data_19893 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19893 _Entry.Title ; Chemical Shift Assignments and structure of Q4D059, a hypothetical protein from Trypanosoma cruzi ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-04-07 _Entry.Accession_date 2014-04-07 _Entry.Last_release_date 2015-03-16 _Entry.Original_release_date 2015-03-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Aracelys Lopez . . . 19893 2 'Jose Ricardo' Pires . . . 19893 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' . 19893 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'neglected diseases' . 19893 NMR . 19893 'protein structure' . 19893 trypanosomatids . 19893 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19893 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 335 19893 '15N chemical shifts' 84 19893 '1H chemical shifts' 514 19893 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 . . 2015-03-16 2014-04-07 original author . 19893 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MNI 'BMRB Entry Tracking System' 19893 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19893 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title '1H, 15N and 13C resonance assignments and secondary structure prediction of Q4D059, a conserved and specific hypothetical protein from Trypanosoma cruzi' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Aracelys Lopez . . . 19893 1 2 'Jose Ricardo' Pires . . . 19893 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19893 _Assembly.ID 1 _Assembly.Name 'Q4D059, a hypothetical protein from Trypanosoma cruzi' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 HP_Q4D059 1 $HP_Q4D059 A . yes native no no . . . 19893 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HP_Q4D059 _Entity.Sf_category entity _Entity.Sf_framecode HP_Q4D059 _Entity.Entry_ID 19893 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HP_Q4D059 _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 ; GSAMGHMPAVDVEIHFPLKR IAAEGYAEDELLLNQMGKVN DTPEEEGMPLRAWVIKCAHE ALEKNPKIREVYLKPRAVKN SSVQFHVIFDEE ; _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 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10429.040 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MNI . "Chemical Shift Assignments And Structure Of Q4d059, A Hypothetical Protein From Trypanosoma Cruzi" . . . . . 100.00 92 100.00 100.00 3.74e-60 . . . . 19893 1 2 no GB EAN85913 . "hypothetical protein, conserved [Trypanosoma cruzi]" . . . . . 93.48 86 100.00 100.00 4.01e-55 . . . . 19893 1 3 no REF XP_807764 . "hypothetical protein [Trypanosoma cruzi strain CL Brener]" . . . . . 93.48 86 100.00 100.00 4.01e-55 . . . . 19893 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLY . 19893 1 2 2 SER . 19893 1 3 3 ALA . 19893 1 4 4 MET . 19893 1 5 5 GLY . 19893 1 6 6 HIS . 19893 1 7 7 MET . 19893 1 8 8 PRO . 19893 1 9 9 ALA . 19893 1 10 10 VAL . 19893 1 11 11 ASP . 19893 1 12 12 VAL . 19893 1 13 13 GLU . 19893 1 14 14 ILE . 19893 1 15 15 HIS . 19893 1 16 16 PHE . 19893 1 17 17 PRO . 19893 1 18 18 LEU . 19893 1 19 19 LYS . 19893 1 20 20 ARG . 19893 1 21 21 ILE . 19893 1 22 22 ALA . 19893 1 23 23 ALA . 19893 1 24 24 GLU . 19893 1 25 25 GLY . 19893 1 26 26 TYR . 19893 1 27 27 ALA . 19893 1 28 28 GLU . 19893 1 29 29 ASP . 19893 1 30 30 GLU . 19893 1 31 31 LEU . 19893 1 32 32 LEU . 19893 1 33 33 LEU . 19893 1 34 34 ASN . 19893 1 35 35 GLN . 19893 1 36 36 MET . 19893 1 37 37 GLY . 19893 1 38 38 LYS . 19893 1 39 39 VAL . 19893 1 40 40 ASN . 19893 1 41 41 ASP . 19893 1 42 42 THR . 19893 1 43 43 PRO . 19893 1 44 44 GLU . 19893 1 45 45 GLU . 19893 1 46 46 GLU . 19893 1 47 47 GLY . 19893 1 48 48 MET . 19893 1 49 49 PRO . 19893 1 50 50 LEU . 19893 1 51 51 ARG . 19893 1 52 52 ALA . 19893 1 53 53 TRP . 19893 1 54 54 VAL . 19893 1 55 55 ILE . 19893 1 56 56 LYS . 19893 1 57 57 CYS . 19893 1 58 58 ALA . 19893 1 59 59 HIS . 19893 1 60 60 GLU . 19893 1 61 61 ALA . 19893 1 62 62 LEU . 19893 1 63 63 GLU . 19893 1 64 64 LYS . 19893 1 65 65 ASN . 19893 1 66 66 PRO . 19893 1 67 67 LYS . 19893 1 68 68 ILE . 19893 1 69 69 ARG . 19893 1 70 70 GLU . 19893 1 71 71 VAL . 19893 1 72 72 TYR . 19893 1 73 73 LEU . 19893 1 74 74 LYS . 19893 1 75 75 PRO . 19893 1 76 76 ARG . 19893 1 77 77 ALA . 19893 1 78 78 VAL . 19893 1 79 79 LYS . 19893 1 80 80 ASN . 19893 1 81 81 SER . 19893 1 82 82 SER . 19893 1 83 83 VAL . 19893 1 84 84 GLN . 19893 1 85 85 PHE . 19893 1 86 86 HIS . 19893 1 87 87 VAL . 19893 1 88 88 ILE . 19893 1 89 89 PHE . 19893 1 90 90 ASP . 19893 1 91 91 GLU . 19893 1 92 92 GLU . 19893 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 19893 1 . SER 2 2 19893 1 . ALA 3 3 19893 1 . MET 4 4 19893 1 . GLY 5 5 19893 1 . HIS 6 6 19893 1 . MET 7 7 19893 1 . PRO 8 8 19893 1 . ALA 9 9 19893 1 . VAL 10 10 19893 1 . ASP 11 11 19893 1 . VAL 12 12 19893 1 . GLU 13 13 19893 1 . ILE 14 14 19893 1 . HIS 15 15 19893 1 . PHE 16 16 19893 1 . PRO 17 17 19893 1 . LEU 18 18 19893 1 . LYS 19 19 19893 1 . ARG 20 20 19893 1 . ILE 21 21 19893 1 . ALA 22 22 19893 1 . ALA 23 23 19893 1 . GLU 24 24 19893 1 . GLY 25 25 19893 1 . TYR 26 26 19893 1 . ALA 27 27 19893 1 . GLU 28 28 19893 1 . ASP 29 29 19893 1 . GLU 30 30 19893 1 . LEU 31 31 19893 1 . LEU 32 32 19893 1 . LEU 33 33 19893 1 . ASN 34 34 19893 1 . GLN 35 35 19893 1 . MET 36 36 19893 1 . GLY 37 37 19893 1 . LYS 38 38 19893 1 . VAL 39 39 19893 1 . ASN 40 40 19893 1 . ASP 41 41 19893 1 . THR 42 42 19893 1 . PRO 43 43 19893 1 . GLU 44 44 19893 1 . GLU 45 45 19893 1 . GLU 46 46 19893 1 . GLY 47 47 19893 1 . MET 48 48 19893 1 . PRO 49 49 19893 1 . LEU 50 50 19893 1 . ARG 51 51 19893 1 . ALA 52 52 19893 1 . TRP 53 53 19893 1 . VAL 54 54 19893 1 . ILE 55 55 19893 1 . LYS 56 56 19893 1 . CYS 57 57 19893 1 . ALA 58 58 19893 1 . HIS 59 59 19893 1 . GLU 60 60 19893 1 . ALA 61 61 19893 1 . LEU 62 62 19893 1 . GLU 63 63 19893 1 . LYS 64 64 19893 1 . ASN 65 65 19893 1 . PRO 66 66 19893 1 . LYS 67 67 19893 1 . ILE 68 68 19893 1 . ARG 69 69 19893 1 . GLU 70 70 19893 1 . VAL 71 71 19893 1 . TYR 72 72 19893 1 . LEU 73 73 19893 1 . LYS 74 74 19893 1 . PRO 75 75 19893 1 . ARG 76 76 19893 1 . ALA 77 77 19893 1 . VAL 78 78 19893 1 . LYS 79 79 19893 1 . ASN 80 80 19893 1 . SER 81 81 19893 1 . SER 82 82 19893 1 . VAL 83 83 19893 1 . GLN 84 84 19893 1 . PHE 85 85 19893 1 . HIS 86 86 19893 1 . VAL 87 87 19893 1 . ILE 88 88 19893 1 . PHE 89 89 19893 1 . ASP 90 90 19893 1 . GLU 91 91 19893 1 . GLU 92 92 19893 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 19893 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $HP_Q4D059 . 5693 organism . 'Trypanosoma cruzi' kinetoplastids . . Eukaryota . Trypanosoma cruzi . . . . . . . . . . . . . . . . . . . . . 19893 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 19893 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $HP_Q4D059 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pGEX-4T2 . . . . . . 19893 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Q4D059_15N _Sample.Sf_category sample _Sample.Sf_framecode Q4D059_15N _Sample.Entry_ID 19893 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HP_Q4D059 '[U-100% 15N]' . . 1 $HP_Q4D059 . . 0.5 . . mM . . . . 19893 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19893 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19893 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19893 1 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19893 1 stop_ save_ save_Q4D059_15N_13C _Sample.Sf_category sample _Sample.Sf_framecode Q4D059_15N_13C _Sample.Entry_ID 19893 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HP_Q4D059 '[U-100% 13C; U-100% 15N]' . . 1 $HP_Q4D059 . . 0.3 . . mM . . . . 19893 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19893 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19893 2 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19893 2 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19893 2 stop_ save_ save_Q4D059_1H _Sample.Sf_category sample _Sample.Sf_framecode Q4D059_1H _Sample.Entry_ID 19893 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HP_Q4D059 'natural abundance' . . 1 $HP_Q4D059 . . 0.5 . . mM . . . . 19893 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19893 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19893 3 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19893 3 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19893 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 19893 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 19893 1 pH 6.5 . pH 19893 1 pressure 1 . atm 19893 1 temperature 298 . K 19893 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19893 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19893 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19893 1 'data analysis' 19893 1 'peak picking' 19893 1 stop_ save_ save_CNSSOLVE _Software.Sf_category software _Software.Sf_framecode CNSSOLVE _Software.Entry_ID 19893 _Software.ID 2 _Software.Name CNSSOLVE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19893 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19893 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19893 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19893 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19893 3 processing 19893 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 19893 _Software.ID 4 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 19893 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19893 4 'structure solution' 19893 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19893 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19893 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19893 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19893 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19893 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 19893 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 19893 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $Q4D059_15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19893 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $Q4D059_1H isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19893 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $Q4D059_1H isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19893 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $Q4D059_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19893 1 5 '3D HNCO' no . . . . . . . . . . 