data_5053 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5053 _Entry.Title ; Solution Structure of the Orphan PABC Domain from Saccharomyces cerevisiae Poly(A)-binding Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-06-12 _Entry.Accession_date 2001-06-12 _Entry.Last_release_date 2002-08-22 _Entry.Original_release_date 2002-08-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Guennadi Kozlov . . . 5053 2 Nadeem Siddiqui . . . 5053 3 Stephane Coillet-Matillon . . . 5053 4 Jean-Francois Trempe . . . 5053 5 Irena Ekiel . . . 5053 6 Tara Sprules . . . 5053 7 Kalle Gehring . . . 5053 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5053 coupling_constants 1 5053 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 504 5053 '13C chemical shifts' 174 5053 '15N chemical shifts' 85 5053 'coupling constants' 68 5053 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 . . 2002-08-22 2001-06-12 original author . 5053 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5053 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22063288 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution Structure of the Orphan PABC Domain from Saccharomyces cerevisiae Poly(A)-binding Protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 277 _Citation.Journal_issue 25 _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 22822 _Citation.Page_last 22828 _Citation.Year 2002 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Guennadi Kozlov . . . 5053 1 2 Nadeem Siddiqui . . . 5053 1 3 Stephane Coillet-Matillon . . . 5053 1 4 Jean-Francois Trempe . . . 5053 1 5 Irena Ekiel . . . 5053 1 6 Tara Sprules . . . 5053 1 7 Kalle Gehring . . . 5053 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_PABC_domain _Assembly.Sf_category assembly _Assembly.Sf_framecode system_PABC_domain _Assembly.Entry_ID 5053 _Assembly.ID 1 _Assembly.Name 'C-terminal domain of Pab1p' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5053 1 stop_ 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 'PABC domain' 1 $PABC . . . native . . . . . 5053 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1IFW . . . . . . 5053 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'C-terminal domain of Pab1p' system 5053 1 'PABC domain' abbreviation 5053 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PABC _Entity.Sf_category entity _Entity.Sf_framecode PABC _Entity.Entry_ID 5053 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'C-terminal domain of Pab1p' _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 ; GPLGSPRNANDNNQFYQQKQ RQALGEQLYKKVSAKTSNEE AAGKITGMILDLPPQEVFPL LESDELFEQHYKEASAAYES FKKEQEQQTEQA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10434 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1IFW . "Solution Structure Of C-Terminal Domain Of Poly(A) Binding Protein From Saccharomyces Cerevisiae" . . . . . 100.00 92 100.00 100.00 2.98e-58 . . . . 5053 1 2 no DBJ BAA00017 . "polyadenylate-binding protein [Saccharomyces cerevisiae]" . . . . . 96.74 577 98.88 98.88 5.85e-50 . . . . 5053 1 3 no DBJ GAA22994 . "K7_Pab1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 96.74 577 97.75 98.88 3.23e-49 . . . . 5053 1 4 no EMBL CAY79353 . "Pab1p [Saccharomyces cerevisiae EC1118]" . . . . . 96.74 577 98.88 98.88 5.85e-50 . . . . 5053 1 5 no GB AAA34787 . "poly (A)-binding protein [Saccharomyces cerevisiae]" . . . . . 96.74 577 98.88 98.88 5.85e-50 . . . . 5053 1 6 no GB AAA34838 . "polyadenylate-binding protein [Saccharomyces cerevisiae]" . . . . . 96.74 577 98.88 98.88 5.97e-50 . . . . 5053 1 7 no GB AAB64692 . "Pab1p: polyadenylate-binding protein [Saccharomyces cerevisiae]" . . . . . 96.74 577 98.88 98.88 5.85e-50 . . . . 5053 1 8 no GB AAT92873 . "YER165W [Saccharomyces cerevisiae]" . . . . . 96.74 577 98.88 98.88 5.85e-50 . . . . 5053 1 9 no GB AHY75721 . "Pab1p [Saccharomyces cerevisiae YJM993]" . . . . . 96.74 577 98.88 98.88 5.85e-50 . . . . 5053 1 10 no REF NP_011092 . "polyadenylate-binding protein [Saccharomyces cerevisiae S288c]" . . . . . 96.74 577 98.88 98.88 5.85e-50 . . . . 5053 1 11 no REF XP_011103263 . "pab1p [Saccharomyces arboricola H-6]" . . . . . 96.74 577 97.75 98.88 1.83e-49 . . . . 5053 1 12 no SP P04147 . "RecName: Full=Polyadenylate-binding protein, cytoplasmic and nuclear; Short=PABP; Short=Poly(A)-binding protein; AltName: Full=" . . . . . 96.74 577 98.88 98.88 5.85e-50 . . . . 5053 1 13 no TPG DAA07827 . "TPA: polyadenylate-binding protein [Saccharomyces cerevisiae S288c]" . . . . . 96.74 577 98.88 98.88 5.85e-50 . . . . 5053 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'C-terminal domain of Pab1p' common 5053 1 'PABC domain' abbreviation 5053 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 . 5053 1 2 . PRO . 5053 1 3 . LEU . 5053 1 4 . GLY . 5053 1 5 . SER . 5053 1 6 . PRO . 5053 1 7 . ARG . 5053 1 8 . ASN . 5053 1 9 . ALA . 5053 1 10 . ASN . 5053 1 11 . ASP . 5053 1 12 . ASN . 5053 1 13 . ASN . 5053 1 14 . GLN . 5053 1 15 . PHE . 5053 1 16 . TYR . 5053 1 17 . GLN . 5053 1 18 . GLN . 5053 1 19 . LYS . 5053 1 20 . GLN . 5053 1 21 . ARG . 5053 1 22 . GLN . 5053 1 23 . ALA . 5053 1 24 . LEU . 5053 1 25 . GLY . 5053 1 26 . GLU . 5053 1 27 . GLN . 5053 1 28 . LEU . 5053 1 29 . TYR . 5053 1 30 . LYS . 5053 1 31 . LYS . 5053 1 32 . VAL . 5053 1 33 . SER . 5053 1 34 . ALA . 5053 1 35 . LYS . 5053 1 36 . THR . 5053 1 37 . SER . 5053 1 38 . ASN . 5053 1 39 . GLU . 5053 1 40 . GLU . 5053 1 41 . ALA . 5053 1 42 . ALA . 5053 1 43 . GLY . 5053 1 44 . LYS . 5053 1 45 . ILE . 5053 1 46 . THR . 5053 1 47 . GLY . 5053 1 48 . MET . 5053 1 49 . ILE . 5053 1 50 . LEU . 5053 1 51 . ASP . 5053 1 52 . LEU . 5053 1 53 . PRO . 5053 1 54 . PRO . 5053 1 55 . GLN . 5053 1 56 . GLU . 5053 1 57 . VAL . 5053 1 58 . PHE . 5053 1 59 . PRO . 5053 1 60 . LEU . 5053 1 61 . LEU . 5053 1 62 . GLU . 5053 1 63 . SER . 5053 1 64 . ASP . 5053 1 65 . GLU . 5053 1 66 . LEU . 5053 1 67 . PHE . 5053 1 68 . GLU . 5053 1 69 . GLN . 5053 1 70 . HIS . 5053 1 71 . TYR . 5053 1 72 . LYS . 5053 1 73 . GLU . 5053 1 74 . ALA . 5053 1 75 . SER . 5053 1 76 . ALA . 5053 1 77 . ALA . 5053 1 78 . TYR . 5053 1 79 . GLU . 5053 1 80 . SER . 5053 1 81 . PHE . 5053 1 82 . LYS . 5053 1 83 . LYS . 5053 1 84 . GLU . 5053 1 85 . GLN . 5053 1 86 . GLU . 5053 1 87 . GLN . 5053 1 88 . GLN . 5053 1 89 . THR . 5053 1 90 . GLU . 5053 1 91 . GLN . 5053 1 92 . ALA . 5053 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 5053 1 . PRO 2 2 5053 1 . LEU 3 3 5053 1 . GLY 4 4 5053 1 . SER 5 5 5053 1 . PRO 6 6 5053 1 . ARG 7 7 5053 1 . ASN 8 8 5053 1 . ALA 9 9 5053 1 . ASN 10 10 5053 1 . ASP 11 11 5053 1 . ASN 12 12 5053 1 . ASN 13 13 5053 1 . GLN 14 14 5053 1 . PHE 15 15 5053 1 . TYR 16 16 5053 1 . GLN 17 17 5053 1 . GLN 18 18 5053 1 . LYS 19 19 5053 1 . GLN 20 20 5053 1 . ARG 21 21 5053 1 . GLN 22 22 5053 1 . ALA 23 23 5053 1 . LEU 24 24 5053 1 . GLY 25 25 5053 1 . GLU 26 26 5053 1 . GLN 27 27 5053 1 . LEU 28 28 5053 1 . TYR 29 29 5053 1 . LYS 30 30 5053 1 . LYS 31 31 5053 1 . VAL 32 32 5053 1 . SER 33 33 5053 1 . ALA 34 34 5053 1 . LYS 35 35 5053 1 . THR 36 36 5053 1 . SER 37 37 5053 1 . ASN 38 38 5053 1 . GLU 39 39 5053 1 . GLU 40 40 5053 1 . ALA 41 41 5053 1 . ALA 42 42 5053 1 . GLY 43 43 5053 1 . LYS 44 44 5053 1 . ILE 45 45 5053 1 . THR 46 46 5053 1 . GLY 47 47 5053 1 . MET 48 48 5053 1 . ILE 49 49 5053 1 . LEU 50 50 5053 1 . ASP 51 51 5053 1 . LEU 52 52 5053 1 . PRO 53 53 5053 1 . PRO 54 54 5053 1 . GLN 55 55 5053 1 . GLU 56 56 5053 1 . VAL 57 57 5053 1 . PHE 58 58 5053 1 . PRO 59 59 5053 1 . LEU 60 60 5053 1 . LEU 61 61 5053 1 . GLU 62 62 5053 1 . SER 63 63 5053 1 . ASP 64 64 5053 1 . GLU 65 65 5053 1 . LEU 66 66 5053 1 . PHE 67 67 5053 1 . GLU 68 68 5053 1 . GLN 69 69 5053 1 . HIS 70 70 5053 1 . TYR 71 71 5053 1 . LYS 72 72 5053 1 . GLU 73 73 5053 1 . ALA 74 74 5053 1 . SER 75 75 5053 1 . ALA 76 76 5053 1 . ALA 77 77 5053 1 . TYR 78 78 5053 1 . GLU 79 79 5053 1 . SER 80 80 5053 1 . PHE 81 81 5053 1 . LYS 82 82 5053 1 . LYS 83 83 5053 1 . GLU 84 84 5053 1 . GLN 85 85 5053 1 . GLU 86 86 5053 1 . GLN 87 87 5053 1 . GLN 88 88 5053 1 . THR 89 89 5053 1 . GLU 90 90 5053 1 . GLN 91 91 5053 1 . ALA 92 92 5053 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5053 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $PABC . 4932 . . 'Saccharomyces cerevisiae' Yeast . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 5053 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 5053 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $PABC . