 . 1 . . 173 . . 95 GLU N . 19848 1 1127 . 1 . 1 96 96 GLY H H 1 7.538 0.005 . 1 . . 168 . . 96 GLY H . 19848 1 1128 . 1 . 1 96 96 GLY HA2 H 1 3.837 0.006 . 2 . . 711 . . 96 GLY HA2 . 19848 1 1129 . 1 . 1 96 96 GLY HA3 H 1 4.021 0.003 . 2 . . 710 . . 96 GLY HA3 . 19848 1 1130 . 1 . 1 96 96 GLY C C 13 170.359 . . 1 . . 709 . . 96 GLY C . 19848 1 1131 . 1 . 1 96 96 GLY CA C 13 45.010 0.048 . 1 . . 169 . . 96 GLY CA . 19848 1 1132 . 1 . 1 96 96 GLY N N 15 108.131 0.013 . 1 . . 170 . . 96 GLY N . 19848 1 1133 . 1 . 1 97 97 ALA H H 1 7.818 0.002 . 1 . . 162 . . 97 ALA H . 19848 1 1134 . 1 . 1 97 97 ALA HA H 1 5.364 0.005 . 1 . . 361 . . 97 ALA HA . 19848 1 1135 . 1 . 1 97 97 ALA HB1 H 1 1.172 0.005 . 1 . . 411 . . 97 ALA HB1 . 19848 1 1136 . 1 . 1 97 97 ALA HB2 H 1 1.172 0.005 . 1 . . 411 . . 97 ALA HB2 . 19848 1 1137 . 1 . 1 97 97 ALA HB3 H 1 1.172 0.005 . 1 . . 411 . . 97 ALA HB3 . 19848 1 1138 . 1 . 1 97 97 ALA C C 13 176.562 . . 1 . . 1169 . . 97 ALA C . 19848 1 1139 . 1 . 1 97 97 ALA CA C 13 50.512 0.044 . 1 . . 163 . . 97 ALA CA . 19848 1 1140 . 1 . 1 97 97 ALA CB C 13 21.392 0.034 . 1 . . 167 . . 97 ALA CB . 19848 1 1141 . 1 . 1 97 97 ALA N N 15 121.783 0.016 . 1 . . 164 . . 97 ALA N . 19848 1 1142 . 1 . 1 98 98 TYR H H 1 9.032 0.003 . 1 . . 159 . . 98 TYR H . 19848 1 1143 . 1 . 1 98 98 TYR HA H 1 4.905 0.007 . 1 . . 368 . . 98 TYR HA . 19848 1 1144 . 1 . 1 98 98 TYR HB2 H 1 2.358 0.005 . 2 . . 571 . . 98 TYR HB2 . 19848 1 1145 . 1 . 1 98 98 TYR HB3 H 1 2.769 0.005 . 2 . . 570 . . 98 TYR HB3 . 19848 1 1146 . 1 . 1 98 98 TYR HD1 H 1 7.233 0.005 . 1 . . 880 . . 98 TYR HD1 . 19848 1 1147 . 1 . 1 98 98 TYR HD2 H 1 7.233 0.005 . 1 . . 881 . . 98 TYR HD2 . 19848 1 1148 . 1 . 1 98 98 TYR HE1 H 1 6.942 0.004 . 1 . . 882 . . 98 TYR HE1 . 19848 1 1149 . 1 . 1 98 98 TYR HE2 H 1 6.942 0.004 . 1 . . 883 . . 98 TYR HE2 . 19848 1 1150 . 1 . 1 98 98 TYR C C 13 174.293 . . 1 . . 1170 . . 98 TYR C . 19848 1 1151 . 1 . 1 98 98 TYR CA C 13 57.415 0.011 . 1 . . 160 . . 98 TYR CA . 19848 1 1152 . 1 . 1 98 98 TYR CB C 13 42.860 0.037 . 1 . . 165 . . 98 TYR CB . 19848 1 1153 . 1 . 1 98 98 TYR CD1 C 13 134.135 0.007 . 1 . . 904 . . 98 TYR CD1 . 