2 $Q4D059_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19893 1 6 '3D HNCACB' no . . . . . . . . . . 2 $Q4D059_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19893 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $Q4D059_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19893 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $Q4D059_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19893 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $Q4D059_15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19893 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $Q4D059_15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19893 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $Q4D059_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19893 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $Q4D059_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19893 1 13 '3D HCCH-COSY' no . . . . . . . . . . 2 $Q4D059_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19893 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 19893 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19893 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19893 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19893 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19893 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19893 1 2 '2D 1H-1H TOCSY' . . . 19893 1 4 '3D CBCA(CO)NH' . . . 19893 1 5 '3D HNCO' . . . 19893 1 6 '3D HNCACB' . . . 19893 1 7 '3D HBHA(CO)NH' . . . 19893 1 9 '3D 1H-15N NOESY' . . . 19893 1 10 '3D 1H-15N TOCSY' . . . 19893 1 11 '3D 1H-13C NOESY aliphatic' . . . 19893 1 12 '3D 1H-13C NOESY aromatic' . . . 19893 1 13 '3D HCCH-COSY' . . . 19893 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 8 8 PRO HA H 1 4.352 0.040 . 1 . . . A 8 PRO HA . 19893 1 2 . 1 1 8 8 PRO HB2 H 1 1.86 0.040 . 2 . . . A 8 PRO HB2 . 19893 1 3 . 1 1 8 8 PRO HB3 H 1 2.254 0.040 . 2 . . . A 8 PRO HB3 . 19893 1 4 . 1 1 8 8 PRO HG2 H 1 1.985 0.040 . 2 . . . A 8 PRO HG2 . 19893 1 5 . 1 1 8 8 PRO HG3 H 1 1.951 0.040 . 2 . . . A 8 PRO HG3 . 19893 1 6 . 1 1 8 8 PRO HD2 H 1 3.729 0.040 . 2 . . . A 8 PRO HD2 . 19893 1 7 . 1 1 8 8 PRO HD3 H 1 3.632 0.040 . 2 . . . A 8 PRO HD3 . 19893 1 8 . 1 1 8 8 PRO C C 13 176.467 0.500 . 1 . . . A 8 PRO C . 19893 1 9 . 1 1 8 8 PRO CA C 13 63.363 0.500 . 1 . . . A 8 PRO CA . 19893 1 10 . 1 1 8 8 PRO CB C 13 32.389 0.500 . 1 . . . A 8 PRO CB . 19893 1 11 . 1 1 8 8 PRO CG C 13 26.959 0.500 . 1 . . . A 8 PRO CG . 19893 1 12 . 1 1 8 8 PRO CD C 13 51.302 0.500 . 1 . . . A 8 PRO CD . 19893 1 13 . 1 1 9 9 ALA H H 1 8.301 0.040 . 1 . . . A 9 ALA H . 19893 1 14 . 1 1 9 9 ALA HA H 1 4.407 0.040 . 1 . . . A 9 ALA HA . 19893 1 15 . 1 1 9 9 ALA HB1 H 1 1.305 0.040 . 1 . . . A 9 ALA HB1 . 19893 1 16 . 1 1 9 9 ALA HB2 H 1 1.305 0.040 . 1 . . . A 9 ALA HB2 . 19893 1 17 . 1 1 9 9 ALA HB3 H 1 1.305 0.040 . 1 . . . A 9 ALA HB3 . 19893 1 18 . 1 1 9 9 ALA C C 13 177.826 0.500 . 1 . . . A 9 ALA C . 19893 1 19 . 1 1 9 9 ALA CA C 13 52.552 0.500 . 1 . . . A 9 ALA CA . 19893 1 20 . 1 1 9 9 ALA CB C 13 19.854 0.500 . 1 . . . A 9 ALA CB . 19893 1 21 . 1 1 9 9 ALA N N 15 124.419 0.500 . 1 . . . A 9 ALA N . 19893 1 22 . 1 1 10 10 VAL H H 1 8.095 0.040 . 1 . . . A 10 VAL H . 19893 1 23 . 1 1 10 10 VAL HA H 1 4.159 0.040 . 1 . . . A 10 VAL HA . 19893 1 24 . 1 1 10 10 VAL HB H 1 2.028 0.040 . 1 . . . A 10 VAL HB . 19893 1 25 . 1 1 10 10 VAL HG11 H 1 0.928 0.040 . 2 . . . A 10 VAL HG11 . 19893 1 26 . 1 1 10 10 VAL HG12 H 1 0.928 0.040 . 2 . . . A 10 VAL HG12 . 19893 1 27 . 1 1 10 10 VAL HG13 H 1 0.928 0.040 . 2 . . . A 10 VAL HG13 . 19893 1 28 . 1 1 10 10 VAL C C 13 175.233 0.500 . 1 . . . A 10 VAL C . 19893 1 29 . 1 1 10 10 VAL CA C 13 62.133 0.500 . 1 . . . A 10 VAL CA . 19893 1 30 . 1 1 10 10 VAL CB C 13 33.82 0.500 . 1 . . . A 10 VAL CB . 19893 1 31 . 1 1 10 10 VAL CG1 C 13 21.405 0.500 . 2 . . . A 10 VAL CG1 . 19893 1 32 . 1 1 10 10 VAL N N 15 120.778 0.500 . 1 . . . A 10 VAL N . 19893 1 33 . 1 1 11 11 ASP H H 1 8.285 0.040 . 1 . . . A 11 ASP H . 19893 1 34 . 1 1 11 11 ASP HA H 1 5.032 0.040 . 1 . . . A 11 ASP HA . 19893 1 35 . 1 1 11 11 ASP HB2 H 1 2.554 0.040 . 2 . . . A 11 ASP HB2 . 19893 1 36 . 1 1 11 11 ASP C C 13 176.892 0.500 . 1 . . . A 11 ASP C . 19893 1 37 . 1 1 11 11 ASP CA C 13 54.593 0.500 . 1 . . . A 11 ASP CA . 19893 1 38 . 1 1 11 11 ASP CB C 13 42.662 0.500 . 1 . . . A 11 ASP CB . 19893 1 39 . 1 1 11 11 ASP N N 15 125.133 0.500 . 1 . . . A 11 ASP N . 19893 1 40 . 1 1 12 12 VAL H H 1 8.615 0.040 . 1 . . . A 12 VAL H . 19893 1 41 . 1 1 12 12 VAL HA H 1 4.125 0.040 . 1 . . . A 12 VAL HA . 19893 1 42 . 1 1 12 12 VAL HB H 1 1.911 0.040 . 1 . . . A 12 VAL HB . 19893 1 43 . 1 1 12 12 VAL HG11 H 1 0.944 0.040 . 2 . . . A 12 VAL HG11 . 19893 1 44 . 1 1 12 12 VAL HG12 H 1 0.944 0.040 . 2 . . . A 12 VAL HG12 . 19893 1 45 . 1 1 12 12 VAL HG13 H 1 0.944 0.040 . 2 . . . A 12 VAL HG13 . 19893 1 46 . 1 1 12 12 VAL HG21 H 1 0.81 0.040 . 2 . . . A 12 VAL HG21 . 19893 1 47 . 1 1 12 12 VAL HG22 H 1 0.81 0.040 . 2 . . . A 12 VAL HG22 . 19893 1 48 . 1 1 12 12 VAL HG23 H 1 0.81 0.040 . 2 . . . A 12 VAL HG23 . 19893 1 49 . 1 1 12 12 VAL C C 13 175.226 0.500 . 1 . . . A 12 VAL C . 19893 1 50 . 1 1 12 12 VAL CA C 13 62.622 0.500 . 1 . . . A 12 VAL CA . 19893 1 51 . 1 1 12 12 VAL CB C 13 33.328 0.500 . 1 . . . A 12 VAL CB . 19893 1 52 . 1 1 12 12 VAL CG1 C 13 21.684 0.500 . 2 . . . A 12 VAL CG1 . 19893 1 53 . 1 1 12 12 VAL CG2 C 13 21.55 0.500 . 2 . . . A 12 VAL CG2 . 19893 1 54 . 1 1 12 12 VAL N N 15 124.553 0.500 . 1 . . . A 12 VAL N . 19893 1 55 . 1 1 13 13 GLU H H 1 8.796 0.040 . 1 . . . A 13 GLU H . 19893 1 56 . 1 1 13 13 GLU HA H 1 5.091 0.040 . 1 . . . A 13 GLU HA . 19893 1 57 . 1 1 13 13 GLU HB2 H 1 2.073 0.040 . 2 . . . A 13 GLU HB2 . 19893 1 58 . 1 1 13 13 GLU HG2 H 1 2.044 0.040 . 2 . . . A 13 GLU HG2 . 19893 1 59 . 1 1 13 13 GLU C C 13 175.853 0.500 . 1 . . . A 13 GLU C . 19893 1 60 . 1 1 13 13 GLU CA C 13 56.269 0.500 . 1 . . . A 13 GLU CA . 19893 1 61 . 1 1 13 13 GLU CB C 13 31.636 0.500 . 1 . . . A 13 GLU CB . 19893 1 62 . 1 1 13 13 GLU N N 15 130.776 0.500 . 1 . . . A 13 GLU N . 19893 1 63 . 1 1 14 14 ILE H H 1 8.602 0.040 . 1 . . . A 14 ILE H . 19893 1 64 . 1 1 14 14 ILE HA H 1 4.373 0.040 . 1 . . . A 14 ILE HA . 19893 1 65 . 1 1 14 14 ILE HB H 1 1.263 0.040 . 1 . . . A 14 ILE HB . 19893 1 66 . 1 1 14 14 ILE HG21 H 1 0.142 0.040 . 1 . . . A 14 ILE HG21 . 19893 1 67 . 1 1 14 14 ILE HG22 H 1 0.142 0.040 . 1 . . . A 14 ILE HG22 . 19893 1 68 . 1 1 14 14 ILE HG23 H 1 0.142 0.040 . 1 . . . A 14 ILE HG23 . 19893 1 69 . 1 1 14 14 ILE HD11 H 1 0.814 0.040 . 1 . . . A 14 ILE HD11 . 19893 1 70 . 1 1 14 14 ILE HD12 H 1 0.814 0.040 . 1 . . . A 14 ILE HD12 . 19893 1 71 . 1 1 14 14 ILE HD13 H 1 0.814 0.040 . 1 . . . A 14 ILE HD13 . 19893 1 72 . 1 1 14 14 ILE C C 13 174.048 0.500 . 1 . . . A 14 ILE C . 19893 1 73 . 1 1 14 14 ILE CA C 13 58.779 0.500 . 1 . . . A 14 ILE CA . 19893 1 74 . 1 1 14 14 ILE CB C 13 41.986 0.500 . 1 . . . A 14 ILE CB . 19893 1 75 . 1 1 14 14 ILE CG2 C 13 18.371 0.500 . 1 . . . A 14 ILE CG2 . 19893 1 76 . 1 1 14 14 ILE CD1 C 13 13.22 0.500 . 1 . . . A 14 ILE CD1 . 19893 1 77 . 1 1 14 14 ILE N N 15 128.969 0.500 . 1 . . . A 14 ILE N . 19893 1 78 . 1 1 15 15 HIS H H 1 8.926 0.040 . 1 . . . A 15 HIS H . 19893 1 79 . 1 1 15 15 HIS HA H 1 5.254 0.040 . 1 . . . A 15 HIS HA . 19893 1 80 . 1 1 15 15 HIS HB2 H 1 3.42 0.040 . 2 . . . A 15 HIS HB2 . 19893 1 81 . 1 1 15 15 HIS HB3 H 1 2.827 0.040 . 2 . . . A 15 HIS HB3 . 19893 1 82 . 1 1 15 15 HIS HD2 H 1 7.093 0.040 . 1 . . . A 15 HIS HD2 . 19893 1 83 . 1 1 15 15 HIS HE1 H 1 8.514 0.040 . 1 . . . A 15 HIS HE1 . 19893 1 84 . 1 1 15 15 HIS C C 13 174.83 0.500 . 1 . . . A 15 HIS C . 19893 1 85 . 1 1 15 15 HIS CA C 13 54.387 0.500 . 1 . . . A 15 HIS CA . 19893 1 86 . 1 1 15 15 HIS CB C 13 30.504 0.500 . 1 . . . A 15 HIS CB . 19893 1 87 . 1 1 15 15 HIS CD2 C 13 120.291 0.500 . 1 . . . A 15 HIS CD2 . 19893 1 88 . 1 1 15 15 HIS CE1 C 13 136.059 0.500 . 1 . . . A 15 HIS CE1 . 19893 1 89 . 1 1 15 15 HIS N N 15 124.354 0.500 . 1 . . . A 15 HIS N . 19893 1 90 . 1 1 16 16 PHE H H 1 8.758 0.040 . 1 . . . A 16 PHE H . 19893 1 91 . 1 1 16 16 PHE HA H 1 5.601 0.040 . 1 . . . A 16 PHE HA . 19893 1 92 . 1 1 16 16 PHE HB2 H 1 2.896 0.040 . 2 . . . A 16 PHE HB2 . 19893 1 93 . 1 1 16 16 PHE HB3 H 1 2.675 0.040 . 2 . . . A 16 PHE HB3 . 19893 1 94 . 1 1 16 16 PHE HD1 H 1 7.007 0.040 . 3 . . . A 16 PHE HD1 . 19893 1 95 . 1 1 16 16 PHE HE1 H 1 7.085 0.040 . 3 . . . A 16 PHE HE1 . 19893 1 96 . 1 1 16 16 PHE HZ H 1 7.201 0.040 . 1 . . . A 16 PHE HZ . 19893 1 97 . 1 1 16 16 PHE CA C 13 51.56 0.500 . 1 . . . A 16 PHE CA . 19893 1 98 . 1 1 16 16 PHE CB C 13 42.99 0.500 . 1 . . . A 16 PHE CB . 19893 1 99 . 1 1 16 16 PHE CD1 C 13 131.252 0.500 . 3 . . . A 16 PHE CD1 . 19893 1 100 . 1 1 16 16 PHE CE1 C 13 131.252 0.500 . 3 . . . A 16 PHE CE1 . 19893 1 101 . 1 1 16 16 PHE CZ C 13 132.514 0.500 . 1 . . . A 16 PHE CZ . 19893 1 102 . 1 1 16 16 PHE N N 15 117.887 0.500 . 1 . . . A 16 PHE N . 19893 1 103 . 1 1 17 17 PRO HA H 1 4.759 0.040 . 1 . . . A 17 PRO HA . 19893 1 104 . 1 1 17 17 PRO HB2 H 1 1.9 0.040 . 2 . . . A 17 PRO HB2 . 19893 1 105 . 1 1 17 17 PRO HB3 H 1 2.568 0.040 . 2 . . . A 17 PRO HB3 . 19893 1 106 . 1 1 17 17 PRO HG2 H 1 2.247 0.040 . 2 . . . A 17 PRO HG2 . 19893 1 107 . 1 1 17 17 PRO HG3 H 1 2.085 0.040 . 2 . . . A 17 PRO HG3 . 19893 1 108 . 1 1 17 17 PRO HD2 H 1 4.097 0.040 . 2 . . . A 17 PRO HD2 . 19893 1 109 . 1 1 17 17 PRO HD3 H 1 3.424 0.040 . 2 . . . A 17 PRO HD3 . 19893 1 110 . 1 1 17 17 PRO C C 13 178.833 0.500 . 