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5053 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5053 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'C-terminal domain of Pab1p' [U-15N] . . 1 $PABC . . 3.0 . . mM . . . . 5053 1 2 NaCl . . . . . . . 150 . . mM . . . . 5053 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5053 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'C-terminal domain of Pab1p' . . . 1 $PABC . . 3.0 . . mM . . . . 5053 2 2 NaCl . . . . . . . 150 . . mM . . . . 5053 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5053 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'C-terminal domain of Pab1p' '[U-13C; U-15N]' . . 1 $PABC . . 3.0 . . mM . . . . 5053 3 2 NaCl . . . . . . . 150 . . mM . . . . 5053 3 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 5053 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.3 0.1 n/a 5053 1 temperature 303 1 K 5053 1 'ionic strength' 0.15 0.02 M 5053 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5053 _Software.ID 1 _Software.Name XWINNMR _Software.Version 2.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data collection' 5053 1 stop_ save_ save_GIFA _Software.Sf_category software _Software.Sf_framecode GIFA _Software.Entry_ID 5053 _Software.ID 2 _Software.Name GIFA _Software.Version 4.31 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 5053 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5053 _Software.ID 3 _Software.Name XEASY _Software.Version 1.3.13 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5053 3 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 5053 _Software.ID 4 _Software.Name ARIA _Software.Version 0.9 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automated NOE assignment' 5053 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 5053 _Software.ID 5 _Software.Name CNS _Software.Version 0.9 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5053 5 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 5053 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5053 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5053 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 500 . . . 5053 1 2 NMR_spectrometer_2 Varian UnityPlus . 750 . . . 5053 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5053 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5053 1 2 '3D 1H-1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5053 1 3 '3D 1H-1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5053 1 4 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5053 1 5 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5053 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5053 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5053 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 1H-1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5053 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 1H-1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5053 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5053 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5053 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5053 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5053 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5053 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5053 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5053 1 . . 2 $sample_2 . 5053 1 . . 3 $sample_3 . 5053 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO CA C 13 63.3 0.20 . 1 . . . . . . . . 5053 1 2 . 1 1 2 2 PRO HA H 1 4.47 0.02 . 1 . . . . . . . . 5053 1 3 . 1 1 2 2 PRO CB C 13 32.5 0.20 . 1 . . . . . . . . 5053 1 4 . 1 1 3 3 LEU N N 15 122.6 0.25 . 1 . . . . . . . . 5053 1 5 . 1 1 3 3 LEU H H 1 8.47 0.02 . 1 . . . . . . . . 5053 1 6 . 1 1 3 3 LEU CA C 13 55.6 0.20 . 1 . . . . . . . . 5053 1 7 . 1 1 3 3 LEU HA H 1 4.34 0.02 . 1 . . . . . . . . 5053 1 8 . 1 1 3 3 LEU CB C 13 42.5 0.20 . 1 . . . . . . . . 5053 1 9 . 1 1 3 3 LEU HB2 H 1 1.68 0.02 . 1 . . . . . . . . 5053 1 10 . 1 1 3 3 LEU HB3 H 1 1.68 0.02 . 1 . . . . . . . . 5053 1 11 . 1 1 4 4 GLY N N 15 110.1 0.25 . 1 . . . . . . . . 5053 1 12 . 1 1 4 4 GLY H H 1 8.35 0.02 . 1 . . . . . . . . 5053 1 13 . 1 1 4 4 GLY CA C 13 45.2 0.20 . 1 . . . . . . . . 5053 1 14 . 1 1 4 4 GLY HA2 H 1 3.96 0.02 . 1 . . . . . . . . 5053 1 15 . 1 1 4 4 GLY HA3 H 1 3.96 0.02 . 1 . . . . . . . . 5053 1 16 . 1 1 5 5 SER N N 15 117.2 0.25 . 1 . . . . . . . . 5053 1 17 . 1 1 5 5 SER H H 1 8.15 0.02 . 1 . . . . . . . . 5053 1 18 . 1 1 5 5 SER CA C 13 56.6 0.20 . 1 . . . . . . . . 5053 1 19 . 1 1 5 5 SER HA H 1 3.83 0.02 . 1 . . . . . . . . 5053 1 20 . 1 1 5 5 SER CB C 13 63.6 0.20 . 1 . . . . . . . . 5053 1 21 . 1 1 6 6 PRO CA C 13 63.5 0.20 . 1 . . . . . . . . 5053 1 22 . 1 1 6 6 PRO CB C 13 32.3 0.20 . 1 . . . . . . . . 5053 1 23 . 1 1 7 7 ARG N N 15 121.5 0.25 . 1 . . . . . . . . 5053 1 24 . 1 1 7 7 ARG H H 1 8.41 0.02 . 1 . . . . . . . . 5053 1 25 . 1 1 7 7 ARG CA C 13 56.5 0.20 . 1 . . . . . . . . 5053 1 26 . 1 1 7 7 ARG HA H 1 4.27 0.02 . 1 . . . . . . . . 5053 1 27 . 1 1 7 7 ARG CB C 13 30.9 0.20 . 1 . . . . . . . . 5053 1 28 . 1 1 7 7 ARG HB2 H 1 1.81 0.02 . 2 . . . . . . . . 5053 1 29 . 1 1 7 7 ARG HB3 H 1 1.73 0.02 . 2 . . . . . . . . 5053 1 30 . 1 1 7 7 ARG HG2 H 1 1.63 0.02 . 1 . . . . . . . . 5053 1 31 . 1 1 7 7 ARG HG3 H 1 1.63 0.02 . 1 . . . . . . . . 5053 1 32 . 1 1 8 8 ASN N N 15 120.2 0.25 . 1 . . . . . . . . 5053 1 33 . 1 1 8 8 ASN H H 1 8.43 0.02 . 1 . . . . . . . . 5053 1 34 . 1 1 8 8 ASN CA C 13 53.3 0.20 . 1 . . . . . . . . 5053 1 35 . 1 1 8 8 ASN HA H 1 4.69 0.02 . 1 . . . . . . . . 5053 1 36 . 1 1 8 8 ASN CB C 13 39.2 0.20 . 1 . . . . . . . . 5053 1 37 . 1 1 8 8 ASN HB2 H 1 2.86 0.02 . 2 . . . . . . . . 5053 1 38 . 1 1 8 8 ASN HB3 H 1 2.78 0.02 . 2 . . . . . . . . 5053 1 39 . 1 1 9 9 ALA N N 15 124.9 0.25 . 1 . . . . . . . . 5053 1 40 . 1 1 9 9 ALA H H 1 8.34 0.02 . 1 . . . . . . . . 5053 1 41 . 1 1 9 9 ALA CA C 13 53.3 0.20 . 1 . . . . . . . . 5053 1 42 . 1 1 9 9 ALA HA H 1 4.26 0.02 . 1 . . . . . . . . 5053 1 43 . 1 1 9 9 ALA CB C 13 19.4 0.20 . 1 . . . . . . . . 5053 1 44 . 1 1 9 9 ALA HB1 H 1 1.38 0.02 . 1 . . . . . . . . 5053 1 45 . 1 1 9 9 ALA HB2 H 1 1.38 0.02 . 1 . . . . . . . . 5053 1 46 . 1 1 9 9 ALA HB3 H 1 1.38 0.02 . 1 . . . . . . . . 5053 1 47 . 1 1 10 10 ASN N N 15 117.2 0.25 . 1 . . . . . . . . 5053 1 48 . 1 1 10 10 ASN H H 1 8.38 0.02 . 1 . . . . . . . . 5053 1 49 . 1 1 10 10 ASN CA C 13 53.6 0.20 . 1 . . . . . . . . 5053 1 50 . 1 1 10 10 ASN HA H 1 4.67 0.02 . 1 . . . . . . . . 5053 1 51 . 1 1 10 10 ASN CB C 13 38.9 0.20 . 1 . . . . . . . . 5053 1 52 . 1 1 10 10 ASN HB2 H 1 2.82 0.02 . 2 . . . . . . . . 5053 1 53 . 1 1 10 10 ASN HB3 H 1 2.72 0.02 . 2 . . . . . . . . 5053 1 54 . 1 1 11 11 ASP N N 15 120.6 0.25 . 1 . . . . . . . . 5053 1 55 . 1 1 11 11 ASP H H 1 8.09 0.02 . 1 . . . . . . . . 5053 1 56 . 1 1 11 11 ASP CA C 13 54.7 0.20 . 1 . . . . . . . . 5053 1 57 . 1 1 11 11 ASP HA H 1 4.57 0.02 . 1 . . . . . . . . 5053 1 58 . 1 1 11 11 ASP CB C 13 41.2 0.20 . 1 . . . . . . . . 5053 1 59 . 1 1 11 11 ASP HB2 H 1 2.67 0.02 . 1 . . . . . . . . 5053 1 60 . 1 1 11 11 ASP HB3 H 1 2.67 0.02 . 1 . . . . . . . . 5053 1 61 . 1 1 12 12 ASN N N 15 119.2 0.25 . 1 . . . . . . . . 5053 1 62 . 1 1 12 12 ASN H H 1 8.34 0.02 . 1 . . . . . . . . 5053 1 63 . 1 1 12 12 ASN CA C 13 53.8 0.20 . 1 . . . . . . . . 5053 1 64 . 1 1 12 12 ASN HA H 1 4.67 0.02 . 1 . . . . . . . . 5053 1 65 . 1 1 12 12 ASN CB C 13 38.9 0.20 . 1 . . . . . . . . 5053 1 66 . 1 1 12 12 ASN HB2 H 1 2.79 0.02 . 2 . . . . . . . . 5053 1 67 . 1 1 12 12 ASN HB3 H 1 2.68 0.02 . 2 . . . . . . . . 5053 1 68 . 1 1 13 13 ASN N N 15 119.2 0.25 . 1 . . . . . . . . 5053 1 69 . 1 1 13 13 ASN H H 1 8.36 0.02 . 1 . . . . . . . . 5053 1 70 . 1 1 13 13 ASN CA C 13 54.3 0.20 . 1 . . . . . . . . 5053 1 71 . 1 1 13 13 ASN HA H 1 4.66 0.02 . 1 . . . . . . . . 5053 1 72 . 1 1 13 13 ASN CB C 13 38.9 0.20 . 1 . . . . . . . . 5053 1 73 . 1 1 13 13 ASN HB2 H 1 2.84 0.02 . 1 . . . . . . . . 5053 1 74 . 1 1 13 13 ASN HB3 H 1 2.84 0.02 . 1 . . . . . . . . 5053 1 75 . 1 1 14 14 GLN N N 15 120.5 0.25 . 1 . . . . . . . . 5053 1 76 . 1 1 14 14 GLN H H 1 8.35 0.02 . 1 . . . . . . . . 5053 1 77 . 1 1 14 14 GLN CA C 13 57.4 0.20 . 1 . . . . . . . . 5053 1 78 . 1 1 14 14 GLN HA H 1 4.18 0.02 . 1 . . . . . . . . 5053 1 79 . 1 1 14 14 GLN CB C 13 28.9 0.20 . 1 . . . . . . . . 5053 1 80 . 1 1 14 14 GLN HB2 H 1 1.98 0.02 . 2 . . . . . . . . 5053 1 81 . 1 1 14 14 GLN HB3 H 1 1.94 0.02 . 2 . . . . . . . . 5053 1 82 . 1 1 14 14 GLN HG2 H 1 2.22 0.02 . 1 . . . . . . . . 5053 1 83 . 1 1 14 14 GLN HG3 H 1 2.22 0.02 . 