19848 1 1154 . 1 . 1 98 98 TYR CD2 C 13 134.135 0.007 . 1 . . 905 . . 98 TYR CD2 . 19848 1 1155 . 1 . 1 98 98 TYR CE1 C 13 118.203 0.008 . 1 . . 911 . . 98 TYR CE1 . 19848 1 1156 . 1 . 1 98 98 TYR CE2 C 13 118.203 0.008 . 1 . . 912 . . 98 TYR CE2 . 19848 1 1157 . 1 . 1 98 98 TYR N N 15 119.547 0.009 . 1 . . 161 . . 98 TYR N . 19848 1 1158 . 1 . 1 99 99 GLN H H 1 9.157 0.007 . 1 . . 156 . . 99 GLN H . 19848 1 1159 . 1 . 1 99 99 GLN HA H 1 5.220 0.002 . 1 . . 352 . . 99 GLN HA . 19848 1 1160 . 1 . 1 99 99 GLN HB2 H 1 1.961 0.002 . 2 . . 825 . . 99 GLN HB2 . 19848 1 1161 . 1 . 1 99 99 GLN HB3 H 1 2.100 0.004 . 2 . . 824 . . 99 GLN HB3 . 19848 1 1162 . 1 . 1 99 99 GLN HG2 H 1 2.135 0.007 . 2 . . 828 . . 99 GLN HG2 . 19848 1 1163 . 1 . 1 99 99 GLN HG3 H 1 2.240 0.005 . 2 . . 827 . . 99 GLN HG3 . 19848 1 1164 . 1 . 1 99 99 GLN HE21 H 1 6.626 0.002 . 1 . . 1063 . . 99 GLN HE21 . 19848 1 1165 . 1 . 1 99 99 GLN HE22 H 1 7.454 0.001 . 1 . . 1061 . . 99 GLN HE22 . 19848 1 1166 . 1 . 1 99 99 GLN C C 13 174.692 . . 1 . . 1171 . . 99 GLN C . 19848 1 1167 . 1 . 1 99 99 GLN CA C 13 54.353 0.04 . 1 . . 157 . . 99 GLN CA . 19848 1 1168 . 1 . 1 99 99 GLN CB C 13 30.596 0.009 . 1 . . 166 . . 99 GLN CB . 19848 1 1169 . 1 . 1 99 99 GLN CG C 13 34.318 0.021 . 1 . . 826 . . 99 GLN CG . 19848 1 1170 . 1 . 1 99 99 GLN N N 15 122.699 0.02 . 1 . . 158 . . 99 GLN N . 19848 1 1171 . 1 . 1 99 99 GLN NE2 N 15 110.195 0.013 . 1 . . 1062 . . 99 GLN NE2 . 19848 1 1172 . 1 . 1 100 100 LEU H H 1 9.225 0.007 . 1 . . 153 . . 100 LEU H . 19848 1 1173 . 1 . 1 100 100 LEU HA H 1 5.282 0.003 . 1 . . 343 . . 100 LEU HA . 19848 1 1174 . 1 . 1 100 100 LEU HB2 H 1 1.284 0.003 . 2 . . 563 . . 100 LEU HB2 . 19848 1 1175 . 1 . 1 100 100 LEU HB3 H 1 1.056 0.002 . 2 . . 562 . . 100 LEU HB3 . 19848 1 1176 . 1 . 1 100 100 LEU HG H 1 1.289 0.002 . 1 . . 569 . . 100 LEU HG . 19848 1 1177 . 1 . 1 100 100 LEU HD11 H 1 0.373 0.005 . 2 . . 565 . . 100 LEU HD11 . 19848 1 1178 . 1 . 1 100 100 LEU HD12 H 1 0.373 0.005 . 2 . . 565 . . 100 LEU HD12 . 19848 1 1179 . 1 . 1 100 100 LEU HD13 H 1 0.373 0.005 . 2 . . 565 . . 100 LEU HD13 . 19848 1 1180 . 1 . 1 100 100 LEU HD21 H 1 0.347 0.005 . 