data_50274 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50274 _Entry.Title ; Orb2A Prion Like Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-05-15 _Entry.Accession_date 2020-05-15 _Entry.Last_release_date 2020-05-15 _Entry.Original_release_date 2020-05-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Chemical shifts of residues 1-88 of the Orb2A protein, whose functional amyloid formation is implicated in memory consolidation. Two sets of chemical shifts, obtained at pH 4 and pH 7, respectively, and 25oC are reported. Two extra residues Gly1-Ser2, resulting from cloning and tag-cleavage, are present at the N-terminus. ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Douglas Laurents . V. . 0000-0002-4187-165X 50274 2 Javier Oroz . . . 0000-0003-2687-3013 50274 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . '"Manuel Rico" NMR Laboratory (LMR) of the Spanish National Research Council (CSIC)' . 50274 2 . 'A node of the Spanish Large-Scale National Facility (ICTS R-LRB)' . 50274 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 50274 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 485 50274 '15N chemical shifts' 167 50274 '1H chemical shifts' 254 50274 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 . . 2020-10-21 . original BMRB . 50274 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50274 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; pH Changes Trigger Structural Transitions in Drosophila Orb2A PLD Relevant for Functional Aggregation in Memory Consolidation ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Javier Oroz . . . . 50274 1 2 Sara 'Sousa Felix' . . . . 50274 1 3 Eurico Cabrito . . . . 50274 1 4 Douglas Laurents . V. . . 50274 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'memory consolidation, functional amyloids' 50274 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50274 _Assembly.ID 1 _Assembly.Name 'Orb2A PLD' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 10081 _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 'Orb2A PLD' 1 $entity_1 . . yes native no no . . . 50274 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50274 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSMYNKFVNFICGGLPNLNL NKPPQLHQQQHQQQHQQHQQ HQQQQQLHQHQQQLSPNLSA LHHHHQQQQQLRESGGSHSP SSPGGGGGGS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq G1-S2-M3-Y4-N5...G88-G89-S90 _Entity.Polymer_author_seq_details ; G1 & S2 are from cloning and tag cleavage. The WT Orb2A prion-like domain sequence is: M1YNKFVNFICGGLPNLNLNKPPQLHQQQHQQQHQQHQQHQQQQQLHQHQQQLSPNLSALHHHHQQQQQLRESGGSHSPSSPGGGGGGS88. ; _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10081 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes 'NCBI Reference Sequence' NP_729429.1 . 'orb2, isoform A [Drosophila melanogaster]' . . . . . . . . . . . . . . 50274 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Functional amyloid formation linked to memory consolidation in Drosophila' 50274 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 50274 1 2 . SER . 50274 1 3 . MET . 50274 1 4 . TYR . 50274 1 5 . ASN . 50274 1 6 . LYS . 50274 1 7 . PHE . 50274 1 8 . VAL . 50274 1 9 . ASN . 50274 1 10 . PHE . 50274 1 11 . ILE . 50274 1 12 . CYS . 50274 1 13 . GLY . 50274 1 14 . GLY . 50274 1 15 . LEU . 50274 1 16 . PRO . 50274 1 17 . ASN . 50274 1 18 . LEU . 50274 1 19 . ASN . 50274 1 20 . LEU . 50274 1 21 . ASN . 50274 1 22 . LYS . 50274 1 23 . PRO . 50274 1 24 . PRO . 50274 1 25 . GLN . 50274 1 26 . LEU . 50274 1 27 . HIS . 50274 1 28 . GLN . 50274 1 29 . GLN . 50274 1 30 . GLN . 50274 1 31 . HIS . 50274 1 32 . GLN . 50274 1 33 . GLN . 50274 1 34 . GLN . 50274 1 35 . HIS . 50274 1 36 . GLN . 50274 1 37 . GLN . 50274 1 38 . HIS . 50274 1 39 . GLN . 50274 1 40 . GLN . 50274 1 41 . HIS . 50274 1 42 . GLN . 50274 1 43 . GLN . 50274 1 44 . GLN . 50274 1 45 . GLN . 50274 1 46 . GLN . 50274 1 47 . LEU . 50274 1 48 . HIS . 50274 1 49 . GLN . 50274 1 50 . HIS . 50274 1 51 . GLN . 50274 1 52 . GLN . 50274 1 53 . GLN . 50274 1 54 . LEU . 50274 1 55 . SER . 50274 1 56 . PRO . 50274 1 57 . ASN . 50274 1 58 . LEU . 50274 1 59 . SER . 50274 1 60 . ALA . 50274 1 61 . LEU . 50274 1 62 . HIS . 50274 1 63 . HIS . 50274 1 64 . HIS . 50274 1 65 . HIS . 50274 1 66 . GLN . 50274 1 67 . GLN . 50274 1 68 . GLN . 50274 1 69 . GLN . 50274 1 70 . GLN . 50274 1 71 . LEU . 50274 1 72 . ARG . 50274 1 73 . GLU . 50274 1 74 . SER . 50274 1 75 . GLY . 50274 1 76 . GLY . 50274 1 77 . SER . 50274 1 78 . HIS . 50274 1 79 . SER . 50274 1 80 . PRO . 50274 1 81 . SER . 50274 1 82 . SER . 50274 1 83 . PRO . 50274 1 84 . GLY . 50274 1 85 . GLY . 50274 1 86 . GLY . 50274 1 87 . GLY . 50274 1 88 . GLY . 50274 1 89 . GLY . 50274 1 90 . SER . 50274 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 50274 1 . SER 2 2 50274 1 . MET 3 3 50274 1 . TYR 4 4 50274 1 . ASN 5 5 50274 1 . LYS 6 6 50274 1 . PHE 7 7 50274 1 . VAL 8 8 50274 1 . ASN 9 9 50274 1 . PHE 10 10 50274 1 . ILE 11 11 50274 1 . CYS 12 12 50274 1 . GLY 13 13 50274 1 . GLY 14 14 50274 1 . LEU 15 15 50274 1 . PRO 16 16 50274 1 . ASN 17 17 50274 1 . LEU 18 18 50274 1 . ASN 19 19 50274 1 . LEU 20 20 50274 1 . ASN 21 21 50274 1 . LYS 22 22 50274 1 . PRO 23 23 50274 1 . PRO 24 24 50274 1 . GLN 25 25 50274 1 . LEU 26 26 50274 1 . HIS 27 27 50274 1 . GLN 28 28 50274 1 . GLN 29 29 50274 1 . GLN 30 30 50274 1 . HIS 31 31 50274 1 . GLN 32 32 50274 1 . GLN 33 33 50274 1 . GLN 34 34 50274 1 . HIS 35 35 50274 1 . GLN 36 36 50274 1 . GLN 37 37 50274 1 . HIS 38 38 50274 1 . GLN 39 39 50274 1 . GLN 40 40 50274 1 . HIS 41 41 50274 1 . GLN 42 42 50274 1 . GLN 43 43 50274 1 . GLN 44 44 50274 1 . GLN 45 45 50274 1 . GLN 46 46 50274 1 . LEU 47 47 50274 1 . HIS 48 48 50274 1 . GLN 49 49 50274 1 . HIS 50 50 50274 1 . GLN 51 51 50274 1 . GLN 52 52 50274 1 . GLN 53 53 50274 1 . LEU 54 54 50274 1 . SER 55 55 50274 1 . PRO 56 56 50274 1 . ASN 57 57 50274 1 . LEU 58 58 50274 1 . SER 59 59 50274 1 . ALA 60 60 50274 1 . LEU 61 61 50274 1 . HIS 62 62 50274 1 . HIS 63 63 50274 1 . HIS 64 64 50274 1 . HIS 65 65 50274 1 . GLN 66 66 50274 1 . GLN 67 67 50274 1 . GLN 68 68 50274 1 . GLN 69 69 50274 1 . GLN 70 70 50274 1 . LEU 71 71 50274 1 . ARG 72 72 50274 1 . GLU 73 73 50274 1 . SER 74 74 50274 1 . GLY 75 75 50274 1 . GLY 76 76 50274 1 . SER 77 77 50274 1 . HIS 78 78 50274 1 . SER 79 79 50274 1 . PRO 80 80 50274 1 . SER 81 81 50274 1 . SER 82 82 50274 1 . PRO 83 83 50274 1 . GLY 84 84 50274 1 . GLY 85 85 50274 1 . GLY 86 86 50274 1 . GLY 87 87 50274 1 . GLY 88 88 50274 1 . GLY 89 89 50274 1 . SER 90 90 50274 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50274 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . 50274 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50274 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . ??? . . . 50274 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50274 _Sample.ID 1 _Sample.Name 'Orb2A PLD, Sample pH 4' _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.5 mM 13C,15N Orb2A PLD, with 1 mM deuterated acetic acid, pH 4' _Sample.Aggregate_sample_number 1 _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 'Orb2A PLD' '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 1.5 . . mM 0.3 . . . 50274 1 2 DSS 'natural abundance' . . . . . . 50 . . uM 10 . . . 50274 1 3 D2O 'natural abundance' . . . . . . 10 . . % 1 . . . 50274 1 4 'acetic acid' [U-2H] . . . . . . 1.0 . . mM 0.05 . . . 50274 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50274 _Sample.ID 2 _Sample.Name 'Orb2A PLD, Sample pH 7' _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8 mM 13C,15N Orb2A PLD, with PBS, pH 7.0' _Sample.Aggregate_sample_number 2 _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 'Orb2A PLD' '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 1.5 . . mM 0.3 . . . 50274 2 2 DSS 'natural abundance' . . . . . . 50 . . uM 10 . . . 50274 2 3 D2O 'natural abundance' . . . . . . 10 . . % 1 . . . 50274 2 4 'acetic acid' [U-2H] . . . . . . 1.0 . . mM 0.05 . . . 50274 2 5 'sodium hydrogen phosphate' 'natural abundance' . . . . . . 25 . . mM 1 . . . 50274 2 6 'sodium dihydrogen phosphate' 'natural abundance' . . . . . . 25 . . mM 1 . . . 50274 2 7 TCEP 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 50274 2 8 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 50274 2 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 50274 _Sample_condition_list.ID 1 _Sample_condition_list.Name 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.001 0.001 M 50274 1 pH 4.0 0.05 pH 50274 1 pressure 0.93 0.01 atm 50274 1 temperature 298.2 0.1 K 50274 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 50274 _Sample_condition_list.ID 2 _Sample_condition_list.Name 2 _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' 310 30 mM 50274 2 pH 7.01 0.02 pH 50274 2 pressure 0.93 0.01 atm 50274 2 temperature 298.2 0.1 K 50274 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50274 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 50274 1 . processing 50274 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50274 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version 'NMRFAM version 1.4' _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 50274 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50274 _Software.ID 3 _Software.Type . _Software.Name TALOS+ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure solution' 50274 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50274 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800' _NMR_spectrometer.Details '800 MHz in 1H' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50274 _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 '1D 1H' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50274 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50274 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50274 1 4 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50274 1 5 '2D CON' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50274 1 6 '3D CBCACON' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50274 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50274 1 8 '3D hacacoNcaNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50274 1 9 '3D hacaCOncaNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50274 1 10 '3D HncocaNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50274 1 11 '1D 1H' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50274 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50274 1 13 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50274 1 14 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50274 1 15 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50274 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50274 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Orb2 referenced with DSS according to IUPAC norms' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50274 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50274 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50274 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50274 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Orb2A PLD, Sample pH 4' _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 $chem_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 's.d. among multiple assigned values' _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 2 '2D 1H-15N HSQC' . . . 