1 . . . . . . . . 5053 1 84 . 1 1 15 15 PHE N N 15 120.3 0.25 . 1 . . . . . . . . 5053 1 85 . 1 1 15 15 PHE H H 1 8.14 0.02 . 1 . . . . . . . . 5053 1 86 . 1 1 15 15 PHE CA C 13 59.4 0.20 . 1 . . . . . . . . 5053 1 87 . 1 1 15 15 PHE HA H 1 4.47 0.02 . 1 . . . . . . . . 5053 1 88 . 1 1 15 15 PHE CB C 13 39.2 0.20 . 1 . . . . . . . . 5053 1 89 . 1 1 15 15 PHE HB2 H 1 3.05 0.02 . 1 . . . . . . . . 5053 1 90 . 1 1 15 15 PHE HB3 H 1 3.05 0.02 . 1 . . . . . . . . 5053 1 91 . 1 1 15 15 PHE HD1 H 1 7.12 0.02 . 3 . . . . . . . . 5053 1 92 . 1 1 16 16 TYR N N 15 120.2 0.25 . 1 . . . . . . . . 5053 1 93 . 1 1 16 16 TYR H H 1 8.01 0.02 . 1 . . . . . . . . 5053 1 94 . 1 1 16 16 TYR CA C 13 59.7 0.20 . 1 . . . . . . . . 5053 1 95 . 1 1 16 16 TYR HA H 1 4.36 0.02 . 1 . . . . . . . . 5053 1 96 . 1 1 16 16 TYR CB C 13 38.8 0.20 . 1 . . . . . . . . 5053 1 97 . 1 1 16 16 TYR HB2 H 1 3.06 0.02 . 2 . . . . . . . . 5053 1 98 . 1 1 16 16 TYR HB3 H 1 3.02 0.02 . 2 . . . . . . . . 5053 1 99 . 1 1 16 16 TYR HD1 H 1 7.12 0.02 . 3 . . . . . . . . 5053 1 100 . 1 1 16 16 TYR HE1 H 1 6.82 0.02 . 3 . . . . . . . . 5053 1 101 . 1 1 17 17 GLN N N 15 120.3 0.25 . 1 . . . . . . . . 5053 1 102 . 1 1 17 17 GLN H H 1 8.25 0.02 . 1 . . . . . . . . 5053 1 103 . 1 1 17 17 GLN CA C 13 57.6 0.20 . 1 . . . . . . . . 5053 1 104 . 1 1 17 17 GLN HA H 1 4.16 0.02 . 1 . . . . . . . . 5053 1 105 . 1 1 17 17 GLN HB2 H 1 2.17 0.02 . 2 . . . . . . . . 5053 1 106 . 1 1 17 17 GLN HB3 H 1 2.06 0.02 . 2 . . . . . . . . 5053 1 107 . 1 1 17 17 GLN HG2 H 1 2.42 0.02 . 1 . . . . . . . . 5053 1 108 . 1 1 17 17 GLN HG3 H 1 2.42 0.02 . 1 . . . . . . . . 5053 1 109 . 1 1 18 18 GLN N N 15 121.0 0.25 . 1 . . . . . . . . 5053 1 110 . 1 1 18 18 GLN H H 1 8.32 0.02 . 1 . . . . . . . . 5053 1 111 . 1 1 18 18 GLN CA C 13 58.5 0.20 . 1 . . . . . . . . 5053 1 112 . 1 1 18 18 GLN HA H 1 4.13 0.02 . 1 . . . . . . . . 5053 1 113 . 1 1 18 18 GLN CB C 13 28.7 0.20 . 1 . . . . . . . . 5053 1 114 . 1 1 18 18 GLN HB2 H 1 2.13 0.02 . 1 . . . . . . . . 5053 1 115 . 1 1 18 18 GLN HB3 H 1 2.13 0.02 . 1 . . . . . . . . 5053 1 116 . 1 1 18 18 GLN HG2 H 1 2.42 0.02 . 1 . . . . . . . . 5053 1 117 . 1 1 18 18 GLN HG3 H 1 2.42 0.02 . 1 . . . . . . . . 5053 1 118 . 1 1 19 19 LYS N N 15 120.7 0.25 . 1 . . . . . . . . 5053 1 119 . 1 1 19 19 LYS H H 1 8.23 0.02 . 1 . . . . . . . . 5053 1 120 . 1 1 19 19 LYS CA C 13 58.6 0.20 . 1 . . . . . . . . 5053 1 121 . 1 1 19 19 LYS HA H 1 4.11 0.02 . 1 . . . . . . . . 5053 1 122 . 1 1 19 19 LYS CB C 13 32.4 0.20 . 1 . . . . . . . . 5053 1 123 . 1 1 19 19 LYS HB2 H 1 1.80 0.02 . 1 . . . . . . . . 5053 1 124 . 1 1 19 19 LYS HB3 H 1 1.80 0.02 . 1 . . . . . . . . 5053 1 125 . 1 1 19 19 LYS HG2 H 1 1.43 0.02 . 2 . . . . . . . . 5053 1 126 . 1 1 19 19 LYS HG3 H 1 1.35 0.02 . 2 . . . . . . . . 5053 1 127 . 1 1 20 20 GLN N N 15 119.8 0.25 . 1 . . . . . . . . 5053 1 128 . 1 1 20 20 GLN H H 1 8.07 0.02 . 1 . . . . . . . . 5053 1 129 . 1 1 20 20 GLN CA C 13 58.2 0.20 . 1 . . . . . . . . 5053 1 130 . 1 1 20 20 GLN HA H 1 4.22 0.02 . 1 . . . . . . . . 5053 1 131 . 1 1 20 20 GLN CB C 13 29.4 0.20 . 1 . . . . . . . . 5053 1 132 . 1 1 20 20 GLN HB2 H 1 2.13 0.02 . 2 . . . . . . . . 5053 1 133 . 1 1 20 20 GLN HB3 H 1 2.04 0.02 . 2 . . . . . . . . 5053 1 134 . 1 1 20 20 GLN HG2 H 1 2.38 0.02 . 2 . . . . . . . . 5053 1 135 . 1 1 20 20 GLN HG3 H 1 2.29 0.02 . 2 . . . . . . . . 5053 1 136 . 1 1 21 21 ARG N N 15 121.0 0.25 . 1 . . . . . . . . 5053 1 137 . 1 1 21 21 ARG H H 1 8.17 0.02 . 1 . . . . . . . . 5053 1 138 . 1 1 21 21 ARG CA C 13 59.4 0.20 . 1 . . . . . . . . 5053 1 139 . 1 1 21 21 ARG HA H 1 4.03 0.02 . 1 . . . . . . . . 5053 1 140 . 1 1 21 21 ARG CB C 13 30.5 0.20 . 1 . . . . . . . . 5053 1 141 . 1 1 21 21 ARG HB2 H 1 1.88 0.02 . 1 . . . . . . . . 5053 1 142 . 1 1 21 21 ARG HB3 H 1 1.88 0.02 . 1 . . . . . . . . 5053 1 143 . 1 1 21 21 ARG HG2 H 1 1.70 0.02 . 2 . . . . . . . . 5053 1 144 . 1 1 21 21 ARG HG3 H 1 1.62 0.02 . 2 . . . . . . . . 5053 1 145 . 1 1 21 21 ARG HD2 H 1 3.21 0.02 . 1 . . . . . . . . 5053 1 146 . 1 1 21 21 ARG HD3 H 1 3.21 0.02 . 1 . . . . . . . . 5053 1 147 . 1 1 22 22 GLN N N 15 120.0 0.25 . 1 . . . . . . . . 5053 1 148 . 1 1 22 22 GLN H H 1 8.21 0.02 . 1 . . . . . . . . 5053 1 149 . 1 1 22 22 GLN CA C 13 58.6 0.20 . 1 . . . . . . . . 5053 1 150 . 1 1 22 22 GLN HA H 1 4.10 0.02 . 1 . . . . . . . . 5053 1 151 . 1 1 22 22 GLN CB C 13 28.6 0.20 . 1 . . . . . . . . 5053 1 152 . 1 1 22 22 GLN HB2 H 1 2.15 0.02 . 1 . . . . . . . . 5053 1 153 . 1 1 22 22 GLN HB3 H 1 2.15 0.02 . 1 . . . . . . . . 5053 1 154 . 1 1 22 22 GLN HG2 H 1 2.44 0.02 . 2 . . . . . . . . 5053 1 155 . 1 1 22 22 GLN HG3 H 1 2.40 0.02 . 2 . . . . . . . . 5053 1 156 . 1 1 23 23 ALA N N 15 123.1 0.25 . 1 . . . . . . . . 5053 1 157 . 1 1 23 23 ALA H H 1 7.96 0.02 . 1 . . . . . . . . 5053 1 158 . 1 1 23 23 ALA CA C 13 54.9 0.20 . 1 . . . . . . . . 5053 1 159 . 1 1 23 23 ALA HA H 1 4.25 0.02 . 1 . . . . . . . . 5053 1 160 . 1 1 23 23 ALA CB C 13 18.5 0.20 . 1 . . . . . . . . 5053 1 161 . 1 1 23 23 ALA HB1 H 1 1.52 0.02 . 1 . . . . . . . . 5053 1 162 . 1 1 23 23 ALA HB2 H 1 1.52 0.02 . 1 . . . . . . . . 5053 1 163 . 1 1 23 23 ALA HB3 H 1 1.52 0.02 . 1 . . . . . . . . 5053 1 164 . 1 1 24 24 LEU N N 15 120.2 0.25 . 1 . . . . . . . . 5053 1 165 . 1 1 24 24 LEU H H 1 8.16 0.02 . 1 . . . . . . . . 5053 1 166 . 1 1 24 24 LEU CA C 13 58.1 0.20 . 1 . . . . . . . . 5053 1 167 . 1 1 24 24 LEU HA H 1 4.08 0.02 . 1 . . . . . . . . 5053 1 168 . 1 1 24 24 LEU CB C 13 42.3 0.20 . 1 . . . . . . . . 5053 1 169 . 1 1 24 24 LEU HB2 H 1 1.74 0.02 . 2 . . . . . . . . 5053 1 170 . 1 1 24 24 LEU HB3 H 1 1.54 0.02 . 2 . . . . . . . . 5053 1 171 . 1 1 24 24 LEU HD11 H 1 0.69 0.02 . 2 . . . . . . . . 5053 1 172 . 1 1 24 24 LEU HD12 H 1 0.69 0.02 . 2 . . . . . . . . 5053 1 173 . 1 1 24 24 LEU HD13 H 1 0.69 0.02 . 2 . . . . . . . . 5053 1 174 . 1 1 24 24 LEU HD21 H 1 0.61 0.02 . 2 . . . . . . . . 5053 1 175 . 1 1 24 24 LEU HD22 H 1 0.61 0.02 . 2 . . . . . . . . 5053 1 176 . 1 1 24 24 LEU HD23 H 1 0.61 0.02 . 2 . . . . . . . . 5053 1 177 . 1 1 25 25 GLY N N 15 106.2 0.25 . 1 . . . . . . . . 5053 1 178 . 1 1 25 25 GLY H H 1 8.41 0.02 . 1 . . . . . . . . 5053 1 179 . 1 1 25 25 GLY CA C 13 48.5 0.20 . 1 . . . . . . . . 5053 1 180 . 1 1 25 25 GLY HA2 H 1 3.99 0.02 . 2 . . . . . . . . 5053 1 181 . 1 1 25 25 GLY HA3 H 1 3.65 0.02 . 2 . . . . . . . . 5053 1 182 . 1 1 26 26 GLU N N 15 122.1 0.25 . 1 . . . . . . . . 5053 1 183 . 1 1 26 26 GLU H H 1 8.02 0.02 . 1 . . . . . . . . 5053 1 184 . 1 1 26 26 GLU CA C 13 59.5 0.20 . 1 . . . . . . . . 5053 1 185 . 1 1 26 26 GLU HA H 1 4.12 0.02 . 1 . . . . . . . . 5053 1 186 . 1 1 26 26 GLU CB C 13 30.0 0.20 . 1 . . . . . . . . 5053 1 187 . 1 1 26 26 GLU HB2 H 1 2.19 0.02 . 2 . . . . . . . . 5053 1 188 . 1 1 26 26 GLU HB3 H 1 2.09 0.02 . 2 . . . . . . . . 5053 1 189 . 1 1 26 26 GLU HG2 H 1 2.45 0.02 . 1 . . . . . . . . 5053 1 190 . 1 1 26 26 GLU HG3 H 1 2.45 0.02 . 1 . . . . . . . . 5053 1 191 . 1 1 27 27 GLN N N 15 118.4 0.25 . 1 . . . . . . . . 5053 1 192 . 1 1 27 27 GLN H H 1 7.86 0.02 . 1 . . . . . . . . 5053 1 193 . 1 1 27 27 GLN CA C 13 58.8 0.20 . 1 . . . . . . . . 5053 1 194 . 1 1 27 27 GLN HA H 1 4.09 0.02 . 1 . . . . . . . . 5053 1 195 . 1 1 27 27 GLN CB C 13 29.4 0.20 . 1 . . . . . . . . 5053 1 196 . 1 1 27 27 GLN HB2 H 1 2.17 0.02 . 2 . . . . . . . . 5053 1 197 . 1 1 27 27 GLN HB3 H 1 2.12 0.02 . 2 . . . . . . . . 5053 1 198 . 1 1 27 27 GLN HG2 H 1 2.58 0.02 . 2 . . . . . . . . 5053 1 199 . 1 1 27 27 GLN HG3 H 1 2.42 0.02 . 2 . . . . . . . . 5053 1 200 . 1 1 28 28 LEU N N 15 120.8 0.25 . 1 . . . . . . . . 5053 1 201 . 1 1 28 28 LEU H H 1 8.72 0.02 . 1 . . . . . . . . 5053 1 202 . 1 1 28 28 LEU CA C 13 58.0 0.20 . 1 . . . . . . . . 5053 1 203 . 1 1 28 28 LEU HA H 1 3.93 0.02 . 1 . . . . . . . . 5053 1 204 . 1 1 28 28 LEU CB C 13 42.8 0.20 . 1 . . . . . . . . 5053 1 205 . 1 1 28 28 LEU HB2 H 1 1.76 0.02 . 2 . . . . . . . . 5053 1 206 . 1 1 28 28 LEU HB3 H 1 1.71 0.02 . 2 . . . . . . . . 5053 1 207 . 1 1 28 28 LEU HD11 H 1 0.92 0.02 . 1 . . . . . . . . 5053 1 208 . 1 1 28 28 LEU HD12 H 1 0.92 0.02 . 1 . . . . . . . . 5053 1 209 . 1 1 28 28 LEU HD13 H 1 0.92 0.02 . 1 . . . . . . . . 5053 1 210 . 1 1 28 28 LEU HD21 H 1 0.92 0.02 . 1 . . . . . . . . 5053 1 211 . 1 1 28 28 LEU HD22 H 1 0.92 0.02 . 1 . . . . . . . . 5053 1 212 . 1 1 28 28 LEU HD23 H 1 0.92 0.02 . 1 . . . . . . . . 5053 1 213 . 1 1 29 29 TYR N N 15 120.5 0.25 . 1 . . . . . . . . 5053 1 214 . 1 1 29 29 TYR H H 1 8.76 0.02 . 1 . . . . . . . . 5053 1 215 . 1 1 29 29 TYR CA C 13 61.6 0.20 . 