2 . . 567 . . 100 LEU HD21 . 19848 1 1181 . 1 . 1 100 100 LEU HD22 H 1 0.347 0.005 . 2 . . 567 . . 100 LEU HD22 . 19848 1 1182 . 1 . 1 100 100 LEU HD23 H 1 0.347 0.005 . 2 . . 567 . . 100 LEU HD23 . 19848 1 1183 . 1 . 1 100 100 LEU C C 13 175.139 . . 1 . . 587 . . 100 LEU C . 19848 1 1184 . 1 . 1 100 100 LEU CA C 13 53.710 0.028 . 1 . . 154 . . 100 LEU CA . 19848 1 1185 . 1 . 1 100 100 LEU CB C 13 46.803 0.02 . 1 . . 330 . . 100 LEU CB . 19848 1 1186 . 1 . 1 100 100 LEU CG C 13 27.947 0.023 . 1 . . 568 . . 100 LEU CG . 19848 1 1187 . 1 . 1 100 100 LEU CD1 C 13 26.278 0.014 . 2 . . 564 . . 100 LEU CD1 . 19848 1 1188 . 1 . 1 100 100 LEU CD2 C 13 25.821 0.02 . 2 . . 566 . . 100 LEU CD2 . 19848 1 1189 . 1 . 1 100 100 LEU N N 15 128.594 0.015 . 1 . . 155 . . 100 LEU N . 19848 1 1190 . 1 . 1 101 101 ARG H H 1 8.908 0.01 . 1 . . 152 . . 101 ARG H . 19848 1 1191 . 1 . 1 101 101 ARG HA H 1 4.786 0.006 . 1 . . 349 . . 101 ARG HA . 19848 1 1192 . 1 . 1 101 101 ARG HB2 H 1 1.691 0.004 . 2 . . 802 . . 101 ARG HB2 . 19848 1 1193 . 1 . 1 101 101 ARG HB3 H 1 1.553 0.005 . 2 . . 805 . . 101 ARG HB3 . 19848 1 1194 . 1 . 1 101 101 ARG HG2 H 1 1.290 0.004 . 2 . . 806 . . 101 ARG HG2 . 19848 1 1195 . 1 . 1 101 101 ARG HG3 H 1 1.489 0.006 . 2 . . 804 . . 101 ARG HG3 . 19848 1 1196 . 1 . 1 101 101 ARG HD2 H 1 3.054 0.002 . 2 . . 808 . . 101 ARG HD2 . 19848 1 1197 . 1 . 1 101 101 ARG HD3 H 1 2.984 0.003 . 2 . . 809 . . 101 ARG HD3 . 19848 1 1198 . 1 . 1 101 101 ARG C C 13 174.313 0.044 . 1 . . 588 . . 101 ARG C . 19848 1 1199 . 1 . 1 101 101 ARG CA C 13 55.741 0.032 . 1 . . 151 . . 101 ARG CA . 19848 1 1200 . 1 . 1 101 101 ARG CB C 13 34.884 0.011 . 1 . . 801 . . 101 ARG CB . 19848 1 1201 . 1 . 1 101 101 ARG CG C 13 27.947 0.017 . 1 . . 803 . . 101 ARG CG . 19848 1 1202 . 1 . 1 101 101 ARG CD C 13 43.595 0.062 . 1 . . 807 . . 101 ARG CD . 19848 1 1203 . 1 . 1 101 101 ARG N N 15 123.958 0.028 . 1 . . 150 . . 101 ARG N . 19848 1 1204 . 1 . 1 102 102 CYS H H 1 9.068 0.006 . 1 . . 147 . . 102 CYS H . 19848 1 1205 . 1 . 1 102 102 CYS HA H 1 4.471 0.003 . 1 . . 573 . . 102 CYS HA . 19848 1 1206 . 1 . 1 102 102 CYS HB2 H 1 2.468 0.005 . 2 . . 