50274 1 3 '3D HNCA' . . . 50274 1 4 '3D HNHA' . . . 50274 1 5 '2D CON' . . . 50274 1 6 '3D CBCACON' . . . 50274 1 8 '3D hacacoNcaNCO' . . . 50274 1 9 '3D hacaCOncaNCO' . . . 50274 1 10 '3D HncocaNH' . . . 50274 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50274 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY C C 13 170.178 0.02 . 1 . . . . . 1 GLY CO . 50274 1 2 . 1 . 1 1 1 GLY CA C 13 42.946 0.10 . 1 . . . . . 1 GLY CA . 50274 1 3 . 1 . 1 2 2 SER H H 1 8.664 0.01 . 1 . . . . . 2 SER HN . 50274 1 4 . 1 . 1 2 2 SER HA H 1 4.525 0.02 . 1 . . . . . 2 SER HA . 50274 1 5 . 1 . 1 2 2 SER C C 13 174.490 0.02 . 1 . . . . . 2 SER CO . 50274 1 6 . 1 . 1 2 2 SER CA C 13 58.221 0.06 . 1 . . . . . 2 SER CA . 50274 1 7 . 1 . 1 2 2 SER CB C 13 63.861 0.08 . 1 . . . . . 2 SER CB . 50274 1 8 . 1 . 1 2 2 SER N N 15 115.615 0.02 . 1 . . . . . 2 SER N . 50274 1 9 . 1 . 1 3 3 MET H H 1 8.532 0.01 . 1 . . . . . 3 MET HN . 50274 1 10 . 1 . 1 3 3 MET HA H 1 4.345 0.02 . 1 . . . . . 3 MET HA . 50274 1 11 . 1 . 1 3 3 MET C C 13 175.810 0.02 . 1 . . . . . 3 MET CO . 50274 1 12 . 1 . 1 3 3 MET CA C 13 55.674 0.05 . 1 . . . . . 3 MET CA . 50274 1 13 . 1 . 1 3 3 MET CB C 13 32.275 0.08 . 1 . . . . . 3 MET CB . 50274 1 14 . 1 . 1 3 3 MET N N 15 122.561 0.02 . 1 . . . . . 3 MET N . 50274 1 15 . 1 . 1 4 4 TYR H H 1 8.216 0.01 . 1 . . . . . 4 TYR HN . 50274 1 16 . 1 . 1 4 4 TYR HA H 1 4.564 0.02 . 1 . . . . . 4 TYR HA . 50274 1 17 . 1 . 1 4 4 TYR C C 13 175.330 0.02 . 1 . . . . . 4 TYR CO . 50274 1 18 . 1 . 1 4 4 TYR CA C 13 57.857 0.02 . 1 . . . . . 4 TYR CA . 50274 1 19 . 1 . 1 4 4 TYR CB C 13 38.540 0.08 . 1 . . . . . 4 TYR CB . 50274 1 20 . 1 . 1 4 4 TYR N N 15 121.228 0.02 . 1 . . . . . 4 TYR N . 50274 1 21 . 1 . 1 5 5 ASN H H 1 8.225 0.01 . 1 . . . . . 5 ASN HN . 50274 1 22 . 1 . 1 5 5 ASN HA H 1 4.586 0.02 . 1 . . . . . 5 ASN HA . 50274 1 23 . 1 . 1 5 5 ASN C C 13 174.750 0.02 . 1 . . . . . 5 ASN CO . 50274 1 24 . 1 . 1 5 5 ASN CA C 13 52.953 0.05 . 1 . . . . . 5 ASN CA . 50274 1 25 . 1 . 1 5 5 ASN CB C 13 38.81 0.08 . 1 . . . . . 5 ASN CB . 50274 1 26 . 1 . 1 5 5 ASN N N 15 121.075 0.02 . 1 . . . . . 5 ASN N . 50274 1 27 . 1 . 1 6 6 LYS H H 1 8.095 0.01 . 1 . . . . . 6 LYS HN . 50274 1 28 . 1 . 1 6 6 LYS HA H 1 4.168 0.02 . 1 . . . . . 6 LYS HA . 50274 1 29 . 1 . 1 6 6 LYS C C 13 176.070 0.02 . 1 . . . . . 6 LYS CO . 50274 1 30 . 1 . 1 6 6 LYS CA C 13 56.680 0.07 . 1 . . . . . 6 LYS CA . 50274 1 31 . 1 . 1 6 6 LYS CB C 13 32.800 0.08 . 1 . . . . . 6 LYS CB . 50274 1 32 . 1 . 1 6 6 LYS N N 15 121.551 0.02 . 1 . . . . . 6 LYS N . 50274 1 33 . 1 . 1 7 7 PHE H H 1 8.187 0.01 . 1 . . . . . 7 PHE HN . 50274 1 34 . 1 . 1 7 7 PHE HA H 1 4.625 0.01 . 1 . . . . . 7 PHE HA . 50274 1 35 . 1 . 1 7 7 PHE C C 13 175.630 0.02 . 1 . . . . . 7 PHE CO . 50274 1 36 . 1 . 1 7 7 PHE CA C 13 57.740 0.04 . 1 . . . . . 7 PHE CA . 50274 1 37 . 1 . 1 7 7 PHE CB C 13 39.220 0.08 . 1 . . . . . 7 PHE CB . 50274 1 38 . 1 . 1 7 7 PHE N N 15 120.366 0.02 . 1 . . . . . 7 PHE N . 50274 1 39 . 1 . 1 8 8 VAL H H 1 7.866 0.01 . 1 . . . . . 8 VAL HN . 50274 1 40 . 1 . 1 8 8 VAL HA H 1 4.027 0.02 . 1 . . . . . 8 VAL HA . 50274 1 41 . 1 . 1 8 8 VAL C C 13 175.180 0.02 . 1 . . . . . 8 VAL CO . 50274 1 42 . 1 . 1 8 8 VAL CA C 13 62.270 0.05 . 1 . . . . . 8 VAL CA . 50274 1 43 . 1 . 1 8 8 VAL CB C 13 32.900 0.08 . 1 . . . . . 8 VAL CB . 50274 1 44 . 1 . 1 8 8 VAL N N 15 121.406 0.02 . 1 . . . . . 8 VAL N . 50274 1 45 . 1 . 1 9 9 ASN H H 1 8.286 0.01 . 1 . . . . . 9 ASN HN . 50274 1 46 . 1 . 1 9 9 ASN HA H 1 4.636 0.02 . 1 . . . . . 9 ASN HA . 50274 1 47 . 1 . 1 9 9 ASN C C 13 174.580 0.02 . 1 . . . . . 9 ASN CO . 50274 1 48 . 1 . 1 9 9 ASN CA C 13 53.370 0.05 . 1 . . . . . 9 ASN CA . 50274 1 49 . 1 . 1 9 9 ASN CB C 13 38.880 0.02 . 1 . . . . . 9 ASN CB . 50274 1 50 . 1 . 1 9 9 ASN N N 15 121.812 0.02 . 1 . . . . . 9 ASN N . 50274 1 51 . 1 . 1 10 10 PHE H H 1 8.111 0.01 . 1 . . . . . 10 PHE HN . 50274 1 52 . 1 . 1 10 10 PHE HA H 1 4.617 0.02 . 1 . . . . . 10 PHE HA . 50274 1 53 . 1 . 1 10 10 PHE C C 13 175.390 0.02 . 1 . . . . . 10 PHE CO . 50274 1 54 . 1 . 1 10 10 PHE CA C 13 57.856 0.05 . 1 . . . . . 10 PHE CA . 50274 1 55 . 1 . 1 10 10 PHE CB C 13 38.320 0.08 . 1 . . . . . 10 PHE CB . 50274 1 56 . 1 . 1 10 10 PHE N N 15 121.010 0.02 . 1 . . . . . 10 PHE N . 50274 1 57 . 1 . 1 11 11 ILE H H 1 8.088 0.01 . 1 . . . . . 11 ILE HN . 50274 1 58 . 1 . 1 11 11 ILE HA H 1 4.137 0.02 . 1 . . . . . 11 ILE HA . 50274 1 59 . 1 . 1 11 11 ILE C C 13 175.900 0.02 . 1 . . . . . 11 ILE CO . 50274 1 60 . 1 . 1 11 11 ILE CA C 13 60.975 0.02 . 1 . . . . . 11 ILE CA . 50274 1 61 . 1 . 1 11 11 ILE CB C 13 38.490 0.08 . 1 . . . . . 11 ILE CB . 50274 1 62 . 1 . 1 11 11 ILE N N 15 123.200 0.02 . 1 . . . . . 11 ILE N . 50274 1 63 . 1 . 1 12 12 CYS H H 1 8.412 0.01 . 1 . . . . . 12 CYS HN . 50274 1 64 . 1 . 1 12 12 CYS HA H 1 4.432 0.00 . 1 . . . . . 12 CYS HA . 50274 1 65 . 1 . 1 12 12 CYS C C 13 175.000 0.02 . 1 . . . . . 12 CYS CO . 50274 1 66 . 1 . 1 12 12 CYS CA C 13 58.759 0.03 . 1 . . . . . 12 CYS CA . 50274 1 67 . 1 . 1 12 12 CYS CB C 13 27.540 0.10 . 1 . . . . . 12 CYS CB . 50274 1 68 . 1 . 1 12 12 CYS N N 15 123.569 0.02 . 1 . . . . . 12 CYS N . 50274 1 69 . 1 . 1 13 13 GLY H H 1 8.491 0.01 . 1 . . . . . 13 GLY HN . 50274 1 70 . 1 . 1 13 13 GLY HA2 H 1 3.960 0.02 . 1 . . . . . 13 GLY HA . 50274 1 71 . 1 . 1 13 13 GLY HA3 H 1 3.960 0.02 . 1 . . . . . 13 GLY HA . 50274 1 72 . 1 . 1 13 13 GLY C C 13 174.360 0.02 . 1 . . . . . 13 GLY CO . 50274 1 73 . 1 . 1 13 13 GLY CA C 13 45.380 0.07 . 1 . . . . . 13 GLY CA . 50274 1 74 . 1 . 1 13 13 GLY N N 15 111.810 0.02 . 1 . . . . . 13 GLY N . 50274 1 75 . 1 . 1 14 14 GLY H H 1 8.199 0.01 . 1 . . . . . 14 GLY HN . 50274 1 76 . 1 . 1 14 14 GLY HA2 H 1 3.944 0.02 . 1 . . . . . 14 GLY HA . 50274 1 77 . 1 . 1 14 14 GLY HA3 H 1 3.944 0.02 . 1 . . . . . 14 GLY HA . 50274 1 78 . 1 . 1 14 14 GLY C C 13 173.670 0.02 . 1 . . . . . 14 GLY CO . 50274 1 79 . 1 . 1 14 14 GLY CA C 13 44.991 0.02 . 1 . . . . . 14 GLY CA . 50274 1 80 . 1 . 1 14 14 GLY N N 15 108.431 0.02 . 1 . . . . . 14 GLY N . 50274 1 81 . 1 . 1 15 15 LEU H H 1 8.085 0.01 . 1 . . . . . 15 LEU HN . 50274 1 82 . 1 . 1 15 15 LEU HA H 1 4.612 0.02 . 1 . . . . . 15 LEU HA . 50274 1 83 . 1 . 1 15 15 LEU C C 13 175.540 0.02 . 1 . . . . . 15 LEU CO . 50274 1 84 . 1 . 1 15 15 LEU CA C 13 53.151 0.02 . 1 . . . . . 15 LEU CA . 50274 1 85 . 1 . 1 15 15 LEU CB C 13 41.630 0.08 . 1 . . . . . 15 LEU CB . 50274 1 86 . 1 . 1 15 15 LEU N N 15 122.699 0.02 . 1 . . . . . 15 LEU N . 50274 1 87 . 1 . 1 16 16 PRO C C 13 176.520 0.02 . 1 . . . . . 16 PRO CO . 50274 1 88 . 1 . 1 16 16 PRO CA C 13 63.288 0.04 . 1 . . . . . 16 PRO CA . 50274 1 89 . 1 . 1 16 16 PRO CB C 13 31.860 0.08 . 1 . . . . . 16 PRO CB . 50274 1 90 . 1 . 1 16 16 PRO N N 15 135.735 0.02 . 1 . . . . . 16 PRO N . 50274 1 91 . 1 . 1 17 17 ASN H H 1 8.443 0.01 . 1 . . . . . 17 ASN HN . 50274 1 92 . 1 . 1 17 17 ASN HA H 1 4.675 0.02 . 1 . . . . . 17 ASN HA . 50274 1 93 . 1 . 1 17 17 ASN C C 13 175.410 0.02 . 1 . . . . . 17 ASN CO . 50274 1 94 . 1 . 1 17 17 ASN CA C 13 53.100 0.04 . 1 . . . . . 17 ASN CA . 50274 1 95 . 1 . 1 17 17 ASN CB C 13 38.521 0.08 . 1 . . . . . 17 ASN CB . 50274 1 96 . 1 . 1 17 17 ASN N N 15 118.221 0.02 . 1 . . . . . 17 ASN N . 50274 1 97 . 1 . 1 18 18 LEU H H 1 8.267 0.01 . 1 . . . . . 18 LEU HN . 50274 1 98 . 1 . 1 18 18 LEU HA H 1 4.282 0.02 . 1 . . . . . 18 LEU HA . 50274 1 99 . 1 . 1 18 18 LEU C C 13 177.140 0.02 . 1 . . . . . 18 LEU CO . 50274 1 100 . 1 . 1 18 18 LEU CA C 13 55.350 0.04 . 1 . . . . . 18 LEU CA . 50274 1 101 . 1 . 1 18 18 LEU CB C 13 38.470 0.08 . 1 . . . . . 18 LEU CB . 50274 1 102 . 1 . 1 18 18 LEU N N 15 123.228 0.02 . 1 . . . . . 18 LEU N . 50274 1 103 . 1 . 1 19 19 ASN H H 1 8.354 0.01 . 1 . . . . . 19 ASN HN . 50274 1 104 . 1 . 1 19 19 ASN HA H 1 4.671 0.02 . 1 . . . . . 19 ASN HA . 50274 1 105 . 1 . 1 19 19 ASN C C 13 175.200 0.02 . 1 . . . . . 19 ASN CO . 50274 1 106 . 1 . 1 19 19 ASN CA C 13 53.650 0.05 . 1 . . . . . 19 ASN CA . 50274 1 107 . 1 . 1 19 19 ASN CB C 13 38.380 0.10 . 1 . . . . . 19 ASN CB . 50274 1 108 . 1 . 1 19 19 ASN N N 15 118.760 0.02 . 1 . . . . . 19 ASN N . 50274 1 109 . 1 . 1 20 20 LEU H H 1 8.064 0.01 . 1 . . . . . 20 LEU HN . 50274 1 110 . 1 . 1 20 20 LEU HA H 1 4.288 0.02 . 1 . . . . . 20 LEU HA . 50274 1 111 . 1 . 1 20 20 LEU C C 13 177.140 0.02 . 1 . . . . . 20 LEU CO . 50274 1 112 . 1 . 1 20 20 LEU CA C 13 55.350 0.04 . 1 . . . . . 20 LEU CA . 50274 1 113 . 1 . 1 20 20 LEU CB C 13 42.150 0.08 . 1 . . . . . 20 LEU CB . 50274 1 114 . 1 . 1 20 20 LEU N N 15 121.913 0.02 . 1 . . . . . 20 LEU N . 