1 . . . . . . . . 5053 1 216 . 1 1 29 29 TYR HA H 1 4.33 0.02 . 1 . . . . . . . . 5053 1 217 . 1 1 29 29 TYR CB C 13 38.7 0.20 . 1 . . . . . . . . 5053 1 218 . 1 1 29 29 TYR HB2 H 1 3.28 0.02 . 2 . . . . . . . . 5053 1 219 . 1 1 29 29 TYR HB3 H 1 3.03 0.02 . 2 . . . . . . . . 5053 1 220 . 1 1 29 29 TYR HD1 H 1 7.05 0.02 . 3 . . . . . . . . 5053 1 221 . 1 1 29 29 TYR HE1 H 1 6.64 0.02 . 3 . . . . . . . . 5053 1 222 . 1 1 30 30 LYS N N 15 119.2 0.25 . 1 . . . . . . . . 5053 1 223 . 1 1 30 30 LYS H H 1 7.64 0.02 . 1 . . . . . . . . 5053 1 224 . 1 1 30 30 LYS CA C 13 59.9 0.20 . 1 . . . . . . . . 5053 1 225 . 1 1 30 30 LYS HA H 1 3.83 0.02 . 1 . . . . . . . . 5053 1 226 . 1 1 30 30 LYS CB C 13 32.6 0.20 . 1 . . . . . . . . 5053 1 227 . 1 1 30 30 LYS HB2 H 1 1.92 0.02 . 1 . . . . . . . . 5053 1 228 . 1 1 30 30 LYS HB3 H 1 1.92 0.02 . 1 . . . . . . . . 5053 1 229 . 1 1 30 30 LYS HG2 H 1 1.71 0.02 . 1 . . . . . . . . 5053 1 230 . 1 1 30 30 LYS HG3 H 1 1.71 0.02 . 1 . . . . . . . . 5053 1 231 . 1 1 30 30 LYS HD2 H 1 1.49 0.02 . 1 . . . . . . . . 5053 1 232 . 1 1 30 30 LYS HD3 H 1 1.49 0.02 . 1 . . . . . . . . 5053 1 233 . 1 1 31 31 LYS N N 15 118.8 0.25 . 1 . . . . . . . . 5053 1 234 . 1 1 31 31 LYS H H 1 7.18 0.02 . 1 . . . . . . . . 5053 1 235 . 1 1 31 31 LYS CA C 13 59.4 0.20 . 1 . . . . . . . . 5053 1 236 . 1 1 31 31 LYS HA H 1 3.84 0.02 . 1 . . . . . . . . 5053 1 237 . 1 1 31 31 LYS CB C 13 32.8 0.20 . 1 . . . . . . . . 5053 1 238 . 1 1 31 31 LYS HB2 H 1 1.43 0.02 . 2 . . . . . . . . 5053 1 239 . 1 1 31 31 LYS HB3 H 1 0.97 0.02 . 2 . . . . . . . . 5053 1 240 . 1 1 31 31 LYS HG2 H 1 1.34 0.02 . 1 . . . . . . . . 5053 1 241 . 1 1 31 31 LYS HG3 H 1 1.34 0.02 . 1 . . . . . . . . 5053 1 242 . 1 1 32 32 VAL N N 15 120.2 0.25 . 1 . . . . . . . . 5053 1 243 . 1 1 32 32 VAL H H 1 8.54 0.02 . 1 . . . . . . . . 5053 1 244 . 1 1 32 32 VAL CA C 13 67.1 0.20 . 1 . . . . . . . . 5053 1 245 . 1 1 32 32 VAL HA H 1 3.56 0.02 . 1 . . . . . . . . 5053 1 246 . 1 1 32 32 VAL CB C 13 32.3 0.20 . 1 . . . . . . . . 5053 1 247 . 1 1 32 32 VAL HB H 1 2.07 0.02 . 1 . . . . . . . . 5053 1 248 . 1 1 32 32 VAL HG11 H 1 1.25 0.02 . 2 . . . . . . . . 5053 1 249 . 1 1 32 32 VAL HG12 H 1 1.25 0.02 . 2 . . . . . . . . 5053 1 250 . 1 1 32 32 VAL HG13 H 1 1.25 0.02 . 2 . . . . . . . . 5053 1 251 . 1 1 32 32 VAL HG21 H 1 1.09 0.02 . 2 . . . . . . . . 5053 1 252 . 1 1 32 32 VAL HG22 H 1 1.09 0.02 . 2 . . . . . . . . 5053 1 253 . 1 1 32 32 VAL HG23 H 1 1.09 0.02 . 2 . . . . . . . . 5053 1 254 . 1 1 33 33 SER N N 15 115.4 0.25 . 1 . . . . . . . . 5053 1 255 . 1 1 33 33 SER H H 1 8.76 0.02 . 1 . . . . . . . . 5053 1 256 . 1 1 33 33 SER CA C 13 61.0 0.20 . 1 . . . . . . . . 5053 1 257 . 1 1 33 33 SER HA H 1 4.17 0.02 . 1 . . . . . . . . 5053 1 258 . 1 1 33 33 SER CB C 13 62.7 0.20 . 1 . . . . . . . . 5053 1 259 . 1 1 33 33 SER HB2 H 1 3.68 0.02 . 2 . . . . . . . . 5053 1 260 . 1 1 33 33 SER HB3 H 1 3.30 0.02 . 2 . . . . . . . . 5053 1 261 . 1 1 34 34 ALA N N 15 121.1 0.25 . 1 . . . . . . . . 5053 1 262 . 1 1 34 34 ALA H H 1 6.88 0.02 . 1 . . . . . . . . 5053 1 263 . 1 1 34 34 ALA CA C 13 53.7 0.20 . 1 . . . . . . . . 5053 1 264 . 1 1 34 34 ALA HA H 1 4.20 0.02 . 1 . . . . . . . . 5053 1 265 . 1 1 34 34 ALA CB C 13 18.7 0.20 . 1 . . . . . . . . 5053 1 266 . 1 1 34 34 ALA HB1 H 1 1.41 0.02 . 1 . . . . . . . . 5053 1 267 . 1 1 34 34 ALA HB2 H 1 1.41 0.02 . 1 . . . . . . . . 5053 1 268 . 1 1 34 34 ALA HB3 H 1 1.41 0.02 . 1 . . . . . . . . 5053 1 269 . 1 1 35 35 LYS N N 15 115.9 0.25 . 1 . . . . . . . . 5053 1 270 . 1 1 35 35 LYS H H 1 7.52 0.02 . 1 . . . . . . . . 5053 1 271 . 1 1 35 35 LYS CA C 13 56.0 0.20 . 1 . . . . . . . . 5053 1 272 . 1 1 35 35 LYS HA H 1 4.24 0.02 . 1 . . . . . . . . 5053 1 273 . 1 1 35 35 LYS CB C 13 34.0 0.20 . 1 . . . . . . . . 5053 1 274 . 1 1 35 35 LYS HB2 H 1 1.72 0.02 . 1 . . . . . . . . 5053 1 275 . 1 1 35 35 LYS HB3 H 1 1.72 0.02 . 1 . . . . . . . . 5053 1 276 . 1 1 35 35 LYS HG2 H 1 1.32 0.02 . 1 . . . . . . . . 5053 1 277 . 1 1 35 35 LYS HG3 H 1 1.32 0.02 . 1 . . . . . . . . 5053 1 278 . 1 1 35 35 LYS HD2 H 1 1.55 0.02 . 1 . . . . . . . . 5053 1 279 . 1 1 35 35 LYS HD3 H 1 1.55 0.02 . 1 . . . . . . . . 5053 1 280 . 1 1 36 36 THR CA C 13 60.4 0.20 . 1 . . . . . . . . 5053 1 281 . 1 1 36 36 THR HA H 1 4.63 0.02 . 1 . . . . . . . . 5053 1 282 . 1 1 36 36 THR CB C 13 70.3 0.20 . 1 . . . . . . . . 5053 1 283 . 1 1 36 36 THR HG21 H 1 1.18 0.02 . 1 . . . . . . . . 5053 1 284 . 1 1 36 36 THR HG22 H 1 1.18 0.02 . 1 . . . . . . . . 5053 1 285 . 1 1 36 36 THR HG23 H 1 1.18 0.02 . 1 . . . . . . . . 5053 1 286 . 1 1 37 37 SER H H 1 8.46 0.02 . 1 . . . . . . . . 5053 1 287 . 1 1 37 37 SER CA C 13 58.7 0.20 . 1 . . . . . . . . 5053 1 288 . 1 1 37 37 SER HA H 1 4.49 0.02 . 1 . . . . . . . . 5053 1 289 . 1 1 37 37 SER CB C 13 63.7 0.20 . 1 . . . . . . . . 5053 1 290 . 1 1 37 37 SER HB2 H 1 4.04 0.02 . 2 . . . . . . . . 5053 1 291 . 1 1 37 37 SER HB3 H 1 3.93 0.02 . 2 . . . . . . . . 5053 1 292 . 1 1 38 38 ASN N N 15 120.6 0.25 . 1 . . . . . . . . 5053 1 293 . 1 1 38 38 ASN H H 1 7.90 0.02 . 1 . . . . . . . . 5053 1 294 . 1 1 38 38 ASN CA C 13 53.3 0.20 . 1 . . . . . . . . 5053 1 295 . 1 1 38 38 ASN HA H 1 4.22 0.02 . 1 . . . . . . . . 5053 1 296 . 1 1 38 38 ASN CB C 13 39.7 0.20 . 1 . . . . . . . . 5053 1 297 . 1 1 38 38 ASN HB2 H 1 2.95 0.02 . 2 . . . . . . . . 5053 1 298 . 1 1 38 38 ASN HB3 H 1 2.86 0.02 . 2 . . . . . . . . 5053 1 299 . 1 1 38 38 ASN ND2 N 15 114.1 0.25 . 1 . . . . . . . . 5053 1 300 . 1 1 38 38 ASN HD21 H 1 7.79 0.02 . 2 . . . . . . . . 5053 1 301 . 1 1 38 38 ASN HD22 H 1 7.17 0.02 . 2 . . . . . . . . 5053 1 302 . 1 1 39 39 GLU N N 15 127.4 0.25 . 1 . . . . . . . . 5053 1 303 . 1 1 39 39 GLU H H 1 9.01 0.02 . 1 . . . . . . . . 5053 1 304 . 1 1 39 39 GLU CA C 13 60.0 0.20 . 1 . . . . . . . . 5053 1 305 . 1 1 39 39 GLU HA H 1 4.08 0.02 . 1 . . . . . . . . 5053 1 306 . 1 1 39 39 GLU CB C 13 30.0 0.20 . 1 . . . . . . . . 5053 1 307 . 1 1 39 39 GLU HB2 H 1 2.12 0.02 . 1 . . . . . . . . 5053 1 308 . 1 1 39 39 GLU HB3 H 1 2.12 0.02 . 1 . . . . . . . . 5053 1 309 . 1 1 39 39 GLU HG2 H 1 2.44 0.02 . 1 . . . . . . . . 5053 1 310 . 1 1 39 39 GLU HG3 H 1 2.44 0.02 . 1 . . . . . . . . 5053 1 311 . 1 1 40 40 GLU N N 15 123.1 0.25 . 1 . . . . . . . . 5053 1 312 . 1 1 40 40 GLU H H 1 8.33 0.02 . 1 . . . . . . . . 5053 1 313 . 1 1 40 40 GLU CA C 13 59.7 0.20 . 1 . . . . . . . . 5053 1 314 . 1 1 40 40 GLU HA H 1 4.13 0.02 . 1 . . . . . . . . 5053 1 315 . 1 1 40 40 GLU CB C 13 29.4 0.20 . 1 . . . . . . . . 5053 1 316 . 1 1 40 40 GLU HB2 H 1 2.23 0.02 . 1 . . . . . . . . 5053 1 317 . 1 1 40 40 GLU HB3 H 1 2.23 0.02 . 1 . . . . . . . . 5053 1 318 . 1 1 40 40 GLU HG2 H 1 2.35 0.02 . 1 . . . . . . . . 5053 1 319 . 1 1 40 40 GLU HG3 H 1 2.35 0.02 . 1 . . . . . . . . 5053 1 320 . 1 1 41 41 ALA N N 15 123.1 0.25 . 1 . . . . . . . . 5053 1 321 . 1 1 41 41 ALA H H 1 7.99 0.02 . 1 . . . . . . . . 5053 1 322 . 1 1 41 41 ALA CA C 13 54.7 0.20 . 1 . . . . . . . . 5053 1 323 . 1 1 41 41 ALA HA H 1 3.35 0.02 . 1 . . . . . . . . 5053 1 324 . 1 1 41 41 ALA CB C 13 18.6 0.20 . 1 . . . . . . . . 5053 1 325 . 1 1 41 41 ALA HB1 H 1 1.26 0.02 . 1 . . . . . . . . 5053 1 326 . 1 1 41 41 ALA HB2 H 1 1.26 0.02 . 1 . . . . . . . . 5053 1 327 . 1 1 41 41 ALA HB3 H 1 1.26 0.02 . 1 . . . . . . . . 5053 1 328 . 1 1 42 42 ALA N N 15 118.8 0.25 . 1 . . . . . . . . 5053 1 329 . 1 1 42 42 ALA H H 1 8.45 0.02 . 1 . . . . . . . . 5053 1 330 . 1 1 42 42 ALA CA C 13 55.3 0.20 . 1 . . . . . . . . 5053 1 331 . 1 1 42 42 ALA HA H 1 3.81 0.02 . 1 . . . . . . . . 5053 1 332 . 1 1 42 42 ALA CB C 13 17.7 0.20 . 1 . . . . . . . . 5053 1 333 . 1 1 42 42 ALA HB1 H 1 1.29 0.02 . 1 . . . . . . . . 5053 1 334 . 1 1 42 42 ALA HB2 H 1 1.29 0.02 . 1 . . . . . . . . 5053 1 335 . 1 1 42 42 ALA HB3 H 1 1.29 0.02 . 1 . . . . . . . . 5053 1 336 . 1 1 43 43 GLY N N 15 107.5 0.25 . 1 . . . . . . . . 5053 1 337 . 1 1 43 43 GLY H H 1 8.45 0.02 . 1 . . . . . . . . 5053 1 338 . 1 1 43 43 GLY CA C 13 47.8 0.20 . 1 . . . . . . . . 5053 1 339 . 1 1 43 43 GLY HA2 H 1 4.22 0.02 . 2 . . . . . . . . 5053 1 340 . 1 1 43 43 GLY HA3 H 1 3.94 0.02 . 2 . . . . . . . . 5053 1 341 . 1 1 44 44 LYS N N 15 123.4 0.25 . 1 . . . . . . . . 5053 1 342 . 1 1 44 44 LYS H H 1 7.91 0.02 . 1 . . . . . . . . 5053 1 343 . 1 1 44 44 LYS CA C 13 58.5 0.20 . 1 . . . . . . . . 5053 1 344 . 1 1 44 44 LYS HA H 1 4.41 0.02 . 1 . . . . . . . . 5053 1 345 . 1 1 44 44 LYS CB C 13 32.5 0.20 . 1 . . . . . . . . 5053 1 346 . 1 1 44 44 LYS HB2 H 1 1.78 0.02 . 2 . . . . . . . . 5053 1 347 . 