data_5616 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5616 _Entry.Title ; Chemical Shift Assignments of the Prp40 WW Domain Pair ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-12-05 _Entry.Accession_date 2002-12-09 _Entry.Last_release_date 2002-12-27 _Entry.Original_release_date 2002-12-27 _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 Silke Wiesner . . . 5616 2 Gunter Stier . . . 5616 3 Michael Sattler . . . 5616 4 Maria Macias . J. . 5616 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5616 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 517 5616 '13C chemical shifts' 280 5616 '15N chemical shifts' 85 5616 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 . . 2002-12-27 2002-12-05 original author . 5616 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5616 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12460579 _Citation.Full_citation . _Citation.Title ; Solution Structure and Ligand Recognition of the WW Domain Pair of the Yeast Splicing Factor Prp40 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 324 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 807 _Citation.Page_last 822 _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 Silke Wiesner . . . 5616 1 2 Gunter Stier . . . 5616 1 3 Michael Sattler . . . 5616 1 4 Maria Macias . J. . 5616 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'CTD repeat' 5616 1 'NMR structure' 5616 1 proline-rich 5616 1 Prp40 5616 1 'WW domain' 5616 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Prp40 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Prp40 _Assembly.Entry_ID 5616 _Assembly.ID 1 _Assembly.Name 'WW domain pair of S.cerevisiae pre-mRNA processing protein 40' _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 5616 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 'Prp40, WW1-2' 1 $WW1-2 . . . native . . . . . 5616 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 1O6W . . . . . ; The difference in residue numbers between the BMRB and PDB entry equals 11, i.e. aa 12 in the BMRB entry = aa 1 in the PDB entry. ; 5616 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'WW domain pair of S.cerevisiae pre-mRNA processing protein 40' system 5616 1 Prp40 abbreviation 5616 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'cross-intron bridging protein' 5616 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_WW1-2 _Entity.Sf_category entity _Entity.Sf_framecode WW1-2 _Entity.Entry_ID 5616 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'WW domain pair of pre-mRNA processing protein 40' _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 ; MKHHHHHHPMGMSIWKEAKD ASGRIYYYNTLTKKSTWEKP KELISQEELLLRENGWKAAK TADGKVYYYNPTTRETSWTI PAFEKK ; _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 86 _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 10251 _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 1O6W . "Solution Structure Of The Prp40 Ww Domain Pair Of The Yeast Splicing Factor Prp40" . . . . . 86.05 75 100.00 100.00 8.09e-45 . . . . 5616 1 2 no DBJ GAA24712 . "K7_Prp40p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 87.21 583 100.00 100.00 4.30e-43 . . . . 