1 . . . A 17 PRO C . 19893 1 111 . 1 1 17 17 PRO CA C 13 63.058 0.500 . 1 . . . A 17 PRO CA . 19893 1 112 . 1 1 17 17 PRO CB C 13 31.96 0.500 . 1 . . . A 17 PRO CB . 19893 1 113 . 1 1 17 17 PRO CG C 13 27.683 0.500 . 1 . . . A 17 PRO CG . 19893 1 114 . 1 1 17 17 PRO CD C 13 51.366 0.500 . 1 . . . A 17 PRO CD . 19893 1 115 . 1 1 18 18 LEU H H 1 9.189 0.040 . 1 . . . A 18 LEU H . 19893 1 116 . 1 1 18 18 LEU HA H 1 3.746 0.040 . 1 . . . A 18 LEU HA . 19893 1 117 . 1 1 18 18 LEU HB2 H 1 1.79 0.040 . 2 . . . A 18 LEU HB2 . 19893 1 118 . 1 1 18 18 LEU HB3 H 1 1.304 0.040 . 2 . . . A 18 LEU HB3 . 19893 1 119 . 1 1 18 18 LEU HG H 1 1.426 0.040 . 1 . . . A 18 LEU HG . 19893 1 120 . 1 1 18 18 LEU HD11 H 1 0.716 0.040 . 1 . . . A 18 LEU HD11 . 19893 1 121 . 1 1 18 18 LEU HD12 H 1 0.716 0.040 . 1 . . . A 18 LEU HD12 . 19893 1 122 . 1 1 18 18 LEU HD13 H 1 0.716 0.040 . 1 . . . A 18 LEU HD13 . 19893 1 123 . 1 1 18 18 LEU C C 13 177.657 0.500 . 1 . . . A 18 LEU C . 19893 1 124 . 1 1 18 18 LEU CA C 13 59.042 0.500 . 1 . . . A 18 LEU CA . 19893 1 125 . 1 1 18 18 LEU CB C 13 43.774 0.500 . 1 . . . A 18 LEU CB . 19893 1 126 . 1 1 18 18 LEU CG C 13 27.57 0.500 . 1 . . . A 18 LEU CG . 19893 1 127 . 1 1 18 18 LEU CD1 C 13 25.22 0.500 . 2 . . . A 18 LEU CD1 . 19893 1 128 . 1 1 18 18 LEU N N 15 131.092 0.500 . 1 . . . A 18 LEU N . 19893 1 129 . 1 1 19 19 LYS H H 1 8.967 0.040 . 1 . . . A 19 LYS H . 19893 1 130 . 1 1 19 19 LYS HA H 1 3.915 0.040 . 1 . . . A 19 LYS HA . 19893 1 131 . 1 1 19 19 LYS HB2 H 1 1.789 0.040 . 2 . . . A 19 LYS HB2 . 19893 1 132 . 1 1 19 19 LYS HG2 H 1 1.438 0.040 . 2 . . . A 19 LYS HG2 . 19893 1 133 . 1 1 19 19 LYS HD2 H 1 1.678 0.040 . 2 . . . A 19 LYS HD2 . 19893 1 134 . 1 1 19 19 LYS HE3 H 1 2.992 0.040 . 2 . . . A 19 LYS HE3 . 19893 1 135 . 1 1 19 19 LYS C C 13 179.58 0.500 . 1 . . . A 19 LYS C . 19893 1 136 . 1 1 19 19 LYS CA C 13 59.475 0.500 . 1 . . . A 19 LYS CA . 19893 1 137 . 1 1 19 19 LYS CB C 13 32.676 0.500 . 1 . . . A 19 LYS CB . 19893 1 138 . 1 1 19 19 LYS CG C 13 25.579 0.500 . 1 . . . A 19 LYS CG . 19893 1 139 . 1 1 19 19 LYS CD C 13 29.449 0.500 . 1 . . . A 19 LYS CD . 19893 1 140 . 1 1 19 19 LYS CE C 13 42.646 0.500 . 1 . . . A 19 LYS CE . 19893 1 141 . 1 1 19 19 LYS N N 15 113.358 0.500 . 1 . . . A 19 LYS N . 19893 1 142 . 1 1 20 20 ARG H H 1 7.118 0.040 . 1 . . . A 20 ARG H . 19893 1 143 . 1 1 20 20 ARG HA H 1 4.352 0.040 . 1 . . . A 20 ARG HA . 19893 1 144 . 1 1 20 20 ARG HB2 H 1 1.962 0.040 . 2 . . . A 20 ARG HB2 . 19893 1 145 . 1 1 20 20 ARG HB3 H 1 1.724 0.040 . 2 . . . A 20 ARG HB3 . 19893 1 146 . 1 1 20 20 ARG HG2 H 1 1.644 0.040 . 2 . . . A 20 ARG HG2 . 19893 1 147 . 1 1 20 20 ARG HD2 H 1 3.127 0.040 . 2 . . . A 20 ARG HD2 . 19893 1 148 . 1 1 20 20 ARG C C 13 179.148 0.500 . 1 . . . A 20 ARG C . 19893 1 149 . 1 1 20 20 ARG CA C 13 57.803 0.500 . 1 . . . A 20 ARG CA . 19893 1 150 . 1 1 20 20 ARG CB C 13 31.13 0.500 . 1 . . . A 20 ARG CB . 19893 1 151 . 1 1 20 20 ARG CD C 13 42.679 0.500 . 1 . . . A 20 ARG CD . 19893 1 152 . 1 1 20 20 ARG N N 15 113.649 0.500 . 1 . . . A 20 ARG N . 19893 1 153 . 1 1 21 21 ILE H H 1 7.752 0.040 . 1 . . . A 21 ILE H . 19893 1 154 . 1 1 21 21 ILE HA H 1 4.318 0.040 . 1 . . . A 21 ILE HA . 19893 1 155 . 1 1 21 21 ILE HB H 1 1.288 0.040 . 1 . . . A 21 ILE HB . 19893 1 156 . 1 1 21 21 ILE HG12 H 1 1.003 0.040 . 2 . . . A 21 ILE HG12 . 19893 1 157 . 1 1 21 21 ILE HG13 H 1 0.971 0.040 . 2 . . . A 21 ILE HG13 . 19893 1 158 . 1 1 21 21 ILE HG21 H 1 0.707 0.040 . 1 . . . A 21 ILE HG21 . 19893 1 159 . 1 1 21 21 ILE HG22 H 1 0.707 0.040 . 1 . . . A 21 ILE HG22 . 19893 1 160 . 1 1 21 21 ILE HG23 H 1 0.707 0.040 . 1 . . . A 21 ILE HG23 . 19893 1 161 . 1 1 21 21 ILE HD11 H 1 0.681 0.040 . 1 . . . A 21 ILE HD11 . 19893 1 162 . 1 1 21 21 ILE HD12 H 1 0.681 0.040 . 1 . . . A 21 ILE HD12 . 19893 1 163 . 1 1 21 21 ILE HD13 H 1 0.681 0.040 . 1 . . . A 21 ILE HD13 . 19893 1 164 . 1 1 21 21 ILE C C 13 175.336 0.500 . 1 . . . A 21 ILE C . 19893 1 165 . 1 1 21 21 ILE CA C 13 59.592 0.500 . 1 . . . A 21 ILE CA . 19893 1 166 . 1 1 21 21 ILE CB C 13 39.017 0.500 . 1 . . . A 21 ILE CB . 19893 1 167 . 1 1 21 21 ILE CG1 C 13 30.889 0.500 . 1 . . . A 21 ILE CG1 . 19893 1 168 . 1 1 21 21 ILE CG2 C 13 18.368 0.500 . 1 . . . A 21 ILE CG2 . 19893 1 169 . 1 1 21 21 ILE CD1 C 13 16.313 0.500 . 1 . . . A 21 ILE CD1 . 19893 1 170 . 1 1 21 21 ILE N N 15 117.305 0.500 . 1 . . . A 21 ILE N . 19893 1 171 . 1 1 22 22 ALA H H 1 7.759 0.040 . 1 . . . A 22 ALA H . 19893 1 172 . 1 1 22 22 ALA HA H 1 4.087 0.040 . 1 . . . A 22 ALA HA . 19893 1 173 . 1 1 22 22 ALA HB1 H 1 1.277 0.040 . 1 . . . A 22 ALA HB1 . 19893 1 174 . 1 1 22 22 ALA HB2 H 1 1.277 0.040 . 1 . . . A 22 ALA HB2 . 19893 1 175 . 1 1 22 22 ALA HB3 H 1 1.277 0.040 . 1 . . . A 22 ALA HB3 . 19893 1 176 . 1 1 22 22 ALA C C 13 177.701 0.500 . 1 . . . A 22 ALA C . 19893 1 177 . 1 1 22 22 ALA CA C 13 53.39 0.500 . 1 . . . A 22 ALA CA . 19893 1 178 . 1 1 22 22 ALA CB C 13 20.048 0.500 . 1 . . . A 22 ALA CB . 19893 1 179 . 1 1 22 22 ALA N N 15 123.637 0.500 . 1 . . . A 22 ALA N . 19893 1 180 . 1 1 23 23 ALA H H 1 6.732 0.040 . 1 . . . A 23 ALA H . 19893 1 181 . 1 1 23 23 ALA HA H 1 4.285 0.040 . 1 . . . A 23 ALA HA . 19893 1 182 . 1 1 23 23 ALA HB1 H 1 1.564 0.040 . 1 . . . A 23 ALA HB1 . 19893 1 183 . 1 1 23 23 ALA HB2 H 1 1.564 0.040 . 1 . . . A 23 ALA HB2 . 19893 1 184 . 1 1 23 23 ALA HB3 H 1 1.564 0.040 . 1 . . . A 23 ALA HB3 . 19893 1 185 . 1 1 23 23 ALA C C 13 178.285 0.500 . 1 . . . A 23 ALA C . 19893 1 186 . 1 1 23 23 ALA CA C 13 52.906 0.500 . 1 . . . A 23 ALA CA . 19893 1 187 . 1 1 23 23 ALA CB C 13 20.19 0.500 . 1 . . . A 23 ALA CB . 19893 1 188 . 1 1 23 23 ALA N N 15 120.182 0.500 . 1 . . . A 23 ALA N . 19893 1 189 . 1 1 24 24 GLU H H 1 8.83 0.040 . 1 . . . A 24 GLU H . 19893 1 190 . 1 1 24 24 GLU HA H 1 4.165 0.040 . 1 . . . A 24 GLU HA . 19893 1 191 . 1 1 24 24 GLU HB2 H 1 2.07 0.040 . 2 . . . A 24 GLU HB2 . 19893 1 192 . 1 1 24 24 GLU C C 13 179.026 0.500 . 1 . . . A 24 GLU C . 19893 1 193 . 1 1 24 24 GLU CA C 13 59.482 0.500 . 1 . . . A 24 GLU CA . 19893 1 194 . 1 1 24 24 GLU CB C 13 29.977 0.500 . 1 . . . A 24 GLU CB . 19893 1 195 . 1 1 24 24 GLU N N 15 119.837 0.500 . 1 . . . A 24 GLU N . 19893 1 196 . 1 1 25 25 GLY H H 1 8.425 0.040 . 1 . . . A 25 GLY H . 19893 1 197 . 1 1 25 25 GLY HA2 H 1 4.094 0.040 . 2 . . . A 25 GLY HA2 . 19893 1 198 . 1 1 25 25 GLY HA3 H 1 3.671 0.040 . 2 . . . A 25 GLY HA3 . 19893 1 199 . 1 1 25 25 GLY C C 13 176.338 0.500 . 1 . . . A 25 GLY C . 19893 1 200 . 1 1 25 25 GLY CA C 13 46.077 0.500 . 1 . . . A 25 GLY CA . 19893 1 201 . 1 1 25 25 GLY N N 15 107.505 0.500 . 1 . . . A 25 GLY N . 19893 1 202 . 1 1 26 26 TYR H H 1 7.262 0.040 . 1 . . . A 26 TYR H . 19893 1 203 . 1 1 26 26 TYR HA H 1 4.256 0.040 . 1 . . . A 26 TYR HA . 19893 1 204 . 1 1 26 26 TYR HB2 H 1 3.493 0.040 . 2 . . . A 26 TYR HB2 . 19893 1 205 . 1 1 26 26 TYR HB3 H 1 2.57 0.040 . 2 . . . A 26 TYR HB3 . 19893 1 206 . 1 1 26 26 TYR HD2 H 1 7.026 0.040 . 3 . . . A 26 TYR HD2 . 19893 1 207 . 1 1 26 26 TYR HE2 H 1 6.913 0.040 . 3 . . . A 26 TYR HE2 . 19893 1 208 . 1 1 26 26 TYR C C 13 176.005 0.500 . 1 . . . A 26 TYR C . 19893 1 209 . 1 1 26 26 TYR CA C 13 60.714 0.500 . 1 . . . A 26 TYR CA . 19893 1 210 . 1 1 26 26 TYR CB C 13 37.497 0.500 . 1 . . . A 26 TYR CB . 19893 1 211 . 1 1 26 26 TYR CD2 C 13 131.279 0.500 . 3 . . . A 26 TYR CD2 . 19893 1 212 . 1 1 26 26 TYR CE2 C 13 118.485 0.500 . 3 . . . A 26 TYR CE2 . 19893 1 213 . 1 1 26 26 TYR N N 15 119.505 0.500 . 1 . . . A 26 TYR N . 19893 1 214 . 1 1 27 27 ALA H H 1 6.867 0.040 . 1 . . . A 27 ALA H . 19893 1 215 . 1 1 27 27 ALA HA H 1 3.464 0.040 . 1 . . . A 27 ALA HA . 19893 1 216 . 1 1 27 27 ALA HB1 H 1 0.768 0.040 . 1 . . . A 27 ALA HB1 . 19893 1 217 . 1 1 27 27 ALA HB2 H 1 0.768 0.040 . 1 . . . A 27 ALA HB2 . 19893 1 218 . 1 1 27 27 ALA HB3 H 1 0.768 0.040 . 1 . . . A 27 ALA HB3 . 19893 1 219 . 1 1 27 27 ALA C C 13 178.55 0.500 . 1 . . . A 27 ALA C . 19893 1 220 . 1 1 27 27 ALA CA C 13 54.172 0.500 . 1 . . . A 27 ALA CA . 19893 1 221 . 1 1 27 27 ALA CB C 13 18.075 0.500 . 1 . . . A 27 ALA CB . 19893 1 222 . 1 1 27 27 ALA N N 15 122.574 0.500 . 1 . . . A 27 ALA N . 19893 1 223 . 1 1 28 28 GLU H H 1 7.285 0.040 . 1 . . . A 28 GLU H . 19893 1 224 . 1 1 28 28 GLU HA H 1 4.339 0.040 . 1 . . . A 28 GLU HA . 19893 1 225 . 1 1 28 28 GLU HB2 H 1 2.2 0.040 . 2 . . . A 28 GLU HB2 . 19893 1 226 . 1 1 28 28 GLU HB3 H 1 1.72 0.040 . 2 . . . A 28 GLU HB3 . 19893 1 227 . 1 1 28 28 GLU HG2 H 1 1.977 0.040 . 2 . . . A 28 GLU HG2 . 19893 1 228 . 1 1 28 28 GLU CA C 13 55.252 0.500 . 1 . . . A 28 GLU CA . 19893 1 229 . 1 1 28 28 GLU CB C 13 30.445 0.500 . 1 . . . A 28 GLU CB . 19893 1 230 . 1 1 28 28 GLU CG C 13 36.425 0.500 . 1 . . . A 28 GLU CG . 19893 1 231 . 1 1 28 28 GLU N N 15 114.244 0.500 . 1 . . . A 28 GLU N . 19893 1 232 . 1 1 29 29 ASP H H 1 7.083 0.040 . 1 . . . A 29 ASP H . 19893 1 233 . 1 1 29 29 ASP HA H 1 4.457 0.040 . 1 . . . A 29 ASP HA . 19893 1 234 . 1 1 29 29 ASP HB2 H 1 3.055 0.040 . 2 . . . A 29 ASP HB2 . 19893 1 235 . 1 1 29 29 ASP HB3 H 1 2.479 0.040 . 2 . . . A 29 ASP HB3 . 19893 1 236 . 1 1 29 29 ASP C C 13 177.771 0.500 . 1 . . . A 29 ASP C . 19893 1 237 . 1 1 29 29 ASP CA C 13 54.448 0.500 . 1 . . . A 29 ASP CA . 19893 1 238 . 1 1 29 29 ASP CB C 13 41.689 0.500 . 1 . . . A 29 ASP CB . 19893 1 239 . 1 1 29 29 ASP N N 15 120.177 0.500 . 1 . . . A 29 ASP N . 19893 1 240 . 1 1 30 30 GLU H H 1 9.081 0.040 . 1 . . . A 30 GLU H . 19893 1 241 . 1 1 30 30 GLU HA H 1 3.962 0.040 . 1 . . . A 30 GLU HA . 19893 1 242 . 1 1 30 30 GLU HB2 H 1 2.078 0.040 . 2 . . . A 30 GLU HB2 . 19893 1 243 . 1 1 30 30 GLU HG2 H 1 2.367 0.040 . 2 . . . A 30 GLU HG2 . 19893 1 244 . 1 1 30 30 GLU C C 13 178.184 0.500 . 1 . . . A 30 GLU C . 19893 1 245 . 1 1 30 30 GLU CA C 13 59.356 0.500 . 1 . . . A 30 GLU CA . 19893 1 246 . 1 1 30 30 GLU CB C 13 30.281 0.500 . 1 . . . A 30 GLU CB . 19893 1 247 . 1 1 30 30 GLU CG C 13 36.223 0.500 . 1 . . . A 30 GLU CG . 19893 1 248 . 