1 1 44 44 LYS HB3 H 1 1.68 0.02 . 2 . . . . . . . . 5053 1 348 . 1 1 44 44 LYS HG2 H 1 1.57 0.02 . 1 . . . . . . . . 5053 1 349 . 1 1 44 44 LYS HG3 H 1 1.57 0.02 . 1 . . . . . . . . 5053 1 350 . 1 1 45 45 ILE N N 15 121.5 0.25 . 1 . . . . . . . . 5053 1 351 . 1 1 45 45 ILE H H 1 8.98 0.02 . 1 . . . . . . . . 5053 1 352 . 1 1 45 45 ILE CA C 13 66.2 0.20 . 1 . . . . . . . . 5053 1 353 . 1 1 45 45 ILE HA H 1 3.64 0.02 . 1 . . . . . . . . 5053 1 354 . 1 1 45 45 ILE CB C 13 38.2 0.20 . 1 . . . . . . . . 5053 1 355 . 1 1 45 45 ILE HB H 1 1.69 0.02 . 1 . . . . . . . . 5053 1 356 . 1 1 45 45 ILE HG21 H 1 0.59 0.02 . 1 . . . . . . . . 5053 1 357 . 1 1 45 45 ILE HG22 H 1 0.59 0.02 . 1 . . . . . . . . 5053 1 358 . 1 1 45 45 ILE HG23 H 1 0.59 0.02 . 1 . . . . . . . . 5053 1 359 . 1 1 45 45 ILE HG12 H 1 1.46 0.02 . 2 . . . . . . . . 5053 1 360 . 1 1 45 45 ILE HD11 H 1 0.82 0.02 . 1 . . . . . . . . 5053 1 361 . 1 1 45 45 ILE HD12 H 1 0.82 0.02 . 1 . . . . . . . . 5053 1 362 . 1 1 45 45 ILE HD13 H 1 0.82 0.02 . 1 . . . . . . . . 5053 1 363 . 1 1 46 46 THR N N 15 116.2 0.25 . 1 . . . . . . . . 5053 1 364 . 1 1 46 46 THR H H 1 7.92 0.02 . 1 . . . . . . . . 5053 1 365 . 1 1 46 46 THR CA C 13 68.2 0.20 . 1 . . . . . . . . 5053 1 366 . 1 1 46 46 THR HA H 1 3.66 0.02 . 1 . . . . . . . . 5053 1 367 . 1 1 46 46 THR CB C 13 68.8 0.20 . 1 . . . . . . . . 5053 1 368 . 1 1 46 46 THR HB H 1 4.37 0.02 . 1 . . . . . . . . 5053 1 369 . 1 1 46 46 THR HG21 H 1 1.26 0.02 . 1 . . . . . . . . 5053 1 370 . 1 1 46 46 THR HG22 H 1 1.26 0.02 . 1 . . . . . . . . 5053 1 371 . 1 1 46 46 THR HG23 H 1 1.26 0.02 . 1 . . . . . . . . 5053 1 372 . 1 1 47 47 GLY N N 15 106.5 0.25 . 1 . . . . . . . . 5053 1 373 . 1 1 47 47 GLY H H 1 7.79 0.02 . 1 . . . . . . . . 5053 1 374 . 1 1 47 47 GLY CA C 13 47.6 0.20 . 1 . . . . . . . . 5053 1 375 . 1 1 47 47 GLY HA2 H 1 3.90 0.02 . 2 . . . . . . . . 5053 1 376 . 1 1 47 47 GLY HA3 H 1 3.68 0.02 . 2 . . . . . . . . 5053 1 377 . 1 1 48 48 MET N N 15 119.8 0.25 . 1 . . . . . . . . 5053 1 378 . 1 1 48 48 MET H H 1 7.83 0.02 . 1 . . . . . . . . 5053 1 379 . 1 1 48 48 MET CA C 13 59.3 0.20 . 1 . . . . . . . . 5053 1 380 . 1 1 48 48 MET HA H 1 4.15 0.02 . 1 . . . . . . . . 5053 1 381 . 1 1 48 48 MET CB C 13 33.9 0.20 . 1 . . . . . . . . 5053 1 382 . 1 1 48 48 MET HB2 H 1 2.21 0.02 . 2 . . . . . . . . 5053 1 383 . 1 1 48 48 MET HB3 H 1 2.15 0.02 . 2 . . . . . . . . 5053 1 384 . 1 1 48 48 MET HG2 H 1 2.79 0.02 . 2 . . . . . . . . 5053 1 385 . 1 1 48 48 MET HG3 H 1 2.58 0.02 . 2 . . . . . . . . 5053 1 386 . 1 1 49 49 ILE N N 15 121.6 0.25 . 1 . . . . . . . . 5053 1 387 . 1 1 49 49 ILE H H 1 7.87 0.02 . 1 . . . . . . . . 5053 1 388 . 1 1 49 49 ILE CA C 13 65.3 0.20 . 1 . . . . . . . . 5053 1 389 . 1 1 49 49 ILE HA H 1 3.69 0.02 . 1 . . . . . . . . 5053 1 390 . 1 1 49 49 ILE CB C 13 38.2 0.20 . 1 . . . . . . . . 5053 1 391 . 1 1 49 49 ILE HB H 1 1.90 0.02 . 1 . . . . . . . . 5053 1 392 . 1 1 49 49 ILE HG21 H 1 0.86 0.02 . 1 . . . . . . . . 5053 1 393 . 1 1 49 49 ILE HG22 H 1 0.86 0.02 . 1 . . . . . . . . 5053 1 394 . 1 1 49 49 ILE HG23 H 1 0.86 0.02 . 1 . . . . . . . . 5053 1 395 . 1 1 49 49 ILE HD11 H 1 0.72 0.02 . 1 . . . . . . . . 5053 1 396 . 1 1 49 49 ILE HD12 H 1 0.72 0.02 . 1 . . . . . . . . 5053 1 397 . 1 1 49 49 ILE HD13 H 1 0.72 0.02 . 1 . . . . . . . . 5053 1 398 . 1 1 50 50 LEU N N 15 117.0 0.25 . 1 . . . . . . . . 5053 1 399 . 1 1 50 50 LEU H H 1 8.07 0.02 . 1 . . . . . . . . 5053 1 400 . 1 1 50 50 LEU CA C 13 56.2 0.20 . 1 . . . . . . . . 5053 1 401 . 1 1 50 50 LEU HA H 1 4.01 0.02 . 1 . . . . . . . . 5053 1 402 . 1 1 50 50 LEU CB C 13 42.3 0.20 . 1 . . . . . . . . 5053 1 403 . 1 1 50 50 LEU HB2 H 1 1.75 0.02 . 2 . . . . . . . . 5053 1 404 . 1 1 50 50 LEU HB3 H 1 1.66 0.02 . 2 . . . . . . . . 5053 1 405 . 1 1 50 50 LEU HD11 H 1 0.86 0.02 . 2 . . . . . . . . 5053 1 406 . 1 1 50 50 LEU HD12 H 1 0.86 0.02 . 2 . . . . . . . . 5053 1 407 . 1 1 50 50 LEU HD13 H 1 0.86 0.02 . 2 . . . . . . . . 5053 1 408 . 1 1 50 50 LEU HD21 H 1 0.79 0.02 . 2 . . . . . . . . 5053 1 409 . 1 1 50 50 LEU HD22 H 1 0.79 0.02 . 2 . . . . . . . . 5053 1 410 . 1 1 50 50 LEU HD23 H 1 0.79 0.02 . 2 . . . . . . . . 5053 1 411 . 1 1 51 51 ASP N N 15 117.9 0.25 . 1 . . . . . . . . 5053 1 412 . 1 1 51 51 ASP H H 1 7.15 0.02 . 1 . . . . . . . . 5053 1 413 . 1 1 51 51 ASP CA C 13 55.3 0.20 . 1 . . . . . . . . 5053 1 414 . 1 1 51 51 ASP HA H 1 4.69 0.02 . 1 . . . . . . . . 5053 1 415 . 1 1 51 51 ASP CB C 13 41.3 0.20 . 1 . . . . . . . . 5053 1 416 . 1 1 51 51 ASP HB2 H 1 2.71 0.02 . 1 . . . . . . . . 5053 1 417 . 1 1 51 51 ASP HB3 H 1 2.71 0.02 . 1 . . . . . . . . 5053 1 418 . 1 1 52 52 LEU N N 15 122.6 0.25 . 1 . . . . . . . . 5053 1 419 . 1 1 52 52 LEU H H 1 7.61 0.02 . 1 . . . . . . . . 5053 1 420 . 1 1 52 52 LEU CA C 13 54.1 0.20 . 1 . . . . . . . . 5053 1 421 . 1 1 52 52 LEU HA H 1 4.40 0.02 . 1 . . . . . . . . 5053 1 422 . 1 1 52 52 LEU CB C 13 40.6 0.20 . 1 . . . . . . . . 5053 1 423 . 1 1 52 52 LEU HB2 H 1 1.95 0.02 . 2 . . . . . . . . 5053 1 424 . 1 1 52 52 LEU HB3 H 1 1.86 0.02 . 2 . . . . . . . . 5053 1 425 . 1 1 52 52 LEU HG H 1 1.26 0.02 . 1 . . . . . . . . 5053 1 426 . 1 1 52 52 LEU HD11 H 1 0.92 0.02 . 2 . . . . . . . . 5053 1 427 . 1 1 52 52 LEU HD12 H 1 0.92 0.02 . 2 . . . . . . . . 5053 1 428 . 1 1 52 52 LEU HD13 H 1 0.92 0.02 . 2 . . . . . . . . 5053 1 429 . 1 1 52 52 LEU HD21 H 1 0.84 0.02 . 2 . . . . . . . . 5053 1 430 . 1 1 52 52 LEU HD22 H 1 0.84 0.02 . 2 . . . . . . . . 5053 1 431 . 1 1 52 52 LEU HD23 H 1 0.84 0.02 . 2 . . . . . . . . 5053 1 432 . 1 1 54 54 PRO CA C 13 66.2 0.20 . 1 . . . . . . . . 5053 1 433 . 1 1 54 54 PRO HA H 1 4.00 0.02 . 1 . . . . . . . . 5053 1 434 . 1 1 54 54 PRO CB C 13 32.0 0.20 . 1 . . . . . . . . 5053 1 435 . 1 1 55 55 GLN N N 15 114.2 0.25 . 1 . . . . . . . . 5053 1 436 . 1 1 55 55 GLN H H 1 8.96 0.02 . 1 . . . . . . . . 5053 1 437 . 1 1 55 55 GLN CA C 13 58.6 0.20 . 1 . . . . . . . . 5053 1 438 . 1 1 55 55 GLN HA H 1 4.24 0.02 . 1 . . . . . . . . 5053 1 439 . 1 1 55 55 GLN CB C 13 27.7 0.20 . 1 . . . . . . . . 5053 1 440 . 1 1 55 55 GLN HB2 H 1 2.14 0.02 . 1 . . . . . . . . 5053 1 441 . 1 1 55 55 GLN HB3 H 1 2.14 0.02 . 1 . . . . . . . . 5053 1 442 . 1 1 55 55 GLN HG2 H 1 2.58 0.02 . 2 . . . . . . . . 5053 1 443 . 1 1 55 55 GLN HG3 H 1 2.44 0.02 . 2 . . . . . . . . 5053 1 444 . 1 1 55 55 GLN HE21 H 1 6.97 0.02 . 2 . . . . . . . . 5053 1 445 . 1 1 55 55 GLN HE22 H 1 7.72 0.02 . 2 . . . . . . . . 5053 1 446 . 1 1 56 56 GLU N N 15 118.2 0.25 . 1 . . . . . . . . 5053 1 447 . 1 1 56 56 GLU H H 1 8.10 0.02 . 1 . . . . . . . . 5053 1 448 . 1 1 56 56 GLU CA C 13 56.9 0.20 . 1 . . . . . . . . 5053 1 449 . 1 1 56 56 GLU HA H 1 4.32 0.02 . 1 . . . . . . . . 5053 1 450 . 1 1 56 56 GLU CB C 13 31.0 0.20 . 1 . . . . . . . . 5053 1 451 . 1 1 56 56 GLU HB2 H 1 2.15 0.02 . 2 . . . . . . . . 5053 1 452 . 1 1 56 56 GLU HB3 H 1 1.99 0.02 . 2 . . . . . . . . 5053 1 453 . 1 1 56 56 GLU HG2 H 1 2.32 0.02 . 1 . . . . . . . . 5053 1 454 . 1 1 56 56 GLU HG3 H 1 2.32 0.02 . 1 . . . . . . . . 5053 1 455 . 1 1 57 57 VAL N N 15 119.8 0.25 . 1 . . . . . . . . 5053 1 456 . 1 1 57 57 VAL H H 1 7.51 0.02 . 1 . . . . . . . . 5053 1 457 . 1 1 57 57 VAL CA C 13 65.1 0.20 . 1 . . . . . . . . 5053 1 458 . 1 1 57 57 VAL HA H 1 3.67 0.02 . 1 . . . . . . . . 5053 1 459 . 1 1 57 57 VAL CB C 13 32.5 0.20 . 1 . . . . . . . . 5053 1 460 . 1 1 57 57 VAL HB H 1 1.85 0.02 . 1 . . . . . . . . 5053 1 461 . 1 1 57 57 VAL HG11 H 1 0.90 0.02 . 2 . . . . . . . . 5053 1 462 . 1 1 57 57 VAL HG12 H 1 0.90 0.02 . 2 . . . . . . . . 5053 1 463 . 1 1 57 57 VAL HG13 H 1 0.90 0.02 . 2 . . . . . . . . 5053 1 464 . 1 1 57 57 VAL HG21 H 1 0.78 0.02 . 2 . . . . . . . . 5053 1 465 . 1 1 57 57 VAL HG22 H 1 0.78 0.02 . 2 . . . . . . . . 5053 1 466 . 1 1 57 57 VAL HG23 H 1 0.78 0.02 . 2 . . . . . . . . 5053 1 467 . 1 1 58 58 PHE N N 15 118.5 0.25 . 1 . . . . . . . . 5053 1 468 . 1 1 58 58 PHE H H 1 7.85 0.02 . 1 . . . . . . . . 5053 1 469 . 1 1 58 58 PHE CA C 13 59.1 0.20 . 1 . . . . . . . . 5053 1 470 . 1 1 58 58 PHE HA H 1 4.30 0.02 . 1 . . . . . . . . 5053 1 471 . 1 1 58 58 PHE CB C 13 36.9 0.20 . 1 . . . . . . . . 5053 1 472 . 1 1 58 58 PHE HB2 H 1 3.21 0.02 . 2 . . . . . . . . 5053 1 473 . 1 1 58 58 PHE HB3 H 1 3.08 0.02 . 2 . . . . . . . . 5053 1 474 . 1 1 58 58 PHE HD1 H 1 7.30 0.02 . 3 . . . . . . . . 5053 1 475 . 1 1 59 59 PRO CA C 13 66.1 0.20 . 1 . . . . . . . . 5053 1 476 . 1 1 59 59 PRO CB C 13 32.0 0.20 . 1 . . . . . . . . 5053 1 477 . 1 1 60 60 LEU N N 15 115.4 0.25 . 1 . . . . . . . . 5053 1 478 . 