575 . . 102 CYS HB2 . 19848 1 1207 . 1 . 1 102 102 CYS HB3 H 1 3.001 0.005 . 2 . . 574 . . 102 CYS HB3 . 19848 1 1208 . 1 . 1 102 102 CYS C C 13 173.701 0.035 . 1 . . 572 . . 102 CYS C . 19848 1 1209 . 1 . 1 102 102 CYS CA C 13 58.131 0.039 . 1 . . 148 . . 102 CYS CA . 19848 1 1210 . 1 . 1 102 102 CYS CB C 13 28.219 0.019 . 1 . . 329 . . 102 CYS CB . 19848 1 1211 . 1 . 1 102 102 CYS N N 15 124.261 0.024 . 1 . . 149 . . 102 CYS N . 19848 1 1212 . 1 . 1 103 103 LEU H H 1 8.501 0.004 . 1 . . 143 . . 103 LEU H . 19848 1 1213 . 1 . 1 103 103 LEU HA H 1 4.646 0.005 . 1 . . 348 . . 103 LEU HA . 19848 1 1214 . 1 . 1 103 103 LEU HB3 H 1 1.538 0.002 . 1 . . 776 . . 103 LEU HB3 . 19848 1 1215 . 1 . 1 103 103 LEU HG H 1 1.353 0.004 . 1 . . 778 . . 103 LEU HG . 19848 1 1216 . 1 . 1 103 103 LEU HD11 H 1 0.698 0.003 . 2 . . 774 . . 103 LEU HD11 . 19848 1 1217 . 1 . 1 103 103 LEU HD12 H 1 0.698 0.003 . 2 . . 774 . . 103 LEU HD12 . 19848 1 1218 . 1 . 1 103 103 LEU HD13 H 1 0.698 0.003 . 2 . . 774 . . 103 LEU HD13 . 19848 1 1219 . 1 . 1 103 103 LEU HD21 H 1 0.657 0.006 . 2 . . 775 . . 103 LEU HD21 . 19848 1 1220 . 1 . 1 103 103 LEU HD22 H 1 0.657 0.006 . 2 . . 775 . . 103 LEU HD22 . 19848 1 1221 . 1 . 1 103 103 LEU HD23 H 1 0.657 0.006 . 2 . . 775 . . 103 LEU HD23 . 19848 1 1222 . 1 . 1 103 103 LEU C C 13 176.636 . . 1 . . 1172 . . 103 LEU C . 19848 1 1223 . 1 . 1 103 103 LEU CA C 13 54.446 0.044 . 1 . . 144 . . 103 LEU CA . 19848 1 1224 . 1 . 1 103 103 LEU CB C 13 43.783 0.021 . 1 . . 146 . . 103 LEU CB . 19848 1 1225 . 1 . 1 103 103 LEU CG C 13 27.732 0.021 . 1 . . 777 . . 103 LEU CG . 19848 1 1226 . 1 . 1 103 103 LEU CD1 C 13 24.007 0.011 . 2 . . 780 . . 103 LEU CD1 . 19848 1 1227 . 1 . 1 103 103 LEU CD2 C 13 25.491 0.011 . 2 . . 779 . . 103 LEU CD2 . 19848 1 1228 . 1 . 1 103 103 LEU N N 15 124.396 0.014 . 1 . . 145 . . 103 LEU N . 19848 1 1229 . 1 . 1 104 104 GLY H H 1 8.486 0.001 . 1 . . 140 . . 104 GLY H . 19848 1 1230 . 1 . 1 104 104 GLY HA2 H 1 4.271 0.004 . 2 . . 382 . . 104 GLY HA2 . 19848 1 1231 . 1 . 1 104 104 GLY HA3 H 1 3.868 0.007 . 2 . . 381 . . 104 GLY HA3 . 19848 1 1232 . 1 . 1 104 104 GLY C C 13 173.369 . . 1 . . 1173 . . 