50274 1 115 . 1 . 1 21 21 ASN H H 1 8.431 0.01 . 1 . . . . . 21 ASN HN . 50274 1 116 . 1 . 1 21 21 ASN HA H 1 4.682 0.02 . 1 . . . . . 21 ASN HA . 50274 1 117 . 1 . 1 21 21 ASN C C 13 174.660 0.02 . 1 . . . . . 21 ASN CO . 50274 1 118 . 1 . 1 21 21 ASN CA C 13 53.323 0.04 . 1 . . . . . 21 ASN CA . 50274 1 119 . 1 . 1 21 21 ASN CB C 13 38.490 0.10 . 1 . . . . . 21 ASN CB . 50274 1 120 . 1 . 1 21 21 ASN N N 15 118.750 0.02 . 1 . . . . . 21 ASN N . 50274 1 121 . 1 . 1 22 22 LYS H H 1 8.110 0.01 . 1 . . . . . 22 LYS HN . 50274 1 122 . 1 . 1 22 22 LYS HA H 1 4.615 0.02 . 1 . . . . . 22 LYS HA . 50274 1 123 . 1 . 1 22 22 LYS C C 13 173.930 0.02 . 1 . . . . . 22 LYS CO . 50274 1 124 . 1 . 1 22 22 LYS CA C 13 54.290 0.02 . 1 . . . . . 22 LYS CA . 50274 1 125 . 1 . 1 22 22 LYS CB C 13 32.330 0.08 . 1 . . . . . 22 LYS CB . 50274 1 126 . 1 . 1 22 22 LYS N N 15 122.520 0.02 . 1 . . . . . 22 LYS N . 50274 1 127 . 1 . 1 23 23 PRO C C 13 174.850 0.02 . 1 . . . . . 23 PRO CO . 50274 1 128 . 1 . 1 23 23 PRO CA C 13 61.670 0.02 . 1 . . . . . 23 PRO CA . 50274 1 129 . 1 . 1 23 23 PRO CB C 13 30.670 0.02 . 1 . . . . . 23 PRO CB . 50274 1 130 . 1 . 1 23 23 PRO N N 15 138.580 0.02 . 1 . . . . . 23 PRO N . 50274 1 131 . 1 . 1 24 24 PRO C C 13 174.830 0.02 . 1 . . . . . 24 PRO CO . 50274 1 132 . 1 . 1 24 24 PRO CA C 13 63.090 0.05 . 1 . . . . . 24 PRO CA . 50274 1 133 . 1 . 1 24 24 PRO CB C 13 32.070 0.08 . 1 . . . . . 24 PRO CB . 50274 1 134 . 1 . 1 24 24 PRO N N 15 135.413 0.02 . 1 . . . . . 24 PRO N . 50274 1 135 . 1 . 1 25 25 GLN H H 1 8.462 0.01 . 1 . . . . . 25 GLN HN . 50274 1 136 . 1 . 1 25 25 GLN HA H 1 4.270 0.02 . 1 . . . . . 25 GLN HA . 50274 1 137 . 1 . 1 25 25 GLN C C 13 175.860 0.02 . 1 . . . . . 25 GLN CO . 50274 1 138 . 1 . 1 25 25 GLN CA C 13 55.950 0.05 . 1 . . . . . 25 GLN CA . 50274 1 139 . 1 . 1 25 25 GLN CB C 13 29.380 0.08 . 1 . . . . . 25 GLN CB . 50274 1 140 . 1 . 1 25 25 GLN N N 15 120.583 0.02 . 1 . . . . . 25 GLN N . 50274 1 141 . 1 . 1 26 26 LEU H H 1 8.281 0.02 . 1 . . . . . 26 LEU HN . 50274 1 142 . 1 . 1 26 26 LEU HA H 1 4.270 0.02 . 1 . . . . . 26 LEU HA . 50274 1 143 . 1 . 1 26 26 LEU C C 13 177.250 0.02 . 1 . . . . . 26 LEU CO . 50274 1 144 . 1 . 1 26 26 LEU CA C 13 55.210 0.02 . 1 . . . . . 26 LEU CA . 50274 1 145 . 1 . 1 26 26 LEU CB C 13 42.350 0.08 . 1 . . . . . 26 LEU CB . 50274 1 146 . 1 . 1 26 26 LEU N N 15 123.780 0.02 . 1 . . . . . 26 LEU N . 50274 1 147 . 1 . 1 27 27 HIS H H 1 8.622 0.01 . 1 . . . . . 27 HIS HN . 50274 1 148 . 1 . 1 27 27 HIS HA H 1 4.703 0.02 . 1 . . . . . 27 HIS HA . 50274 1 149 . 1 . 1 27 27 HIS C C 13 174.420 0.02 . 1 . . . . . 27 HIS CO . 50274 1 150 . 1 . 1 27 27 HIS CA C 13 55.330 0.05 . 1 . . . . . 27 HIS CA . 50274 1 151 . 1 . 1 27 27 HIS CB C 13 27.750 0.08 . 1 . . . . . 27 HIS CB . 50274 1 152 . 1 . 1 27 27 HIS N N 15 119.258 0.02 . 1 . . . . . 27 HIS N . 50274 1 153 . 1 . 1 28 28 GLN H H 1 8.484 0.01 . 1 . . . . . 28 GLN HN . 50274 1 154 . 1 . 1 28 28 GLN HA H 1 4.300 0.03 . 1 . . . . . 28 GLN HA . 50274 1 155 . 1 . 1 28 28 GLN C C 13 175.900 0.02 . 1 . . . . . 28 GLN CO . 50274 1 156 . 1 . 1 28 28 GLN CA C 13 56.110 0.04 . 1 . . . . . 28 GLN CA . 50274 1 157 . 1 . 1 28 28 GLN CB C 13 29.480 0.08 . 1 . . . . . 28 GLN CB . 50274 1 158 . 1 . 1 28 28 GLN N N 15 121.820 0.02 . 1 . . . . . 28 GLN N . 50274 1 159 . 1 . 1 29 29 GLN H H 1 8.537 0.01 . 1 . . . . . 29 GLN HN . 50274 1 160 . 1 . 1 29 29 GLN HA H 1 4.309 0.03 . 1 . . . . . 29 GLN HA . 50274 1 161 . 1 . 1 29 29 GLN C C 13 175.880 0.02 . 1 . . . . . 29 GLN CO . 50274 1 162 . 1 . 1 29 29 GLN CA C 13 56.010 0.04 . 1 . . . . . 29 GLN CA . 50274 1 163 . 1 . 1 29 29 GLN CB C 13 29.350 0.08 . 1 . . . . . 29 GLN CB . 50274 1 164 . 1 . 1 29 29 GLN N N 15 122.070 0.02 . 1 . . . . . 29 GLN N . 50274 1 165 . 1 . 1 30 30 GLN H H 1 8.596 0.01 . 1 . . . . . 30 GLN HN . 50274 1 166 . 1 . 1 30 30 GLN HA H 1 4.290 0.02 . 1 . . . . . 30 GLN HA . 50274 1 167 . 1 . 1 30 30 GLN C C 13 175.840 0.01 . 1 . . . . . 30 GLN CO . 50274 1 168 . 1 . 1 30 30 GLN CA C 13 55.950 0.04 . 1 . . . . . 30 GLN CA . 50274 1 169 . 1 . 1 30 30 GLN CB C 13 29.520 0.08 . 1 . . . . . 30 GLN CB . 50274 1 170 . 1 . 1 30 30 GLN N N 15 122.250 0.02 . 1 . . . . . 30 GLN N . 50274 1 171 . 1 . 1 31 31 HIS H H 1 8.650 0.01 . 1 . . . . . 31 HIS HN . 50274 1 172 . 1 . 1 31 31 HIS HA H 1 4.707 0.02 . 1 . . . . . 31 HIS HA . 50274 1 173 . 1 . 1 31 31 HIS C C 13 174.370 0.02 . 1 . . . . . 31 HIS CO . 50274 1 174 . 1 . 1 31 31 HIS CA C 13 55.350 0.06 . 1 . . . . . 31 HIS CA . 50274 1 175 . 1 . 1 31 31 HIS CB C 13 28.830 0.08 . 1 . . . . . 31 HIS CB . 50274 1 176 . 1 . 1 31 31 HIS N N 15 119.989 0.02 . 1 . . . . . 31 HIS N . 50274 1 177 . 1 . 1 32 32 GLN H H 1 8.538 0.01 . 1 . . . . . 32 GLN HN . 50274 1 178 . 1 . 1 32 32 GLN HA H 1 4.300 0.02 . 1 . . . . . 32 GLN HA . 50274 1 179 . 1 . 1 32 32 GLN C C 13 175.840 0.02 . 1 . . . . . 32 GLN CO . 50274 1 180 . 1 . 1 32 32 GLN CA C 13 56.100 0.10 . 1 . . . . . 32 GLN CA . 50274 1 181 . 1 . 1 32 32 GLN CB C 13 29.400 0.10 . 1 . . . . . 32 GLN CB . 50274 1 182 . 1 . 1 32 32 GLN N N 15 122.147 0.02 . 1 . . . . . 32 GLN N . 50274 1 183 . 1 . 1 33 33 GLN H H 1 8.550 0.06 . 1 . . . . . 33 GLN HN . 50274 1 184 . 1 . 1 33 33 GLN HA H 1 4.330 0.03 . 1 . . . . . 33 GLN HA . 50274 1 185 . 1 . 1 33 33 GLN C C 13 175.900 0.15 . 1 . . . . . 33 GLN CO . 50274 1 186 . 1 . 1 33 33 GLN CA C 13 56.200 0.10 . 1 . . . . . 33 GLN CA . 50274 1 187 . 1 . 1 33 33 GLN CB C 13 29.500 0.10 . 1 . . . . . 33 GLN CB . 50274 1 188 . 1 . 1 33 33 GLN N N 15 122.200 0.40 . 1 . . . . . 33 GLN N . 50274 1 189 . 1 . 1 34 34 GLN H H 1 8.590 0.05 . 1 . . . . . 34 GLN HN . 50274 1 190 . 1 . 1 34 34 GLN HA H 1 4.330 0.03 . 1 . . . . . 34 GLN HA . 50274 1 191 . 1 . 1 34 34 GLN C C 13 175.900 0.15 . 1 . . . . . 34 GLN CO . 50274 1 192 . 1 . 1 34 34 GLN CA C 13 56.200 0.10 . 1 . . . . . 34 GLN CA . 50274 1 193 . 1 . 1 34 34 GLN CB C 13 29.500 0.10 . 1 . . . . . 34 GLN CB . 50274 1 194 . 1 . 1 34 34 GLN N N 15 122.200 0.40 . 1 . . . . . 34 GLN N . 50274 1 195 . 1 . 1 35 35 HIS H H 1 8.666 0.01 . 1 . . . . . 35 HIS HN . 50274 1 196 . 1 . 1 35 35 HIS HA H 1 4.707 0.02 . 1 . . . . . 35 HIS HA . 50274 1 197 . 1 . 1 35 35 HIS C C 13 174.400 0.05 . 1 . . . . . 35 HIS CO . 50274 1 198 . 1 . 1 35 35 HIS CA C 13 55.400 0.04 . 1 . . . . . 35 HIS CA . 50274 1 199 . 1 . 1 35 35 HIS CB C 13 28.850 0.08 . 1 . . . . . 35 HIS CB . 50274 1 200 . 1 . 1 35 35 HIS N N 15 120.000 0.10 . 1 . . . . . 35 HIS N . 50274 1 201 . 1 . 1 36 36 GLN H H 1 8.550 0.01 . 1 . . . . . 36 GLN HN . 50274 1 202 . 1 . 1 36 36 GLN HA H 1 4.300 0.03 . 1 . . . . . 36 GLN HA . 50274 1 203 . 1 . 1 36 36 GLN C C 13 175.900 0.03 . 1 . . . . . 36 GLN CO . 50274 1 204 . 1 . 1 36 36 GLN CA C 13 56.050 0.10 . 1 . . . . . 36 GLN CA . 50274 1 205 . 1 . 1 36 36 GLN CB C 13 29.400 0.08 . 1 . . . . . 36 GLN CB . 50274 1 206 . 1 . 1 36 36 GLN N N 15 122.277 0.03 . 1 . . . . . 36 GLN N . 50274 1 207 . 1 . 1 37 37 GLN H H 1 8.590 0.02 . 1 . . . . . 37 GLN HN . 50274 1 208 . 1 . 1 37 37 GLN HA H 1 4.300 0.03 . 1 . . . . . 37 GLN HA . 50274 1 209 . 1 . 1 37 37 GLN C C 13 175.900 0.03 . 1 . . . . . 37 GLN CO . 50274 1 210 . 1 . 1 37 37 GLN CA C 13 56.200 0.10 . 1 . . . . . 37 GLN CA . 50274 1 211 . 1 . 1 37 37 GLN CB C 13 29.500 0.10 . 1 . . . . . 37 GLN CB . 50274 1 212 . 1 . 1 37 37 GLN N N 15 122.250 0.03 . 1 . . . . . 37 GLN N . 50274 1 213 . 1 . 1 38 38 HIS H H 1 8.660 0.01 . 1 . . . . . 38 HIS HN . 50274 1 214 . 1 . 1 38 38 HIS HA H 1 4.640 0.02 . 1 . . . . . 38 HIS HA . 50274 1 215 . 1 . 1 38 38 HIS C C 13 174.400 0.05 . 1 . . . . . 38 HIS CO . 50274 1 216 . 1 . 1 38 38 HIS CA C 13 55.400 0.04 . 1 . . . . . 38 HIS CA . 50274 1 217 . 1 . 1 38 38 HIS CB C 13 28.850 0.08 . 1 . . . . . 38 HIS CB . 50274 1 218 . 1 . 1 38 38 HIS N N 15 120.000 0.10 . 1 . . . . . 38 HIS N . 50274 1 219 . 1 . 1 39 39 GLN H H 1 8.550 0.02 . 1 . . . . . 39 GLN HN . 50274 1 220 . 1 . 1 39 39 GLN HA H 1 4.300 0.03 . 1 . . . . . 39 GLN HA . 50274 1 221 . 1 . 1 39 39 GLN C C 13 175.900 0.03 . 1 . . . . . 39 GLN CO . 50274 1 222 . 1 . 1 39 39 GLN CA C 13 56.100 0.01 . 1 . . . . . 39 GLN CA . 50274 1 223 . 1 . 1 39 39 GLN CB C 13 29.400 0.01 . 1 . . . . . 39 GLN CB . 50274 1 224 . 1 . 1 39 39 GLN N N 15 122.300 0.03 . 1 . . . . . 39 GLN N . 50274 1 225 . 1 . 1 40 40 GLN H H 1 8.590 0.02 . 1 . . . . . 40 GLN HN . 50274 1 226 . 1 . 1 40 40 GLN HA H 1 4.330 0.03 . 1 . . . . . 40 GLN HA . 50274 1 227 . 1 . 1 40 40 GLN C C 13 175.900 0.03 . 1 . . . . . 40 GLN CO . 50274 1 228 . 1 . 1 40 40 GLN CA C 13 56.200 0.01 . 1 . . . . . 40 GLN CA . 50274 1 229 . 1 . 1 40 40 GLN CB C 13 29.500 0.01 . 1 . . . . . 40 GLN CB . 50274 1 230 . 1 . 1 40 40 GLN N N 15 120.000 0.03 . 1 . . . . . 40 GLN N . 50274 1 231 . 1 . 1 41 41 HIS H H 1 8.660 0.01 . 1 . . . . . 41 HIS HN . 50274 1 232 . 1 . 1 41 41 HIS HA H 1 4.640 0.02 . 1 . . . . . 41 HIS HA . 50274 1 233 . 1 . 1 41 41 HIS C C 13 174.400 0.05 . 1 . . . . . 41 HIS CO . 50274 1 234 . 1 . 1 41 41 HIS CA C 13 55.400 0.04 . 1 . . . . . 41 HIS CA . 50274 1 235 . 1 . 1 41 41 HIS CB C 13 28.850 0.08 . 1 . . . . . 41 HIS CB . 50274 1 236 . 1 . 1 41 41 HIS N N 15 120.000 0.10 . 1 . . . . . 41 HIS N . 50274 1 237 . 1 . 1 42 42 GLN H H 1 8.550 0.02 . 1 . . . . . 42 GLN HN . 50274 1 238 . 1 . 1 42 42 GLN HA H 1 4.300 0.05 . 1 . . . . . 42 GLN HA . 50274 1 239 . 1 . 1 42 42 GLN C C 13 175.900 0.00 . 1 . . . . . 42 GLN CO . 50274 1 240 . 1 . 1 42 42 GLN CA C 13 56.050 0.05 . 1 . . . . . 42 GLN CA . 50274 1 241 . 1 . 1 42 42 GLN CB C 13 29.400 0.08 . 1 . . . . . 42 GLN CB . 50274 1 242 . 1 . 1 42 42 GLN N N 15 122.300 0.08 . 1 . . . . . 42 GLN N . 50274 1 243 . 1 . 1 43 43 GLN H H 1 8.520 0.05 . 1 . . . . . 43 GLN HN . 50274 1 244 . 1 . 1 43 43 GLN HA H 1 4.330 0.03 . 1 . . . . . 43 GLN HA . 50274 1 245 . 1 . 1 43 43 GLN C C 13 175.900 0.03 . 1 . . . . . 43 GLN CO . 50274 1 246 . 1 . 1 43 43 GLN CA C 13 56.200 0.01 . 1 . . . . . 43 GLN CA . 50274 1 247 . 1 . 1 43 43 GLN CB C 13 29.500 0.01 . 1 . . . . . 