1 1 60 60 LEU H H 1 7.68 0.02 . 1 . . . . . . . . 5053 1 479 . 1 1 60 60 LEU CA C 13 57.4 0.20 . 1 . . . . . . . . 5053 1 480 . 1 1 60 60 LEU HA H 1 4.20 0.02 . 1 . . . . . . . . 5053 1 481 . 1 1 60 60 LEU CB C 13 41.2 0.20 . 1 . . . . . . . . 5053 1 482 . 1 1 60 60 LEU HB2 H 1 2.14 0.02 . 2 . . . . . . . . 5053 1 483 . 1 1 60 60 LEU HB3 H 1 2.09 0.02 . 2 . . . . . . . . 5053 1 484 . 1 1 60 60 LEU HG H 1 1.63 0.02 . 1 . . . . . . . . 5053 1 485 . 1 1 60 60 LEU HD11 H 1 0.74 0.02 . 2 . . . . . . . . 5053 1 486 . 1 1 60 60 LEU HD12 H 1 0.74 0.02 . 2 . . . . . . . . 5053 1 487 . 1 1 60 60 LEU HD13 H 1 0.74 0.02 . 2 . . . . . . . . 5053 1 488 . 1 1 60 60 LEU HD21 H 1 0.60 0.02 . 2 . . . . . . . . 5053 1 489 . 1 1 60 60 LEU HD22 H 1 0.60 0.02 . 2 . . . . . . . . 5053 1 490 . 1 1 60 60 LEU HD23 H 1 0.60 0.02 . 2 . . . . . . . . 5053 1 491 . 1 1 61 61 LEU N N 15 114.9 0.25 . 1 . . . . . . . . 5053 1 492 . 1 1 61 61 LEU H H 1 7.53 0.02 . 1 . . . . . . . . 5053 1 493 . 1 1 61 61 LEU HA H 1 3.98 0.02 . 1 . . . . . . . . 5053 1 494 . 1 1 61 61 LEU CB C 13 41.0 0.20 . 1 . . . . . . . . 5053 1 495 . 1 1 61 61 LEU HB2 H 1 1.90 0.02 . 2 . . . . . . . . 5053 1 496 . 1 1 61 61 LEU HB3 H 1 1.61 0.02 . 2 . . . . . . . . 5053 1 497 . 1 1 61 61 LEU HG H 1 1.77 0.02 . 1 . . . . . . . . 5053 1 498 . 1 1 61 61 LEU HD11 H 1 0.91 0.02 . 2 . . . . . . . . 5053 1 499 . 1 1 61 61 LEU HD12 H 1 0.91 0.02 . 2 . . . . . . . . 5053 1 500 . 1 1 61 61 LEU HD13 H 1 0.91 0.02 . 2 . . . . . . . . 5053 1 501 . 1 1 61 61 LEU HD21 H 1 0.71 0.02 . 2 . . . . . . . . 5053 1 502 . 1 1 61 61 LEU HD22 H 1 0.71 0.02 . 2 . . . . . . . . 5053 1 503 . 1 1 61 61 LEU HD23 H 1 0.71 0.02 . 2 . . . . . . . . 5053 1 504 . 1 1 62 62 GLU N N 15 115.5 0.25 . 1 . . . . . . . . 5053 1 505 . 1 1 62 62 GLU H H 1 7.16 0.02 . 1 . . . . . . . . 5053 1 506 . 1 1 62 62 GLU CA C 13 56.4 0.20 . 1 . . . . . . . . 5053 1 507 . 1 1 62 62 GLU HA H 1 4.45 0.02 . 1 . . . . . . . . 5053 1 508 . 1 1 62 62 GLU CB C 13 31.8 0.20 . 1 . . . . . . . . 5053 1 509 . 1 1 62 62 GLU HB2 H 1 1.89 0.02 . 1 . . . . . . . . 5053 1 510 . 1 1 62 62 GLU HB3 H 1 1.89 0.02 . 1 . . . . . . . . 5053 1 511 . 1 1 62 62 GLU HG2 H 1 2.24 0.02 . 2 . . . . . . . . 5053 1 512 . 1 1 62 62 GLU HG3 H 1 2.17 0.02 . 2 . . . . . . . . 5053 1 513 . 1 1 63 63 SER N N 15 113.6 0.25 . 1 . . . . . . . . 5053 1 514 . 1 1 63 63 SER H H 1 7.33 0.02 . 1 . . . . . . . . 5053 1 515 . 1 1 63 63 SER CA C 13 55.8 0.20 . 1 . . . . . . . . 5053 1 516 . 1 1 63 63 SER HA H 1 4.90 0.02 . 1 . . . . . . . . 5053 1 517 . 1 1 63 63 SER CB C 13 63.6 0.20 . 1 . . . . . . . . 5053 1 518 . 1 1 63 63 SER HB2 H 1 3.96 0.02 . 2 . . . . . . . . 5053 1 519 . 1 1 63 63 SER HB3 H 1 3.87 0.02 . 2 . . . . . . . . 5053 1 520 . 1 1 64 64 ASP N N 15 131.5 0.25 . 1 . . . . . . . . 5053 1 521 . 1 1 64 64 ASP H H 1 9.08 0.02 . 1 . . . . . . . . 5053 1 522 . 1 1 64 64 ASP CA C 13 58.0 0.20 . 1 . . . . . . . . 5053 1 523 . 1 1 64 64 ASP HA H 1 4.65 0.02 . 1 . . . . . . . . 5053 1 524 . 1 1 64 64 ASP CB C 13 40.6 0.20 . 1 . . . . . . . . 5053 1 525 . 1 1 64 64 ASP HB2 H 1 2.80 0.02 . 2 . . . . . . . . 5053 1 526 . 1 1 64 64 ASP HB3 H 1 2.68 0.02 . 2 . . . . . . . . 5053 1 527 . 1 1 65 65 GLU N N 15 120.5 0.25 . 1 . . . . . . . . 5053 1 528 . 1 1 65 65 GLU H H 1 8.65 0.02 . 1 . . . . . . . . 5053 1 529 . 1 1 65 65 GLU CA C 13 60.0 0.20 . 1 . . . . . . . . 5053 1 530 . 1 1 65 65 GLU HA H 1 4.14 0.02 . 1 . . . . . . . . 5053 1 531 . 1 1 65 65 GLU CB C 13 29.7 0.20 . 1 . . . . . . . . 5053 1 532 . 1 1 65 65 GLU HB2 H 1 2.05 0.02 . 2 . . . . . . . . 5053 1 533 . 1 1 65 65 GLU HB3 H 1 1.95 0.02 . 2 . . . . . . . . 5053 1 534 . 1 1 65 65 GLU HG2 H 1 2.32 0.02 . 1 . . . . . . . . 5053 1 535 . 1 1 65 65 GLU HG3 H 1 2.32 0.02 . 1 . . . . . . . . 5053 1 536 . 1 1 66 66 LEU N N 15 120.6 0.25 . 1 . . . . . . . . 5053 1 537 . 1 1 66 66 LEU H H 1 7.90 0.02 . 1 . . . . . . . . 5053 1 538 . 1 1 66 66 LEU CA C 13 57.6 0.20 . 1 . . . . . . . . 5053 1 539 . 1 1 66 66 LEU HA H 1 4.30 0.02 . 1 . . . . . . . . 5053 1 540 . 1 1 66 66 LEU CB C 13 42.4 0.20 . 1 . . . . . . . . 5053 1 541 . 1 1 66 66 LEU HB2 H 1 1.85 0.02 . 2 . . . . . . . . 5053 1 542 . 1 1 66 66 LEU HB3 H 1 1.80 0.02 . 2 . . . . . . . . 5053 1 543 . 1 1 66 66 LEU HG H 1 1.62 0.02 . 1 . . . . . . . . 5053 1 544 . 1 1 66 66 LEU HD11 H 1 1.05 0.02 . 2 . . . . . . . . 5053 1 545 . 1 1 66 66 LEU HD12 H 1 1.05 0.02 . 2 . . . . . . . . 5053 1 546 . 1 1 66 66 LEU HD13 H 1 1.05 0.02 . 2 . . . . . . . . 5053 1 547 . 1 1 66 66 LEU HD21 H 1 0.94 0.02 . 2 . . . . . . . . 5053 1 548 . 1 1 66 66 LEU HD22 H 1 0.94 0.02 . 2 . . . . . . . . 5053 1 549 . 1 1 66 66 LEU HD23 H 1 0.94 0.02 . 2 . . . . . . . . 5053 1 550 . 1 1 67 67 PHE N N 15 121.3 0.25 . 1 . . . . . . . . 5053 1 551 . 1 1 67 67 PHE H H 1 8.71 0.02 . 1 . . . . . . . . 5053 1 552 . 1 1 67 67 PHE CA C 13 63.6 0.20 . 1 . . . . . . . . 5053 1 553 . 1 1 67 67 PHE HA H 1 4.12 0.02 . 1 . . . . . . . . 5053 1 554 . 1 1 67 67 PHE CB C 13 38.2 0.20 . 1 . . . . . . . . 5053 1 555 . 1 1 67 67 PHE HB2 H 1 3.95 0.02 . 2 . . . . . . . . 5053 1 556 . 1 1 67 67 PHE HB3 H 1 3.30 0.02 . 2 . . . . . . . . 5053 1 557 . 1 1 67 67 PHE HD1 H 1 7.20 0.02 . 3 . . . . . . . . 5053 1 558 . 1 1 67 67 PHE HZ H 1 6.95 0.02 . 1 . . . . . . . . 5053 1 559 . 1 1 68 68 GLU N N 15 119.8 0.25 . 1 . . . . . . . . 5053 1 560 . 1 1 68 68 GLU H H 1 8.94 0.02 . 1 . . . . . . . . 5053 1 561 . 1 1 68 68 GLU CA C 13 60.0 0.20 . 1 . . . . . . . . 5053 1 562 . 1 1 68 68 GLU HA H 1 3.76 0.02 . 1 . . . . . . . . 5053 1 563 . 1 1 68 68 GLU CB C 13 29.2 0.20 . 1 . . . . . . . . 5053 1 564 . 1 1 68 68 GLU HB2 H 1 2.25 0.02 . 2 . . . . . . . . 5053 1 565 . 1 1 68 68 GLU HB3 H 1 2.16 0.02 . 2 . . . . . . . . 5053 1 566 . 1 1 68 68 GLU HG2 H 1 2.53 0.02 . 2 . . . . . . . . 5053 1 567 . 1 1 68 68 GLU HG3 H 1 2.44 0.02 . 2 . . . . . . . . 5053 1 568 . 1 1 69 69 GLN N N 15 118.3 0.25 . 1 . . . . . . . . 5053 1 569 . 1 1 69 69 GLN H H 1 7.70 0.02 . 1 . . . . . . . . 5053 1 570 . 1 1 69 69 GLN CA C 13 59.4 0.20 . 1 . . . . . . . . 5053 1 571 . 1 1 69 69 GLN HA H 1 4.05 0.02 . 1 . . . . . . . . 5053 1 572 . 1 1 69 69 GLN CB C 13 28.7 0.20 . 1 . . . . . . . . 5053 1 573 . 1 1 69 69 GLN HB2 H 1 2.25 0.02 . 2 . . . . . . . . 5053 1 574 . 1 1 69 69 GLN HB3 H 1 2.12 0.02 . 2 . . . . . . . . 5053 1 575 . 1 1 69 69 GLN HG2 H 1 2.44 0.02 . 1 . . . . . . . . 5053 1 576 . 1 1 69 69 GLN HG3 H 1 2.44 0.02 . 1 . . . . . . . . 5053 1 577 . 1 1 70 70 HIS N N 15 117.0 0.25 . 1 . . . . . . . . 5053 1 578 . 1 1 70 70 HIS H H 1 7.81 0.02 . 1 . . . . . . . . 5053 1 579 . 1 1 70 70 HIS CA C 13 59.9 0.20 . 1 . . . . . . . . 5053 1 580 . 1 1 70 70 HIS HA H 1 4.26 0.02 . 1 . . . . . . . . 5053 1 581 . 1 1 70 70 HIS CB C 13 29.1 0.20 . 1 . . . . . . . . 5053 1 582 . 1 1 70 70 HIS HB2 H 1 3.01 0.02 . 1 . . . . . . . . 5053 1 583 . 1 1 70 70 HIS HB3 H 1 3.01 0.02 . 1 . . . . . . . . 5053 1 584 . 1 1 70 70 HIS HD2 H 1 7.23 0.02 . 1 . . . . . . . . 5053 1 585 . 1 1 70 70 HIS HE1 H 1 8.41 0.02 . 1 . . . . . . . . 5053 1 586 . 1 1 71 71 TYR N N 15 123.1 0.25 . 1 . . . . . . . . 5053 1 587 . 1 1 71 71 TYR H H 1 9.40 0.02 . 1 . . . . . . . . 5053 1 588 . 1 1 71 71 TYR CA C 13 63.0 0.20 . 1 . . . . . . . . 5053 1 589 . 1 1 71 71 TYR HA H 1 3.63 0.02 . 1 . . . . . . . . 5053 1 590 . 1 1 71 71 TYR CB C 13 38.0 0.20 . 1 . . . . . . . . 5053 1 591 . 1 1 71 71 TYR HB2 H 1 2.66 0.02 . 2 . . . . . . . . 5053 1 592 . 1 1 71 71 TYR HB3 H 1 2.07 0.02 . 2 . . . . . . . . 5053 1 593 . 1 1 71 71 TYR HD1 H 1 6.84 0.02 . 3 . . . . . . . . 5053 1 594 . 1 1 71 71 TYR HE1 H 1 6.77 0.02 . 3 . . . . . . . . 5053 1 595 . 1 1 72 72 LYS N N 15 121.3 0.25 . 1 . . . . . . . . 5053 1 596 . 1 1 72 72 LYS H H 1 8.41 0.02 . 1 . . . . . . . . 5053 1 597 . 1 1 72 72 LYS CA C 13 60.4 0.20 . 1 . . . . . . . . 5053 1 598 . 1 1 72 72 LYS HA H 1 3.74 0.02 . 1 . . . . . . . . 5053 1 599 . 1 1 72 72 LYS CB C 13 32.5 0.20 . 1 . . . . . . . . 5053 1 600 . 1 1 72 72 LYS HB2 H 1 1.99 0.02 . 2 . . . . . . . . 5053 1 601 . 1 1 72 72 LYS HB3 H 1 1.92 0.02 . 2 . . . . . . . . 5053 1 602 . 1 1 72 72 LYS HG2 H 1 1.73 0.02 . 1 . . . . . . . . 5053 1 603 . 1 1 72 72 LYS HG3 H 1 1.73 0.02 . 1 . . . . . . . . 5053 1 604 . 1 1 72 72 LYS HD2 H 1 1.47 0.02 . 1 . . . . . . . . 5053 1 605 . 1 1 72 72 LYS HD3 H 1 1.47 0.02 . 1 . . . . . . . . 5053 1 606 . 1 1 73 73 GLU N N 15 118.7 0.25 . 1 . . . . . . . . 5053 1 607 . 1 1 73 73 GLU H H 1 7.28 0.02 . 1 . . . . . . . . 5053 1 608 . 1 1 73 73 GLU CA C 13 59.3 0.20 . 1 . . . . . . . . 5053 1 609 . 1 1 73 73 GLU HA H 1 4.05 0.02 . 1 . . . . . . . . 