5616 1 3 no EMBL CAA81847 . "PRP40 [Saccharomyces cerevisiae]" . . . . . 87.21 583 100.00 100.00 4.30e-43 . . . . 5616 1 4 no EMBL CAY81071 . "Prp40p [Saccharomyces cerevisiae EC1118]" . . . . . 87.21 583 100.00 100.00 3.82e-43 . . . . 5616 1 5 no GB AAB24902 . "MYO2 homolog [Saccharomyces cerevisiae]" . . . . . 87.21 583 100.00 100.00 4.30e-43 . . . . 5616 1 6 no GB AHY76231 . "Prp40p [Saccharomyces cerevisiae YJM993]" . . . . . 87.21 583 100.00 100.00 3.82e-43 . . . . 5616 1 7 no GB EDN59896 . "U1 snRNP protein [Saccharomyces cerevisiae YJM789]" . . . . . 87.21 583 100.00 100.00 4.30e-43 . . . . 5616 1 8 no GB EDV13075 . "U1 snRNP protein [Saccharomyces cerevisiae RM11-1a]" . . . . . 87.21 583 100.00 100.00 3.82e-43 . . . . 5616 1 9 no GB EDZ70922 . "YKL012Wp-like protein [Saccharomyces cerevisiae AWRI1631]" . . . . . 87.21 429 100.00 100.00 1.02e-43 . . . . 5616 1 10 no REF NP_012913 . "Prp40p [Saccharomyces cerevisiae S288c]" . . . . . 87.21 583 100.00 100.00 4.30e-43 . . . . 5616 1 11 no SP P33203 . "RecName: Full=Pre-mRNA-processing protein PRP40 [Saccharomyces cerevisiae S288c]" . . . . . 87.21 583 100.00 100.00 4.30e-43 . . . . 5616 1 12 no TPG DAA09144 . "TPA: Prp40p [Saccharomyces cerevisiae S288c]" . . . . . 87.21 583 100.00 100.00 4.30e-43 . . . . 5616 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'WW domain pair of pre-mRNA processing protein 40' common 5616 1 Prp40 abbreviation 5616 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 . MET . 5616 1 2 . LYS . 5616 1 3 . HIS . 5616 1 4 . HIS . 5616 1 5 . HIS . 5616 1 6 . HIS . 5616 1 7 . HIS . 5616 1 8 . HIS . 5616 1 9 . PRO . 5616 1 10 . MET . 5616 1 11 . GLY . 5616 1 12 . MET . 5616 1 13 . SER . 5616 1 14 . ILE . 5616 1 15 . TRP . 5616 1 16 . LYS . 5616 1 17 . GLU . 5616 1 18 . ALA . 5616 1 19 . LYS . 5616 1 20 . ASP . 5616 1 21 . ALA . 5616 1 22 . SER . 5616 1 23 . GLY . 5616 1 24 . ARG . 5616 1 25 . ILE . 5616 1 26 . TYR . 5616 1 27 . TYR . 5616 1 28 . TYR . 5616 1 29 . ASN . 5616 1 30 . THR . 5616 1 31 . LEU . 5616 1 32 . THR . 5616 1 33 . LYS . 5616 1 34 . LYS . 5616 1 35 . SER . 5616 1 36 . THR . 5616 1 37 . TRP . 5616 1 38 . GLU . 5616 1 39 . LYS . 5616 1 40 . PRO . 5616 1 41 . LYS . 5616 1 42 . GLU . 5616 1 43 . LEU . 5616 1 44 . ILE . 5616 1 45 . SER . 5616 1 46 . GLN . 5616 1 47 . GLU . 5616 1 48 . GLU . 5616 1 49 . LEU . 5616 1 50 . LEU . 5616 1 51 . LEU . 5616 1 52 . ARG . 5616 1 53 . GLU . 5616 1 54 . ASN . 5616 1 55 . GLY . 5616 1 56 . TRP . 5616 1 57 . LYS . 5616 1 58 . ALA . 5616 1 59 . ALA . 5616 1 60 . LYS . 5616 1 61 . THR . 5616 1 62 . ALA . 5616 1 63 . ASP . 5616 1 64 . GLY . 5616 1 65 . LYS . 5616 1 66 . VAL . 5616 1 67 . TYR . 5616 1 68 . TYR . 5616 1 69 . TYR . 5616 1 70 . ASN . 5616 1 71 . PRO . 5616 1 72 . THR . 5616 1 73 . THR . 5616 1 74 . ARG . 5616 1 75 . GLU . 5616 1 76 . THR . 5616 1 77 . SER . 5616 1 78 . TRP . 5616 1 79 . THR . 5616 1 80 . ILE . 5616 1 81 . PRO . 5616 1 82 . ALA . 5616 1 83 . PHE . 5616 1 84 . GLU . 5616 1 85 . LYS . 5616 1 86 . LYS . 