43 GLN CB . 50274 1 248 . 1 . 1 43 43 GLN N N 15 120.200 0.03 . 1 . . . . . 43 GLN N . 50274 1 249 . 1 . 1 44 44 GLN H H 1 8.520 0.05 . 1 . . . . . 44 GLN HN . 50274 1 250 . 1 . 1 44 44 GLN HA H 1 4.330 0.03 . 1 . . . . . 44 GLN HA . 50274 1 251 . 1 . 1 44 44 GLN C C 13 175.900 0.03 . 1 . . . . . 44 GLN CO . 50274 1 252 . 1 . 1 44 44 GLN CA C 13 56.200 0.01 . 1 . . . . . 44 GLN CA . 50274 1 253 . 1 . 1 44 44 GLN CB C 13 29.500 0.01 . 1 . . . . . 44 GLN CB . 50274 1 254 . 1 . 1 44 44 GLN N N 15 120.200 0.03 . 1 . . . . . 44 GLN N . 50274 1 255 . 1 . 1 45 45 GLN H H 1 8.520 0.05 . 1 . . . . . 45 GLN HN . 50274 1 256 . 1 . 1 45 45 GLN HA H 1 4.330 0.03 . 1 . . . . . 45 GLN HA . 50274 1 257 . 1 . 1 45 45 GLN C C 13 175.900 0.03 . 1 . . . . . 45 GLN CO . 50274 1 258 . 1 . 1 45 45 GLN CA C 13 56.200 0.01 . 1 . . . . . 45 GLN CA . 50274 1 259 . 1 . 1 45 45 GLN CB C 13 29.500 0.01 . 1 . . . . . 45 GLN CB . 50274 1 260 . 1 . 1 45 45 GLN N N 15 120.200 0.03 . 1 . . . . . 45 GLN N . 50274 1 261 . 1 . 1 46 46 GLN H H 1 8.520 0.05 . 1 . . . . . 46 GLN HN . 50274 1 262 . 1 . 1 46 46 GLN HA H 1 4.330 0.03 . 1 . . . . . 46 GLN HA . 50274 1 263 . 1 . 1 46 46 GLN C C 13 175.870 0.03 . 1 . . . . . 46 GLN CO . 50274 1 264 . 1 . 1 46 46 GLN CA C 13 56.200 0.01 . 1 . . . . . 46 GLN CA . 50274 1 265 . 1 . 1 46 46 GLN CB C 13 29.500 0.01 . 1 . . . . . 46 GLN CB . 50274 1 266 . 1 . 1 46 46 GLN N N 15 120.200 0.03 . 1 . . . . . 46 GLN N . 50274 1 267 . 1 . 1 47 47 LEU H H 1 8.265 0.01 . 1 . . . . . 47 LEU HN . 50274 1 268 . 1 . 1 47 47 LEU HA H 1 4.295 0.02 . 1 . . . . . 47 LEU HA . 50274 1 269 . 1 . 1 47 47 LEU C C 13 177.250 0.02 . 1 . . . . . 47 LEU CO . 50274 1 270 . 1 . 1 47 47 LEU CA C 13 55.330 0.04 . 1 . . . . . 47 LEU CA . 50274 1 271 . 1 . 1 47 47 LEU CB C 13 42.375 0.08 . 1 . . . . . 47 LEU CB . 50274 1 272 . 1 . 1 47 47 LEU N N 15 123.315 0.02 . 1 . . . . . 47 LEU N . 50274 1 273 . 1 . 1 48 48 HIS H H 1 8.559 0.01 . 1 . . . . . 48 HIS HN . 50274 1 274 . 1 . 1 48 48 HIS HA H 1 4.680 0.02 . 1 . . . . . 48 HIS HA . 50274 1 275 . 1 . 1 48 48 HIS C C 13 174.400 0.02 . 1 . . . . . 48 HIS CO . 50274 1 276 . 1 . 1 48 48 HIS CA C 13 55.090 0.04 . 1 . . . . . 48 HIS CA . 50274 1 277 . 1 . 1 48 48 HIS CB C 13 28.680 0.08 . 1 . . . . . 48 HIS CB . 50274 1 278 . 1 . 1 48 48 HIS N N 15 118.862 0.02 . 1 . . . . . 48 HIS N . 50274 1 279 . 1 . 1 49 49 GLN H H 1 8.436 0.01 . 1 . . . . . 49 GLN HN . 50274 1 280 . 1 . 1 49 49 GLN HA H 1 4.313 0.02 . 1 . . . . . 49 GLN HA . 50274 1 281 . 1 . 1 49 49 GLN C C 13 175.890 0.02 . 1 . . . . . 49 GLN CO . 50274 1 282 . 1 . 1 49 49 GLN CA C 13 56.090 0.09 . 1 . . . . . 49 GLN CA . 50274 1 283 . 1 . 1 49 49 GLN CB C 13 29.560 0.08 . 1 . . . . . 49 GLN CB . 50274 1 284 . 1 . 1 49 49 GLN N N 15 121.270 0.02 . 1 . . . . . 49 GLN N . 50274 1 285 . 1 . 1 50 50 HIS H H 1 8.703 0.01 . 1 . . . . . 50 HIS HN . 50274 1 286 . 1 . 1 50 50 HIS HA H 1 4.696 0.02 . 1 . . . . . 50 HIS HA . 50274 1 287 . 1 . 1 50 50 HIS C C 13 174.360 0.02 . 1 . . . . . 50 HIS CO . 50274 1 288 . 1 . 1 50 50 HIS CA C 13 55.420 0.10 . 1 . . . . . 50 HIS CA . 50274 1 289 . 1 . 1 50 50 HIS CB C 13 28.920 0.08 . 1 . . . . . 50 HIS CB . 50274 1 290 . 1 . 1 50 50 HIS N N 15 119.999 0.02 . 1 . . . . . 50 HIS N . 50274 1 291 . 1 . 1 51 51 GLN H H 1 8.505 0.01 . 1 . . . . . 51 GLN HN . 50274 1 292 . 1 . 1 51 51 GLN HA H 1 4.310 0.02 . 1 . . . . . 51 GLN HA . 50274 1 293 . 1 . 1 51 51 GLN C C 13 175.790 0.02 . 1 . . . . . 51 GLN CO . 50274 1 294 . 1 . 1 51 51 GLN CA C 13 56.100 0.10 . 1 . . . . . 51 GLN CA . 50274 1 295 . 1 . 1 51 51 GLN CB C 13 29.500 0.08 . 1 . . . . . 51 GLN CB . 50274 1 296 . 1 . 1 51 51 GLN N N 15 122.338 0.02 . 1 . . . . . 51 GLN N . 50274 1 297 . 1 . 1 52 52 GLN H H 1 8.595 0.01 . 1 . . . . . 52 GLN HN . 50274 1 298 . 1 . 1 52 52 GLN HA H 1 4.300 0.03 . 1 . . . . . 52 GLN HA . 50274 1 299 . 1 . 1 52 52 GLN C C 13 175.760 0.02 . 1 . . . . . 52 GLN CO . 50274 1 300 . 1 . 1 52 52 GLN CA C 13 56.033 0.02 . 1 . . . . . 52 GLN CA . 50274 1 301 . 1 . 1 52 52 GLN CB C 13 29.480 0.08 . 1 . . . . . 52 GLN CB . 50274 1 302 . 1 . 1 52 52 GLN N N 15 122.340 0.02 . 1 . . . . . 52 GLN N . 50274 1 303 . 1 . 1 53 53 GLN H H 1 8.538 0.01 . 1 . . . . . 53 GLN HN . 50274 1 304 . 1 . 1 53 53 GLN HA H 1 4.300 0.02 . 1 . . . . . 53 GLN HA . 50274 1 305 . 1 . 1 53 53 GLN C C 13 175.670 0.02 . 1 . . . . . 53 GLN CO . 50274 1 306 . 1 . 1 53 53 GLN CA C 13 55.660 0.04 . 1 . . . . . 53 GLN CA . 50274 1 307 . 1 . 1 53 53 GLN CB C 13 29.430 0.08 . 1 . . . . . 53 GLN CB . 50274 1 308 . 1 . 1 53 53 GLN N N 15 122.523 0.02 . 1 . . . . . 53 GLN N . 50274 1 309 . 1 . 1 54 54 LEU H H 1 8.418 0.01 . 1 . . . . . 54 LEU HN . 50274 1 310 . 1 . 1 54 54 LEU HA H 1 4.387 0.02 . 1 . . . . . 54 LEU HA . 50274 1 311 . 1 . 1 54 54 LEU C C 13 177.140 0.02 . 1 . . . . . 54 LEU CO . 50274 1 312 . 1 . 1 54 54 LEU CA C 13 54.910 0.04 . 1 . . . . . 54 LEU CA . 50274 1 313 . 1 . 1 54 54 LEU CB C 13 42.450 0.08 . 1 . . . . . 54 LEU CB . 50274 1 314 . 1 . 1 54 54 LEU N N 15 124.543 0.02 . 1 . . . . . 54 LEU N . 50274 1 315 . 1 . 1 55 55 SER H H 1 8.393 0.01 . 1 . . . . . 55 SER HN . 50274 1 316 . 1 . 1 55 55 SER HA H 1 4.730 0.02 . 1 . . . . . 55 SER HA . 50274 1 317 . 1 . 1 55 55 SER C C 13 173.040 0.02 . 1 . . . . . 55 SER CO . 50274 1 318 . 1 . 1 55 55 SER CA C 13 56.350 0.04 . 1 . . . . . 55 SER CA . 50274 1 319 . 1 . 1 55 55 SER CB C 13 63.530 0.08 . 1 . . . . . 55 SER CB . 50274 1 320 . 1 . 1 55 55 SER N N 15 118.310 0.02 . 1 . . . . . 55 SER N . 50274 1 321 . 1 . 1 56 56 PRO C C 13 176.680 0.02 . 1 . . . . . 56 PRO CO . 50274 1 322 . 1 . 1 56 56 PRO CA C 13 63.530 0.04 . 1 . . . . . 56 PRO CA . 50274 1 323 . 1 . 1 56 56 PRO CB C 13 31.970 0.08 . 1 . . . . . 56 PRO CB . 50274 1 324 . 1 . 1 56 56 PRO N N 15 137.896 0.02 . 1 . . . . . 56 PRO N . 50274 1 325 . 1 . 1 57 57 ASN H H 1 8.475 0.01 . 1 . . . . . 57 ASN HN . 50274 1 326 . 1 . 1 57 57 ASN HA H 1 4.660 0.02 . 1 . . . . . 57 ASN HA . 50274 1 327 . 1 . 1 57 57 ASN C C 13 175.720 0.02 . 1 . . . . . 57 ASN CO . 50274 1 328 . 1 . 1 57 57 ASN CA C 13 53.310 0.04 . 1 . . . . . 57 ASN CA . 50274 1 329 . 1 . 1 57 57 ASN CB C 13 38.210 0.08 . 1 . . . . . 57 ASN CB . 50274 1 330 . 1 . 1 57 57 ASN N N 15 118.402 0.02 . 1 . . . . . 57 ASN N . 50274 1 331 . 1 . 1 58 58 LEU H H 1 8.250 0.01 . 1 . . . . . 58 LEU HN . 50274 1 332 . 1 . 1 58 58 LEU HA H 1 4.290 0.02 . 1 . . . . . 58 LEU HA . 50274 1 333 . 1 . 1 58 58 LEU C C 13 178.130 0.02 . 1 . . . . . 58 LEU CO . 50274 1 334 . 1 . 1 58 58 LEU CA C 13 55.860 0.04 . 1 . . . . . 58 LEU CA . 50274 1 335 . 1 . 1 58 58 LEU CB C 13 41.890 0.08 . 1 . . . . . 58 LEU CB . 50274 1 336 . 1 . 1 58 58 LEU N N 15 123.272 0.02 . 1 . . . . . 58 LEU N . 50274 1 337 . 1 . 1 59 59 SER H H 1 8.250 0.01 . 1 . . . . . 59 SER HN . 50274 1 338 . 1 . 1 59 59 SER HA H 1 4.330 0.02 . 1 . . . . . 59 SER HA . 50274 1 339 . 1 . 1 59 59 SER C C 13 175.120 0.02 . 1 . . . . . 59 SER CO . 50274 1 340 . 1 . 1 59 59 SER CA C 13 59.460 0.05 . 1 . . . . . 59 SER CA . 50274 1 341 . 1 . 1 59 59 SER CB C 13 63.570 0.08 . 1 . . . . . 59 SER CB . 50274 1 342 . 1 . 1 59 59 SER N N 15 115.834 0.02 . 1 . . . . . 59 SER N . 50274 1 343 . 1 . 1 60 60 ALA H H 1 8.117 0.01 . 1 . . . . . 60 ALA HN . 50274 1 344 . 1 . 1 60 60 ALA HA H 1 4.230 0.02 . 1 . . . . . 60 ALA HA . 50274 1 345 . 1 . 1 60 60 ALA C C 13 178.090 0.02 . 1 . . . . . 60 ALA CO . 50274 1 346 . 1 . 1 60 60 ALA CA C 13 52.990 0.04 . 1 . . . . . 60 ALA CA . 50274 1 347 . 1 . 1 60 60 ALA CB C 13 18.750 0.08 . 1 . . . . . 60 ALA CB . 50274 1 348 . 1 . 1 60 60 ALA N N 15 124.986 0.01 . 1 . . . . . 60 ALA N . 50274 1 349 . 1 . 1 61 61 LEU H H 1 7.830 0.01 . 1 . . . . . 61 LEU HN . 50274 1 350 . 1 . 1 61 61 LEU HA H 1 4.171 0.02 . 1 . . . . . 61 LEU HA . 50274 1 351 . 1 . 1 61 61 LEU C C 13 177.500 0.02 . 1 . . . . . 61 LEU CO . 50274 1 352 . 1 . 1 61 61 LEU CA C 13 55.634 0.04 . 1 . . . . . 61 LEU CA . 50274 1 353 . 1 . 1 61 61 LEU CB C 13 41.990 0.08 . 1 . . . . . 61 LEU CB . 50274 1 354 . 1 . 1 61 61 LEU N N 15 119.385 0.02 . 1 . . . . . 61 LEU N . 50274 1 355 . 1 . 1 62 62 HIS H H 1 8.216 0.01 . 1 . . . . . 62 HIS HN . 50274 1 356 . 1 . 1 62 62 HIS HA H 1 4.640 0.02 . 1 . . . . . 62 HIS HA . 50274 1 357 . 1 . 1 62 62 HIS C C 13 174.430 0.02 . 1 . . . . . 62 HIS CO . 50274 1 358 . 1 . 1 62 62 HIS CA C 13 55.109 0.03 . 1 . . . . . 62 HIS CA . 50274 1 359 . 1 . 1 62 62 HIS CB C 13 28.670 0.08 . 1 . . . . . 62 HIS CB . 50274 1 360 . 1 . 1 62 62 HIS N N 15 117.472 0.02 . 1 . . . . . 62 HIS N . 50274 1 361 . 1 . 1 63 63 HIS H H 1 8.370 0.01 . 1 . . . . . 63 HIS HN . 50274 1 362 . 1 . 1 63 63 HIS HA H 1 4.590 0.02 . 1 . . . . . 63 HIS HA . 50274 1 363 . 1 . 1 63 63 HIS C C 13 174.463 0.02 . 1 . . . . . 63 HIS CO . 50274 1 364 . 1 . 1 63 63 HIS CA C 13 55.430 0.04 . 1 . . . . . 63 HIS CA . 50274 1 365 . 1 . 1 63 63 HIS CB C 13 29.090 0.08 . 1 . . . . . 63 HIS CB . 50274 1 366 . 1 . 1 63 63 HIS N N 15 118.954 0.02 . 1 . . . . . 63 HIS N . 50274 1 367 . 1 . 1 64 64 HIS H H 1 8.630 0.01 . 1 . . . . . 64 HIS HN . 50274 1 368 . 1 . 1 64 64 HIS HA H 1 4.734 0.02 . 1 . . . . . 64 HIS HA . 50274 1 369 . 1 . 1 64 64 HIS C C 13 174.290 0.02 . 1 . . . . . 64 HIS CO . 50274 1 370 . 1 . 1 64 64 HIS CA C 13 55.590 0.04 . 1 . . . . . 64 HIS CA . 50274 1 371 . 1 . 1 64 64 HIS CB C 13 29.090 0.08 . 1 . . . . . 64 HIS CB . 50274 1 372 . 1 . 1 64 64 HIS N N 15 120.045 0.02 . 1 . . . . . 64 HIS N . 50274 1 373 . 1 . 1 65 65 HIS H H 1 8.690 0.01 . 1 . . . . . 65 HIS HN . 50274 1 374 . 1 . 1 65 65 HIS HA H 1 4.640 0.02 . 1 . . . . . 65 HIS HA . 50274 1 375 . 1 . 1 65 65 HIS C C 13 174.308 0.02 . 1 . . . . . 65 HIS CO . 50274 1 376 . 1 . 1 65 65 HIS CA C 13 55.700 0.05 . 1 . . . . . 65 HIS CA . 50274 1 377 . 1 . 1 65 65 HIS CB C 13 28.931 0.08 . 1 . . . . . 65 HIS CB . 50274 1 378 . 1 . 1 65 65 HIS N N 15 120.890 0.03 . 1 . . . . . 65 HIS N . 50274 1 379 . 1 . 1 66 66 GLN H H 1 8.570 0.01 . 1 . . . . . 66 GLN HN . 50274 1 380 . 1 . 1 66 66 GLN HA H 1 4.230 0.02 . 1 . . . . . 