5053 1 610 . 1 1 73 73 GLU CB C 13 30.0 0.20 . 1 . . . . . . . . 5053 1 611 . 1 1 73 73 GLU HB2 H 1 2.03 0.02 . 1 . . . . . . . . 5053 1 612 . 1 1 73 73 GLU HB3 H 1 2.03 0.02 . 1 . . . . . . . . 5053 1 613 . 1 1 73 73 GLU HG2 H 1 2.39 0.02 . 2 . . . . . . . . 5053 1 614 . 1 1 73 73 GLU HG3 H 1 2.23 0.02 . 2 . . . . . . . . 5053 1 615 . 1 1 74 74 ALA N N 15 123.4 0.25 . 1 . . . . . . . . 5053 1 616 . 1 1 74 74 ALA H H 1 8.24 0.02 . 1 . . . . . . . . 5053 1 617 . 1 1 74 74 ALA CA C 13 54.8 0.20 . 1 . . . . . . . . 5053 1 618 . 1 1 74 74 ALA HA H 1 4.28 0.02 . 1 . . . . . . . . 5053 1 619 . 1 1 74 74 ALA CB C 13 19.7 0.20 . 1 . . . . . . . . 5053 1 620 . 1 1 74 74 ALA HB1 H 1 1.42 0.02 . 1 . . . . . . . . 5053 1 621 . 1 1 74 74 ALA HB2 H 1 1.42 0.02 . 1 . . . . . . . . 5053 1 622 . 1 1 74 74 ALA HB3 H 1 1.42 0.02 . 1 . . . . . . . . 5053 1 623 . 1 1 75 75 SER N N 15 113.8 0.25 . 1 . . . . . . . . 5053 1 624 . 1 1 75 75 SER H H 1 8.72 0.02 . 1 . . . . . . . . 5053 1 625 . 1 1 75 75 SER CA C 13 62.5 0.20 . 1 . . . . . . . . 5053 1 626 . 1 1 75 75 SER HA H 1 3.93 0.02 . 1 . . . . . . . . 5053 1 627 . 1 1 75 75 SER CB C 13 62.6 0.20 . 1 . . . . . . . . 5053 1 628 . 1 1 75 75 SER HB2 H 1 3.52 0.02 . 2 . . . . . . . . 5053 1 629 . 1 1 75 75 SER HB3 H 1 3.48 0.02 . 2 . . . . . . . . 5053 1 630 . 1 1 76 76 ALA N N 15 123.8 0.25 . 1 . . . . . . . . 5053 1 631 . 1 1 76 76 ALA H H 1 7.57 0.02 . 1 . . . . . . . . 5053 1 632 . 1 1 76 76 ALA CA C 13 55.2 0.20 . 1 . . . . . . . . 5053 1 633 . 1 1 76 76 ALA HA H 1 4.21 0.02 . 1 . . . . . . . . 5053 1 634 . 1 1 76 76 ALA CB C 13 18.1 0.20 . 1 . . . . . . . . 5053 1 635 . 1 1 76 76 ALA HB1 H 1 1.50 0.02 . 1 . . . . . . . . 5053 1 636 . 1 1 76 76 ALA HB2 H 1 1.50 0.02 . 1 . . . . . . . . 5053 1 637 . 1 1 76 76 ALA HB3 H 1 1.50 0.02 . 1 . . . . . . . . 5053 1 638 . 1 1 77 77 ALA N N 15 122.4 0.25 . 1 . . . . . . . . 5053 1 639 . 1 1 77 77 ALA H H 1 7.75 0.02 . 1 . . . . . . . . 5053 1 640 . 1 1 77 77 ALA CA C 13 55.1 0.20 . 1 . . . . . . . . 5053 1 641 . 1 1 77 77 ALA HA H 1 4.17 0.02 . 1 . . . . . . . . 5053 1 642 . 1 1 77 77 ALA CB C 13 18.2 0.20 . 1 . . . . . . . . 5053 1 643 . 1 1 77 77 ALA HB1 H 1 1.52 0.02 . 1 . . . . . . . . 5053 1 644 . 1 1 77 77 ALA HB2 H 1 1.52 0.02 . 1 . . . . . . . . 5053 1 645 . 1 1 77 77 ALA HB3 H 1 1.52 0.02 . 1 . . . . . . . . 5053 1 646 . 1 1 78 78 TYR N N 15 121.5 0.25 . 1 . . . . . . . . 5053 1 647 . 1 1 78 78 TYR H H 1 8.67 0.02 . 1 . . . . . . . . 5053 1 648 . 1 1 78 78 TYR CA C 13 61.5 0.20 . 1 . . . . . . . . 5053 1 649 . 1 1 78 78 TYR HA H 1 4.18 0.02 . 1 . . . . . . . . 5053 1 650 . 1 1 78 78 TYR CB C 13 38.6 0.20 . 1 . . . . . . . . 5053 1 651 . 1 1 78 78 TYR HB2 H 1 3.15 0.02 . 2 . . . . . . . . 5053 1 652 . 1 1 78 78 TYR HB3 H 1 3.05 0.02 . 2 . . . . . . . . 5053 1 653 . 1 1 78 78 TYR HD1 H 1 7.09 0.02 . 3 . . . . . . . . 5053 1 654 . 1 1 78 78 TYR HE1 H 1 6.78 0.02 . 3 . . . . . . . . 5053 1 655 . 1 1 79 79 GLU N N 15 119.0 0.25 . 1 . . . . . . . . 5053 1 656 . 1 1 79 79 GLU H H 1 8.38 0.02 . 1 . . . . . . . . 5053 1 657 . 1 1 79 79 GLU CA C 13 59.4 0.20 . 1 . . . . . . . . 5053 1 658 . 1 1 79 79 GLU HA H 1 3.76 0.02 . 1 . . . . . . . . 5053 1 659 . 1 1 79 79 GLU CB C 13 29.4 0.20 . 1 . . . . . . . . 5053 1 660 . 1 1 79 79 GLU HB2 H 1 2.08 0.02 . 1 . . . . . . . . 5053 1 661 . 1 1 79 79 GLU HB3 H 1 2.08 0.02 . 1 . . . . . . . . 5053 1 662 . 1 1 79 79 GLU HG2 H 1 2.45 0.02 . 1 . . . . . . . . 5053 1 663 . 1 1 79 79 GLU HG3 H 1 2.45 0.02 . 1 . . . . . . . . 5053 1 664 . 1 1 80 80 SER N N 15 115.0 0.25 . 1 . . . . . . . . 5053 1 665 . 1 1 80 80 SER H H 1 7.91 0.02 . 1 . . . . . . . . 5053 1 666 . 1 1 80 80 SER CA C 13 61.7 0.20 . 1 . . . . . . . . 5053 1 667 . 1 1 80 80 SER HA H 1 4.19 0.02 . 1 . . . . . . . . 5053 1 668 . 1 1 80 80 SER CB C 13 63.2 0.20 . 1 . . . . . . . . 5053 1 669 . 1 1 80 80 SER HB2 H 1 3.95 0.02 . 1 . . . . . . . . 5053 1 670 . 1 1 80 80 SER HB3 H 1 3.95 0.02 . 1 . . . . . . . . 5053 1 671 . 1 1 81 81 PHE N N 15 123.4 0.25 . 1 . . . . . . . . 5053 1 672 . 1 1 81 81 PHE H H 1 7.91 0.02 . 1 . . . . . . . . 5053 1 673 . 1 1 81 81 PHE CA C 13 60.0 0.20 . 1 . . . . . . . . 5053 1 674 . 1 1 81 81 PHE HA H 1 4.18 0.02 . 1 . . . . . . . . 5053 1 675 . 1 1 81 81 PHE CB C 13 38.4 0.20 . 1 . . . . . . . . 5053 1 676 . 1 1 81 81 PHE HB2 H 1 3.22 0.02 . 1 . . . . . . . . 5053 1 677 . 1 1 81 81 PHE HB3 H 1 3.22 0.02 . 1 . . . . . . . . 5053 1 678 . 1 1 81 81 PHE HD1 H 1 7.21 0.02 . 3 . . . . . . . . 5053 1 679 . 1 1 82 82 LYS N N 15 120.6 0.25 . 1 . . . . . . . . 5053 1 680 . 1 1 82 82 LYS H H 1 8.10 0.02 . 1 . . . . . . . . 5053 1 681 . 1 1 82 82 LYS CA C 13 58.3 0.20 . 1 . . . . . . . . 5053 1 682 . 1 1 82 82 LYS HA H 1 3.77 0.02 . 1 . . . . . . . . 5053 1 683 . 1 1 82 82 LYS CB C 13 31.9 0.20 . 1 . . . . . . . . 5053 1 684 . 1 1 82 82 LYS HB2 H 1 1.64 0.02 . 2 . . . . . . . . 5053 1 685 . 1 1 82 82 LYS HB3 H 1 1.55 0.02 . 2 . . . . . . . . 5053 1 686 . 1 1 82 82 LYS HG2 H 1 1.21 0.02 . 1 . . . . . . . . 5053 1 687 . 1 1 82 82 LYS HG3 H 1 1.21 0.02 . 1 . . . . . . . . 5053 1 688 . 1 1 83 83 LYS N N 15 119.8 0.25 . 1 . . . . . . . . 5053 1 689 . 1 1 83 83 LYS H H 1 7.78 0.02 . 1 . . . . . . . . 5053 1 690 . 1 1 83 83 LYS CA C 13 58.4 0.20 . 1 . . . . . . . . 5053 1 691 . 1 1 83 83 LYS HA H 1 4.09 0.02 . 1 . . . . . . . . 5053 1 692 . 1 1 83 83 LYS CB C 13 32.5 0.20 . 1 . . . . . . . . 5053 1 693 . 1 1 83 83 LYS HB2 H 1 1.87 0.02 . 1 . . . . . . . . 5053 1 694 . 1 1 83 83 LYS HB3 H 1 1.87 0.02 . 1 . . . . . . . . 5053 1 695 . 1 1 83 83 LYS HG2 H 1 1.65 0.02 . 2 . . . . . . . . 5053 1 696 . 1 1 83 83 LYS HG3 H 1 1.54 0.02 . 2 . . . . . . . . 5053 1 697 . 1 1 84 84 GLU N N 15 120.0 0.25 . 1 . . . . . . . . 5053 1 698 . 1 1 84 84 GLU H H 1 7.88 0.02 . 1 . . . . . . . . 5053 1 699 . 1 1 84 84 GLU CA C 13 58.4 0.20 . 1 . . . . . . . . 5053 1 700 . 1 1 84 84 GLU HA H 1 4.09 0.02 . 1 . . . . . . . . 5053 1 701 . 1 1 84 84 GLU CB C 13 29.8 0.20 . 1 . . . . . . . . 5053 1 702 . 1 1 84 84 GLU HB2 H 1 2.03 0.02 . 1 . . . . . . . . 5053 1 703 . 1 1 84 84 GLU HB3 H 1 2.03 0.02 . 1 . . . . . . . . 5053 1 704 . 1 1 84 84 GLU HG2 H 1 2.35 0.02 . 2 . . . . . . . . 5053 1 705 . 1 1 84 84 GLU HG3 H 1 2.23 0.02 . 2 . . . . . . . . 5053 1 706 . 1 1 85 85 GLN N N 15 118.8 0.25 . 1 . . . . . . . . 5053 1 707 . 1 1 85 85 GLN H H 1 7.90 0.02 . 1 . . . . . . . . 5053 1 708 . 1 1 85 85 GLN CA C 13 57.3 0.20 . 1 . . . . . . . . 5053 1 709 . 1 1 85 85 GLN HA H 1 4.08 0.02 . 1 . . . . . . . . 5053 1 710 . 1 1 85 85 GLN CB C 13 29.4 0.20 . 1 . . . . . . . . 5053 1 711 . 1 1 85 85 GLN HB2 H 1 2.03 0.02 . 2 . . . . . . . . 5053 1 712 . 1 1 85 85 GLN HB3 H 1 1.89 0.02 . 2 . . . . . . . . 5053 1 713 . 1 1 85 85 GLN HG2 H 1 2.13 0.02 . 1 . . . . . . . . 5053 1 714 . 1 1 85 85 GLN HG3 H 1 2.13 0.02 . 1 . . . . . . . . 5053 1 715 . 1 1 86 86 GLU N N 15 120.5 0.25 . 1 . . . . . . . . 5053 1 716 . 1 1 86 86 GLU H H 1 7.98 0.02 . 1 . . . . . . . . 5053 1 717 . 1 1 86 86 GLU CA C 13 57.6 0.20 . 1 . . . . . . . . 5053 1 718 . 1 1 86 86 GLU HA H 1 4.17 0.02 . 1 . . . . . . . . 5053 1 719 . 1 1 86 86 GLU CB C 13 30.1 0.20 . 1 . . . . . . . . 5053 1 720 . 1 1 86 86 GLU HB2 H 1 2.04 0.02 . 1 . . . . . . . . 5053 1 721 . 1 1 86 86 GLU HB3 H 1 2.04 0.02 . 1 . . . . . . . . 5053 1 722 . 1 1 86 86 GLU HG2 H 1 2.37 0.02 . 2 . . . . . . . . 5053 1 723 . 1 1 86 86 GLU HG3 H 1 2.25 0.02 . 2 . . . . . . . . 5053 1 724 . 1 1 87 87 GLN N N 15 119.8 0.25 . 1 . . . . . . . . 5053 1 725 . 1 1 87 87 GLN H H 1 8.03 0.02 . 1 . . . . . . . . 5053 1 726 . 1 1 87 87 GLN CA C 13 56.5 0.20 . 1 . . . . . . . . 5053 1 727 . 1 1 87 87 GLN HA H 1 4.28 0.02 . 1 . . . . . . . . 5053 1 728 . 1 1 87 87 GLN CB C 13 29.4 0.20 . 1 . . . . . . . . 5053 1 729 . 1 1 87 87 GLN HB2 H 1 2.14 0.02 . 2 . . . . . . . . 5053 1 730 . 1 1 87 87 GLN HB3 H 1 2.04 0.02 . 2 . . . . . . . . 5053 1 731 . 1 1 87 87 GLN HG2 H 1 2.41 0.02 . 1 . . . . . . . . 5053 1 732 . 1 1 87 87 GLN HG3 H 1 2.41 0.02 . 1 . . . . . . . . 5053 1 733 . 1 1 88 88 GLN N N 15 121.1 0.25 . 1 . . . . . . . . 5053 1 734 . 1 1 88 88 GLN H H 1 8.20 0.02 . 1 . . . . . . . . 5053 1 735 . 1 1 88 88 GLN CA C 13 56.2 0.20 . 1 . . . . . . . . 5053 1 736 . 1 1 88 88 GLN HA H 1 4.38 0.02 . 1 . . . . . . . . 5053 1 737 . 1 1 88 88 GLN CB C 13 29.4 0.20 . 1 . . . . . . . . 5053 1 738 . 1 1 88 88 GLN HB2 H 1 2.14 0.02 . 2 . . . . . . . . 5053 1 739 . 1 1 88 88 GLN HB3 H 1 2.04 0.02 . 2 . . . . . . . . 5053 1 740 . 1 1 88 88 GLN HG2 H 1 2.41 0.02 . 1 . . . . . . . . 5053 1 741 . 1 1 88 88 GLN HG3 H 1 2.41 0.02 . 1 . . . . . . . . 