1 1 30 30 GLU N N 15 129.724 0.500 . 1 . . . A 30 GLU N . 19893 1 249 . 1 1 31 31 LEU H H 1 8.323 0.040 . 1 . . . A 31 LEU H . 19893 1 250 . 1 1 31 31 LEU HA H 1 4.159 0.040 . 1 . . . A 31 LEU HA . 19893 1 251 . 1 1 31 31 LEU HB2 H 1 1.822 0.040 . 2 . . . A 31 LEU HB2 . 19893 1 252 . 1 1 31 31 LEU HB3 H 1 1.675 0.040 . 2 . . . A 31 LEU HB3 . 19893 1 253 . 1 1 31 31 LEU HG H 1 1.69 0.040 . 1 . . . A 31 LEU HG . 19893 1 254 . 1 1 31 31 LEU HD11 H 1 0.829 0.040 . 2 . . . A 31 LEU HD11 . 19893 1 255 . 1 1 31 31 LEU HD12 H 1 0.829 0.040 . 2 . . . A 31 LEU HD12 . 19893 1 256 . 1 1 31 31 LEU HD13 H 1 0.829 0.040 . 2 . . . A 31 LEU HD13 . 19893 1 257 . 1 1 31 31 LEU C C 13 180.91 0.500 . 1 . . . A 31 LEU C . 19893 1 258 . 1 1 31 31 LEU CA C 13 59.08 0.500 . 1 . . . A 31 LEU CA . 19893 1 259 . 1 1 31 31 LEU CB C 13 41.682 0.500 . 1 . . . A 31 LEU CB . 19893 1 260 . 1 1 31 31 LEU CG C 13 27.189 0.500 . 1 . . . A 31 LEU CG . 19893 1 261 . 1 1 31 31 LEU CD1 C 13 25.143 0.500 . 2 . . . A 31 LEU CD1 . 19893 1 262 . 1 1 31 31 LEU N N 15 120.99 0.500 . 1 . . . A 31 LEU N . 19893 1 263 . 1 1 32 32 LEU H H 1 7.225 0.040 . 1 . . . A 32 LEU H . 19893 1 264 . 1 1 32 32 LEU HA H 1 3.952 0.040 . 1 . . . A 32 LEU HA . 19893 1 265 . 1 1 32 32 LEU HB2 H 1 1.991 0.040 . 2 . . . A 32 LEU HB2 . 19893 1 266 . 1 1 32 32 LEU HB3 H 1 0.916 0.040 . 2 . . . A 32 LEU HB3 . 19893 1 267 . 1 1 32 32 LEU HG H 1 1.545 0.040 . 1 . . . A 32 LEU HG . 19893 1 268 . 1 1 32 32 LEU HD11 H 1 0.487 0.040 . 2 . . . A 32 LEU HD11 . 19893 1 269 . 1 1 32 32 LEU HD12 H 1 0.487 0.040 . 2 . . . A 32 LEU HD12 . 19893 1 270 . 1 1 32 32 LEU HD13 H 1 0.487 0.040 . 2 . . . A 32 LEU HD13 . 19893 1 271 . 1 1 32 32 LEU C C 13 179.086 0.500 . 1 . . . A 32 LEU C . 19893 1 272 . 1 1 32 32 LEU CA C 13 58.018 0.500 . 1 . . . A 32 LEU CA . 19893 1 273 . 1 1 32 32 LEU CB C 13 40.951 0.500 . 1 . . . A 32 LEU CB . 19893 1 274 . 1 1 32 32 LEU CD1 C 13 23.444 0.500 . 2 . . . A 32 LEU CD1 . 19893 1 275 . 1 1 32 32 LEU N N 15 116.856 0.500 . 1 . . . A 32 LEU N . 19893 1 276 . 1 1 33 33 LEU H H 1 6.943 0.040 . 1 . . . A 33 LEU H . 19893 1 277 . 1 1 33 33 LEU HA H 1 3.922 0.040 . 1 . . . A 33 LEU HA . 19893 1 278 . 1 1 33 33 LEU HB2 H 1 1.663 0.040 . 2 . . . A 33 LEU HB2 . 19893 1 279 . 1 1 33 33 LEU HB3 H 1 1.598 0.040 . 2 . . . A 33 LEU HB3 . 19893 1 280 . 1 1 33 33 LEU HG H 1 1.528 0.040 . 1 . . . A 33 LEU HG . 19893 1 281 . 1 1 33 33 LEU HD11 H 1 0.828 0.040 . 2 . . . A 33 LEU HD11 . 19893 1 282 . 1 1 33 33 LEU HD12 H 1 0.828 0.040 . 2 . . . A 33 LEU HD12 . 19893 1 283 . 1 1 33 33 LEU HD13 H 1 0.828 0.040 . 2 . . . A 33 LEU HD13 . 19893 1 284 . 1 1 33 33 LEU C C 13 181.207 0.500 . 1 . . . A 33 LEU C . 19893 1 285 . 1 1 33 33 LEU CA C 13 58.81 0.500 . 1 . . . A 33 LEU CA . 19893 1 286 . 1 1 33 33 LEU CB C 13 42.112 0.500 . 1 . . . A 33 LEU CB . 19893 1 287 . 1 1 33 33 LEU CG C 13 27.529 0.500 . 1 . . . A 33 LEU CG . 19893 1 288 . 1 1 33 33 LEU CD1 C 13 24.728 0.500 . 2 . . . A 33 LEU CD1 . 19893 1 289 . 1 1 33 33 LEU N N 15 117.769 0.500 . 1 . . . A 33 LEU N . 19893 1 290 . 1 1 34 34 ASN H H 1 8.32 0.040 . 1 . . . A 34 ASN H . 19893 1 291 . 1 1 34 34 ASN HA H 1 4.536 0.040 . 1 . . . A 34 ASN HA . 19893 1 292 . 1 1 34 34 ASN HB2 H 1 3.024 0.040 . 2 . . . A 34 ASN HB2 . 19893 1 293 . 1 1 34 34 ASN HD21 H 1 7.034 0.040 . 2 . . . A 34 ASN HD21 . 19893 1 294 . 1 1 34 34 ASN HD22 H 1 7.582 0.040 . 2 . . . A 34 ASN HD22 . 19893 1 295 . 1 1 34 34 ASN C C 13 178.881 0.500 . 1 . . . A 34 ASN C . 19893 1 296 . 1 1 34 34 ASN CA C 13 56.303 0.500 . 1 . . . A 34 ASN CA . 19893 1 297 . 1 1 34 34 ASN CB C 13 38.58 0.500 . 1 . . . A 34 ASN CB . 19893 1 298 . 1 1 34 34 ASN N N 15 118.848 0.500 . 1 . . . A 34 ASN N . 19893 1 299 . 1 1 34 34 ASN ND2 N 15 111.903 0.500 . 1 . . . A 34 ASN ND2 . 19893 1 300 . 1 1 35 35 GLN H H 1 8.053 0.040 . 1 . . . A 35 GLN H . 19893 1 301 . 1 1 35 35 GLN HA H 1 4.347 0.040 . 1 . . . A 35 GLN HA . 19893 1 302 . 1 1 35 35 GLN HB2 H 1 2.611 0.040 . 2 . . . A 35 GLN HB2 . 19893 1 303 . 1 1 35 35 GLN HG2 H 1 2.862 0.040 . 2 . . . A 35 GLN HG2 . 19893 1 304 . 1 1 35 35 GLN HE21 H 1 7.056 0.040 . 2 . . . A 35 GLN HE21 . 19893 1 305 . 1 1 35 35 GLN HE22 H 1 7.865 0.040 . 2 . . . A 35 GLN HE22 . 19893 1 306 . 1 1 35 35 GLN C C 13 177.483 0.500 . 1 . . . A 35 GLN C . 19893 1 307 . 1 1 35 35 GLN CA C 13 57.275 0.500 . 1 . . . A 35 GLN CA . 19893 1 308 . 1 1 35 35 GLN CB C 13 29.878 0.500 . 1 . . . A 35 GLN CB . 19893 1 309 . 1 1 35 35 GLN CG C 13 34.637 0.500 . 1 . . . A 35 GLN CG . 19893 1 310 . 1 1 35 35 GLN N N 15 118.808 0.500 . 1 . . . A 35 GLN N . 19893 1 311 . 1 1 35 35 GLN NE2 N 15 111.816 0.500 . 1 . . . A 35 GLN NE2 . 19893 1 312 . 1 1 36 36 MET H H 1 7.596 0.040 . 1 . . . A 36 MET H . 19893 1 313 . 1 1 36 36 MET HA H 1 4.718 0.040 . 1 . . . A 36 MET HA . 19893 1 314 . 1 1 36 36 MET HB2 H 1 2.319 0.040 . 2 . . . A 36 MET HB2 . 19893 1 315 . 1 1 36 36 MET HG2 H 1 2.797 0.040 . 2 . . . A 36 MET HG2 . 19893 1 316 . 1 1 36 36 MET HG3 H 1 2.631 0.040 . 2 . . . A 36 MET HG3 . 19893 1 317 . 1 1 36 36 MET HE1 H 1 1.946 0.040 . 1 . . . A 36 MET HE1 . 19893 1 318 . 1 1 36 36 MET HE2 H 1 1.946 0.040 . 1 . . . A 36 MET HE2 . 19893 1 319 . 1 1 36 36 MET HE3 H 1 1.946 0.040 . 1 . . . A 36 MET HE3 . 19893 1 320 . 1 1 36 36 MET C C 13 177.424 0.500 . 1 . . . A 36 MET C . 19893 1 321 . 1 1 36 36 MET CA C 13 54.879 0.500 . 1 . . . A 36 MET CA . 19893 1 322 . 1 1 36 36 MET CB C 13 31.263 0.500 . 1 . . . A 36 MET CB . 19893 1 323 . 1 1 36 36 MET CG C 13 32.076 0.500 . 1 . . . A 36 MET CG . 19893 1 324 . 1 1 36 36 MET CE C 13 16.7 0.500 . 1 . . . A 36 MET CE . 19893 1 325 . 1 1 36 36 MET N N 15 116.334 0.500 . 1 . . . A 36 MET N . 19893 1 326 . 1 1 37 37 GLY H H 1 7.827 0.040 . 1 . . . A 37 GLY H . 19893 1 327 . 1 1 37 37 GLY HA2 H 1 3.965 0.040 . 2 . . . A 37 GLY HA2 . 19893 1 328 . 1 1 37 37 GLY C C 13 175.666 0.500 . 1 . . . A 37 GLY C . 19893 1 329 . 1 1 37 37 GLY CA C 13 47.573 0.500 . 1 . . . A 37 GLY CA . 19893 1 330 . 1 1 37 37 GLY N N 15 106.238 0.500 . 1 . . . A 37 GLY N . 19893 1 331 . 1 1 38 38 LYS H H 1 8.543 0.040 . 1 . . . A 38 LYS H . 19893 1 332 . 1 1 38 38 LYS HA H 1 4.413 0.040 . 1 . . . A 38 LYS HA . 19893 1 333 . 1 1 38 38 LYS HB2 H 1 2.066 0.040 . 2 . . . A 38 LYS HB2 . 19893 1 334 . 1 1 38 38 LYS HB3 H 1 1.743 0.040 . 2 . . . A 38 LYS HB3 . 19893 1 335 . 1 1 38 38 LYS HE3 H 1 2.69 0.040 . 2 . . . A 38 LYS HE3 . 19893 1 336 . 1 1 38 38 LYS C C 13 176.395 0.500 . 1 . . . A 38 LYS C . 19893 1 337 . 1 1 38 38 LYS CA C 13 56.332 0.500 . 1 . . . A 38 LYS CA . 19893 1 338 . 1 1 38 38 LYS CB C 13 32.091 0.500 . 1 . . . A 38 LYS CB . 19893 1 339 . 1 1 38 38 LYS N N 15 120.688 0.500 . 1 . . . A 38 LYS N . 19893 1 340 . 1 1 39 39 VAL H H 1 7.711 0.040 . 1 . . . A 39 VAL H . 19893 1 341 . 1 1 39 39 VAL HA H 1 4.077 0.040 . 1 . . . A 39 VAL HA . 19893 1 342 . 1 1 39 39 VAL HB H 1 2.014 0.040 . 1 . . . A 39 VAL HB . 19893 1 343 . 1 1 39 39 VAL HG11 H 1 1.123 0.040 . 2 . . . A 39 VAL HG11 . 19893 1 344 . 1 1 39 39 VAL HG12 H 1 1.123 0.040 . 2 . . . A 39 VAL HG12 . 19893 1 345 . 1 1 39 39 VAL HG13 H 1 1.123 0.040 . 2 . . . A 39 VAL HG13 . 19893 1 346 . 1 1 39 39 VAL HG21 H 1 1.068 0.040 . 2 . . . A 39 VAL HG21 . 19893 1 347 . 1 1 39 39 VAL HG22 H 1 1.068 0.040 . 2 . . . A 39 VAL HG22 . 19893 1 348 . 1 1 39 39 VAL HG23 H 1 1.068 0.040 . 2 . . . A 39 VAL HG23 . 19893 1 349 . 1 1 39 39 VAL CA C 13 62.829 0.500 . 1 . . . A 39 VAL CA . 19893 1 350 . 1 1 39 39 VAL CB C 13 33.71 0.500 . 1 . . . A 39 VAL CB . 19893 1 351 . 1 1 39 39 VAL CG1 C 13 21.757 0.500 . 2 . . . A 39 VAL CG1 . 19893 1 352 . 1 1 39 39 VAL CG2 C 13 22.877 0.500 . 2 . . . A 39 VAL CG2 . 19893 1 353 . 1 1 39 39 VAL N N 15 123.143 0.500 . 1 . . . A 39 VAL N . 19893 1 354 . 1 1 40 40 ASN H H 1 8.692 0.040 . 1 . . . A 40 ASN H . 19893 1 355 . 1 1 40 40 ASN HA H 1 4.783 0.040 . 1 . . . A 40 ASN HA . 19893 1 356 . 1 1 40 40 ASN HB2 H 1 3.093 0.040 . 2 . . . A 40 ASN HB2 . 19893 1 357 . 1 1 40 40 ASN HB3 H 1 2.929 0.040 . 2 . . . A 40 ASN HB3 . 19893 1 358 . 1 1 40 40 ASN HD21 H 1 6.996 0.040 . 2 . . . A 40 ASN HD21 . 19893 1 359 . 1 1 40 40 ASN HD22 H 1 7.723 0.040 . 2 . . . A 40 ASN HD22 . 19893 1 360 . 1 1 40 40 ASN C C 13 174.87 0.500 . 1 . . . A 40 ASN C . 19893 1 361 . 1 1 40 40 ASN CA C 13 53.494 0.500 . 1 . . . A 40 ASN CA . 19893 1 362 . 1 1 40 40 ASN CB C 13 40.393 0.500 . 1 . . . A 40 ASN CB . 19893 1 363 . 1 1 40 40 ASN N N 15 125.464 0.500 . 1 . . . A 40 ASN N . 19893 1 364 . 1 1 40 40 ASN ND2 N 15 113.579 0.500 . 1 . . . A 40 ASN ND2 . 19893 1 365 . 1 1 41 41 ASP H H 1 8.403 0.040 . 1 . . . A 41 ASP H . 19893 1 366 . 1 1 41 41 ASP HA H 1 5.133 0.040 . 1 . . . A 41 ASP HA . 19893 1 367 . 1 1 41 41 ASP HB2 H 1 2.966 0.040 . 2 . . . A 41 ASP HB2 . 19893 1 368 . 1 1 41 41 ASP HB3 H 1 2.647 0.040 . 2 . . . A 41 ASP HB3 . 19893 1 369 . 1 1 41 41 ASP C C 13 177.048 0.500 . 1 . . . A 41 ASP C . 19893 1 370 . 1 1 41 41 ASP CA C 13 56.422 0.500 . 1 . . . A 41 ASP CA . 19893 1 371 . 1 1 41 41 ASP CB C 13 43.353 0.500 . 1 . . . A 41 ASP CB . 19893 1 372 . 1 1 41 41 ASP N N 15 116.195 0.500 . 1 . . . A 41 ASP N . 19893 1 373 . 1 1 42 42 THR H H 1 7.532 0.040 . 1 . . . A 42 THR H . 19893 1 374 . 1 1 42 42 THR HA H 1 4.646 0.040 . 1 . . . A 42 THR HA . 19893 1 375 . 1 1 42 42 THR HB H 1 4.146 0.040 . 1 . . . A 42 THR HB . 19893 1 376 . 1 1 42 42 THR HG21 H 1 1.175 0.040 . 1 . . . A 42 THR HG21 . 19893 1 377 . 1 1 42 42 THR HG22 H 1 1.175 0.040 . 1 . . . A 42 THR HG22 . 19893 1 378 . 1 1 42 42 THR HG23 H 1 1.175 0.040 . 1 . . . A 42 THR HG23 . 19893 1 379 . 1 1 42 42 THR CA C 13 57.844 0.500 . 1 . . . A 42 THR CA . 19893 1 380 . 1 1 42 42 THR CB C 13 70.269 0.500 . 1 . . . A 42 THR CB . 19893 1 381 . 1 1 42 42 THR CG2 C 13 22.313 0.500 . 1 . . . A 42 THR CG2 . 19893 1 382 . 1 1 42 42 THR N N 15 111.139 0.500 . 1 . . . A 42 THR N . 19893 1 383 . 1 1 43 43 PRO HA H 1 4.534 0.040 . 1 . . . A 43 PRO HA . 19893 1 384 . 1 1 43 43 PRO HB2 H 1 2.051 0.040 . 2 . . . A 43 PRO HB2 . 19893 1 385 . 1 1 43 43 PRO HB3 H 1 2.377 0.040 . 