66 GLN HA . 50274 1 381 . 1 . 1 66 66 GLN C C 13 175.730 0.02 . 1 . . . . . 66 GLN CO . 50274 1 382 . 1 . 1 66 66 GLN CA C 13 55.990 0.04 . 1 . . . . . 66 GLN CA . 50274 1 383 . 1 . 1 66 66 GLN CB C 13 29.440 0.08 . 1 . . . . . 66 GLN CB . 50274 1 384 . 1 . 1 66 66 GLN N N 15 122.902 0.02 . 1 . . . . . 66 GLN N . 50274 1 385 . 1 . 1 67 67 GLN H H 1 8.588 0.01 . 1 . . . . . 67 GLN HN . 50274 1 386 . 1 . 1 67 67 GLN HA H 1 4.300 0.02 . 1 . . . . . 67 GLN HA . 50274 1 387 . 1 . 1 67 67 GLN C C 13 175.920 0.02 . 1 . . . . . 67 GLN CO . 50274 1 388 . 1 . 1 67 67 GLN CA C 13 56.090 0.05 . 1 . . . . . 67 GLN CA . 50274 1 389 . 1 . 1 67 67 GLN CB C 13 29.430 0.08 . 1 . . . . . 67 GLN CB . 50274 1 390 . 1 . 1 67 67 GLN N N 15 122.658 0.02 . 1 . . . . . 67 GLN N . 50274 1 391 . 1 . 1 68 68 GLN H H 1 8.543 0.01 . 1 . . . . . 68 GLN HN . 50274 1 392 . 1 . 1 68 68 GLN HA H 1 4.310 0.02 . 1 . . . . . 68 GLN HA . 50274 1 393 . 1 . 1 68 68 GLN C C 13 175.952 0.02 . 1 . . . . . 68 GLN CO . 50274 1 394 . 1 . 1 68 68 GLN CA C 13 56.110 0.04 . 1 . . . . . 68 GLN CA . 50274 1 395 . 1 . 1 68 68 GLN N N 15 122.250 0.03 . 1 . . . . . 68 GLN N . 50274 1 396 . 1 . 1 69 69 GLN H H 1 8.519 0.01 . 1 . . . . . 69 GLN HN . 50274 1 397 . 1 . 1 69 69 GLN HA H 1 4.306 0.02 . 1 . . . . . 69 GLN HA . 50274 1 398 . 1 . 1 69 69 GLN C C 13 175.950 0.02 . 1 . . . . . 69 GLN CO . 50274 1 399 . 1 . 1 69 69 GLN CA C 13 56.150 0.04 . 1 . . . . . 69 GLN CA . 50274 1 400 . 1 . 1 69 69 GLN CB C 13 29.480 0.08 . 1 . . . . . 69 GLN CB . 50274 1 401 . 1 . 1 69 69 GLN N N 15 121.934 0.02 . 1 . . . . . 69 GLN N . 50274 1 402 . 1 . 1 70 70 GLN H H 1 8.581 0.01 . 1 . . . . . 70 GLN HN . 50274 1 403 . 1 . 1 70 70 GLN HA H 1 4.300 0.02 . 1 . . . . . 70 GLN HA . 50274 1 404 . 1 . 1 70 70 GLN C C 13 175.907 0.02 . 1 . . . . . 70 GLN CO . 50274 1 405 . 1 . 1 70 70 GLN CA C 13 55.960 0.04 . 1 . . . . . 70 GLN CA . 50274 1 406 . 1 . 1 70 70 GLN CB C 13 29.330 0.08 . 1 . . . . . 70 GLN CB . 50274 1 407 . 1 . 1 70 70 GLN N N 15 122.251 0.02 . 1 . . . . . 70 GLN N . 50274 1 408 . 1 . 1 71 71 LEU H H 1 8.337 0.01 . 1 . . . . . 71 LEU HN . 50274 1 409 . 1 . 1 71 71 LEU HA H 1 4.330 0.02 . 1 . . . . . 71 LEU HA . 50274 1 410 . 1 . 1 71 71 LEU C C 13 177.320 0.02 . 1 . . . . . 71 LEU CO . 50274 1 411 . 1 . 1 71 71 LEU CA C 13 55.460 0.04 . 1 . . . . . 71 LEU CA . 50274 1 412 . 1 . 1 71 71 LEU CB C 13 42.280 0.08 . 1 . . . . . 71 LEU CB . 50274 1 413 . 1 . 1 71 71 LEU N N 15 124.002 0.02 . 1 . . . . . 71 LEU N . 50274 1 414 . 1 . 1 72 72 ARG H H 1 8.372 0.01 . 1 . . . . . 72 ARG HN . 50274 1 415 . 1 . 1 72 72 ARG HA H 1 4.331 0.02 . 1 . . . . . 72 ARG HA . 50274 1 416 . 1 . 1 72 72 ARG C C 13 176.310 0.02 . 1 . . . . . 72 ARG CO . 50274 1 417 . 1 . 1 72 72 ARG CA C 13 56.160 0.04 . 1 . . . . . 72 ARG CA . 50274 1 418 . 1 . 1 72 72 ARG CB C 13 30.510 0.08 . 1 . . . . . 72 ARG CB . 50274 1 419 . 1 . 1 72 72 ARG N N 15 121.978 0.02 . 1 . . . . . 72 ARG N . 50274 1 420 . 1 . 1 73 73 GLU H H 1 8.470 0.01 . 1 . . . . . 73 GLU HN . 50274 1 421 . 1 . 1 73 73 GLU HA H 1 4.330 0.02 . 1 . . . . . 73 GLU HA . 50274 1 422 . 1 . 1 73 73 GLU C C 13 176.500 0.02 . 1 . . . . . 73 GLU CO . 50274 1 423 . 1 . 1 73 73 GLU CA C 13 56.390 0.04 . 1 . . . . . 73 GLU CA . 50274 1 424 . 1 . 1 73 73 GLU CB C 13 29.710 0.08 . 1 . . . . . 73 GLU CB . 50274 1 425 . 1 . 1 73 73 GLU N N 15 122.184 0.01 . 1 . . . . . 73 GLU N . 50274 1 426 . 1 . 1 74 74 SER H H 1 8.458 0.01 . 1 . . . . . 74 SER HN . 50274 1 427 . 1 . 1 74 74 SER HA H 1 4.460 0.02 . 1 . . . . . 74 SER HA . 50274 1 428 . 1 . 1 74 74 SER C C 13 175.200 0.02 . 1 . . . . . 74 SER CO . 50274 1 429 . 1 . 1 74 74 SER CA C 13 58.520 0.04 . 1 . . . . . 74 SER CA . 50274 1 430 . 1 . 1 74 74 SER CB C 13 64.030 0.08 . 1 . . . . . 74 SER CB . 50274 1 431 . 1 . 1 74 74 SER N N 15 117.186 0.02 . 1 . . . . . 74 SER N . 50274 1 432 . 1 . 1 75 75 GLY H H 1 8.514 0.01 . 1 . . . . . 75 GLY HN . 50274 1 433 . 1 . 1 75 75 GLY HA2 H 1 4.011 0.02 . 1 . . . . . 75 GLY HA . 50274 1 434 . 1 . 1 75 75 GLY HA3 H 1 4.011 0.02 . 1 . . . . . 75 GLY HA . 50274 1 435 . 1 . 1 75 75 GLY C C 13 174.740 0.02 . 1 . . . . . 75 GLY CO . 50274 1 436 . 1 . 1 75 75 GLY CA C 13 45.490 0.04 . 1 . . . . . 75 GLY CA . 50274 1 437 . 1 . 1 75 75 GLY N N 15 110.974 0.01 . 1 . . . . . 75 GLY N . 50274 1 438 . 1 . 1 76 76 GLY H H 1 8.300 0.01 . 1 . . . . . 76 GLY HN . 50274 1 439 . 1 . 1 76 76 GLY HA2 H 1 3.985 0.02 . 1 . . . . . 76 GLY HA . 50274 1 440 . 1 . 1 76 76 GLY HA3 H 1 3.985 0.02 . 1 . . . . . 76 GLY HA . 50274 1 441 . 1 . 1 76 76 GLY C C 13 174.280 0.02 . 1 . . . . . 76 GLY CO . 50274 1 442 . 1 . 1 76 76 GLY CA C 13 45.190 0.04 . 1 . . . . . 76 GLY CA . 50274 1 443 . 1 . 1 76 76 GLY N N 15 108.619 0.02 . 1 . . . . . 76 GLY N . 50274 1 444 . 1 . 1 77 77 SER H H 1 8.261 0.01 . 1 . . . . . 77 SER HN . 50274 1 445 . 1 . 1 77 77 SER HA H 1 4.396 0.02 . 1 . . . . . 77 SER HA . 50274 1 446 . 1 . 1 77 77 SER C C 13 174.490 0.02 . 1 . . . . . 77 SER CO . 50274 1 447 . 1 . 1 77 77 SER CA C 13 58.375 0.04 . 1 . . . . . 77 SER CA . 50274 1 448 . 1 . 1 77 77 SER CB C 13 63.631 0.08 . 1 . . . . . 77 SER CB . 50274 1 449 . 1 . 1 77 77 SER N N 15 115.464 0.01 . 1 . . . . . 77 SER N . 50274 1 450 . 1 . 1 78 78 HIS H H 1 8.593 0.01 . 1 . . . . . 78 HIS HN . 50274 1 451 . 1 . 1 78 78 HIS HA H 1 4.770 0.02 . 1 . . . . . 78 HIS HA . 50274 1 452 . 1 . 1 78 78 HIS C C 13 174.160 0.02 . 1 . . . . . 78 HIS CO . 50274 1 453 . 1 . 1 78 78 HIS CA C 13 55.106 0.04 . 1 . . . . . 78 HIS CA . 50274 1 454 . 1 . 1 78 78 HIS CB C 13 28.618 0.08 . 1 . . . . . 78 HIS CB . 50274 1 455 . 1 . 1 78 78 HIS N N 15 120.240 0.02 . 1 . . . . . 78 HIS N . 50274 1 456 . 1 . 1 79 79 SER H H 1 8.424 0.01 . 1 . . . . . 79 SER HN . 50274 1 457 . 1 . 1 79 79 SER HA H 1 4.730 0.02 . 1 . . . . . 79 SER HA . 50274 1 458 . 1 . 1 79 79 SER C C 13 172.880 0.02 . 1 . . . . . 79 SER CO . 50274 1 459 . 1 . 1 79 79 SER CA C 13 56.511 0.04 . 1 . . . . . 79 SER CA . 50274 1 460 . 1 . 1 79 79 SER CB C 13 63.318 0.08 . 1 . . . . . 79 SER CB . 50274 1 461 . 1 . 1 79 79 SER N N 15 118.801 0.02 . 1 . . . . . 79 SER N . 50274 1 462 . 1 . 1 80 80 PRO C C 13 176.980 0.02 . 1 . . . . . 80 PRO CO . 50274 1 463 . 1 . 1 80 80 PRO CA C 13 63.511 0.02 . 1 . . . . . 80 PRO CA . 50274 1 464 . 1 . 1 80 80 PRO CB C 13 31.890 0.08 . 1 . . . . . 80 PRO CB . 50274 1 465 . 1 . 1 80 80 PRO N N 15 138.151 0.02 . 1 . . . . . 80 PRO N . 50274 1 466 . 1 . 1 81 81 SER H H 1 8.376 0.01 . 1 . . . . . 81 SER HN . 50274 1 467 . 1 . 1 81 81 SER HA H 1 4.460 0.02 . 1 . . . . . 81 SER HA . 50274 1 468 . 1 . 1 81 81 SER C C 13 174.270 0.02 . 1 . . . . . 81 SER CO . 50274 1 469 . 1 . 1 81 81 SER CA C 13 58.305 0.04 . 1 . . . . . 81 SER CA . 50274 1 470 . 1 . 1 81 81 SER CB C 13 63.940 0.08 . 1 . . . . . 81 SER CB . 50274 1 471 . 1 . 1 81 81 SER N N 15 115.499 0.01 . 1 . . . . . 81 SER N . 50274 1 472 . 1 . 1 82 82 SER H H 1 8.246 0.01 . 1 . . . . . 82 SER HN . 50274 1 473 . 1 . 1 82 82 SER HA H 1 4.780 0.02 . 1 . . . . . 82 SER HA . 50274 1 474 . 1 . 1 82 82 SER C C 13 172.840 0.02 . 1 . . . . . 82 SER CO . 50274 1 475 . 1 . 1 82 82 SER CA C 13 56.450 0.04 . 1 . . . . . 82 SER CA . 50274 1 476 . 1 . 1 82 82 SER CB C 13 63.490 0.08 . 1 . . . . . 82 SER CB . 50274 1 477 . 1 . 1 82 82 SER N N 15 118.567 0.01 . 1 . . . . . 82 SER N . 50274 1 478 . 1 . 1 83 83 PRO C C 13 177.720 0.02 . 1 . . . . . 83 PRO CO . 50274 1 479 . 1 . 1 83 83 PRO CA C 13 63.770 0.02 . 1 . . . . . 83 PRO CA . 50274 1 480 . 1 . 1 83 83 PRO CB C 13 31.820 0.08 . 1 . . . . . 83 PRO CB . 50274 1 481 . 1 . 1 83 83 PRO N N 15 138.409 0.02 . 1 . . . . . 83 PRO N . 50274 1 482 . 1 . 1 84 84 GLY H H 1 8.526 0.01 . 1 . . . . . 84 GLY HN . 50274 1 483 . 1 . 1 84 84 GLY HA2 H 1 3.980 0.02 . 1 . . . . . 84 GLY HA . 50274 1 484 . 1 . 1 84 84 GLY HA3 H 1 3.980 0.02 . 1 . . . . . 84 GLY HA . 50274 1 485 . 1 . 1 84 84 GLY C C 13 174.930 0.02 . 1 . . . . . 84 GLY CO . 50274 1 486 . 1 . 1 84 84 GLY CA C 13 45.318 0.04 . 1 . . . . . 84 GLY CA . 50274 1 487 . 1 . 1 84 84 GLY N N 15 109.445 0.02 . 1 . . . . . 84 GLY N . 50274 1 488 . 1 . 1 85 85 GLY H H 1 8.305 0.01 . 1 . . . . . 85 GLY HN . 50274 1 489 . 1 . 1 85 85 GLY HA2 H 1 3.990 0.02 . 1 . . . . . 85 GLY HA . 50274 1 490 . 1 . 1 85 85 GLY HA3 H 1 3.990 0.02 . 1 . . . . . 85 GLY HA . 50274 1 491 . 1 . 1 85 85 GLY C C 13 174.900 0.03 . 1 . . . . . 85 GLY CO . 50274 1 492 . 1 . 1 85 85 GLY CA C 13 45.324 0.04 . 1 . . . . . 85 GLY CA . 50274 1 493 . 1 . 1 85 85 GLY N N 15 108.781 0.01 . 1 . . . . . 85 GLY N . 50274 1 494 . 1 . 1 86 86 GLY H H 1 8.403 0.02 . 1 . . . . . 86 GLY HN . 50274 1 495 . 1 . 1 86 86 GLY HA2 H 1 4.000 0.03 . 1 . . . . . 86 GLY HA . 50274 1 496 . 1 . 1 86 86 GLY HA3 H 1 4.000 0.03 . 1 . . . . . 86 GLY HA . 50274 1 497 . 1 . 1 86 86 GLY C C 13 174.967 0.02 . 1 . . . . . 86 GLY CO . 50274 1 498 . 1 . 1 86 86 GLY CA C 13 45.316 0.04 . 1 . . . . . 86 GLY CA . 50274 1 499 . 1 . 1 86 86 GLY N N 15 108.851 0.02 . 1 . . . . . 86 GLY N . 50274 1 500 . 1 . 1 87 87 GLY H H 1 8.403 0.00 . 1 . . . . . 87 GLY HN . 50274 1 501 . 1 . 1 87 87 GLY HA2 H 1 3.990 0.01 . 1 . . . . . 87 GLY HA . 50274 1 502 . 1 . 1 87 87 GLY HA3 H 1 3.990 0.01 . 1 . . . . . 87 GLY HA . 50274 1 503 . 1 . 1 87 87 GLY C C 13 174.958 0.02 . 1 . . . . . 87 GLY CO . 50274 1 504 . 1 . 1 87 87 GLY CA C 13 45.326 0.01 . 1 . . . . . 87 GLY CA . 50274 1 505 . 1 . 1 87 87 GLY N N 15 108.865 0.00 . 1 . . . . . 87 GLY N . 50274 1 506 . 1 . 1 88 88 GLY H H 1 8.414 0.01 . 1 . . . . . 88 GLY HN . 50274 1 507 . 1 . 1 88 88 GLY HA2 H 1 4.011 0.02 . 1 . . . . . 88 GLY HA . 50274 1 508 . 1 . 1 88 88 GLY HA3 H 1 4.011 0.02 . 1 . . . . . 88 GLY HA . 50274 1 509 . 1 . 1 88 88 GLY C C 13 174.800 0.02 . 1 . . . . . 88 GLY CO . 50274 1 510 . 1 . 1 88 88 GLY CA C 13 45.357 0.02 . 1 . . . . . 88 GLY CA . 50274 1 511 . 1 . 1 88 88 GLY N N 15 108.944 0.02 . 1 . . . . . 88 GLY N . 50274 1 512 . 1 . 1 89 89 GLY H H 1 8.358 0.01 . 1 . . . . . 89 GLY HN . 50274 1 513 . 1 . 1 89 89 GLY HA2 H 1 3.990 0.02 . 