104 GLY C . 19848 1 1233 . 1 . 1 104 104 GLY CA C 13 44.716 0.039 . 1 . . 141 . . 104 GLY CA . 19848 1 1234 . 1 . 1 104 104 GLY N N 15 110.303 0.01 . 1 . . 142 . . 104 GLY N . 19848 1 1235 . 1 . 1 105 105 ALA H H 1 8.521 0.009 . 1 . . 136 . . 105 ALA H . 19848 1 1236 . 1 . 1 105 105 ALA HA H 1 4.297 0.007 . 1 . . 358 . . 105 ALA HA . 19848 1 1237 . 1 . 1 105 105 ALA HB1 H 1 1.310 0.003 . 1 . . 431 . . 105 ALA HB1 . 19848 1 1238 . 1 . 1 105 105 ALA HB2 H 1 1.310 0.003 . 1 . . 431 . . 105 ALA HB2 . 19848 1 1239 . 1 . 1 105 105 ALA HB3 H 1 1.310 0.003 . 1 . . 431 . . 105 ALA HB3 . 19848 1 1240 . 1 . 1 105 105 ALA C C 13 177.991 . . 1 . . 986 . . 105 ALA C . 19848 1 1241 . 1 . 1 105 105 ALA CA C 13 52.436 0.032 . 1 . . 139 . . 105 ALA CA . 19848 1 1242 . 1 . 1 105 105 ALA CB C 13 19.466 0.028 . 1 . . 137 . . 105 ALA CB . 19848 1 1243 . 1 . 1 105 105 ALA N N 15 123.497 0.01 . 1 . . 138 . . 105 ALA N . 19848 1 1244 . 1 . 1 106 106 VAL H H 1 8.228 0.005 . 1 . . 132 . . 106 VAL H . 19848 1 1245 . 1 . 1 106 106 VAL HA H 1 4.095 0.006 . 1 . . 394 . . 106 VAL HA . 19848 1 1246 . 1 . 1 106 106 VAL HB H 1 2.017 0.003 . 1 . . 433 . . 106 VAL HB . 19848 1 1247 . 1 . 1 106 106 VAL HG11 H 1 0.901 0.003 . 2 . . 437 . . 106 VAL HG11 . 19848 1 1248 . 1 . 1 106 106 VAL HG12 H 1 0.901 0.003 . 2 . . 437 . . 106 VAL HG12 . 19848 1 1249 . 1 . 1 106 106 VAL HG13 H 1 0.901 0.003 . 2 . . 437 . . 106 VAL HG13 . 19848 1 1250 . 1 . 1 106 106 VAL HG21 H 1 0.895 0.006 . 2 . . 435 . . 106 VAL HG21 . 19848 1 1251 . 1 . 1 106 106 VAL HG22 H 1 0.895 0.006 . 2 . . 435 . . 106 VAL HG22 . 19848 1 1252 . 1 . 1 106 106 VAL HG23 H 1 0.895 0.006 . 2 . . 435 . . 106 VAL HG23 . 19848 1 1253 . 1 . 1 106 106 VAL C C 13 176.313 . . 1 . . 1174 . . 106 VAL C . 19848 1 1254 . 1 . 1 106 106 VAL CA C 13 62.162 0.014 . 1 . . 133 . . 106 VAL CA . 19848 1 1255 . 1 . 1 106 106 VAL CB C 13 32.944 0.056 . 1 . . 135 . . 106 VAL CB . 19848 1 1256 . 1 . 1 106 106 VAL CG1 C 13 20.643 0.014 . 2 . . 436 . . 106 VAL CG1 . 19848 1 1257 . 1 . 1 106 106 VAL CG2 C 13 21.196 0.014 . 2 . . 434 . . 106 VAL CG2 . 19848 1 1258 . 1 . 1 106 106 VAL N N 15 119.758 0.03 . 1 . . 134 . . 106 VAL N . 