2 . . . A 43 PRO HB3 . 19893 1 386 . 1 1 43 43 PRO HG2 H 1 1.903 0.040 . 2 . . . A 43 PRO HG2 . 19893 1 387 . 1 1 43 43 PRO HG3 H 1 1.796 0.040 . 2 . . . A 43 PRO HG3 . 19893 1 388 . 1 1 43 43 PRO HD2 H 1 3.585 0.040 . 2 . . . A 43 PRO HD2 . 19893 1 389 . 1 1 43 43 PRO HD3 H 1 3.517 0.040 . 2 . . . A 43 PRO HD3 . 19893 1 390 . 1 1 43 43 PRO C C 13 175.55 0.500 . 1 . . . A 43 PRO C . 19893 1 391 . 1 1 43 43 PRO CA C 13 63.124 0.500 . 1 . . . A 43 PRO CA . 19893 1 392 . 1 1 43 43 PRO CB C 13 34.45 0.500 . 1 . . . A 43 PRO CB . 19893 1 393 . 1 1 43 43 PRO CG C 13 26.156 0.500 . 1 . . . A 43 PRO CG . 19893 1 394 . 1 1 43 43 PRO CD C 13 50.989 0.500 . 1 . . . A 43 PRO CD . 19893 1 395 . 1 1 44 44 GLU H H 1 8.515 0.040 . 1 . . . A 44 GLU H . 19893 1 396 . 1 1 44 44 GLU HA H 1 4.138 0.040 . 1 . . . A 44 GLU HA . 19893 1 397 . 1 1 44 44 GLU HB2 H 1 1.705 0.040 . 2 . . . A 44 GLU HB2 . 19893 1 398 . 1 1 44 44 GLU HB3 H 1 1.615 0.040 . 2 . . . A 44 GLU HB3 . 19893 1 399 . 1 1 44 44 GLU HG2 H 1 2.185 0.040 . 2 . . . A 44 GLU HG2 . 19893 1 400 . 1 1 44 44 GLU HG3 H 1 2.094 0.040 . 2 . . . A 44 GLU HG3 . 19893 1 401 . 1 1 44 44 GLU C C 13 176.266 0.500 . 1 . . . A 44 GLU C . 19893 1 402 . 1 1 44 44 GLU CA C 13 58.583 0.500 . 1 . . . A 44 GLU CA . 19893 1 403 . 1 1 44 44 GLU CB C 13 30.878 0.500 . 1 . . . A 44 GLU CB . 19893 1 404 . 1 1 44 44 GLU CG C 13 36.944 0.500 . 1 . . . A 44 GLU CG . 19893 1 405 . 1 1 44 44 GLU N N 15 121.809 0.500 . 1 . . . A 44 GLU N . 19893 1 406 . 1 1 45 45 GLU H H 1 8.406 0.040 . 1 . . . A 45 GLU H . 19893 1 407 . 1 1 45 45 GLU HA H 1 4.352 0.040 . 1 . . . A 45 GLU HA . 19893 1 408 . 1 1 45 45 GLU HB2 H 1 1.154 0.040 . 2 . . . A 45 GLU HB2 . 19893 1 409 . 1 1 45 45 GLU HB3 H 1 0.811 0.040 . 2 . . . A 45 GLU HB3 . 19893 1 410 . 1 1 45 45 GLU HG2 H 1 0.623 0.040 . 2 . . . A 45 GLU HG2 . 19893 1 411 . 1 1 45 45 GLU HG3 H 1 0.251 0.040 . 2 . . . A 45 GLU HG3 . 19893 1 412 . 1 1 45 45 GLU C C 13 175.468 0.500 . 1 . . . A 45 GLU C . 19893 1 413 . 1 1 45 45 GLU CA C 13 54.805 0.500 . 1 . . . A 45 GLU CA . 19893 1 414 . 1 1 45 45 GLU CB C 13 32.425 0.500 . 1 . . . A 45 GLU CB . 19893 1 415 . 1 1 45 45 GLU CG C 13 34.025 0.500 . 1 . . . A 45 GLU CG . 19893 1 416 . 1 1 45 45 GLU N N 15 122.167 0.500 . 1 . . . A 45 GLU N . 19893 1 417 . 1 1 46 46 GLU H H 1 8.729 0.040 . 1 . . . A 46 GLU H . 19893 1 418 . 1 1 46 46 GLU HA H 1 3.748 0.040 . 1 . . . A 46 GLU HA . 19893 1 419 . 1 1 46 46 GLU HB2 H 1 2.341 0.040 . 2 . . . A 46 GLU HB2 . 19893 1 420 . 1 1 46 46 GLU HB3 H 1 2.188 0.040 . 2 . . . A 46 GLU HB3 . 19893 1 421 . 1 1 46 46 GLU HG2 H 1 2.287 0.040 . 2 . . . A 46 GLU HG2 . 19893 1 422 . 1 1 46 46 GLU C C 13 177.108 0.500 . 1 . . . A 46 GLU C . 19893 1 423 . 1 1 46 46 GLU CA C 13 57.786 0.500 . 1 . . . A 46 GLU CA . 19893 1 424 . 1 1 46 46 GLU CB C 13 28.617 0.500 . 1 . . . A 46 GLU CB . 19893 1 425 . 1 1 46 46 GLU CG C 13 36.896 0.500 . 1 . . . A 46 GLU CG . 19893 1 426 . 1 1 46 46 GLU N N 15 123.1 0.500 . 1 . . . A 46 GLU N . 19893 1 427 . 1 1 47 47 GLY H H 1 8.513 0.040 . 1 . . . A 47 GLY H . 19893 1 428 . 1 1 47 47 GLY HA2 H 1 4.024 0.040 . 2 . . . A 47 GLY HA2 . 19893 1 429 . 1 1 47 47 GLY HA3 H 1 3.63 0.040 . 2 . . . A 47 GLY HA3 . 19893 1 430 . 1 1 47 47 GLY C C 13 174.278 0.500 . 1 . . . A 47 GLY C . 19893 1 431 . 1 1 47 47 GLY CA C 13 45.972 0.500 . 1 . . . A 47 GLY CA . 19893 1 432 . 1 1 47 47 GLY N N 15 102.684 0.500 . 1 . . . A 47 GLY N . 19893 1 433 . 1 1 48 48 MET H H 1 8.056 0.040 . 1 . . . A 48 MET H . 19893 1 434 . 1 1 48 48 MET HA H 1 5.004 0.040 . 1 . . . A 48 MET HA . 19893 1 435 . 1 1 48 48 MET HB2 H 1 2.328 0.040 . 2 . . . A 48 MET HB2 . 19893 1 436 . 1 1 48 48 MET HB3 H 1 2.219 0.040 . 2 . . . A 48 MET HB3 . 19893 1 437 . 1 1 48 48 MET HG2 H 1 2.761 0.040 . 2 . . . A 48 MET HG2 . 19893 1 438 . 1 1 48 48 MET HE1 H 1 2.153 0.040 . 1 . . . A 48 MET HE1 . 19893 1 439 . 1 1 48 48 MET HE2 H 1 2.153 0.040 . 1 . . . A 48 MET HE2 . 19893 1 440 . 1 1 48 48 MET HE3 H 1 2.153 0.040 . 1 . . . A 48 MET HE3 . 19893 1 441 . 1 1 48 48 MET CA C 13 53.307 0.500 . 1 . . . A 48 MET CA . 19893 1 442 . 1 1 48 48 MET CB C 13 35.537 0.500 . 1 . . . A 48 MET CB . 19893 1 443 . 1 1 48 48 MET CG C 13 32.109 0.500 . 1 . . . A 48 MET CG . 19893 1 444 . 1 1 48 48 MET CE C 13 17.216 0.500 . 1 . . . A 48 MET CE . 19893 1 445 . 1 1 48 48 MET N N 15 120.46 0.500 . 1 . . . A 48 MET N . 19893 1 446 . 1 1 49 49 PRO HG2 H 1 2.204 0.040 . 2 . . . A 49 PRO HG2 . 19893 1 447 . 1 1 49 49 PRO HG3 H 1 2.066 0.040 . 2 . . . A 49 PRO HG3 . 19893 1 448 . 1 1 49 49 PRO HD2 H 1 3.925 0.040 . 2 . . . A 49 PRO HD2 . 19893 1 449 . 1 1 49 49 PRO HD3 H 1 3.629 0.040 . 2 . . . A 49 PRO HD3 . 19893 1 450 . 1 1 49 49 PRO CG C 13 28.643 0.500 . 1 . . . A 49 PRO CG . 19893 1 451 . 1 1 49 49 PRO CD C 13 51.046 0.500 . 1 . . . A 49 PRO CD . 19893 1 452 . 1 1 50 50 LEU HA H 1 4.151 0.040 . 1 . . . A 50 LEU HA . 19893 1 453 . 1 1 50 50 LEU HB2 H 1 2.236 0.040 . 2 . . . A 50 LEU HB2 . 19893 1 454 . 1 1 50 50 LEU HB3 H 1 1.667 0.040 . 2 . . . A 50 LEU HB3 . 19893 1 455 . 1 1 50 50 LEU HG H 1 1.557 0.040 . 1 . . . A 50 LEU HG . 19893 1 456 . 1 1 50 50 LEU HD11 H 1 1.042 0.040 . 2 . . . A 50 LEU HD11 . 19893 1 457 . 1 1 50 50 LEU HD12 H 1 1.042 0.040 . 2 . . . A 50 LEU HD12 . 19893 1 458 . 1 1 50 50 LEU HD13 H 1 1.042 0.040 . 2 . . . A 50 LEU HD13 . 19893 1 459 . 1 1 50 50 LEU C C 13 179.381 0.500 . 1 . . . A 50 LEU C . 19893 1 460 . 1 1 50 50 LEU CA C 13 59.884 0.500 . 1 . . . A 50 LEU CA . 19893 1 461 . 1 1 50 50 LEU CB C 13 40.795 0.500 . 1 . . . A 50 LEU CB . 19893 1 462 . 1 1 50 50 LEU CG C 13 27.571 0.500 . 1 . . . A 50 LEU CG . 19893 1 463 . 1 1 50 50 LEU CD1 C 13 26.339 0.500 . 2 . . . A 50 LEU CD1 . 19893 1 464 . 1 1 51 51 ARG H H 1 8.076 0.040 . 1 . . . A 51 ARG H . 19893 1 465 . 1 1 51 51 ARG HA H 1 3.826 0.040 . 1 . . . A 51 ARG HA . 19893 1 466 . 1 1 51 51 ARG HB2 H 1 2.256 0.040 . 2 . . . A 51 ARG HB2 . 19893 1 467 . 1 1 51 51 ARG HB3 H 1 1.611 0.040 . 2 . . . A 51 ARG HB3 . 19893 1 468 . 1 1 51 51 ARG C C 13 178.376 0.500 . 1 . . . A 51 ARG C . 19893 1 469 . 1 1 51 51 ARG CA C 13 61.473 0.500 . 1 . . . A 51 ARG CA . 19893 1 470 . 1 1 51 51 ARG CB C 13 31.095 0.500 . 1 . . . A 51 ARG CB . 19893 1 471 . 1 1 51 51 ARG N N 15 113.058 0.500 . 1 . . . A 51 ARG N . 19893 1 472 . 1 1 52 52 ALA H H 1 7.095 0.040 . 1 . . . A 52 ALA H . 19893 1 473 . 1 1 52 52 ALA HA H 1 4.09 0.040 . 1 . . . A 52 ALA HA . 19893 1 474 . 1 1 52 52 ALA HB1 H 1 1.581 0.040 . 1 . . . A 52 ALA HB1 . 19893 1 475 . 1 1 52 52 ALA HB2 H 1 1.581 0.040 . 1 . . . A 52 ALA HB2 . 19893 1 476 . 1 1 52 52 ALA HB3 H 1 1.581 0.040 . 1 . . . A 52 ALA HB3 . 19893 1 477 . 1 1 52 52 ALA C C 13 180.673 0.500 . 1 . . . A 52 ALA C . 19893 1 478 . 1 1 52 52 ALA CA C 13 54.971 0.500 . 1 . . . A 52 ALA CA . 19893 1 479 . 1 1 52 52 ALA CB C 13 18.918 0.500 . 1 . . . A 52 ALA CB . 19893 1 480 . 1 1 52 52 ALA N N 15 118.144 0.500 . 1 . . . A 52 ALA N . 19893 1 481 . 1 1 53 53 TRP H H 1 8.608 0.040 . 1 . . . A 53 TRP H . 19893 1 482 . 1 1 53 53 TRP HA H 1 4.309 0.040 . 1 . . . A 53 TRP HA . 19893 1 483 . 1 1 53 53 TRP HB2 H 1 3.752 0.040 . 2 . . . A 53 TRP HB2 . 19893 1 484 . 1 1 53 53 TRP HD1 H 1 7.136 0.040 . 1 . . . A 53 TRP HD1 . 19893 1 485 . 1 1 53 53 TRP HE1 H 1 10.334 0.040 . 1 . . . A 53 TRP HE1 . 19893 1 486 . 1 1 53 53 TRP HE3 H 1 7.137 0.040 . 1 . . . A 53 TRP HE3 . 19893 1 487 . 1 1 53 53 TRP HZ2 H 1 7.504 0.040 . 1 . . . A 53 TRP HZ2 . 19893 1 488 . 1 1 53 53 TRP HZ3 H 1 6.966 0.040 . 1 . . . A 53 TRP HZ3 . 19893 1 489 . 1 1 53 53 TRP HH2 H 1 6.799 0.040 . 1 . . . A 53 TRP HH2 . 19893 1 490 . 1 1 53 53 TRP CA C 13 62.932 0.500 . 1 . . . A 53 TRP CA . 19893 1 491 . 1 1 53 53 TRP CB C 13 28.512 0.500 . 1 . . . A 53 TRP CB . 19893 1 492 . 1 1 53 53 TRP CD1 C 13 127.279 0.500 . 1 . . . A 53 TRP CD1 . 19893 1 493 . 1 1 53 53 TRP CE3 C 13 122.538 0.500 . 1 . . . A 53 TRP CE3 . 19893 1 494 . 1 1 53 53 TRP CZ2 C 13 116.517 0.500 . 1 . . . A 53 TRP CZ2 . 19893 1 495 . 1 1 53 53 TRP CZ3 C 13 123.655 0.500 . 1 . . . A 53 TRP CZ3 . 19893 1 496 . 1 1 53 53 TRP CH2 C 13 123.134 0.500 . 1 . . . A 53 TRP CH2 . 19893 1 497 . 1 1 53 53 TRP N N 15 121.809 0.500 . 1 . . . A 53 TRP N . 19893 1 498 . 1 1 53 53 TRP NE1 N 15 132.105 0.500 . 1 . . . A 53 TRP NE1 . 19893 1 499 . 1 1 54 54 VAL H H 1 8.352 0.040 . 1 . . . A 54 VAL H . 19893 1 500 . 1 1 54 54 VAL HA H 1 2.844 0.040 . 1 . . . A 54 VAL HA . 19893 1 501 . 1 1 54 54 VAL HB H 1 2.121 0.040 . 1 . . . A 54 VAL HB . 19893 1 502 . 1 1 54 54 VAL HG11 H 1 0.581 0.040 . 2 . . . A 54 VAL HG11 . 19893 1 503 . 1 1 54 54 VAL HG12 H 1 0.581 0.040 . 2 . . . A 54 VAL HG12 . 19893 1 504 . 1 1 54 54 VAL HG13 H 1 0.581 0.040 . 2 . . . A 54 VAL HG13 . 19893 1 505 . 1 1 54 54 VAL HG21 H 1 0.51 0.040 . 2 . . . A 54 VAL HG21 . 19893 1 506 . 1 1 54 54 VAL HG22 H 1 0.51 0.040 . 2 . . . A 54 VAL HG22 . 19893 1 507 . 1 1 54 54 VAL HG23 H 1 0.51 0.040 . 2 . . . A 54 VAL HG23 . 19893 1 508 . 1 1 54 54 VAL C C 13 177.917 0.500 . 1 . . . A 54 VAL C . 19893 1 509 . 1 1 54 54 VAL CA C 13 67.434 0.500 . 1 . . . A 54 VAL CA . 19893 1 510 . 1 1 54 54 VAL CB C 13 31.517 0.500 . 1 . . . A 54 VAL CB . 19893 1 511 . 1 1 54 54 VAL CG1 C 13 21.627 0.500 . 2 . . . A 54 VAL CG1 . 19893 1 512 . 1 1 54 54 VAL CG2 C 13 23.015 0.500 . 2 . . . A 54 VAL CG2 . 19893 1 513 . 1 1 54 54 VAL N N 15 120.508 0.500 . 1 . . . A 54 VAL N . 19893 1 514 . 1 1 55 55 ILE H H 1 7.574 0.040 . 1 . . . A 55 ILE H . 19893 1 515 . 1 1 55 55 ILE HA H 1 3.327 0.040 . 1 . . . A 55 ILE HA . 19893 1 516 . 1 1 55 55 ILE HB H 1 1.728 0.040 . 1 . . . A 55 ILE HB . 19893 1 517 . 1 1 55 55 ILE HG12 H 1 1.874 0.040 . 2 . . . A 55 ILE HG12 . 19893 1 518 . 1 1 55 55 ILE HG13 H 1 0.645 0.040 . 2 . . . A 55 ILE HG13 . 19893 1 519 . 1 1 55 55 ILE HG21 H 1 0.838 0.040 . 1 . . . A 55 ILE HG21 . 19893 1 520 . 1 1 55 55 ILE HG22 H 1 0.838 0.040 . 1 . . . A 55 ILE HG22 . 19893 1 521 . 1 1 55 55 ILE HG23 H 1 0.838 0.040 . 1 . . . A 55 ILE HG23 . 19893 1 522 . 1 1 55 55 ILE HD11 H 1 0.714 0.040 . 