1 . . . . . 89 GLY HA . 50274 1 514 . 1 . 1 89 89 GLY HA3 H 1 3.990 0.02 . 1 . . . . . 89 GLY HA . 50274 1 515 . 1 . 1 89 89 GLY C C 13 173.520 0.02 . 1 . . . . . 89 GLY CO . 50274 1 516 . 1 . 1 89 89 GLY CA C 13 45.270 0.02 . 1 . . . . . 89 GLY CA . 50274 1 517 . 1 . 1 89 89 GLY N N 15 109.331 0.02 . 1 . . . . . 89 GLY N . 50274 1 518 . 1 . 1 90 90 SER H H 1 7.937 0.01 . 1 . . . . . 90 SER HN . 50274 1 519 . 1 . 1 90 90 SER HA H 1 4.327 0.02 . 1 . . . . . 90 SER HA . 50274 1 520 . 1 . 1 90 90 SER CA C 13 59.860 0.04 . 1 . . . . . 90 SER CA . 50274 1 521 . 1 . 1 90 90 SER N N 15 121.000 0.02 . 1 . . . . . 90 SER N . 50274 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 50274 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'Orb2A PLD pH 7' _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 $chem_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 's.d. among multiple assigned values' _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 12 '2D 1H-15N HSQC' . . . 50274 2 13 '3D HNCO' . . . 50274 2 14 '3D HNCA' . . . 50274 2 15 '3D HBHA(CO)NH' . . . 50274 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50274 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 SER CA C 13 58.230 0.06 . 1 . . . . . 2 SER CA . 50274 2 2 . 1 . 1 2 2 SER CB C 13 63.861 0.08 . 1 . . . . . 2 SER CB . 50274 2 3 . 1 . 1 3 3 MET H H 1 8.430 0.01 . 1 . . . . . 3 MET HN . 50274 2 4 . 1 . 1 3 3 MET C C 13 175.910 0.02 . 1 . . . . . 3 MET CO . 50274 2 5 . 1 . 1 3 3 MET CA C 13 55.790 0.05 . 1 . . . . . 3 MET CA . 50274 2 6 . 1 . 1 3 3 MET CB C 13 32.700 0.08 . 1 . . . . . 3 MET CB . 50274 2 7 . 1 . 1 3 3 MET N N 15 121.300 0.02 . 1 . . . . . 3 MET N . 50274 2 8 . 1 . 1 4 4 TYR H H 1 8.191 0.01 . 1 . . . . . 4 TYR HN . 50274 2 9 . 1 . 1 4 4 TYR C C 13 175.400 0.02 . 1 . . . . . 4 TYR CO . 50274 2 10 . 1 . 1 4 4 TYR CA C 13 58.010 0.02 . 1 . . . . . 4 TYR CA . 50274 2 11 . 1 . 1 4 4 TYR CB C 13 38.760 0.08 . 1 . . . . . 4 TYR CB . 50274 2 12 . 1 . 1 4 4 TYR N N 15 120.870 0.02 . 1 . . . . . 4 TYR N . 50274 2 13 . 1 . 1 5 5 ASN H H 1 8.230 0.01 . 1 . . . . . 5 ASN HN . 50274 2 14 . 1 . 1 5 5 ASN C C 13 174.890 0.02 . 1 . . . . . 5 ASN CO . 50274 2 15 . 1 . 1 5 5 ASN CA C 13 53.100 0.05 . 1 . . . . . 5 ASN CA . 50274 2 16 . 1 . 1 5 5 ASN CB C 13 39.010 0.08 . 1 . . . . . 5 ASN CB . 50274 2 17 . 1 . 1 5 5 ASN N N 15 120.730 0.02 . 1 . . . . . 5 ASN N . 50274 2 18 . 1 . 1 6 6 LYS H H 1 8.085 0.01 . 1 . . . . . 6 LYS HN . 50274 2 19 . 1 . 1 6 6 LYS C C 13 176.190 0.02 . 1 . . . . . 6 LYS CO . 50274 2 20 . 1 . 1 6 6 LYS CA C 13 56.760 0.07 . 1 . . . . . 6 LYS CA . 50274 2 21 . 1 . 1 6 6 LYS CB C 13 32.790 0.08 . 1 . . . . . 6 LYS CB . 50274 2 22 . 1 . 1 6 6 LYS N N 15 121.330 0.02 . 1 . . . . . 6 LYS N . 50274 2 23 . 1 . 1 7 7 PHE H H 1 8.183 0.01 . 1 . . . . . 7 PHE HN . 50274 2 24 . 1 . 1 7 7 PHE C C 13 175.720 0.02 . 1 . . . . . 7 PHE CO . 50274 2 25 . 1 . 1 7 7 PHE CA C 13 57.830 0.04 . 1 . . . . . 7 PHE CA . 50274 2 26 . 1 . 1 7 7 PHE CB C 13 39.370 0.08 . 1 . . . . . 7 PHE CB . 50274 2 27 . 1 . 1 7 7 PHE N N 15 120.350 0.02 . 1 . . . . . 7 PHE N . 50274 2 28 . 1 . 1 8 8 VAL H H 1 7.865 0.01 . 1 . . . . . 8 VAL HN . 50274 2 29 . 1 . 1 8 8 VAL C C 13 175.300 0.02 . 1 . . . . . 8 VAL CO . 50274 2 30 . 1 . 1 8 8 VAL CA C 13 62.410 0.05 . 1 . . . . . 8 VAL CA . 50274 2 31 . 1 . 1 8 8 VAL CB C 13 32.920 0.08 . 1 . . . . . 8 VAL CB . 50274 2 32 . 1 . 1 8 8 VAL N N 15 121.020 0.02 . 1 . . . . . 8 VAL N . 50274 2 33 . 1 . 1 9 9 ASN H H 1 8.282 0.01 . 1 . . . . . 9 ASN HN . 50274 2 34 . 1 . 1 9 9 ASN C C 13 174.580 0.02 . 1 . . . . . 9 ASN CO . 50274 2 35 . 1 . 1 9 9 ASN CA C 13 53.160 0.05 . 1 . . . . . 9 ASN CA . 50274 2 36 . 1 . 1 9 9 ASN CB C 13 39.030 0.02 . 1 . . . . . 9 ASN CB . 50274 2 37 . 1 . 1 9 9 ASN N N 15 121.680 0.02 . 1 . . . . . 9 ASN N . 50274 2 38 . 1 . 1 10 10 PHE H H 1 8.099 0.01 . 1 . . . . . 10 PHE HN . 50274 2 39 . 1 . 1 10 10 PHE C C 13 175.480 0.02 . 1 . . . . . 10 PHE CO . 50274 2 40 . 1 . 1 10 10 PHE CA C 13 57.880 0.05 . 1 . . . . . 10 PHE CA . 50274 2 41 . 1 . 1 10 10 PHE CB C 13 39.690 0.08 . 1 . . . . . 10 PHE CB . 50274 2 42 . 1 . 1 10 10 PHE N N 15 120.750 0.02 . 1 . . . . . 10 PHE N . 50274 2 43 . 1 . 1 11 11 ILE H H 1 8.088 0.01 . 1 . . . . . 11 ILE HN . 50274 2 44 . 1 . 1 11 11 ILE C C 13 175.940 0.02 . 1 . . . . . 11 ILE CO . 50274 2 45 . 1 . 1 11 11 ILE CA C 13 61.070 0.02 . 1 . . . . . 11 ILE CA . 50274 2 46 . 1 . 1 11 11 ILE CB C 13 38.690 0.08 . 1 . . . . . 11 ILE CB . 50274 2 47 . 1 . 1 11 11 ILE N N 15 122.780 0.02 . 1 . . . . . 11 ILE N . 50274 2 48 . 1 . 1 12 12 CYS H H 1 8.388 0.01 . 1 . . . . . 12 CYS HN . 50274 2 49 . 1 . 1 12 12 CYS C C 13 175.130 0.02 . 1 . . . . . 12 CYS CO . 50274 2 50 . 1 . 1 12 12 CYS CA C 13 58.890 0.03 . 1 . . . . . 12 CYS CA . 50274 2 51 . 1 . 1 12 12 CYS CB C 13 27.960 0.10 . 1 . . . . . 12 CYS CB . 50274 2 52 . 1 . 1 12 12 CYS N N 15 123.340 0.02 . 1 . . . . . 12 CYS N . 50274 2 53 . 1 . 1 13 13 GLY H H 1 8.483 0.01 . 1 . . . . . 13 GLY HN . 50274 2 54 . 1 . 1 13 13 GLY C C 13 175.720 0.02 . 1 . . . . . 13 GLY CO . 50274 2 55 . 1 . 1 13 13 GLY CA C 13 45.440 0.07 . 1 . . . . . 13 GLY CA . 50274 2 56 . 1 . 1 13 13 GLY N N 15 111.810 0.02 . 1 . . . . . 13 GLY N . 50274 2 57 . 1 . 1 14 14 GLY H H 1 8.237 0.01 . 1 . . . . . 14 GLY HN . 50274 2 58 . 1 . 1 14 14 GLY C C 13 173.670 0.02 . 1 . . . . . 14 GLY CO . 50274 2 59 . 1 . 1 14 14 GLY CA C 13 45.000 0.02 . 1 . . . . . 14 GLY CA . 50274 2 60 . 1 . 1 14 14 GLY N N 15 108.600 0.02 . 1 . . . . . 14 GLY N . 50274 2 61 . 1 . 1 15 15 LEU H H 1 8.088 0.01 . 1 . . . . . 15 LEU HN . 50274 2 62 . 1 . 1 15 15 LEU CA C 13 53.151 0.02 . 1 . . . . . 15 LEU CA . 50274 2 63 . 1 . 1 15 15 LEU N N 15 122.580 0.02 . 1 . . . . . 15 LEU N . 50274 2 64 . 1 . 1 16 16 PRO C C 13 176.550 0.02 . 1 . . . . . 16 PRO CO . 50274 2 65 . 1 . 1 16 16 PRO CA C 13 63.470 0.04 . 1 . . . . . 16 PRO CA . 50274 2 66 . 1 . 1 16 16 PRO CB C 13 32.050 0.08 . 1 . . . . . 16 PRO CB . 50274 2 67 . 1 . 1 17 17 ASN H H 1 8.439 0.01 . 1 . . . . . 17 ASN HN . 50274 2 68 . 1 . 1 17 17 ASN C C 13 175.360 0.02 . 1 . . . . . 17 ASN CO . 50274 2 69 . 1 . 1 17 17 ASN CA C 13 53.190 0.04 . 1 . . . . . 17 ASN CA . 50274 2 70 . 1 . 1 17 17 ASN CB C 13 38.520 0.08 . 1 . . . . . 17 ASN CB . 50274 2 71 . 1 . 1 17 17 ASN N N 15 118.060 0.02 . 1 . . . . . 17 ASN N . 50274 2 72 . 1 . 1 18 18 LEU H H 1 8.236 0.01 . 1 . . . . . 18 LEU HN . 50274 2 73 . 1 . 1 18 18 LEU C C 13 177.120 0.02 . 1 . . . . . 18 LEU CO . 50274 2 74 . 1 . 1 18 18 LEU CA C 13 55.510 0.04 . 1 . . . . . 18 LEU CA . 50274 2 75 . 1 . 1 18 18 LEU CB C 13 42.300 0.08 . 1 . . . . . 18 LEU CB . 50274 2 76 . 1 . 1 18 18 LEU N N 15 123.130 0.02 . 1 . . . . . 18 LEU N . 50274 2 77 . 1 . 1 19 19 ASN H H 1 8.368 0.01 . 1 . . . . . 19 ASN HN . 50274 2 78 . 1 . 1 19 19 ASN C C 13 175.200 0.02 . 1 . . . . . 19 ASN CO . 50274 2 79 . 1 . 1 19 19 ASN CA C 13 53.310 0.05 . 1 . . . . . 19 ASN CA . 50274 2 80 . 1 . 1 19 19 ASN CB C 13 38.600 0.10 . 1 . . . . . 19 ASN CB . 50274 2 81 . 1 . 1 19 19 ASN N N 15 118.620 0.02 . 1 . . . . . 19 ASN N . 50274 2 82 . 1 . 1 20 20 LEU H H 1 8.074 0.01 . 1 . . . . . 20 LEU HN . 50274 2 83 . 1 . 1 20 20 LEU C C 13 177.090 0.02 . 1 . . . . . 20 LEU CO . 50274 2 84 . 1 . 1 20 20 LEU CA C 13 55.390 0.04 . 1 . . . . . 20 LEU CA . 50274 2 85 . 1 . 1 20 20 LEU CB C 13 42.310 0.08 . 1 . . . . . 20 LEU CB . 50274 2 86 . 1 . 1 20 20 LEU N N 15 121.860 0.02 . 1 . . . . . 20 LEU N . 50274 2 87 . 1 . 1 21 21 ASN H H 1 8.431 0.01 . 1 . . . . . 21 ASN HN . 50274 2 88 . 1 . 1 21 21 ASN C C 13 174.640 0.02 . 1 . . . . . 21 ASN CO . 50274 2 89 . 1 . 1 21 21 ASN CA C 13 53.360 0.04 . 1 . . . . . 21 ASN CA . 50274 2 90 . 1 . 1 21 21 ASN CB C 13 38.430 0.10 . 1 . . . . . 21 ASN CB . 50274 2 91 . 1 . 1 21 21 ASN N N 15 118.720 0.02 . 1 . . . . . 21 ASN N . 50274 2 92 . 1 . 1 22 22 LYS H H 1 8.077 0.01 . 1 . . . . . 22 LYS HN . 50274 2 93 . 1 . 1 22 22 LYS CA C 13 54.150 0.02 . 1 . . . . . 22 LYS CA . 50274 2 94 . 1 . 1 22 22 LYS N N 15 122.240 0.02 . 1 . . . . . 22 LYS N . 50274 2 95 . 1 . 1 24 24 PRO C C 13 176.900 0.02 . 1 . . . . . 24 PRO CO . 50274 2 96 . 1 . 1 24 24 PRO CA C 13 63.130 0.05 . 1 . . . . . 24 PRO CA . 50274 2 97 . 1 . 1 24 24 PRO CB C 13 32.100 0.08 . 1 . . . . . 24 PRO CB . 50274 2 98 . 1 . 1 25 25 GLN H H 1 8.464 0.01 . 1 . . . . . 25 GLN HN . 50274 2 99 . 1 . 1 25 25 GLN C C 13 176.000 0.02 . 1 . . . . . 25 GLN CO . 50274 2 100 . 1 . 1 25 25 GLN CA C 13 55.700 0.05 . 1 . . . . . 25 GLN CA . 50274 2 101 . 1 . 1 25 25 GLN CB C 13 29.450 0.08 . 1 . . . . . 25 GLN CB . 50274 2 102 . 1 . 1 25 25 GLN N N 15 120.280 0.02 . 1 . . . . . 25 GLN N . 50274 2 103 . 1 . 1 26 26 LEU H H 1 8.280 0.02 . 1 . . . . . 26 LEU HN . 50274 2 104 . 1 . 1 26 26 LEU C C 13 177.240 0.05 . 1 . . . . . 26 LEU CO . 50274 2 105 . 1 . 1 26 26 LEU CA C 13 55.490 0.02 . 1 . . . . . 26 LEU CA . 50274 2 106 . 1 . 1 26 26 LEU CB C 13 42.450 0.08 . 1 . . . . . 26 LEU CB . 50274 2 107 . 1 . 1 26 26 LEU N N 15 123.480 0.02 . 1 . . . . . 26 LEU N . 50274 2 108 . 1 . 1 27 27 HIS H H 1 8.329 0.01 . 1 . . . . . 27 HIS HN . 50274 2 109 . 1 . 1 27 27 HIS C C 13 175.600 0.05 . 1 . . . . . 27 HIS CO . 50274 2 110 . 1 . 1 27 27 HIS CA C 13 56.390 0.05 . 1 . . . . . 27 HIS CA . 50274 2 111 . 1 . 1 27 27 HIS CB C 13 30.600 0.10 . 1 . . . . . 27 HIS CB . 50274 2 112 . 1 . 1 27 27 HIS N N 15 119.790 0.02 . 1 . . . . . 27 HIS N . 50274 2 113 . 1 . 1 28 28 GLN H H 1 8.340 0.01 . 1 . . . . . 28 GLN HN . 50274 2 114 . 1 . 1 28 28 GLN C C 13 176.200 0.50 . 1 . . . . . 28 GLN CO . 50274 2 115 . 1 . 1 28 28 GLN CA C 13 56.250 0.05 . 1 . . . . . 28 GLN CA . 50274 2 116 . 1 . 1 28 28 GLN CB C 13 29.300 0.10 . 1 . . . . . 28 GLN CB . 50274 2 117 . 1 . 1 28 28 GLN N N 15 121.300 0.04 . 1 . . . . . 28 GLN N . 50274 2 118 . 1 . 1 29 29 GLN H H 1 8.450 0.05 . 1 . . . . . 29 GLN HN . 50274 2 119 . 1 . 1 29 29 GLN C C 13 176.200 0.05 . 1 . . . . . 29 GLN CO . 50274 2 120 . 1 . 1 29 29 GLN CA C 13 56.350 0.04 . 1 . . . . . 