19848 1 1259 . 1 . 1 107 107 SER H H 1 8.388 0.005 . 1 . . 129 . . 107 SER H . 19848 1 1260 . 1 . 1 107 107 SER HA H 1 4.416 0.006 . 1 . . 393 . . 107 SER HA . 19848 1 1261 . 1 . 1 107 107 SER HB3 H 1 3.799 0.005 . 1 . . 822 . . 107 SER HB3 . 19848 1 1262 . 1 . 1 107 107 SER C C 13 174.285 . . 1 . . 1175 . . 107 SER C . 19848 1 1263 . 1 . 1 107 107 SER CA C 13 58.078 0.016 . 1 . . 130 . . 107 SER CA . 19848 1 1264 . 1 . 1 107 107 SER CB C 13 63.902 0.028 . 1 . . 223 . . 107 SER CB . 19848 1 1265 . 1 . 1 107 107 SER N N 15 120.104 0.041 . 1 . . 131 . . 107 SER N . 19848 1 1266 . 1 . 1 108 108 ALA H H 1 8.430 0.006 . 1 . . 222 . . 108 ALA H . 19848 1 1267 . 1 . 1 108 108 ALA HA H 1 4.344 0.007 . 1 . . 344 . . 108 ALA HA . 19848 1 1268 . 1 . 1 108 108 ALA HB1 H 1 1.352 0.005 . 1 . . 432 . . 108 ALA HB1 . 19848 1 1269 . 1 . 1 108 108 ALA HB2 H 1 1.352 0.005 . 1 . . 432 . . 108 ALA HB2 . 19848 1 1270 . 1 . 1 108 108 ALA HB3 H 1 1.352 0.005 . 1 . . 432 . . 108 ALA HB3 . 19848 1 1271 . 1 . 1 108 108 ALA C C 13 177.727 . . 1 . . 1176 . . 108 ALA C . 19848 1 1272 . 1 . 1 108 108 ALA CA C 13 52.495 0.019 . 1 . . 219 . . 108 ALA CA . 19848 1 1273 . 1 . 1 108 108 ALA CB C 13 19.328 0.026 . 1 . . 220 . . 108 ALA CB . 19848 1 1274 . 1 . 1 108 108 ALA N N 15 126.966 0.019 . 1 . . 221 . . 108 ALA N . 19848 1 1275 . 1 . 1 109 109 SER H H 1 8.334 0.002 . 1 . . 217 . . 109 SER H . 19848 1 1276 . 1 . 1 109 109 SER HA H 1 4.396 0.01 . 1 . . 380 . . 109 SER HA . 19848 1 1277 . 1 . 1 109 109 SER HB3 H 1 3.744 . . 1 . . 823 . . 109 SER HB3 . 19848 1 1278 . 1 . 1 109 109 SER C C 13 175.147 . . 1 . . 1177 . . 109 SER C . 19848 1 1279 . 1 . 1 109 109 SER CA C 13 58.416 0.09 . 1 . . 216 . . 109 SER CA . 19848 1 1280 . 1 . 1 109 109 SER CB C 13 63.993 . . 1 . . 218 . . 109 SER CB . 19848 1 1281 . 1 . 1 109 109 SER N N 15 115.468 0.012 . 1 . . 215 . . 109 SER N . 19848 1 1282 . 1 . 1 110 110 GLY H H 1 8.375 0.003 . 1 . . 212 . . 110 GLY H . 19848 1 1283 . 1 . 1 110 110 GLY HA3 H 1 3.947 0.003 . 1 . . 396 . . 110 GLY HA3 . 19848 1 1284 . 1 . 1 110 110 GLY C C 13 174.148 . . 1 . . 1157 . . 110 GLY C . 19848 1 1285 . 1 . 1 110 110 GLY CA C 13 45.387 0.006 . 