5053 1 742 . 1 1 89 89 THR N N 15 115.6 0.25 . 1 . . . . . . . . 5053 1 743 . 1 1 89 89 THR H H 1 8.12 0.02 . 1 . . . . . . . . 5053 1 744 . 1 1 89 89 THR CA C 13 62.3 0.20 . 1 . . . . . . . . 5053 1 745 . 1 1 89 89 THR HA H 1 4.32 0.02 . 1 . . . . . . . . 5053 1 746 . 1 1 89 89 THR CB C 13 70.0 0.20 . 1 . . . . . . . . 5053 1 747 . 1 1 89 89 THR HB H 1 4.22 0.02 . 1 . . . . . . . . 5053 1 748 . 1 1 89 89 THR HG21 H 1 1.22 0.02 . 1 . . . . . . . . 5053 1 749 . 1 1 89 89 THR HG22 H 1 1.22 0.02 . 1 . . . . . . . . 5053 1 750 . 1 1 89 89 THR HG23 H 1 1.22 0.02 . 1 . . . . . . . . 5053 1 751 . 1 1 90 90 GLU N N 15 123.6 0.25 . 1 . . . . . . . . 5053 1 752 . 1 1 90 90 GLU H H 1 8.38 0.02 . 1 . . . . . . . . 5053 1 753 . 1 1 90 90 GLU CA C 13 56.8 0.20 . 1 . . . . . . . . 5053 1 754 . 1 1 90 90 GLU HA H 1 4.32 0.02 . 1 . . . . . . . . 5053 1 755 . 1 1 90 90 GLU CB C 13 30.6 0.20 . 1 . . . . . . . . 5053 1 756 . 1 1 91 91 GLN N N 15 122.5 0.25 . 1 . . . . . . . . 5053 1 757 . 1 1 91 91 GLN H H 1 8.35 0.02 . 1 . . . . . . . . 5053 1 758 . 1 1 91 91 GLN CA C 13 55.9 0.20 . 1 . . . . . . . . 5053 1 759 . 1 1 91 91 GLN CB C 13 29.8 0.20 . 1 . . . . . . . . 5053 1 760 . 1 1 92 92 ALA N N 15 132.2 0.25 . 1 . . . . . . . . 5053 1 761 . 1 1 92 92 ALA H H 1 8.01 0.02 . 1 . . . . . . . . 5053 1 762 . 1 1 92 92 ALA CA C 13 54.0 0.20 . 1 . . . . . . . . 5053 1 763 . 1 1 92 92 ALA CB C 13 20.3 0.20 . 1 . . . . . . . . 5053 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_values_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_values_set_1 _Coupling_constant_list.Entry_ID 5053 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 500 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 5053 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 3 3 LEU H . . . . 1 1 3 3 LEU HA . . . 7.1 . . 0.5 . . . . . . . . . . . 5053 1 2 3JHNHA . 1 1 4 4 GLY H . . . . 1 1 4 4 GLY HA . . . 7.9 . . 0.5 . . . . . . . . . . . 5053 1 3 3JHNHA . 1 1 5 5 SER H . . . . 1 1 5 5 SER HA . . . 7.4 . . 0.5 . . . . . . . . . . . 5053 1 4 3JHNHA . 1 1 7 7 ARG H . . . . 1 1 7 7 ARG HA . . . 7.1 . . 0.5 . . . . . . . . . . . 5053 1 5 3JHNHA . 1 1 8 8 ASN H . . . . 1 1 8 8 ASN HA . . . 8.0 . . 0.5 . . . . . . . . . . . 5053 1 6 3JHNHA . 1 1 9 9 ALA H . . . . 1 1 9 9 ALA HA . . . 5.4 . . 0.5 . . . . . . . . . . . 5053 1 7 3JHNHA . 1 1 10 10 ASN H . . . . 1 1 10 10 ASN HA . . . 8.1 . . 0.5 . . . . . . . . . . . 5053 1 8 3JHNHA . 1 1 11 11 ASP H . . . . 1 1 11 11 ASP HA . . . 6.8 . . 0.5 . . . . . . . . . . . 5053 1 9 3JHNHA . 1 1 12 12 ASN H . . . . 1 1 12 12 ASN HA . . . 7.6 . . 0.5 . . . . . . . . . . . 5053 1 10 3JHNHA . 1 1 14 14 GLN H . . . . 1 1 14 14 GLN HA . . . 6.8 . . 0.5 . . . . . . . . . . . 5053 1 11 3JHNHA . 1 1 15 15 PHE H . . . . 1 1 15 15 PHE HA . . . 6.4 . . 0.5 . . . . . . . . . . . 5053 1 12 3JHNHA . 1 1 16 16 TYR H . . . . 1 1 16 16 TYR HA . . . 6.6 . . 0.5 . . . . . . . . . . . 5053 1 13 3JHNHA . 1 1 17 17 GLN H . . . . 1 1 17 17 GLN HA . . . 5.9 . . 0.5 . . . . . . . . . . . 5053 1 14 3JHNHA . 1 1 18 18 GLN H . . . . 1 1 18 18 GLN HA . . . 4.4 . . 0.5 . . . . . . . . . . . 5053 1 15 3JHNHA . 1 1 19 19 LYS H . . . . 1 1 19 19 LYS HA . . . 5.2 . . 0.5 . . . . . . . . . . . 5053 1 16 3JHNHA . 1 1 22 22 GLN H . . . . 1 1 22 22 GLN HA . . . 4.7 . . 0.5 . . . . . . . . . . . 5053 1 17 3JHNHA . 1 1 23 23 ALA H . . . . 1 1 23 23 ALA HA . . . 4.5 . . 0.5 . . . . . . . . . . . 5053 1 18 3JHNHA . 1 1 25 25 GLY H . . . . 1 1 25 25 GLY HA . . . 6.1 . . 0.5 . . . . . . . . . . . 5053 1 19 3JHNHA . 1 1 26 26 GLU H . . . . 1 1 26 26 GLU HA . . . 4.9 . . 0.5 . . . . . . . . . . . 5053 1 20 3JHNHA . 1 1 27 27 GLN H . . . . 1 1 27 27 GLN HA . . . 4.0 . . 0.5 . . . . . . . . . . . 5053 1 21 3JHNHA . 1 1 28 28 LEU H . . . . 1 1 28 28 LEU HA . . . 5.3 . . 0.5 . . . . . . . . . . . 5053 1 22 3JHNHA . 1 1 29 29 TYR H . . . . 1 1 29 29 TYR HA . . . 5.2 . . 0.5 . . . . . . . . . . . 5053 1 23 3JHNHA . 1 1 30 30 LYS H . . . . 1 1 30 30 LYS HA . . . 4.2 . . 0.5 . . . . . . . . . . . 5053 1 24 3JHNHA . 1 1 31 31 LYS H . . . . 1 1 31 31 LYS HA . . . 6.1 . . 0.5 . . . . . . . . . . . 5053 1 25 3JHNHA . 1 1 32 32 VAL H . . . . 1 1 32 32 VAL HA . . . 4.6 . . 0.5 . . . . . . . . . . . 5053 1 26 3JHNHA . 1 1 33 33 SER H . . . . 1 1 33 33 SER HA . . . 3.9 . . 0.5 . . . . . . . . . . . 5053 1 27 3JHNHA . 1 1 34 34 ALA H . . . . 1 1 34 34 ALA HA . . . 5.6 . . 0.5 . . . . . . . . . . . 5053 1 28 3JHNHA . 1 1 35 35 LYS H . . . . 1 1 35 35 LYS HA . . . 9.7 . . 0.5 . . . . . . . . . . . 5053 1 29 3JHNHA . 1 1 37 37 SER H . . . . 1 1 37 37 SER HA . . . 8.0 . . 0.5 . . . . . . . . . . . 5053 1 30 3JHNHA . 1 1 38 38 ASN H . . . . 1 1 38 38 ASN HA . . . 4.3 . . 0.5 . . . . . . . . . . . 5053 1 31 3JHNHA . 1 1 39 39 GLU H . . . . 1 1 39 39 GLU HA . . . 4.1 . . 0.5 . . . . . . . . . . . 5053 1 32 3JHNHA . 1 1 40 40 GLU H . . . . 1 1 40 40 GLU HA . . . 5.1 . . 0.5 . . . . . . . . . . . 5053 1 33 3JHNHA . 1 1 41 41 ALA H . . . . 1 1 41 41 ALA HA . . . 4.5 . . 0.5 . . . . . . . . . . . 5053 1 34 3JHNHA . 1 1 43 43 GLY H . . . . 1 1 43 43 GLY HA . . . 6.3 . . 0.5 . . . . . . . . . . . 5053 1 35 3JHNHA . 1 1 44 44 LYS H . . . . 1 1 44 44 LYS HA . . . 3.7 . . 0.5 . . . . . . . . . . . 5053 1 36 3JHNHA . 1 1 47 47 GLY H . . . . 1 1 47 47 GLY HA . . . 6.1 . . 0.5 . . . . . . . . . . . 5053 1 37 3JHNHA . 1 1 48 48 MET H . . . . 1 1 48 48 MET HA . . . 5.2 . . 0.5 . . . . . . . . . . . 5053 1 38 3JHNHA . 1 1 49 49 ILE H . . . . 1 1 49 49 ILE HA . . . 5.9 . . 0.5 . . . . . . . . . . . 5053 1 39 3JHNHA . 1 1 50 50 LEU H . . . . 1 1 50 50 LEU HA . . . 5.0 . . 0.5 . . . . . . . . . . . 5053 1 40 3JHNHA . 1 1 51 51 ASP H . . . . 1 1 51 51 ASP HA . . . 7.2 . . 0.5 . . . . . . . . . . . 5053 1 41 3JHNHA . 1 1 52 52 LEU H . . . . 1 1 52 52 LEU HA . . . 6.6 . . 0.5 . . . . . . . . . . . 5053 1 42 3JHNHA . 1 1 55 55 GLN H . . . . 1 1 55 55 GLN HA . . . 4.0 . . 0.5 . . . . . . . . . . . 5053 1 43 3JHNHA . 1 1 57 57 VAL H . . . . 1 1 57 57 VAL HA . . . 7.6 . . 0.5 . . . . . . . . . . . 5053 1 44 3JHNHA . 1 1 60 60 LEU H . . . . 1 1 60 60 LEU HA . . . 6.2 . . 0.5 . . . . . . . . . . . 5053 1 45 3JHNHA . 1 1 61 61 LEU H . . . . 1 1 61 61 LEU HA . . . 6.3 . . 0.5 . . . . . . . . . . . 5053 1 46 3JHNHA . 1 1 62 62 GLU H . . . . 1 1 62 62 GLU HA . . . 9.6 . . 0.5 . . . . . . . . . . . 5053 1 47 3JHNHA . 1 1 64 64 ASP H . . . . 1 1 64 64 ASP HA . . . 3.6 . . 0.5 . . . . . . . . . . . 5053 1 48 3JHNHA . 1 1 65 65 GLU H . . . . 1 1 65 65 GLU HA . . . 4.2 . . 0.5 . . . . . . . . . . . 5053 1 49 3JHNHA . 1 1 66 66 LEU H . . . . 1 1 66 66 LEU HA . . . 4.7 . . 0.5 . . . . . . . . . . . 5053 1 50 3JHNHA . 1 1 69 69 GLN H . . . . 1 1 69 69 GLN HA . . . 4.1 . . 0.5 . . . . . . . . . . . 5053 1 51 3JHNHA . 1 1 70 70 HIS H . . . . 1 1 70 70 HIS HA . . . 6.4 . . 0.5 . . . . . . . . . . . 5053 1 52 3JHNHA . 1 1 73 73 GLU H . . . . 1 1 73 73 GLU HA . . . 4.9 . . 0.5 . . . . . . . . . . . 5053 1 53 3JHNHA . 1 1 74 74 ALA H . . . . 1 1 74 74 ALA HA . . . 4.9 . . 0.5 . . . . . . . . . . . 5053 1 54 3JHNHA . 1 1 75 75 SER H . . . . 1 1 75 75 SER HA . . . 4.3 . . 0.5 . . . . . . . . . . . 5053 1 55 3JHNHA . 1 1 76 76 ALA H . . . . 1 1 76 76 ALA HA . . . 4.2 . . 0.5 . . . . . . . . . . . 5053 1 56 3JHNHA . 1 1 77 77 ALA H . . . . 1 1 77 77 ALA HA . . . 5.1 . . 0.5 . . . . . . . . . . . 5053 1 57 3JHNHA . 1 1 80 80 SER H . . . . 1 1 80 80 SER HA . . . 5.7 . . 0.5 . . . . . . . . . . . 5053 1 58 3JHNHA . 1 1 81 81 PHE H . . . . 1 1 81 81 PHE HA . . . 3.6 . . 0.5 . . . . . . . . . . . 5053 1 59 3JHNHA . 1 1 83 83 LYS H . . . . 1 1 83 83 LYS HA . . . 5.7 . . 0.5 . . . . . . . . . . . 5053 1 60 3JHNHA . 1 1 84 84 GLU H . . . . 1 1 84 84 GLU HA . . . 5.9 . . 0.5 . . . . . . . . . . . 5053 1 61 3JHNHA . 1 1 85 85 GLN H . . . . 1 1 85 85 GLN HA . . . 6.4 . . 0.5 . . . . . . . . . . . 5053 1 62 3JHNHA . 1 1 86 86 GLU H . . . . 1 1 86 86 GLU HA . . . 6.3 . . 0.5 . . . . . . . . . . . 5053 1 63 3JHNHA . 1 1 87 87 GLN H . . . . 1 1 87 87 GLN HA . . . 7.6 . . 0.5 . . . . . . . . . . . 5053 1 64 3JHNHA . 1 1 88 88 GLN H . . . . 1 1 88 88 GLN HA . . . 7.0 . . 0.5 . . . . . . . . . . . 5053 1 65 3JHNHA . 1 1 89 89 THR H . . . . 1 1 89 89 THR HA . . . 8.5 . . 0.5 . . . . . . . . . . . 5053 1 66 3JHNHA . 1 1 90 90 GLU H . . . . 1 1 90 90 GLU HA . . . 6.6 . . 0.5 . . . . . . . . . . . 5053 1 67 3JHNHA . 1 1 91 91 GLN H . . . . 1 1 91 91 GLN HA . . . 7.1 . . 0.5 . . . . . . . . . . . 5053 1 68 3JHNHA . 1 1 92 92 ALA H . . . . 1 1 92 92 ALA HA . . . 7.3 . . 0.5 . . . . . . . . . . . 5053 1 stop_ save_