5616 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 . MET 1 1 5616 1 . LYS 2 2 5616 1 . HIS 3 3 5616 1 . HIS 4 4 5616 1 . HIS 5 5 5616 1 . HIS 6 6 5616 1 . HIS 7 7 5616 1 . HIS 8 8 5616 1 . PRO 9 9 5616 1 . MET 10 10 5616 1 . GLY 11 11 5616 1 . MET 12 12 5616 1 . SER 13 13 5616 1 . ILE 14 14 5616 1 . TRP 15 15 5616 1 . LYS 16 16 5616 1 . GLU 17 17 5616 1 . ALA 18 18 5616 1 . LYS 19 19 5616 1 . ASP 20 20 5616 1 . ALA 21 21 5616 1 . SER 22 22 5616 1 . GLY 23 23 5616 1 . ARG 24 24 5616 1 . ILE 25 25 5616 1 . TYR 26 26 5616 1 . TYR 27 27 5616 1 . TYR 28 28 5616 1 . ASN 29 29 5616 1 . THR 30 30 5616 1 . LEU 31 31 5616 1 . THR 32 32 5616 1 . LYS 33 33 5616 1 . LYS 34 34 5616 1 . SER 35 35 5616 1 . THR 36 36 5616 1 . TRP 37 37 5616 1 . GLU 38 38 5616 1 . LYS 39 39 5616 1 . PRO 40 40 5616 1 . LYS 41 41 5616 1 . GLU 42 42 5616 1 . LEU 43 43 5616 1 . ILE 44 44 5616 1 . SER 45 45 5616 1 . GLN 46 46 5616 1 . GLU 47 47 5616 1 . GLU 48 48 5616 1 . LEU 49 49 5616 1 . LEU 50 50 5616 1 . LEU 51 51 5616 1 . ARG 52 52 5616 1 . GLU 53 53 5616 1 . ASN 54 54 5616 1 . GLY 55 55 5616 1 . TRP 56 56 5616 1 . LYS 57 57 5616 1 . ALA 58 58 5616 1 . ALA 59 59 5616 1 . LYS 60 60 5616 1 . THR 61 61 5616 1 . ALA 62 62 5616 1 . ASP 63 63 5616 1 . GLY 64 64 5616 1 . LYS 65 65 5616 1 . VAL 66 66 5616 1 . TYR 67 67 5616 1 . TYR 68 68 5616 1 . TYR 69 69 5616 1 . ASN 70 70 5616 1 . PRO 71 71 5616 1 . THR 72 72 5616 1 . THR 73 73 5616 1 . ARG 74 74 5616 1 . GLU 75 75 5616 1 . THR 76 76 5616 1 . SER 77 77 5616 1 . TRP 78 78 5616 1 . THR 79 79 5616 1 . ILE 80 80 5616 1 . PRO 81 81 5616 1 . ALA 82 82 5616 1 . PHE 83 83 5616 1 . GLU 84 84 5616 1 . LYS 85 85 5616 1 . LYS 86 86 5616 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 5616 _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 $WW1-2 . 4932 . . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . nucleus . . . PRP40 . . . . 5616 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 5616 _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 $WW1-2 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET9d . . . . . . 5616 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-labeled_sample _Sample.Sf_category sample _Sample.Sf_framecode 15N-labeled_sample _Sample.Entry_ID 5616 _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 'WW domain pair of pre-mRNA processing protein 40' '[U-100% 15N]' . . 1 $WW1-2 . . 1.5 . . mM . . . . 5616 1 stop_ save_ save_15N_13C_labeled_sample _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C_labeled_sample _Sample.Entry_ID 5616 _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 'WW domain pair of pre-mRNA processing protein 40' '[U-100% 13C; U-100% 15N]' . . 1 $WW1-2 . . 1.5 . . mM . . . . 5616 2 stop_ save_ ####################### # Sample conditions # ####################### save_Exp_Condition _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Exp_Condition _Sample_condition_list.Entry_ID 5616 _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 5616 1 temperature 295 0.5 K 5616 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5616 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . 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 5616 _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 5616 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5616 _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 . . . 5616 1 2 NMR_spectrometer_2 Bruker DRX . 600 . . . 5616 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 5616 _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 HN-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5616 1 2 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5616 1 3 CBCANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5616 1 4 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5616 1 5 HNHA-J . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5616 1 6 HC-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5616 1 7 HC(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5616 1 8 C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5616 1 9 HC(C)H-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5616 1 10 13C-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5616 1 11 15N-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5616 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 5616 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HN-HSQC _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 5616 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _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 5616 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCANH _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 5616 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 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 5616 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNHA-J _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5616 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HC-HSQC _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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5616 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HC(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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5616 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name C(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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5616 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HC(C)H-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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5616 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 13C-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_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5616 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name 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_ #################### # 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 5616 _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 H2O protons . . . . ppm 4.81 internal direct 1.0 . . . . . . . . . 5616 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 5616 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 5616 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_ChemShifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode ChemShifts _Assigned_chem_shift_list.Entry_ID 5616 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Exp_Condition _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 $15N-labeled_sample . 5616 1 . . 2 $15N_13C_labeled_sample . 5616 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 9 9 PRO CD C 13 48.272 0.02 . 1 . . . . . . . . 5616 1 2 . 1 1 9 9 PRO CA C 13 61.050 0.02 . 1 . . . . . . . . 5616 1 3 . 1 1 9 9 PRO HA H 1 4.293 0.02 . 1 . . . . . . . . 5616 1 4 . 1 1 9 9 PRO CB C 13 29.772 0.02 . 1 . . . . . . . . 5616 1 5 . 1 1 9 9 PRO HB2 H 1 2.179 0.02 . 1 . . . . . . . . 5616 1 6 . 1 1 9 9 PRO HB3 H 1 1.822 0.005 . 1 . . . . . . . . 5616 1 7 . 1 1 9 9 PRO CG C 13 25.078 0.02 . 1 . . . . . . . . 5616 1 8 . 1 1 9 9 PRO HG2 H 1 1.869 0.02 . 2 . . . . . . . . 5616 1 9 . 1 1 9 9 PRO HD2 H 1 3.541 0.003 . 1 . . . . . . . . 5616 1 10 . 1 1 9 9 PRO HD3 H 1 3.366 0.02 . 1 . . . . . . . . 5616 1 11 . 1 1 10 10 MET N N 15 120.437 0.02 . 1 . . . . . . . . 5616 1 12 . 1 1 10 10 MET H H 1 8.664 0.02 . 1 . . . . . . . . 5616 1 13 . 1 1 10 10 MET CA C 13 53.165 0.02 . 1 . . . . . . . . 5616 1 14 . 1 1 10 10 MET HA H 1 4.398 0.02 . 1 . . . . . . . . 5616 1 15 . 1 1 10 10 MET CB C 13 30.626 0.02 . 1 . . . . . . . . 5616 1 16 . 1 1 10 10 MET HB2 H 1 1.922 0.02 . 1 . . . . . . . . 5616 1 17 . 1 1 10 10 MET HB3 H 1 2.014 0.02 . 1 . . . . . . . . 5616 1 18 . 1 1 10 10 MET CG C 13 29.652 0.02 . 1 . . . . . . . . 5616 1 19 . 1 1 10 10 MET HG2 H 1 2.473 0.02 . 2 . . . . . . . . 5616 1 20 . 1 1 11 11 GLY N N 15 109.519 0.02 . 1 . . . . . . . . 5616 1 21 . 1 1 11 11 GLY H H 1 8.370 0.02 . 1 . . . . . . . . 5616 1 22 . 1 1 11 11 GLY CA C 13 43.094 0.02 . 1 . . . . . . . . 5616 1 23 . 1 1 11 11 GLY HA2 H 1 3.866 0.001 . 1 . . . . . . . . 5616 1 24 . 1 1 11 11 GLY HA3 H 1 3.832 0.007 . 1 . . . . . . . . 5616 1 25 . 1 1 12 12 MET N N 15 119.200 0.02 . 1 . . . . . . . . 5616 1 26 . 1 1 12 12 MET H H 1 8.149 0.02 . 1 . . . . . . . . 5616 1 27 . 1 1 12 12 MET CA C 13 53.134 0.02 . 1 . . . . . . . . 5616 1 28 . 1 1 12 12 MET HA H 1 4.405 0.02 . 1 . . . . . . . . 5616 1 29 . 1 1 12 12 MET CB C 13 30.590 0.02 . 1 . . . . . . . . 5616 1 30 . 1 1 12 12 MET HB2 H 1 1.914 0.02 . 1 . . . . . . . . 5616 1 31 . 1 1 12 12 MET HB3 H 1 2.008 0.02 . 1 . . . . . . . . 5616 1 32 . 1 1 12 12 MET CG C 13 29.662 0.02 . 1 . . . . . . . . 5616 1 33 . 1 1 12 12 MET HG2 H 1 2.391 0.02 . 1 . . . . . . . . 5616 1 34 . 1 1 12 12 MET HG3 H 1 2.536 0.02 . 1 . . . . . . . . 5616 1 35 . 1 1 13 13 SER N N 15 116.637 0.02 . 1 . . . . . . . . 5616 1 36 . 1 1 13 13 SER H H 1 8.318 0.02 . 1 . . . . . . . . 5616 1 37 . 1 1 13 13 SER CA C 13 55.811 0.02 . 1 . . . . . . . . 5616 1 38 . 1 1 13 13 SER HA H 1 4.434 0.002 . 1 . . . . . . . . 5616 1 39 . 1 1 13 13 SER CB C 13 61.222 0.02 . 1 . . . . . . . . 5616 1 40 . 1 1 13 13 SER HB2 H 1 3.835 0.002 . 2 . . . . . . . . 5616 1 41 . 1 1 14 14 ILE N N 15 121.182 0.02 . 1 . . . . . . . . 5616 1 42 . 1 1 14 14 ILE H H 1 8.011 0.02 . 1 . . . . . . . . 5616 1 43 . 1 1 14 14 ILE CA C 13 59.925 0.02 . 1 . . . . . . . . 5616 1 44 . 1 1 14 14 ILE HA H 1 3.935 0.02 . 1 . . . . . . . . 5616 1 45 . 1 1 14 14 ILE CB C 13 36.149 0.02 . 