1 . . 213 . . 110 GLY CA . 19848 1 1286 . 1 . 1 110 110 GLY N N 15 111.046 0.006 . 1 . . 214 . . 110 GLY N . 19848 1 1287 . 1 . 1 111 111 GLU H H 1 8.237 0.004 . 1 . . 208 . . 111 GLU H . 19848 1 1288 . 1 . 1 111 111 GLU HA H 1 4.290 0.002 . 1 . . 395 . . 111 GLU HA . 19848 1 1289 . 1 . 1 111 111 GLU HB2 H 1 1.851 . . 1 . . 1181 . . 111 GLU HB2 . 19848 1 1290 . 1 . 1 111 111 GLU HG3 H 1 2.039 . . 1 . . 1182 . . 111 GLU HG3 . 19848 1 1291 . 1 . 1 111 111 GLU C C 13 176.158 . . 1 . . 976 . . 111 GLU C . 19848 1 1292 . 1 . 1 111 111 GLU CA C 13 56.395 0.036 . 1 . . 209 . . 111 GLU CA . 19848 1 1293 . 1 . 1 111 111 GLU CB C 13 30.333 . . 1 . . 211 . . 111 GLU CB . 19848 1 1294 . 1 . 1 111 111 GLU N N 15 120.170 0.02 . 1 . . 210 . . 111 GLU N . 19848 1 1295 . 1 . 1 112 112 ASP H H 1 8.375 0.004 . 1 . . 204 . . 112 ASP H . 19848 1 1296 . 1 . 1 112 112 ASP HA H 1 4.565 0.007 . 1 . . 392 . . 112 ASP HA . 19848 1 1297 . 1 . 1 112 112 ASP HB2 H 1 2.535 0.004 . 2 . . 971 . . 112 ASP HB2 . 19848 1 1298 . 1 . 1 112 112 ASP HB3 H 1 2.689 0.004 . 2 . . 970 . . 112 ASP HB3 . 19848 1 1299 . 1 . 1 112 112 ASP C C 13 175.181 . . 1 . . 1178 . . 112 ASP C . 19848 1 1300 . 1 . 1 112 112 ASP CA C 13 54.494 0.035 . 1 . . 205 . . 112 ASP CA . 19848 1 1301 . 1 . 1 112 112 ASP CB C 13 41.119 0.008 . 1 . . 207 . . 112 ASP CB . 19848 1 1302 . 1 . 1 112 112 ASP N N 15 121.254 0.011 . 1 . . 206 . . 112 ASP N . 19848 1 1303 . 1 . 1 113 113 GLU H H 1 7.821 0.003 . 1 . . 202 . . 113 GLU H . 19848 1 1304 . 1 . 1 113 113 GLU HA H 1 4.058 0.009 . 1 . . 346 . . 113 GLU HA . 19848 1 1305 . 1 . 1 113 113 GLU HB2 H 1 1.824 0.004 . 2 . . 972 . . 113 GLU HB2 . 19848 1 1306 . 1 . 1 113 113 GLU HB3 H 1 1.977 0.001 . 2 . . 973 . . 113 GLU HB3 . 19848 1 1307 . 1 . 1 113 113 GLU HG3 H 1 2.143 0.003 . 1 . . 975 . . 113 GLU HG3 . 19848 1 1308 . 1 . 1 113 113 GLU CA C 13 57.971 0.052 . 1 . . 201 . . 113 GLU CA . 19848 1 1309 . 1 . 1 113 113 GLU CB C 13 31.203 0.037 . 1 . . 203 . . 113 GLU CB . 19848 1 1310 . 1 . 1 113 113 GLU CG C 13 36.489 . . 1 . . 974 . . 113 GLU CG . 19848 1 1311 . 1 . 1 113 113 GLU N N 15 125.680 0.039 . 1 . . 200 . . 113 GLU N . 19848 1 stop_ save_