1 . . . A 55 ILE HD11 . 19893 1 523 . 1 1 55 55 ILE HD12 H 1 0.714 0.040 . 1 . . . A 55 ILE HD12 . 19893 1 524 . 1 1 55 55 ILE HD13 H 1 0.714 0.040 . 1 . . . A 55 ILE HD13 . 19893 1 525 . 1 1 55 55 ILE CA C 13 66.79 0.500 . 1 . . . A 55 ILE CA . 19893 1 526 . 1 1 55 55 ILE CB C 13 39.269 0.500 . 1 . . . A 55 ILE CB . 19893 1 527 . 1 1 55 55 ILE CG1 C 13 31.754 0.500 . 1 . . . A 55 ILE CG1 . 19893 1 528 . 1 1 55 55 ILE CG2 C 13 18.448 0.500 . 1 . . . A 55 ILE CG2 . 19893 1 529 . 1 1 55 55 ILE CD1 C 13 14.544 0.500 . 1 . . . A 55 ILE CD1 . 19893 1 530 . 1 1 55 55 ILE N N 15 118.131 0.500 . 1 . . . A 55 ILE N . 19893 1 531 . 1 1 56 56 LYS H H 1 8.354 0.040 . 1 . . . A 56 LYS H . 19893 1 532 . 1 1 56 56 LYS HA H 1 4.052 0.040 . 1 . . . A 56 LYS HA . 19893 1 533 . 1 1 56 56 LYS HB2 H 1 2.036 0.040 . 2 . . . A 56 LYS HB2 . 19893 1 534 . 1 1 56 56 LYS C C 13 179.574 0.500 . 1 . . . A 56 LYS C . 19893 1 535 . 1 1 56 56 LYS CA C 13 60.575 0.500 . 1 . . . A 56 LYS CA . 19893 1 536 . 1 1 56 56 LYS CB C 13 33.131 0.500 . 1 . . . A 56 LYS CB . 19893 1 537 . 1 1 56 56 LYS N N 15 120.517 0.500 . 1 . . . A 56 LYS N . 19893 1 538 . 1 1 57 57 CYS H H 1 8.501 0.040 . 1 . . . A 57 CYS H . 19893 1 539 . 1 1 57 57 CYS HA H 1 3.914 0.040 . 1 . . . A 57 CYS HA . 19893 1 540 . 1 1 57 57 CYS HB2 H 1 2.264 0.040 . 2 . . . A 57 CYS HB2 . 19893 1 541 . 1 1 57 57 CYS C C 13 178.985 0.500 . 1 . . . A 57 CYS C . 19893 1 542 . 1 1 57 57 CYS CA C 13 63.432 0.500 . 1 . . . A 57 CYS CA . 19893 1 543 . 1 1 57 57 CYS CB C 13 27.589 0.500 . 1 . . . A 57 CYS CB . 19893 1 544 . 1 1 57 57 CYS N N 15 116.239 0.500 . 1 . . . A 57 CYS N . 19893 1 545 . 1 1 58 58 ALA H H 1 8.605 0.040 . 1 . . . A 58 ALA H . 19893 1 546 . 1 1 58 58 ALA HA H 1 4.035 0.040 . 1 . . . A 58 ALA HA . 19893 1 547 . 1 1 58 58 ALA HB1 H 1 1.612 0.040 . 1 . . . A 58 ALA HB1 . 19893 1 548 . 1 1 58 58 ALA HB2 H 1 1.612 0.040 . 1 . . . A 58 ALA HB2 . 19893 1 549 . 1 1 58 58 ALA HB3 H 1 1.612 0.040 . 1 . . . A 58 ALA HB3 . 19893 1 550 . 1 1 58 58 ALA C C 13 177.753 0.500 . 1 . . . A 58 ALA C . 19893 1 551 . 1 1 58 58 ALA CA C 13 56.077 0.500 . 1 . . . A 58 ALA CA . 19893 1 552 . 1 1 58 58 ALA CB C 13 18.229 0.500 . 1 . . . A 58 ALA CB . 19893 1 553 . 1 1 58 58 ALA N N 15 123.819 0.500 . 1 . . . A 58 ALA N . 19893 1 554 . 1 1 59 59 HIS H H 1 8.132 0.040 . 1 . . . A 59 HIS H . 19893 1 555 . 1 1 59 59 HIS HA H 1 3.515 0.040 . 1 . . . A 59 HIS HA . 19893 1 556 . 1 1 59 59 HIS HB2 H 1 2.756 0.040 . 2 . . . A 59 HIS HB2 . 19893 1 557 . 1 1 59 59 HIS HB3 H 1 2.137 0.040 . 2 . . . A 59 HIS HB3 . 19893 1 558 . 1 1 59 59 HIS HD2 H 1 6.834 0.040 . 1 . . . A 59 HIS HD2 . 19893 1 559 . 1 1 59 59 HIS HE1 H 1 7.995 0.040 . 1 . . . A 59 HIS HE1 . 19893 1 560 . 1 1 59 59 HIS C C 13 177.271 0.500 . 1 . . . A 59 HIS C . 19893 1 561 . 1 1 59 59 HIS CA C 13 60.7 0.500 . 1 . . . A 59 HIS CA . 19893 1 562 . 1 1 59 59 HIS CB C 13 27.791 0.500 . 1 . . . A 59 HIS CB . 19893 1 563 . 1 1 59 59 HIS CD2 C 13 120.646 0.500 . 1 . . . A 59 HIS CD2 . 19893 1 564 . 1 1 59 59 HIS CE1 C 13 136.182 0.500 . 1 . . . A 59 HIS CE1 . 19893 1 565 . 1 1 59 59 HIS N N 15 115.595 0.500 . 1 . . . A 59 HIS N . 19893 1 566 . 1 1 60 60 GLU H H 1 8.623 0.040 . 1 . . . A 60 GLU H . 19893 1 567 . 1 1 60 60 GLU HA H 1 3.774 0.040 . 1 . . . A 60 GLU HA . 19893 1 568 . 1 1 60 60 GLU HB2 H 1 2.005 0.040 . 2 . . . A 60 GLU HB2 . 19893 1 569 . 1 1 60 60 GLU HG2 H 1 2.601 0.040 . 2 . . . A 60 GLU HG2 . 19893 1 570 . 1 1 60 60 GLU C C 13 179.157 0.500 . 1 . . . A 60 GLU C . 19893 1 571 . 1 1 60 60 GLU CA C 13 59.774 0.500 . 1 . . . A 60 GLU CA . 19893 1 572 . 1 1 60 60 GLU CB C 13 29.897 0.500 . 1 . . . A 60 GLU CB . 19893 1 573 . 1 1 60 60 GLU CG C 13 37.693 0.500 . 1 . . . A 60 GLU CG . 19893 1 574 . 1 1 60 60 GLU N N 15 117.847 0.500 . 1 . . . A 60 GLU N . 19893 1 575 . 1 1 61 61 ALA H H 1 7.891 0.040 . 1 . . . A 61 ALA H . 19893 1 576 . 1 1 61 61 ALA HA H 1 4.063 0.040 . 1 . . . A 61 ALA HA . 19893 1 577 . 1 1 61 61 ALA HB1 H 1 1.51 0.040 . 1 . . . A 61 ALA HB1 . 19893 1 578 . 1 1 61 61 ALA HB2 H 1 1.51 0.040 . 1 . . . A 61 ALA HB2 . 19893 1 579 . 1 1 61 61 ALA HB3 H 1 1.51 0.040 . 1 . . . A 61 ALA HB3 . 19893 1 580 . 1 1 61 61 ALA CA C 13 55.334 0.500 . 1 . . . A 61 ALA CA . 19893 1 581 . 1 1 61 61 ALA CB C 13 18.359 0.500 . 1 . . . A 61 ALA CB . 19893 1 582 . 1 1 61 61 ALA N N 15 122.193 0.500 . 1 . . . A 61 ALA N . 19893 1 583 . 1 1 62 62 LEU H H 1 7.08 0.040 . 1 . . . A 62 LEU H . 19893 1 584 . 1 1 62 62 LEU HA H 1 3.961 0.040 . 1 . . . A 62 LEU HA . 19893 1 585 . 1 1 62 62 LEU HB2 H 1 1.242 0.040 . 2 . . . A 62 LEU HB2 . 19893 1 586 . 1 1 62 62 LEU HB3 H 1 1.187 0.040 . 2 . . . A 62 LEU HB3 . 19893 1 587 . 1 1 62 62 LEU HG H 1 1.14 0.040 . 1 . . . A 62 LEU HG . 19893 1 588 . 1 1 62 62 LEU HD11 H 1 0.388 0.040 . 2 . . . A 62 LEU HD11 . 19893 1 589 . 1 1 62 62 LEU HD12 H 1 0.388 0.040 . 2 . . . A 62 LEU HD12 . 19893 1 590 . 1 1 62 62 LEU HD13 H 1 0.388 0.040 . 2 . . . A 62 LEU HD13 . 19893 1 591 . 1 1 62 62 LEU HD21 H 1 0.298 0.040 . 2 . . . A 62 LEU HD21 . 19893 1 592 . 1 1 62 62 LEU HD22 H 1 0.298 0.040 . 2 . . . A 62 LEU HD22 . 19893 1 593 . 1 1 62 62 LEU HD23 H 1 0.298 0.040 . 2 . . . A 62 LEU HD23 . 19893 1 594 . 1 1 62 62 LEU C C 13 178.813 0.500 . 1 . . . A 62 LEU C . 19893 1 595 . 1 1 62 62 LEU CA C 13 56.519 0.500 . 1 . . . A 62 LEU CA . 19893 1 596 . 1 1 62 62 LEU CB C 13 42.684 0.500 . 1 . . . A 62 LEU CB . 19893 1 597 . 1 1 62 62 LEU CG C 13 27.154 0.500 . 1 . . . A 62 LEU CG . 19893 1 598 . 1 1 62 62 LEU CD1 C 13 25.794 0.500 . 2 . . . A 62 LEU CD1 . 19893 1 599 . 1 1 62 62 LEU CD2 C 13 25.25 0.500 . 2 . . . A 62 LEU CD2 . 19893 1 600 . 1 1 62 62 LEU N N 15 120.135 0.500 . 1 . . . A 62 LEU N . 19893 1 601 . 1 1 63 63 GLU H H 1 7.594 0.040 . 1 . . . A 63 GLU H . 19893 1 602 . 1 1 63 63 GLU HA H 1 3.706 0.040 . 1 . . . A 63 GLU HA . 19893 1 603 . 1 1 63 63 GLU HB2 H 1 1.801 0.040 . 2 . . . A 63 GLU HB2 . 19893 1 604 . 1 1 63 63 GLU HG2 H 1 2.016 0.040 . 2 . . . A 63 GLU HG2 . 19893 1 605 . 1 1 63 63 GLU C C 13 179.261 0.500 . 1 . . . A 63 GLU C . 19893 1 606 . 1 1 63 63 GLU CA C 13 59.196 0.500 . 1 . . . A 63 GLU CA . 19893 1 607 . 1 1 63 63 GLU CB C 13 30.065 0.500 . 1 . . . A 63 GLU CB . 19893 1 608 . 1 1 63 63 GLU CG C 13 36.961 0.500 . 1 . . . A 63 GLU CG . 19893 1 609 . 1 1 63 63 GLU N N 15 118.288 0.500 . 1 . . . A 63 GLU N . 19893 1 610 . 1 1 64 64 LYS H H 1 7.342 0.040 . 1 . . . A 64 LYS H . 19893 1 611 . 1 1 64 64 LYS HA H 1 4.077 0.040 . 1 . . . A 64 LYS HA . 19893 1 612 . 1 1 64 64 LYS HB2 H 1 1.851 0.040 . 2 . . . A 64 LYS HB2 . 19893 1 613 . 1 1 64 64 LYS C C 13 177.763 0.500 . 1 . . . A 64 LYS C . 19893 1 614 . 1 1 64 64 LYS N N 15 116.167 0.500 . 1 . . . A 64 LYS N . 19893 1 615 . 1 1 65 65 ASN H H 1 7.48 0.040 . 1 . . . A 65 ASN H . 19893 1 616 . 1 1 65 65 ASN HA H 1 4.955 0.040 . 1 . . . A 65 ASN HA . 19893 1 617 . 1 1 65 65 ASN HB2 H 1 3.056 0.040 . 2 . . . A 65 ASN HB2 . 19893 1 618 . 1 1 65 65 ASN HB3 H 1 2.756 0.040 . 2 . . . A 65 ASN HB3 . 19893 1 619 . 1 1 65 65 ASN HD21 H 1 7.06 0.040 . 2 . . . A 65 ASN HD21 . 19893 1 620 . 1 1 65 65 ASN HD22 H 1 7.733 0.040 . 2 . . . A 65 ASN HD22 . 19893 1 621 . 1 1 65 65 ASN CA C 13 50.853 0.500 . 1 . . . A 65 ASN CA . 19893 1 622 . 1 1 65 65 ASN CB C 13 39.463 0.500 . 1 . . . A 65 ASN CB . 19893 1 623 . 1 1 65 65 ASN N N 15 113.899 0.500 . 1 . . . A 65 ASN N . 19893 1 624 . 1 1 65 65 ASN ND2 N 15 111.997 0.500 . 1 . . . A 65 ASN ND2 . 19893 1 625 . 1 1 66 66 PRO HA H 1 4.595 0.040 . 1 . . . A 66 PRO HA . 19893 1 626 . 1 1 66 66 PRO HB2 H 1 1.914 0.040 . 2 . . . A 66 PRO HB2 . 19893 1 627 . 1 1 66 66 PRO HB3 H 1 2.383 0.040 . 2 . . . A 66 PRO HB3 . 19893 1 628 . 1 1 66 66 PRO HG2 H 1 2.019 0.040 . 2 . . . A 66 PRO HG2 . 19893 1 629 . 1 1 66 66 PRO HG3 H 1 1.935 0.040 . 2 . . . A 66 PRO HG3 . 19893 1 630 . 1 1 66 66 PRO HD2 H 1 3.737 0.040 . 2 . . . A 66 PRO HD2 . 19893 1 631 . 1 1 66 66 PRO HD3 H 1 3.456 0.040 . 2 . . . A 66 PRO HD3 . 19893 1 632 . 1 1 66 66 PRO C C 13 177.769 0.500 . 1 . . . A 66 PRO C . 19893 1 633 . 1 1 66 66 PRO CA C 13 64.477 0.500 . 1 . . . A 66 PRO CA . 19893 1 634 . 1 1 66 66 PRO CB C 13 32.84 0.500 . 1 . . . A 66 PRO CB . 19893 1 635 . 1 1 66 66 PRO CG C 13 27.423 0.500 . 1 . . . A 66 PRO CG . 19893 1 636 . 1 1 66 66 PRO CD C 13 50.942 0.500 . 1 . . . A 66 PRO CD . 19893 1 637 . 1 1 67 67 LYS H H 1 7.611 0.040 . 1 . . . A 67 LYS H . 19893 1 638 . 1 1 67 67 LYS HA H 1 4.264 0.040 . 1 . . . A 67 LYS HA . 19893 1 639 . 1 1 67 67 LYS HB2 H 1 1.941 0.040 . 2 . . . A 67 LYS HB2 . 19893 1 640 . 1 1 67 67 LYS HB3 H 1 1.823 0.040 . 2 . . . A 67 LYS HB3 . 19893 1 641 . 1 1 67 67 LYS HG2 H 1 1.406 0.040 . 2 . . . A 67 LYS HG2 . 19893 1 642 . 1 1 67 67 LYS HG3 H 1 1.482 0.040 . 2 . . . A 67 LYS HG3 . 19893 1 643 . 1 1 67 67 LYS HD2 H 1 1.669 0.040 . 2 . . . A 67 LYS HD2 . 19893 1 644 . 1 1 67 67 LYS HE3 H 1 2.995 0.040 . 2 . . . A 67 LYS HE3 . 19893 1 645 . 1 1 67 67 LYS C C 13 178.271 0.500 . 1 . . . A 67 LYS C . 19893 1 646 . 1 1 67 67 LYS CA C 13 55.906 0.500 . 1 . . . A 67 LYS CA . 19893 1 647 . 1 1 67 67 LYS CB C 13 33.131 0.500 . 1 . . . A 67 LYS CB . 19893 1 648 . 1 1 67 67 LYS CG C 13 24.641 0.500 . 1 . . . A 67 LYS CG . 19893 1 649 . 1 1 67 67 LYS CD C 13 29.466 0.500 . 1 . . . A 67 LYS CD . 19893 1 650 . 1 1 67 67 LYS CE C 13 41.869 0.500 . 1 . . . A 67 LYS CE . 19893 1 651 . 1 1 67 67 LYS N N 15 115.189 0.500 . 1 . . . A 67 LYS N . 19893 1 652 . 1 1 68 68 ILE H H 1 7.662 0.040 . 1 . . . A 68 ILE H . 19893 1 653 . 1 1 68 68 ILE HA H 1 4.17 0.040 . 1 . . . A 68 ILE HA . 19893 1 654 . 1 1 68 68 ILE HB H 1 2.061 0.040 . 1 . . . A 68 ILE HB . 19893 1 655 . 1 1 68 68 ILE HG12 H 1 1.738 0.040 . 2 . . . A 68 ILE HG12 . 19893 1 656 . 1 1 68 68 ILE HG13 H 1 1.484 0.040 . 2 . . . A 68 ILE HG13 . 19893 1 657 . 1 1 68 68 ILE HG21 H 1 1.042 0.040 . 1 . . . A 68 ILE HG21 . 19893 1 658 . 1 1 68 68 ILE HG22 H 1 1.042 0.040 . 1 . . . A 68 ILE HG22 . 19893 1 659 . 1 1 68 68 ILE HG23 H 1 1.042 0.040 . 1 . . . A 68 ILE HG23 . 