29 GLN CA . 50274 2 121 . 1 . 1 29 29 GLN CB C 13 29.300 0.08 . 1 . . . . . 29 GLN CB . 50274 2 122 . 1 . 1 29 29 GLN N N 15 121.200 0.10 . 1 . . . . . 29 GLN N . 50274 2 123 . 1 . 1 30 30 GLN H H 1 8.450 0.05 . 1 . . . . . 30 GLN HN . 50274 2 124 . 1 . 1 30 30 GLN C C 13 176.200 0.50 . 1 . . . . . 30 GLN CO . 50274 2 125 . 1 . 1 30 30 GLN CA C 13 56.350 0.10 . 1 . . . . . 30 GLN CA . 50274 2 126 . 1 . 1 30 30 GLN CB C 13 29.300 0.10 . 1 . . . . . 30 GLN CB . 50274 2 127 . 1 . 1 30 30 GLN N N 15 121.200 0.10 . 1 . . . . . 30 GLN N . 50274 2 128 . 1 . 1 31 31 HIS H H 1 8.350 0.02 . 1 . . . . . 31 HIS HN . 50274 2 129 . 1 . 1 31 31 HIS C C 13 176.600 0.02 . 1 . . . . . 31 HIS CO . 50274 2 130 . 1 . 1 31 31 HIS CA C 13 56.500 0.10 . 1 . . . . . 31 HIS CA . 50274 2 131 . 1 . 1 31 31 HIS CB C 13 30.600 0.10 . 1 . . . . . 31 HIS CB . 50274 2 132 . 1 . 1 31 31 HIS N N 15 120.300 0.05 . 1 . . . . . 31 HIS N . 50274 2 133 . 1 . 1 32 32 GLN H H 1 8.340 0.01 . 1 . . . . . 32 GLN HN . 50274 2 134 . 1 . 1 32 32 GLN C C 13 176.200 0.50 . 1 . . . . . 32 GLN CO . 50274 2 135 . 1 . 1 32 32 GLN CA C 13 56.250 0.10 . 1 . . . . . 32 GLN CA . 50274 2 136 . 1 . 1 32 32 GLN CB C 13 29.300 0.10 . 1 . . . . . 32 GLN CB . 50274 2 137 . 1 . 1 32 32 GLN N N 15 121.300 0.02 . 1 . . . . . 32 GLN N . 50274 2 138 . 1 . 1 33 33 GLN H H 1 8.450 0.05 . 1 . . . . . 33 GLN HN . 50274 2 139 . 1 . 1 33 33 GLN C C 13 176.200 0.50 . 1 . . . . . 33 GLN CO . 50274 2 140 . 1 . 1 33 33 GLN CA C 13 56.350 0.10 . 1 . . . . . 33 GLN CA . 50274 2 141 . 1 . 1 33 33 GLN CB C 13 29.300 0.10 . 1 . . . . . 33 GLN CB . 50274 2 142 . 1 . 1 33 33 GLN N N 15 121.200 0.10 . 1 . . . . . 33 GLN N . 50274 2 143 . 1 . 1 34 34 GLN H H 1 8.450 0.05 . 1 . . . . . 34 GLN HN . 50274 2 144 . 1 . 1 34 34 GLN C C 13 176.100 0.50 . 1 . . . . . 34 GLN CO . 50274 2 145 . 1 . 1 34 34 GLN CA C 13 56.350 0.10 . 1 . . . . . 34 GLN CA . 50274 2 146 . 1 . 1 34 34 GLN CB C 13 29.300 0.10 . 1 . . . . . 34 GLN CB . 50274 2 147 . 1 . 1 34 34 GLN N N 15 121.200 0.10 . 1 . . . . . 34 GLN N . 50274 2 148 . 1 . 1 35 35 HIS H H 1 8.350 0.02 . 1 . . . . . 35 HIS HN . 50274 2 149 . 1 . 1 35 35 HIS C C 13 176.600 0.05 . 1 . . . . . 35 HIS CO . 50274 2 150 . 1 . 1 35 35 HIS CA C 13 56.600 0.04 . 1 . . . . . 35 HIS CA . 50274 2 151 . 1 . 1 35 35 HIS CB C 13 30.600 0.08 . 1 . . . . . 35 HIS CB . 50274 2 152 . 1 . 1 35 35 HIS N N 15 120.300 0.05 . 1 . . . . . 35 HIS N . 50274 2 153 . 1 . 1 36 36 GLN H H 1 8.340 0.01 . 1 . . . . . 36 GLN HN . 50274 2 154 . 1 . 1 36 36 GLN C C 13 176.200 0.03 . 1 . . . . . 36 GLN CO . 50274 2 155 . 1 . 1 36 36 GLN CA C 13 56.250 0.10 . 1 . . . . . 36 GLN CA . 50274 2 156 . 1 . 1 36 36 GLN CB C 13 29.300 0.08 . 1 . . . . . 36 GLN CB . 50274 2 157 . 1 . 1 36 36 GLN N N 15 121.300 0.03 . 1 . . . . . 36 GLN N . 50274 2 158 . 1 . 1 37 37 GLN H H 1 8.450 0.05 . 1 . . . . . 37 GLN HN . 50274 2 159 . 1 . 1 37 37 GLN C C 13 176.100 0.50 . 1 . . . . . 37 GLN CO . 50274 2 160 . 1 . 1 37 37 GLN CA C 13 56.350 0.10 . 1 . . . . . 37 GLN CA . 50274 2 161 . 1 . 1 37 37 GLN CB C 13 29.300 0.10 . 1 . . . . . 37 GLN CB . 50274 2 162 . 1 . 1 37 37 GLN N N 15 121.100 0.10 . 1 . . . . . 37 GLN N . 50274 2 163 . 1 . 1 38 38 HIS H H 1 8.350 0.01 . 1 . . . . . 38 HIS HN . 50274 2 164 . 1 . 1 38 38 HIS C C 13 176.600 0.05 . 1 . . . . . 38 HIS CO . 50274 2 165 . 1 . 1 38 38 HIS CA C 13 56.500 0.08 . 1 . . . . . 38 HIS CA . 50274 2 166 . 1 . 1 38 38 HIS CB C 13 30.600 0.10 . 1 . . . . . 38 HIS CB . 50274 2 167 . 1 . 1 38 38 HIS N N 15 120.300 0.10 . 1 . . . . . 38 HIS N . 50274 2 168 . 1 . 1 39 39 GLN H H 1 8.340 0.02 . 1 . . . . . 39 GLN HN . 50274 2 169 . 1 . 1 39 39 GLN C C 13 176.200 0.03 . 1 . . . . . 39 GLN CO . 50274 2 170 . 1 . 1 39 39 GLN CA C 13 56.250 0.01 . 1 . . . . . 39 GLN CA . 50274 2 171 . 1 . 1 39 39 GLN CB C 13 29.300 0.01 . 1 . . . . . 39 GLN CB . 50274 2 172 . 1 . 1 39 39 GLN N N 15 121.300 0.03 . 1 . . . . . 39 GLN N . 50274 2 173 . 1 . 1 40 40 GLN H H 1 8.450 0.02 . 1 . . . . . 40 GLN HN . 50274 2 174 . 1 . 1 40 40 GLN C C 13 176.100 0.03 . 1 . . . . . 40 GLN CO . 50274 2 175 . 1 . 1 40 40 GLN CA C 13 56.400 0.10 . 1 . . . . . 40 GLN CA . 50274 2 176 . 1 . 1 40 40 GLN CB C 13 29.300 0.01 . 1 . . . . . 40 GLN CB . 50274 2 177 . 1 . 1 40 40 GLN N N 15 121.200 0.03 . 1 . . . . . 40 GLN N . 50274 2 178 . 1 . 1 41 41 HIS H H 1 8.350 0.01 . 1 . . . . . 41 HIS HN . 50274 2 179 . 1 . 1 41 41 HIS C C 13 176.600 0.05 . 1 . . . . . 41 HIS CO . 50274 2 180 . 1 . 1 41 41 HIS CA C 13 56.500 0.08 . 1 . . . . . 41 HIS CA . 50274 2 181 . 1 . 1 41 41 HIS CB C 13 30.6 0.10 . 1 . . . . . 41 HIS CB . 50274 2 182 . 1 . 1 41 41 HIS N N 15 120.000 0.10 . 1 . . . . . 41 HIS N . 50274 2 183 . 1 . 1 42 42 GLN H H 1 8.340 0.02 . 1 . . . . . 42 GLN HN . 50274 2 184 . 1 . 1 42 42 GLN C C 13 175.200 0.50 . 1 . . . . . 42 GLN CO . 50274 2 185 . 1 . 1 42 42 GLN CA C 13 56.250 0.05 . 1 . . . . . 42 GLN CA . 50274 2 186 . 1 . 1 42 42 GLN CB C 13 29.300 0.08 . 1 . . . . . 42 GLN CB . 50274 2 187 . 1 . 1 42 42 GLN N N 15 121.300 0.08 . 1 . . . . . 42 GLN N . 50274 2 188 . 1 . 1 43 43 GLN H H 1 8.450 0.05 . 1 . . . . . 43 GLN HN . 50274 2 189 . 1 . 1 43 43 GLN C C 13 176.200 0.50 . 1 . . . . . 43 GLN CO . 50274 2 190 . 1 . 1 43 43 GLN CA C 13 56.350 0.10 . 1 . . . . . 43 GLN CA . 50274 2 191 . 1 . 1 43 43 GLN CB C 13 29.300 0.10 . 1 . . . . . 43 GLN CB . 50274 2 192 . 1 . 1 43 43 GLN N N 15 121.200 0.10 . 1 . . . . . 43 GLN N . 50274 2 193 . 1 . 1 44 44 GLN H H 1 8.450 0.05 . 1 . . . . . 44 GLN HN . 50274 2 194 . 1 . 1 44 44 GLN C C 13 176.200 0.50 . 1 . . . . . 44 GLN CO . 50274 2 195 . 1 . 1 44 44 GLN CA C 13 56.350 0.10 . 1 . . . . . 44 GLN CA . 50274 2 196 . 1 . 1 44 44 GLN CB C 13 29.300 0.10 . 1 . . . . . 44 GLN CB . 50274 2 197 . 1 . 1 44 44 GLN N N 15 121.200 0.10 . 1 . . . . . 44 GLN N . 50274 2 198 . 1 . 1 45 45 GLN H H 1 8.450 0.05 . 1 . . . . . 45 GLN HN . 50274 2 199 . 1 . 1 45 45 GLN C C 13 176.200 0.50 . 1 . . . . . 45 GLN CO . 50274 2 200 . 1 . 1 45 45 GLN CA C 13 56.350 0.10 . 1 . . . . . 45 GLN CA . 50274 2 201 . 1 . 1 45 45 GLN CB C 13 29.300 0.08 . 1 . . . . . 45 GLN CB . 50274 2 202 . 1 . 1 45 45 GLN N N 15 121.200 0.10 . 1 . . . . . 45 GLN N . 50274 2 203 . 1 . 1 46 46 GLN H H 1 8.450 0.05 . 1 . . . . . 46 GLN HN . 50274 2 204 . 1 . 1 46 46 GLN C C 13 176.060 0.03 . 1 . . . . . 46 GLN CO . 50274 2 205 . 1 . 1 46 46 GLN CA C 13 56.120 0.04 . 1 . . . . . 46 GLN CA . 50274 2 206 . 1 . 1 46 46 GLN CB C 13 29.210 0.08 . 1 . . . . . 46 GLN CB . 50274 2 207 . 1 . 1 46 46 GLN N N 15 121.200 0.03 . 1 . . . . . 46 GLN N . 50274 2 208 . 1 . 1 47 47 LEU H H 1 8.211 0.01 . 1 . . . . . 47 LEU HN . 50274 2 209 . 1 . 1 47 47 LEU C C 13 177.340 0.02 . 1 . . . . . 47 LEU CO . 50274 2 210 . 1 . 1 47 47 LEU CA C 13 55.530 0.04 . 1 . . . . . 47 LEU CA . 50274 2 211 . 1 . 1 47 47 LEU CB C 13 42.370 0.08 . 1 . . . . . 47 LEU CB . 50274 2 212 . 1 . 1 47 47 LEU N N 15 122.850 0.02 . 1 . . . . . 47 LEU N . 50274 2 213 . 1 . 1 48 48 HIS H H 1 8.270 0.01 . 1 . . . . . 48 HIS HN . 50274 2 214 . 1 . 1 48 48 HIS C C 13 176.600 0.05 . 1 . . . . . 48 HIS CO . 50274 2 215 . 1 . 1 48 48 HIS CA C 13 55.090 0.04 . 1 . . . . . 48 HIS CA . 50274 2 216 . 1 . 1 48 48 HIS CB C 13 28.680 0.08 . 1 . . . . . 48 HIS CB . 50274 2 217 . 1 . 1 48 48 HIS N N 15 119.490 0.02 . 1 . . . . . 48 HIS N . 50274 2 218 . 1 . 1 49 49 GLN H H 1 8.340 0.01 . 1 . . . . . 49 GLN HN . 50274 2 219 . 1 . 1 49 49 GLN C C 13 176.100 0.50 . 1 . . . . . 49 GLN CO . 50274 2 220 . 1 . 1 49 49 GLN CA C 13 56.300 0.10 . 1 . . . . . 49 GLN CA . 50274 2 221 . 1 . 1 49 49 GLN CB C 13 30.600 0.10 . 1 . . . . . 49 GLN CB . 50274 2 222 . 1 . 1 49 49 GLN N N 15 121.300 0.03 . 1 . . . . . 49 GLN N . 50274 2 223 . 1 . 1 50 50 HIS H H 1 8.350 0.01 . 1 . . . . . 50 HIS HN . 50274 2 224 . 1 . 1 50 50 HIS C C 13 175.600 0.05 . 1 . . . . . 50 HIS CO . 50274 2 225 . 1 . 1 50 50 HIS CA C 13 56.600 0.10 . 1 . . . . . 50 HIS CA . 50274 2 226 . 1 . 1 50 50 HIS CB C 13 30.600 0.08 . 1 . . . . . 50 HIS CB . 50274 2 227 . 1 . 1 50 50 HIS N N 15 120.300 0.03 . 1 . . . . . 50 HIS N . 50274 2 228 . 1 . 1 51 51 GLN H H 1 8.340 0.01 . 1 . . . . . 51 GLN HN . 50274 2 229 . 1 . 1 51 51 GLN C C 13 176.200 0.50 . 1 . . . . . 51 GLN CO . 50274 2 230 . 1 . 1 51 51 GLN CA C 13 56.250 0.10 . 1 . . . . . 51 GLN CA . 50274 2 231 . 1 . 1 51 51 GLN CB C 13 29.300 0.10 . 1 . . . . . 51 GLN CB . 50274 2 232 . 1 . 1 51 51 GLN N N 15 121.300 0.02 . 1 . . . . . 51 GLN N . 50274 2 233 . 1 . 1 52 52 GLN H H 1 8.450 0.05 . 1 . . . . . 52 GLN HN . 50274 2 234 . 1 . 1 52 52 GLN C C 13 176.200 0.50 . 1 . . . . . 52 GLN CO . 50274 2 235 . 1 . 1 52 52 GLN CA C 13 56.350 0.10 . 1 . . . . . 52 GLN CA . 50274 2 236 . 1 . 1 52 52 GLN CB C 13 29.300 0.10 . 1 . . . . . 52 GLN CB . 50274 2 237 . 1 . 1 52 52 GLN N N 15 121.200 0.02 . 1 . . . . . 52 GLN N . 50274 2 238 . 1 . 1 53 53 GLN H H 1 8.450 0.05 . 1 . . . . . 53 GLN HN . 50274 2 239 . 1 . 1 53 53 GLN C C 13 175.780 0.02 . 1 . . . . . 53 GLN CO . 50274 2 240 . 1 . 1 53 53 GLN CA C 13 55.770 0.04 . 1 . . . . . 53 GLN CA . 50274 2 241 . 1 . 1 53 53 GLN CB C 13 29.420 0.08 . 1 . . . . . 53 GLN CB . 50274 2 242 . 1 . 1 53 53 GLN N N 15 121.200 0.10 . 1 . . . . . 53 GLN N . 50274 2 243 . 1 . 1 54 54 LEU H H 1 8.307 0.01 . 1 . . . . . 54 LEU HN . 50274 2 244 . 1 . 1 54 54 LEU C C 13 177.150 0.02 . 1 . . . . . 54 LEU CO . 50274 2 245 . 1 . 1 54 54 LEU CA C 13 55.020 0.04 . 1 . . . . . 54 LEU CA . 50274 2 246 . 1 . 1 54 54 LEU CB C 13 42.550 0.08 . 1 . . . . . 54 LEU CB . 50274 2 247 . 1 . 1 54 54 LEU N N 15 123.65 0.02 . 1 . . . . . 54 LEU N . 50274 2 248 . 1 . 1 55 55 SER H H 1 8.303 0.01 . 1 . . . . . 55 SER HN . 50274 2 249 . 1 . 1 55 55 SER N N 15 117.720 0.02 . 1 . . . . . 55 SER N . 50274 2 250 . 1 . 1 56 56 PRO C C 13 176.740 0.02 . 1 . . . . . 56 PRO CO . 50274 2 251 . 1 . 1 56 56 PRO CA C 13 63.630 0.04 . 1 . . . . . 56 PRO CA . 50274 2 252 . 1 . 1 56 56 PRO CB C 13 32.100 0.08 . 1 . . . . . 56 PRO CB . 50274 2 253 . 1 . 1 57 57 ASN H H 1 8.437 0.01 . 