19893 1 660 . 1 1 68 68 ILE HD11 H 1 0.909 0.040 . 1 . . . A 68 ILE HD11 . 19893 1 661 . 1 1 68 68 ILE HD12 H 1 0.909 0.040 . 1 . . . A 68 ILE HD12 . 19893 1 662 . 1 1 68 68 ILE HD13 H 1 0.909 0.040 . 1 . . . A 68 ILE HD13 . 19893 1 663 . 1 1 68 68 ILE C C 13 177.006 0.500 . 1 . . . A 68 ILE C . 19893 1 664 . 1 1 68 68 ILE CA C 13 63.373 0.500 . 1 . . . A 68 ILE CA . 19893 1 665 . 1 1 68 68 ILE CB C 13 39.916 0.500 . 1 . . . A 68 ILE CB . 19893 1 666 . 1 1 68 68 ILE CG1 C 13 27.501 0.500 . 1 . . . A 68 ILE CG1 . 19893 1 667 . 1 1 68 68 ILE CG2 C 13 18.676 0.500 . 1 . . . A 68 ILE CG2 . 19893 1 668 . 1 1 68 68 ILE CD1 C 13 14.958 0.500 . 1 . . . A 68 ILE CD1 . 19893 1 669 . 1 1 68 68 ILE N N 15 118.905 0.500 . 1 . . . A 68 ILE N . 19893 1 670 . 1 1 69 69 ARG H H 1 9.018 0.040 . 1 . . . A 69 ARG H . 19893 1 671 . 1 1 69 69 ARG HA H 1 4.956 0.040 . 1 . . . A 69 ARG HA . 19893 1 672 . 1 1 69 69 ARG HB2 H 1 2.414 0.040 . 2 . . . A 69 ARG HB2 . 19893 1 673 . 1 1 69 69 ARG HB3 H 1 1.722 0.040 . 2 . . . A 69 ARG HB3 . 19893 1 674 . 1 1 69 69 ARG C C 13 175.294 0.500 . 1 . . . A 69 ARG C . 19893 1 675 . 1 1 69 69 ARG CA C 13 54.493 0.500 . 1 . . . A 69 ARG CA . 19893 1 676 . 1 1 69 69 ARG CB C 13 31.487 0.500 . 1 . . . A 69 ARG CB . 19893 1 677 . 1 1 69 69 ARG N N 15 119.69 0.500 . 1 . . . A 69 ARG N . 19893 1 678 . 1 1 70 70 GLU H H 1 7.565 0.040 . 1 . . . A 70 GLU H . 19893 1 679 . 1 1 70 70 GLU HA H 1 4.961 0.040 . 1 . . . A 70 GLU HA . 19893 1 680 . 1 1 70 70 GLU HB2 H 1 2.078 0.040 . 2 . . . A 70 GLU HB2 . 19893 1 681 . 1 1 70 70 GLU HB3 H 1 1.607 0.040 . 2 . . . A 70 GLU HB3 . 19893 1 682 . 1 1 70 70 GLU HG2 H 1 2.188 0.040 . 2 . . . A 70 GLU HG2 . 19893 1 683 . 1 1 70 70 GLU C C 13 174.398 0.500 . 1 . . . A 70 GLU C . 19893 1 684 . 1 1 70 70 GLU CA C 13 54.537 0.500 . 1 . . . A 70 GLU CA . 19893 1 685 . 1 1 70 70 GLU CB C 13 32.85 0.500 . 1 . . . A 70 GLU CB . 19893 1 686 . 1 1 70 70 GLU CG C 13 34.919 0.500 . 1 . . . A 70 GLU CG . 19893 1 687 . 1 1 70 70 GLU N N 15 116.461 0.500 . 1 . . . A 70 GLU N . 19893 1 688 . 1 1 71 71 VAL H H 1 8.946 0.040 . 1 . . . A 71 VAL H . 19893 1 689 . 1 1 71 71 VAL HA H 1 4.461 0.040 . 1 . . . A 71 VAL HA . 19893 1 690 . 1 1 71 71 VAL HB H 1 1.991 0.040 . 1 . . . A 71 VAL HB . 19893 1 691 . 1 1 71 71 VAL HG11 H 1 0.814 0.040 . 2 . . . A 71 VAL HG11 . 19893 1 692 . 1 1 71 71 VAL HG12 H 1 0.814 0.040 . 2 . . . A 71 VAL HG12 . 19893 1 693 . 1 1 71 71 VAL HG13 H 1 0.814 0.040 . 2 . . . A 71 VAL HG13 . 19893 1 694 . 1 1 71 71 VAL HG21 H 1 0.76 0.040 . 2 . . . A 71 VAL HG21 . 19893 1 695 . 1 1 71 71 VAL HG22 H 1 0.76 0.040 . 2 . . . A 71 VAL HG22 . 19893 1 696 . 1 1 71 71 VAL HG23 H 1 0.76 0.040 . 2 . . . A 71 VAL HG23 . 19893 1 697 . 1 1 71 71 VAL CA C 13 61.024 0.500 . 1 . . . A 71 VAL CA . 19893 1 698 . 1 1 71 71 VAL CB C 13 35.777 0.500 . 1 . . . A 71 VAL CB . 19893 1 699 . 1 1 71 71 VAL CG1 C 13 21.31 0.500 . 2 . . . A 71 VAL CG1 . 19893 1 700 . 1 1 71 71 VAL CG2 C 13 21.377 0.500 . 2 . . . A 71 VAL CG2 . 19893 1 701 . 1 1 71 71 VAL N N 15 116.838 0.500 . 1 . . . A 71 VAL N . 19893 1 702 . 1 1 72 72 TYR H H 1 8.689 0.040 . 1 . . . A 72 TYR H . 19893 1 703 . 1 1 72 72 TYR HA H 1 5.433 0.040 . 1 . . . A 72 TYR HA . 19893 1 704 . 1 1 72 72 TYR HB2 H 1 2.814 0.040 . 2 . . . A 72 TYR HB2 . 19893 1 705 . 1 1 72 72 TYR HB3 H 1 2.666 0.040 . 2 . . . A 72 TYR HB3 . 19893 1 706 . 1 1 72 72 TYR HD2 H 1 6.884 0.040 . 3 . . . A 72 TYR HD2 . 19893 1 707 . 1 1 72 72 TYR HE2 H 1 6.352 0.040 . 3 . . . A 72 TYR HE2 . 19893 1 708 . 1 1 72 72 TYR C C 13 176.183 0.500 . 1 . . . A 72 TYR C . 19893 1 709 . 1 1 72 72 TYR CA C 13 57.95 0.500 . 1 . . . A 72 TYR CA . 19893 1 710 . 1 1 72 72 TYR CB C 13 40.213 0.500 . 1 . . . A 72 TYR CB . 19893 1 711 . 1 1 72 72 TYR CD2 C 13 132.914 0.500 . 3 . . . A 72 TYR CD2 . 19893 1 712 . 1 1 72 72 TYR CE2 C 13 117.662 0.500 . 3 . . . A 72 TYR CE2 . 19893 1 713 . 1 1 72 72 TYR N N 15 125.566 0.500 . 1 . . . A 72 TYR N . 19893 1 714 . 1 1 73 73 LEU H H 1 9.202 0.040 . 1 . . . A 73 LEU H . 19893 1 715 . 1 1 73 73 LEU HA H 1 5.02 0.040 . 1 . . . A 73 LEU HA . 19893 1 716 . 1 1 73 73 LEU HB2 H 1 1.95 0.040 . 2 . . . A 73 LEU HB2 . 19893 1 717 . 1 1 73 73 LEU HB3 H 1 1.706 0.040 . 2 . . . A 73 LEU HB3 . 19893 1 718 . 1 1 73 73 LEU HG H 1 1.454 0.040 . 1 . . . A 73 LEU HG . 19893 1 719 . 1 1 73 73 LEU HD11 H 1 0.682 0.040 . 2 . . . A 73 LEU HD11 . 19893 1 720 . 1 1 73 73 LEU HD12 H 1 0.682 0.040 . 2 . . . A 73 LEU HD12 . 19893 1 721 . 1 1 73 73 LEU HD13 H 1 0.682 0.040 . 2 . . . A 73 LEU HD13 . 19893 1 722 . 1 1 73 73 LEU HD21 H 1 0.619 0.040 . 2 . . . A 73 LEU HD21 . 19893 1 723 . 1 1 73 73 LEU HD22 H 1 0.619 0.040 . 2 . . . A 73 LEU HD22 . 19893 1 724 . 1 1 73 73 LEU HD23 H 1 0.619 0.040 . 2 . . . A 73 LEU HD23 . 19893 1 725 . 1 1 73 73 LEU C C 13 176.134 0.500 . 1 . . . A 73 LEU C . 19893 1 726 . 1 1 73 73 LEU CA C 13 53.708 0.500 . 1 . . . A 73 LEU CA . 19893 1 727 . 1 1 73 73 LEU CB C 13 46.349 0.500 . 1 . . . A 73 LEU CB . 19893 1 728 . 1 1 73 73 LEU CD1 C 13 24.014 0.500 . 2 . . . A 73 LEU CD1 . 19893 1 729 . 1 1 73 73 LEU CD2 C 13 28.614 0.500 . 2 . . . A 73 LEU CD2 . 19893 1 730 . 1 1 73 73 LEU N N 15 122.757 0.500 . 1 . . . A 73 LEU N . 19893 1 731 . 1 1 74 74 LYS H H 1 9.205 0.040 . 1 . . . A 74 LYS H . 19893 1 732 . 1 1 74 74 LYS HA H 1 5.336 0.040 . 1 . . . A 74 LYS HA . 19893 1 733 . 1 1 74 74 LYS HB2 H 1 1.998 0.040 . 2 . . . A 74 LYS HB2 . 19893 1 734 . 1 1 74 74 LYS HB3 H 1 1.795 0.040 . 2 . . . A 74 LYS HB3 . 19893 1 735 . 1 1 74 74 LYS HG2 H 1 1.462 0.040 . 2 . . . A 74 LYS HG2 . 19893 1 736 . 1 1 74 74 LYS HG3 H 1 1.47 0.040 . 2 . . . A 74 LYS HG3 . 19893 1 737 . 1 1 74 74 LYS HD2 H 1 1.692 0.040 . 2 . . . A 74 LYS HD2 . 19893 1 738 . 1 1 74 74 LYS HE3 H 1 2.997 0.040 . 2 . . . A 74 LYS HE3 . 19893 1 739 . 1 1 74 74 LYS CA C 13 53.473 0.500 . 1 . . . A 74 LYS CA . 19893 1 740 . 1 1 74 74 LYS CB C 13 34.986 0.500 . 1 . . . A 74 LYS CB . 19893 1 741 . 1 1 74 74 LYS CG C 13 25.086 0.500 . 1 . . . A 74 LYS CG . 19893 1 742 . 1 1 74 74 LYS CD C 13 29.518 0.500 . 1 . . . A 74 LYS CD . 19893 1 743 . 1 1 74 74 LYS CE C 13 42.26 0.500 . 1 . . . A 74 LYS CE . 19893 1 744 . 1 1 74 74 LYS N N 15 124.941 0.500 . 1 . . . A 74 LYS N . 19893 1 745 . 1 1 75 75 PRO HA H 1 3.959 0.040 . 1 . . . A 75 PRO HA . 19893 1 746 . 1 1 75 75 PRO HB3 H 1 1.819 0.040 . 2 . . . A 75 PRO HB3 . 19893 1 747 . 1 1 75 75 PRO HG2 H 1 2.113 0.040 . 2 . . . A 75 PRO HG2 . 19893 1 748 . 1 1 75 75 PRO HG3 H 1 1.893 0.040 . 2 . . . A 75 PRO HG3 . 19893 1 749 . 1 1 75 75 PRO HD2 H 1 4.256 0.040 . 2 . . . A 75 PRO HD2 . 19893 1 750 . 1 1 75 75 PRO HD3 H 1 3.89 0.040 . 2 . . . A 75 PRO HD3 . 19893 1 751 . 1 1 75 75 PRO C C 13 176.549 0.500 . 1 . . . A 75 PRO C . 19893 1 752 . 1 1 75 75 PRO CA C 13 63.45 0.500 . 1 . . . A 75 PRO CA . 19893 1 753 . 1 1 75 75 PRO CB C 13 32.618 0.500 . 1 . . . A 75 PRO CB . 19893 1 754 . 1 1 75 75 PRO CG C 13 28.127 0.500 . 1 . . . A 75 PRO CG . 19893 1 755 . 1 1 75 75 PRO CD C 13 51.551 0.500 . 1 . . . A 75 PRO CD . 19893 1 756 . 1 1 76 76 ARG H H 1 10.063 0.040 . 1 . . . A 76 ARG H . 19893 1 757 . 1 1 76 76 ARG HA H 1 4.408 0.040 . 1 . . . A 76 ARG HA . 19893 1 758 . 1 1 76 76 ARG HB2 H 1 1.92 0.040 . 2 . . . A 76 ARG HB2 . 19893 1 759 . 1 1 76 76 ARG HB3 H 1 1.804 0.040 . 2 . . . A 76 ARG HB3 . 19893 1 760 . 1 1 76 76 ARG HG2 H 1 1.703 0.040 . 2 . . . A 76 ARG HG2 . 19893 1 761 . 1 1 76 76 ARG HD2 H 1 3.253 0.040 . 2 . . . A 76 ARG HD2 . 19893 1 762 . 1 1 76 76 ARG C C 13 178.244 0.500 . 1 . . . A 76 ARG C . 19893 1 763 . 1 1 76 76 ARG CA C 13 56.823 0.500 . 1 . . . A 76 ARG CA . 19893 1 764 . 1 1 76 76 ARG CB C 13 32.455 0.500 . 1 . . . A 76 ARG CB . 19893 1 765 . 1 1 76 76 ARG CG C 13 27.449 0.500 . 1 . . . A 76 ARG CG . 19893 1 766 . 1 1 76 76 ARG CD C 13 43.894 0.500 . 1 . . . A 76 ARG CD . 19893 1 767 . 1 1 76 76 ARG N N 15 122.429 0.500 . 1 . . . A 76 ARG N . 19893 1 768 . 1 1 77 77 ALA H H 1 9.71 0.040 . 1 . . . A 77 ALA H . 19893 1 769 . 1 1 77 77 ALA HA H 1 4.141 0.040 . 1 . . . A 77 ALA HA . 19893 1 770 . 1 1 77 77 ALA HB1 H 1 1.47 0.040 . 1 . . . A 77 ALA HB1 . 19893 1 771 . 1 1 77 77 ALA HB2 H 1 1.47 0.040 . 1 . . . A 77 ALA HB2 . 19893 1 772 . 1 1 77 77 ALA HB3 H 1 1.47 0.040 . 1 . . . A 77 ALA HB3 . 19893 1 773 . 1 1 77 77 ALA C C 13 179.691 0.500 . 1 . . . A 77 ALA C . 19893 1 774 . 1 1 77 77 ALA CA C 13 54.868 0.500 . 1 . . . A 77 ALA CA . 19893 1 775 . 1 1 77 77 ALA CB C 13 19.502 0.500 . 1 . . . A 77 ALA CB . 19893 1 776 . 1 1 77 77 ALA N N 15 127.287 0.500 . 1 . . . A 77 ALA N . 19893 1 777 . 1 1 78 78 VAL H H 1 7.954 0.040 . 1 . . . A 78 VAL H . 19893 1 778 . 1 1 78 78 VAL HA H 1 4.021 0.040 . 1 . . . A 78 VAL HA . 19893 1 779 . 1 1 78 78 VAL HB H 1 2.074 0.040 . 1 . . . A 78 VAL HB . 19893 1 780 . 1 1 78 78 VAL HG11 H 1 0.94 0.040 . 2 . . . A 78 VAL HG11 . 19893 1 781 . 1 1 78 78 VAL HG12 H 1 0.94 0.040 . 2 . . . A 78 VAL HG12 . 19893 1 782 . 1 1 78 78 VAL HG13 H 1 0.94 0.040 . 2 . . . A 78 VAL HG13 . 19893 1 783 . 1 1 78 78 VAL CA C 13 63.481 0.500 . 1 . . . A 78 VAL CA . 19893 1 784 . 1 1 78 78 VAL CB C 13 32.599 0.500 . 1 . . . A 78 VAL CB . 19893 1 785 . 1 1 78 78 VAL CG1 C 13 21.201 0.500 . 2 . . . A 78 VAL CG1 . 19893 1 786 . 1 1 78 78 VAL N N 15 118.326 0.500 . 1 . . . A 78 VAL N . 19893 1 787 . 1 1 79 79 LYS H H 1 8.695 0.040 . 1 . . . A 79 LYS H . 19893 1 788 . 1 1 79 79 LYS CA C 13 59.788 0.500 . 1 . . . A 79 LYS CA . 19893 1 789 . 1 1 79 79 LYS N N 15 125.429 0.500 . 1 . . . A 79 LYS N . 19893 1 790 . 1 1 80 80 ASN HA H 1 4.79 0.040 . 1 . . . A 80 ASN HA . 19893 1 791 . 1 1 80 80 ASN HB2 H 1 2.93 0.040 . 2 . . . A 80 ASN HB2 . 19893 1 792 . 1 1 80 80 ASN HB3 H 1 2.688 0.040 . 2 . . . A 80 ASN HB3 . 19893 1 793 . 1 1 80 80 ASN HD21 H 1 6.722 0.040 . 2 . . . A 80 ASN HD21 . 19893 1 794 . 1 1 80 80 ASN HD22 H 1 7.853 0.040 . 2 . . . A 80 ASN HD22 . 19893 1 795 . 1 1 80 80 ASN C C 13 175.317 0.500 . 1 . . . A 80 ASN C . 19893 1 796 . 1 1 80 80 ASN CA C 13 53.704 0.500 . 1 . . . A 80 ASN CA . 19893 1 797 . 1 1 80 80 ASN CB C 13 38.854 0.500 . 1 . . . A 80 ASN CB . 19893 1 798 . 1 1 80 80 ASN ND2 N 15 112.529 0.500 . 1 . . . A 80 ASN ND2 . 19893 1 799 . 1 1 81 81 SER H H 1 7.715 0.040 . 1 . . . A 81 SER H . 19893 1 800 . 1 1 81 81 SER HA H 1 4.408 0.040 . 1 . . . A 81 SER HA . 19893 1 801 . 1 1 81 81 SER HB2 H 1 3.872 0.040 . 2 . . . A 81 SER HB2 . 19893 1 802 . 1 1 81 81 SER CA C 13 59.296 0.500 . 1 . . . A 81 SER CA . 19893 1 803 . 1 1 81 81 SER CB C 13 64.171 0.500 . 1 . . . A 81 SER CB . 19893 1 804 . 1 1 81 81 SER N N 15 113.408 0.500 . 1 . . . A 81 SER N . 19893 1 805 . 1 1 82 82 SER H H 1 8.472 0.040 . 1 . . . A 82 SER H . 19893 1 806 . 1 1 82 82 SER HA H 1 4.541 0.040 . 1 . . . A 82 SER HA . 19893 1 807 . 1 1 82 82 SER HB2 H 1 3.898 0.040 . 2 . . . A 82 SER HB2 . 19893 1 808 . 1 1 82 82 SER C C 13 174.196 0.500 . 1 . . . A 82 SER C . 19893 1 809 . 1 1 82 82 SER CA C 13 58.767 0.500 . 1 . . . A 82 SER CA . 19893 1 810 . 1 1 82 82 SER CB C 13 64.382 0.500 . 1 . . . A 82 SER CB . 19893 1 811 . 1 1 82 82 SER N N 15 117.894 0.500 . 1 . . . A 82 SER N . 19893 1 812 . 1 1 83 83 VAL H H 1 7.686 0.040 . 1 . . . A 83 VAL H . 19893 1 813 . 1 1 83 83 VAL HA H 1 4.401 0.040 . 1 . . . A 83 VAL HA . 19893 1 814 . 1 1 83 83 VAL HB H 1 1.768 0.040 . 1 . . . A 83 VAL HB . 19893 1 815 . 1 1 83 83 VAL HG11 H 1 0.736 0.040 . 2 . . . A 83 VAL HG11 . 19893 1 816 . 1 1 83 83 VAL HG12 H 1 0.736 0.040 . 2 . . . A 83 VAL HG12 . 19893 1 817 . 1 1 83 83 VAL HG13 H 1 0.736 0.040 . 2 . . . A 83 VAL HG13 . 19893 1 818 . 1 1 83 83 VAL HG21 H 1 0.515 0.040 . 2 . . . A 83 VAL HG21 . 19893 1 819 . 1 1 83 83 VAL HG22 H 1 0.515 0.040 . 2 . . . A 83 VAL HG22 . 19893 1 820 . 1 1 83 83 VAL HG23 H 1 0.515 0.040 . 2 . . . A 83 VAL HG23 . 19893 1 821 . 1 1 83 83 VAL C C 13 174.614 0.500 . 1 . . . A 83 VAL C . 19893 1 822 . 1 1 83 83 VAL CA C 13 62.532 0.500 . 1 . . . A 83 VAL CA . 19893 1 823 . 1 1 83 83 VAL CB C 13 34.388 0.500 . 1 . . . A 83 VAL CB . 19893 1 824 . 1 1 83 83 VAL CG1 C 13 21.602 0.500 . 2 . . . A 83 VAL CG1 . 19893 1 825 . 1 1 83 83 VAL CG2 C 13 21.382 0.500 . 2 . . . A 83 VAL CG2 . 19893 1 826 . 1 1 83 83 VAL N N 15 122.43 0.500 . 1 . . . A 83 VAL N . 19893 1 827 . 1 1 84 84 GLN H H 1 8.287 0.040 . 1 . . . A 84 GLN H . 19893 1 828 . 1 1 84 84 GLN HA H 1 4.787 0.040 . 1 . . . A 84 GLN HA . 19893 1 829 . 1 1 84 84 GLN HB2 H 1 2.199 0.040 . 2 . . . A 84 GLN HB2 . 19893 1 830 . 1 1 84 84 GLN HB3 H 1 1.952 0.040 . 2 . . . A 84 GLN HB3 . 19893 1 831 . 1 1 84 84 GLN HG2 H 1 2.197 0.040 . 2 . . . A 84 GLN HG2 . 19893 1 832 . 1 1 84 84 GLN HE21 H 1 6.517 0.040 . 2 . . . A 84 GLN HE21 . 19893 1 833 . 1 1 84 84 GLN HE22 H 1 8.206 0.040 . 2 . . . A 84 GLN HE22 . 19893 1 834 . 1 1 84 84 GLN C C 13 174.077 0.500 . 1 . . . A 84 GLN C . 19893 1 835 . 1 1 84 84 GLN CA C 13 55.073 0.500 . 1 . . . A 84 GLN CA . 19893 1 836 . 1 1 84 84 GLN CB C 13 32.723 0.500 . 1 . . . A 84 GLN CB . 19893 1 837 . 1 1 84 84 GLN CG C 13 34.565 0.500 . 1 . . . A 84 GLN CG . 19893 1 838 . 1 1 84 84 GLN N N 15 123.141 0.500 . 1 . . . A 84 GLN N . 19893 1 839 . 1 1 84 84 GLN NE2 N 15 112.339 0.500 . 1 . . . A 84 GLN NE2 . 19893 1 840 . 1 1 85 85 PHE H H 1 9.241 0.040 . 1 . . . A 85 PHE H . 19893 1 841 . 1 1 85 85 PHE HA H 1 5.288 0.040 . 1 . . . A 85 PHE HA . 19893 1 842 . 1 1 85 85 PHE HB2 H 1 3.051 0.040 . 2 . . . A 85 PHE HB2 . 19893 1 843 . 1 1 85 85 PHE HB3 H 1 2.782 0.040 . 2 . . . A 85 PHE HB3 . 19893 1 844 . 1 1 85 85 PHE HD2 H 1 7.184 0.040 . 3 . . . A 85 PHE HD2 . 19893 1 845 . 1 1 85 85 PHE HE2 H 1 7.254 0.040 . 3 . . . A 85 PHE HE2 . 19893 1 846 . 1 1 85 85 PHE HZ H 1 7.299 0.040 . 1 . . . A 85 PHE HZ . 19893 1 847 . 1 1 85 85 PHE C C 13 175.063 0.500 . 1 . . . A 85 PHE C . 19893 1 848 . 1 1 85 85 PHE CA C 13 57.435 0.500 . 1 . . . A 85 PHE CA . 19893 1 849 . 1 1 85 85 PHE CB C 13 41.208 0.500 . 1 . . . A 85 PHE CB . 19893 1 850 . 1 1 85 85 PHE CD2 C 13 131.888 0.500 . 3 . . . A 85 PHE CD2 . 19893 1 851 . 1 1 85 85 PHE CE2 C 13 131.177 0.500 . 3 . . . A 85 PHE CE2 . 19893 1 852 . 1 1 85 85 PHE CZ C 13 132.383 0.500 . 1 . . . A 85 PHE CZ . 19893 1 853 . 1 1 85 85 PHE N N 15 121.281 0.500 . 1 . . . A 85 PHE N . 19893 1 854 . 1 1 86 86 HIS H H 1 9.34 0.040 . 1 . . . A 86 HIS H . 19893 1 855 . 1 1 86 86 HIS HA H 1 4.747 0.040 . 1 . . . A 86 HIS HA . 19893 1 856 . 1 1 86 86 HIS HB2 H 1 3.148 0.040 . 2 . . . A 86 HIS HB2 . 19893 1 857 . 1 1 86 86 HIS HB3 H 1 2.697 0.040 . 2 . . . A 86 HIS HB3 . 19893 1 858 . 1 1 86 86 HIS C C 13 172.315 0.500 . 1 . . . A 86 HIS C . 19893 1 859 . 1 1 86 86 HIS CA C 13 52.353 0.500 . 1 . . . A 86 HIS CA . 19893 1 860 . 1 1 86 86 HIS CB C 13 30.085 0.500 . 1 . . . A 86 HIS CB . 19893 1 861 . 1 1 86 86 HIS N N 15 125.3 0.500 . 1 . . . A 86 HIS N . 19893 1 862 . 1 1 87 87 VAL H H 1 8.722 0.040 . 1 . . . A 87 VAL H . 19893 1 863 . 1 1 87 87 VAL HA H 1 4.223 0.040 . 1 . . . A 87 VAL HA . 19893 1 864 . 1 1 87 87 VAL HB H 1 1.697 0.040 . 1 . . . A 87 VAL HB . 19893 1 865 . 1 1 87 87 VAL HG11 H 1 0.524 0.040 . 2 . . . A 87 VAL HG11 . 19893 1 866 . 1 1 87 87 VAL HG12 H 1 0.524 0.040 . 2 . . . A 87 VAL HG12 . 19893 1 867 . 1 1 87 87 VAL HG13 H 1 0.524 0.040 . 2 . . . A 87 VAL HG13 . 19893 1 868 . 1 1 87 87 VAL HG21 H 1 0.235 0.040 . 2 . . . A 87 VAL HG21 . 19893 1 869 . 1 1 87 87 VAL HG22 H 1 0.235 0.040 . 2 . . . A 87 VAL HG22 . 19893 1 870 . 1 1 87 87 VAL HG23 H 1 0.235 0.040 . 2 . . . A 87 VAL HG23 . 19893 1 871 . 1 1 87 87 VAL C C 13 173.887 0.500 . 1 . . . A 87 VAL C . 19893 1 872 . 1 1 87 87 VAL CA C 13 61.138 0.500 . 1 . . . A 87 VAL CA . 19893 1 873 . 1 1 87 87 VAL CB C 13 31.976 0.500 . 1 . . . A 87 VAL CB . 19893 1 874 . 1 1 87 87 VAL CG1 C 13 22.584 0.500 . 2 . . . A 87 VAL CG1 . 19893 1 875 . 1 1 87 87 VAL CG2 C 13 23.444 0.500 . 2 . . . A 87 VAL CG2 . 19893 1 876 . 1 1 87 87 VAL N N 15 127.396 0.500 . 1 . . . A 87 VAL N . 19893 1 877 . 1 1 88 88 ILE H H 1 8.605 0.040 . 1 . . . A 88 ILE H . 19893 1 878 . 1 1 88 88 ILE HA H 1 3.785 0.040 . 1 . . . A 88 ILE HA . 19893 1 879 . 1 1 88 88 ILE HB H 1 0.151 0.040 . 1 . . . A 88 ILE HB . 19893 1 880 . 1 1 88 88 ILE HG12 H 1 0.351 0.040 . 2 . . . A 88 ILE HG12 . 19893 1 881 . 1 1 88 88 ILE HG13 H 1 0.333 0.040 . 2 . . . A 88 ILE HG13 . 19893 1 882 . 1 1 88 88 ILE HG21 H 1 0.711 0.040 . 1 . . . A 88 ILE HG21 . 19893 1 883 . 1 1 88 88 ILE HG22 H 1 0.711 0.040 . 1 . . . A 88 ILE HG22 . 19893 1 884 . 1 1 88 88 ILE HG23 H 1 0.711 0.040 . 1 . . . A 88 ILE HG23 . 19893 1 885 . 1 1 88 88 ILE HD11 H 1 0.015 0.040 . 1 . . . A 88 ILE HD11 . 19893 1 886 . 1 1 88 88 ILE HD12 H 1 0.015 0.040 . 1 . . . A 88 ILE HD12 . 19893 1 887 . 1 1 88 88 ILE HD13 H 1 0.015 0.040 . 1 . . . A 88 ILE HD13 . 19893 1 888 . 1 1 88 88 ILE C C 13 174.542 0.500 . 1 . . . A 88 ILE C . 19893 1 889 . 1 1 88 88 ILE CA C 13 60.42 0.500 . 1 . . . A 88 ILE CA . 19893 1 890 . 1 1 88 88 ILE CB C 13 41.068 0.500 . 1 . . . A 88 ILE CB . 19893 1 891 . 1 1 88 88 ILE CG1 C 13 28.104 0.500 . 1 . . . A 88 ILE CG1 . 19893 1 892 . 1 1 88 88 ILE CG2 C 13 18.212 0.500 . 1 . . . A 88 ILE CG2 . 19893 1 893 . 1 1 88 88 ILE CD1 C 13 14.062 0.500 . 1 . . . A 88 ILE CD1 . 19893 1 894 . 1 1 88 88 ILE N N 15 127.814 0.500 . 1 . . . A 88 ILE N . 19893 1 895 . 1 1 89 89 PHE H H 1 7.872 0.040 . 1 . . . A 89 PHE H . 19893 1 896 . 1 1 89 89 PHE HA H 1 5.681 0.040 . 1 . . . A 89 PHE HA . 19893 1 897 . 1 1 89 89 PHE HB2 H 1 2.938 0.040 . 2 . . . A 89 PHE HB2 . 19893 1 898 . 1 1 89 89 PHE HB3 H 1 2.828 0.040 . 2 . . . A 89 PHE HB3 . 19893 1 899 . 1 1 89 89 PHE HD1 H 1 7.028 0.040 . 3 . . . A 89 PHE HD1 . 19893 1 900 . 1 1 89 89 PHE HE1 H 1 6.919 0.040 . 3 . . . A 89 PHE HE1 . 19893 1 901 . 1 1 89 89 PHE HZ H 1 7.079 0.040 . 1 . . . A 89 PHE HZ . 19893 1 902 . 1 1 89 89 PHE C C 13 175.138 0.500 . 1 . . . A 89 PHE C . 19893 1 903 . 1 1 89 89 PHE CA C 13 53.319 0.500 . 1 . . . A 89 PHE CA . 19893 1 904 . 1 1 89 89 PHE CB C 13 39.41 0.500 . 1 . . . A 89 PHE CB . 19893 1 905 . 1 1 89 89 PHE CD1 C 13 131.252 0.500 . 3 . . . A 89 PHE CD1 . 19893 1 906 . 1 1 89 89 PHE CE1 C 13 131.193 0.500 . 3 . . . A 89 PHE CE1 . 19893 1 907 . 1 1 89 89 PHE CZ C 13 131.285 0.500 . 1 . . . A 89 PHE CZ . 19893 1 908 . 1 1 89 89 PHE N N 15 125.156 0.500 . 1 . . . A 89 PHE N . 19893 1 909 . 1 1 90 90 ASP H H 1 8.74 0.040 . 1 . . . A 90 ASP H . 19893 1 910 . 1 1 90 90 ASP HA H 1 4.811 0.040 . 1 . . . A 90 ASP HA . 19893 1 911 . 1 1 90 90 ASP HB2 H 1 2.861 0.040 . 2 . . . A 90 ASP HB2 . 19893 1 912 . 1 1 90 90 ASP HB3 H 1 2.502 0.040 . 2 . . . A 90 ASP HB3 . 19893 1 913 . 1 1 90 90 ASP C C 13 176.988 0.500 . 1 . . . A 90 ASP C . 19893 1 914 . 1 1 90 90 ASP CA C 13 54.501 0.500 . 1 . . . A 90 ASP CA . 19893 1 915 . 1 1 90 90 ASP CB C 13 42.286 0.500 . 1 . . . A 90 ASP CB . 19893 1 916 . 1 1 90 90 ASP N N 15 125.113 0.500 . 1 . . . A 90 ASP N . 19893 1 917 . 1 1 91 91 GLU H H 1 9.028 0.040 . 1 . . . A 91 GLU H . 19893 1 918 . 1 1 91 91 GLU HA H 1 4.374 0.040 . 1 . . . A 91 GLU HA . 19893 1 919 . 1 1 91 91 GLU HB2 H 1 2.237 0.040 . 2 . . . A 91 GLU HB2 . 19893 1 920 . 1 1 91 91 GLU HB3 H 1 1.959 0.040 . 2 . . . A 91 GLU HB3 . 19893 1 921 . 1 1 91 91 GLU HG2 H 1 2.397 0.040 . 2 . . . A 91 GLU HG2 . 19893 1 922 . 1 1 91 91 GLU C C 13 175.801 0.500 . 1 . . . A 91 GLU C . 19893 1 923 . 1 1 91 91 GLU CA C 13 57.471 0.500 . 1 . . . A 91 GLU CA . 19893 1 924 . 1 1 91 91 GLU CB C 13 31.192 0.500 . 1 . . . A 91 GLU CB . 19893 1 925 . 1 1 91 91 GLU CG C 13 36.245 0.500 . 1 . . . A 91 GLU CG . 19893 1 926 . 1 1 91 91 GLU N N 15 124.589 0.500 . 1 . . . A 91 GLU N . 19893 1 927 . 1 1 92 92 GLU H H 1 8.111 0.040 . 1 . . . A 92 GLU H . 19893 1 928 . 1 1 92 92 GLU HA H 1 4.171 0.040 . 1 . . . A 92 GLU HA . 19893 1 929 . 1 1 92 92 GLU HB2 H 1 1.947 0.040 . 2 . . . A 92 GLU HB2 . 19893 1 930 . 1 1 92 92 GLU HG2 H 1 2.265 0.040 . 2 . . . A 92 GLU HG2 . 19893 1 931 . 1 1 92 92 GLU CA C 13 58.376 0.500 . 1 . . . A 92 GLU CA . 19893 1 932 . 1 1 92 92 GLU CB C 13 31.986 0.500 . 1 . . . A 92 GLU CB . 19893 1 933 . 1 1 92 92 GLU N N 15 126.584 0.500 . 1 . . . A 92 GLU N . 19893 1 stop_ save_