1 . . . . . 57 ASN HN . 50274 2 254 . 1 . 1 57 57 ASN C C 13 175.570 0.02 . 1 . . . . . 57 ASN CO . 50274 2 255 . 1 . 1 57 57 ASN CA C 13 53.350 0.04 . 1 . . . . . 57 ASN CA . 50274 2 256 . 1 . 1 57 57 ASN CB C 13 38.390 0.08 . 1 . . . . . 57 ASN CB . 50274 2 257 . 1 . 1 57 57 ASN N N 15 117.930 0.02 . 1 . . . . . 57 ASN N . 50274 2 258 . 1 . 1 58 58 LEU H H 1 8.189 0.01 . 1 . . . . . 58 LEU HN . 50274 2 259 . 1 . 1 58 58 LEU C C 13 177.830 0.02 . 1 . . . . . 58 LEU CO . 50274 2 260 . 1 . 1 58 58 LEU CA C 13 55.680 0.04 . 1 . . . . . 58 LEU CA . 50274 2 261 . 1 . 1 58 58 LEU CB C 13 42.090 0.08 . 1 . . . . . 58 LEU CB . 50274 2 262 . 1 . 1 58 58 LEU N N 15 122.830 0.02 . 1 . . . . . 58 LEU N . 50274 2 263 . 1 . 1 59 59 SER H H 1 8.263 0.01 . 1 . . . . . 59 SER HN . 50274 2 264 . 1 . 1 59 59 SER C C 13 174.830 0.02 . 1 . . . . . 59 SER CO . 50274 2 265 . 1 . 1 59 59 SER CA C 13 59.110 0.05 . 1 . . . . . 59 SER CA . 50274 2 266 . 1 . 1 59 59 SER CB C 13 63.650 0.08 . 1 . . . . . 59 SER CB . 50274 2 267 . 1 . 1 59 59 SER N N 15 115.910 0.02 . 1 . . . . . 59 SER N . 50274 2 268 . 1 . 1 60 60 ALA H H 1 8.173 0.01 . 1 . . . . . 60 ALA HN . 50274 2 269 . 1 . 1 60 60 ALA C C 13 177.990 0.02 . 1 . . . . . 60 ALA CO . 50274 2 270 . 1 . 1 60 60 ALA CA C 13 52.960 0.04 . 1 . . . . . 60 ALA CA . 50274 2 271 . 1 . 1 60 60 ALA CB C 13 18.790 0.08 . 1 . . . . . 60 ALA CB . 50274 2 272 . 1 . 1 60 60 ALA N N 15 125.210 0.01 . 1 . . . . . 60 ALA N . 50274 2 273 . 1 . 1 61 61 LEU H H 1 7.942 0.01 . 1 . . . . . 61 LEU HN . 50274 2 274 . 1 . 1 61 61 LEU C C 13 177.430 0.02 . 1 . . . . . 61 LEU CO . 50274 2 275 . 1 . 1 61 61 LEU CA C 13 55.640 0.04 . 1 . . . . . 61 LEU CA . 50274 2 276 . 1 . 1 61 61 LEU CB C 13 42.210 0.08 . 1 . . . . . 61 LEU CB . 50274 2 277 . 1 . 1 61 61 LEU N N 15 119.820 0.02 . 1 . . . . . 61 LEU N . 50274 2 278 . 1 . 1 62 62 HIS H H 1 8.069 0.01 . 1 . . . . . 62 HIS HN . 50274 2 279 . 1 . 1 62 62 HIS CA C 13 56.540 0.03 . 1 . . . . . 62 HIS CA . 50274 2 280 . 1 . 1 62 62 HIS N N 15 118.950 0.02 . 1 . . . . . 62 HIS N . 50274 2 281 . 1 . 1 65 65 HIS C C 13 175.600 0.10 . 1 . . . . . 65 HIS CO . 50274 2 282 . 1 . 1 65 65 HIS CA C 13 56.510 0.05 . 1 . . . . . 65 HIS CA . 50274 2 283 . 1 . 1 65 65 HIS CB C 13 29.300 0.10 . 1 . . . . . 65 HIS CB . 50274 2 284 . 1 . 1 66 66 GLN H H 1 8.340 0.01 . 1 . . . . . 66 GLN HN . 50274 2 285 . 1 . 1 66 66 GLN C C 13 176.200 0.50 . 1 . . . . . 66 GLN CO . 50274 2 286 . 1 . 1 66 66 GLN CA C 13 56.250 0.04 . 1 . . . . . 66 GLN CA . 50274 2 287 . 1 . 1 66 66 GLN CB C 13 29.300 0.10 . 1 . . . . . 66 GLN CB . 50274 2 288 . 1 . 1 66 66 GLN N N 15 121.300 0.10 . 1 . . . . . 66 GLN N . 50274 2 289 . 1 . 1 67 67 GLN H H 1 8.450 0.05 . 1 . . . . . 67 GLN HN . 50274 2 290 . 1 . 1 67 67 GLN C C 13 176.200 0.50 . 1 . . . . . 67 GLN CO . 50274 2 291 . 1 . 1 67 67 GLN CA C 13 56.350 0.10 . 1 . . . . . 67 GLN CA . 50274 2 292 . 1 . 1 67 67 GLN CB C 13 29.300 0.10 . 1 . . . . . 67 GLN CB . 50274 2 293 . 1 . 1 67 67 GLN N N 15 121.200 0.10 . 1 . . . . . 67 GLN N . 50274 2 294 . 1 . 1 68 68 GLN H H 1 8.450 0.05 . 1 . . . . . 68 GLN HN . 50274 2 295 . 1 . 1 68 68 GLN C C 13 176.200 0.50 . 1 . . . . . 68 GLN CO . 50274 2 296 . 1 . 1 68 68 GLN CA C 13 56.350 0.10 . 1 . . . . . 68 GLN CA . 50274 2 297 . 1 . 1 68 68 GLN N N 15 121.200 0.10 . 1 . . . . . 68 GLN N . 50274 2 298 . 1 . 1 69 69 GLN H H 1 8.450 0.05 . 1 . . . . . 69 GLN HN . 50274 2 299 . 1 . 1 69 69 GLN C C 13 176.200 0.50 . 1 . . . . . 69 GLN CO . 50274 2 300 . 1 . 1 69 69 GLN CA C 13 56.350 0.04 . 1 . . . . . 69 GLN CA . 50274 2 301 . 1 . 1 69 69 GLN CB C 13 29.210 0.08 . 1 . . . . . 69 GLN CB . 50274 2 302 . 1 . 1 69 69 GLN N N 15 121.200 0.10 . 1 . . . . . 69 GLN N . 50274 2 303 . 1 . 1 70 70 GLN H H 1 8.450 0.05 . 1 . . . . . 70 GLN HN . 50274 2 304 . 1 . 1 70 70 GLN C C 13 176.270 0.02 . 1 . . . . . 70 GLN CO . 50274 2 305 . 1 . 1 70 70 GLN CA C 13 55.220 0.04 . 1 . . . . . 70 GLN CA . 50274 2 306 . 1 . 1 70 70 GLN CB C 13 29.210 0.08 . 1 . . . . . 70 GLN CB . 50274 2 307 . 1 . 1 70 70 GLN N N 15 121.200 0.10 . 1 . . . . . 70 GLN N . 50274 2 308 . 1 . 1 71 71 LEU H H 1 8.234 0.01 . 1 . . . . . 71 LEU HN . 50274 2 309 . 1 . 1 71 71 LEU C C 13 177.480 0.02 . 1 . . . . . 71 LEU CO . 50274 2 310 . 1 . 1 71 71 LEU CA C 13 55.510 0.04 . 1 . . . . . 71 LEU CA . 50274 2 311 . 1 . 1 71 71 LEU CB C 13 42.330 0.08 . 1 . . . . . 71 LEU CB . 50274 2 312 . 1 . 1 71 71 LEU N N 15 123.050 0.02 . 1 . . . . . 71 LEU N . 50274 2 313 . 1 . 1 72 72 ARG H H 1 8.331 0.01 . 1 . . . . . 72 ARG HN . 50274 2 314 . 1 . 1 72 72 ARG C C 13 176.610 0.02 . 1 . . . . . 72 ARG CO . 50274 2 315 . 1 . 1 72 72 ARG CA C 13 56.320 0.04 . 1 . . . . . 72 ARG CA . 50274 2 316 . 1 . 1 72 72 ARG CB C 13 30.820 0.08 . 1 . . . . . 72 ARG CB . 50274 2 317 . 1 . 1 72 72 ARG N N 15 121.920 0.02 . 1 . . . . . 72 ARG N . 50274 2 318 . 1 . 1 73 73 GLU H H 1 8.463 0.01 . 1 . . . . . 73 GLU HN . 50274 2 319 . 1 . 1 73 73 GLU C C 13 176.760 0.02 . 1 . . . . . 73 GLU CO . 50274 2 320 . 1 . 1 73 73 GLU CA C 13 56.790 0.04 . 1 . . . . . 73 GLU CA . 50274 2 321 . 1 . 1 73 73 GLU CB C 13 30.140 0.08 . 1 . . . . . 73 GLU CB . 50274 2 322 . 1 . 1 73 73 GLU N N 15 121.780 0.02 . 1 . . . . . 73 GLU N . 50274 2 323 . 1 . 1 74 74 SER H H 1 8.395 0.01 . 1 . . . . . 74 SER HN . 50274 2 324 . 1 . 1 74 74 SER C C 13 175.260 0.02 . 1 . . . . . 74 SER CO . 50274 2 325 . 1 . 1 74 74 SER CA C 13 58.640 0.04 . 1 . . . . . 74 SER CA . 50274 2 326 . 1 . 1 74 74 SER CB C 13 63.940 0.08 . 1 . . . . . 74 SER CB . 50274 2 327 . 1 . 1 74 74 SER N N 15 116.670 0.02 . 1 . . . . . 74 SER N . 50274 2 328 . 1 . 1 75 75 GLY H H 1 8.483 0.01 . 1 . . . . . 75 GLY HN . 50274 2 329 . 1 . 1 75 75 GLY C C 13 174.800 0.02 . 1 . . . . . 75 GLY CO . 50274 2 330 . 1 . 1 75 75 GLY CA C 13 45.420 0.04 . 1 . . . . . 75 GLY CA . 50274 2 331 . 1 . 1 75 75 GLY N N 15 110.940 0.01 . 1 . . . . . 75 GLY N . 50274 2 332 . 1 . 1 76 76 GLY H H 1 8.304 0.01 . 1 . . . . . 76 GLY HN . 50274 2 333 . 1 . 1 76 76 GLY C C 13 174.270 0.02 . 1 . . . . . 76 GLY CO . 50274 2 334 . 1 . 1 76 76 GLY CA C 13 45.200 0.04 . 1 . . . . . 76 GLY CA . 50274 2 335 . 1 . 1 76 76 GLY N N 15 108.700 0.02 . 1 . . . . . 76 GLY N . 50274 2 336 . 1 . 1 77 77 SER H H 1 8.280 0.01 . 1 . . . . . 77 SER HN . 50274 2 337 . 1 . 1 77 77 SER CA C 13 58.380 0.04 . 1 . . . . . 77 SER CA . 50274 2 338 . 1 . 1 77 77 SER N N 15 115.580 0.02 . 1 . . . . . 77 SER N . 50274 2 339 . 1 . 1 78 78 HIS C C 13 174.497 0.02 . 1 . . . . . 78 HIS CO . 50274 2 340 . 1 . 1 78 78 HIS CA C 13 55.980 0.04 . 1 . . . . . 78 HIS CA . 50274 2 341 . 1 . 1 78 78 HIS CB C 13 30.620 0.08 . 1 . . . . . 78 HIS CB . 50274 2 342 . 1 . 1 79 79 SER H H 1 8.330 0.01 . 1 . . . . . 79 SER HN . 50274 2 343 . 1 . 1 79 79 SER CA C 13 56.360 0.04 . 1 . . . . . 79 SER CA . 50274 2 344 . 1 . 1 79 79 SER N N 15 118.801 0.02 . 1 . . . . . 79 SER N . 50274 2 345 . 1 . 1 80 80 PRO C C 13 177.000 0.02 . 1 . . . . . 80 PRO CO . 50274 2 346 . 1 . 1 80 80 PRO CA C 13 63.440 0.02 . 1 . . . . . 80 PRO CA . 50274 2 347 . 1 . 1 80 80 PRO CB C 13 32.190 0.08 . 1 . . . . . 80 PRO CB . 50274 2 348 . 1 . 1 81 81 SER H H 1 8.374 0.01 . 1 . . . . . 81 SER HN . 50274 2 349 . 1 . 1 81 81 SER C C 13 174.300 0.02 . 1 . . . . . 81 SER CO . 50274 2 350 . 1 . 1 81 81 SER CA C 13 58.360 0.04 . 1 . . . . . 81 SER CA . 50274 2 351 . 1 . 1 81 81 SER CB C 13 63.880 0.08 . 1 . . . . . 81 SER CB . 50274 2 352 . 1 . 1 81 81 SER N N 15 115.610 0.01 . 1 . . . . . 81 SER N . 50274 2 353 . 1 . 1 82 82 SER H H 1 8.265 0.01 . 1 . . . . . 82 SER HN . 50274 2 354 . 1 . 1 82 82 SER CA C 13 56.410 0.04 . 1 . . . . . 82 SER CA . 50274 2 355 . 1 . 1 82 82 SER N N 15 118.580 0.01 . 1 . . . . . 82 SER N . 50274 2 356 . 1 . 1 83 83 PRO C C 13 177.770 0.02 . 1 . . . . . 83 PRO CO . 50274 2 357 . 1 . 1 83 83 PRO CA C 13 63.790 0.02 . 1 . . . . . 83 PRO CA . 50274 2 358 . 1 . 1 83 83 PRO CB C 13 32.030 0.08 . 1 . . . . . 83 PRO CB . 50274 2 359 . 1 . 1 84 84 GLY H H 1 8.531 0.01 . 1 . . . . . 84 GLY HN . 50274 2 360 . 1 . 1 84 84 GLY C C 13 174.960 0.02 . 1 . . . . . 84 GLY CO . 50274 2 361 . 1 . 1 84 84 GLY CA C 13 45.320 0.04 . 1 . . . . . 84 GLY CA . 50274 2 362 . 1 . 1 84 84 GLY N N 15 109.470 0.02 . 1 . . . . . 84 GLY N . 50274 2 363 . 1 . 1 85 85 GLY H H 1 8.313 0.01 . 1 . . . . . 85 GLY HN . 50274 2 364 . 1 . 1 85 85 GLY C C 13 174.980 0.03 . 1 . . . . . 85 GLY CO . 50274 2 365 . 1 . 1 85 85 GLY CA C 13 45.324 0.04 . 1 . . . . . 85 GLY CA . 50274 2 366 . 1 . 1 85 85 GLY N N 15 108.820 0.01 . 1 . . . . . 85 GLY N . 50274 2 367 . 1 . 1 86 86 GLY H H 1 8.414 0.02 . 1 . . . . . 86 GLY HN . 50274 2 368 . 1 . 1 86 86 GLY C C 13 174.980 0.02 . 1 . . . . . 86 GLY CO . 50274 2 369 . 1 . 1 86 86 GLY CA C 13 45.333 0.04 . 1 . . . . . 86 GLY CA . 50274 2 370 . 1 . 1 86 86 GLY N N 15 108.900 0.03 . 1 . . . . . 86 GLY N . 50274 2 371 . 1 . 1 87 87 GLY H H 1 8.414 0.02 . 1 . . . . . 87 GLY HN . 50274 2 372 . 1 . 1 87 87 GLY C C 13 174.980 0.02 . 1 . . . . . 87 GLY CO . 50274 2 373 . 1 . 1 87 87 GLY CA C 13 45.330 0.04 . 1 . . . . . 87 GLY CA . 50274 2 374 . 1 . 1 87 87 GLY N N 15 108.900 0.03 . 1 . . . . . 87 GLY N . 50274 2 375 . 1 . 1 88 88 GLY H H 1 8.414 0.01 . 1 . . . . . 88 GLY HN . 50274 2 376 . 1 . 1 88 88 GLY C C 13 174.820 0.02 . 1 . . . . . 88 GLY CO . 50274 2 377 . 1 . 1 88 88 GLY CA C 13 45.330 0.04 . 1 . . . . . 88 GLY CA . 50274 2 378 . 1 . 1 88 88 GLY N N 15 108.944 0.02 . 1 . . . . . 88 GLY N . 50274 2 379 . 1 . 1 89 89 GLY H H 1 8.367 0.01 . 1 . . . . . 89 GLY HN . 50274 2 380 . 1 . 1 89 89 GLY C C 13 173.550 0.02 . 1 . . . . . 89 GLY CO . 50274 2 381 . 1 . 1 89 89 GLY CA C 13 45.270 0.04 . 1 . . . . . 89 GLY CA . 50274 2 382 . 1 . 1 89 89 GLY N N 15 109.400 0.02 . 1 . . . . . 89 GLY N . 50274 2 383 . 1 . 1 90 90 SER H H 1 7.927 0.01 . 1 . . . . . 90 SER HN . 50274 2 384 . 1 . 1 90 90 SER CA C 13 59.940 0.04 . 1 . . . . . 90 SER CA . 50274 2 385 . 1 . 1 90 90 SER N N 15 121.260 0.02 . 1 . . . . . 90 SER N . 50274 2 stop_ save_