1 . . . . . . . . 5616 1 46 . 1 1 14 14 ILE HB H 1 1.681 0.02 . 1 . . . . . . . . 5616 1 47 . 1 1 14 14 ILE HG21 H 1 0.544 0.001 . 1 . . . . . . . . 5616 1 48 . 1 1 14 14 ILE HG22 H 1 0.544 0.001 . 1 . . . . . . . . 5616 1 49 . 1 1 14 14 ILE HG23 H 1 0.544 0.001 . 1 . . . . . . . . 5616 1 50 . 1 1 14 14 ILE CG2 C 13 15.520 0.02 . 1 . . . . . . . . 5616 1 51 . 1 1 14 14 ILE CG1 C 13 24.459 0.02 . 1 . . . . . . . . 5616 1 52 . 1 1 14 14 ILE HG12 H 1 1.002 0.02 . 1 . . . . . . . . 5616 1 53 . 1 1 14 14 ILE HG13 H 1 0.934 0.001 . 1 . . . . . . . . 5616 1 54 . 1 1 14 14 ILE HD11 H 1 0.612 0.001 . 1 . . . . . . . . 5616 1 55 . 1 1 14 14 ILE HD12 H 1 0.612 0.001 . 1 . . . . . . . . 5616 1 56 . 1 1 14 14 ILE HD13 H 1 0.612 0.001 . 1 . . . . . . . . 5616 1 57 . 1 1 14 14 ILE CD1 C 13 11.031 0.02 . 1 . . . . . . . . 5616 1 58 . 1 1 15 15 TRP N N 15 120.990 0.02 . 1 . . . . . . . . 5616 1 59 . 1 1 15 15 TRP H H 1 8.177 0.02 . 1 . . . . . . . . 5616 1 60 . 1 1 15 15 TRP CA C 13 54.082 0.02 . 1 . . . . . . . . 5616 1 61 . 1 1 15 15 TRP HA H 1 5.213 0.02 . 1 . . . . . . . . 5616 1 62 . 1 1 15 15 TRP CB C 13 29.424 0.02 . 1 . . . . . . . . 5616 1 63 . 1 1 15 15 TRP HB2 H 1 3.050 0.02 . 1 . . . . . . . . 5616 1 64 . 1 1 15 15 TRP HB3 H 1 2.855 0.006 . 1 . . . . . . . . 5616 1 65 . 1 1 15 15 TRP CD1 C 13 125.120 0.02 . 1 . . . . . . . . 5616 1 66 . 1 1 15 15 TRP CE3 C 13 118.131 0.02 . 1 . . . . . . . . 5616 1 67 . 1 1 15 15 TRP NE1 N 15 129.174 0.02 . 1 . . . . . . . . 5616 1 68 . 1 1 15 15 TRP HD1 H 1 7.077 0.02 . 1 . . . . . . . . 5616 1 69 . 1 1 15 15 TRP HE3 H 1 7.253 0.004 . 1 . . . . . . . . 5616 1 70 . 1 1 15 15 TRP CZ3 C 13 120.978 0.02 . 1 . . . . . . . . 5616 1 71 . 1 1 15 15 TRP CZ2 C 13 111.918 0.02 . 1 . . . . . . . . 5616 1 72 . 1 1 15 15 TRP HE1 H 1 10.188 0.02 . 1 . . . . . . . . 5616 1 73 . 1 1 15 15 TRP HZ3 H 1 6.946 0.004 . 1 . . . . . . . . 5616 1 74 . 1 1 15 15 TRP CH2 C 13 122.790 0.02 . 1 . . . . . . . . 5616 1 75 . 1 1 15 15 TRP HZ2 H 1 7.444 0.02 . 1 . . . . . . . . 5616 1 76 . 1 1 15 15 TRP HH2 H 1 7.066 0.02 . 1 . . . . . . . . 5616 1 77 . 1 1 16 16 LYS N N 15 121.664 0.02 . 1 . . . . . . . . 5616 1 78 . 1 1 16 16 LYS H H 1 9.398 0.02 . 1 . . . . . . . . 5616 1 79 . 1 1 16 16 LYS CA C 13 51.768 0.02 . 1 . . . . . . . . 5616 1 80 . 1 1 16 16 LYS HA H 1 4.680 0.02 . 1 . . . . . . . . 5616 1 81 . 1 1 16 16 LYS CB C 13 33.236 0.02 . 1 . . . . . . . . 5616 1 82 . 1 1 16 16 LYS HB2 H 1 1.765 0.02 . 1 . . . . . . . . 5616 1 83 . 1 1 16 16 LYS HB3 H 1 1.581 0.02 . 1 . . . . . . . . 5616 1 84 . 1 1 16 16 LYS CG C 13 22.389 0.02 . 1 . . . . . . . . 5616 1 85 . 1 1 16 16 LYS HG2 H 1 1.336 0.02 . 2 . . . . . . . . 5616 1 86 . 1 1 16 16 LYS CD C 13 26.548 0.02 . 1 . . . . . . . . 5616 1 87 . 1 1 16 16 LYS HD2 H 1 1.570 0.001 . 2 . . . . . . . . 5616 1 88 . 1 1 16 16 LYS CE C 13 40.052 0.02 . 1 . . . . . . . . 5616 1 89 . 1 1 16 16 LYS HE2 H 1 2.870 0.02 . 2 . . . . . . . . 5616 1 90 . 1 1 17 17 GLU N N 15 123.378 0.02 . 1 . . . . . . . . 5616 1 91 . 1 1 17 17 GLU H H 1 8.545 0.02 . 1 . . . . . . . . 5616 1 92 . 1 1 17 17 GLU CA C 13 53.409 0.02 . 1 . . . . . . . . 5616 1 93 . 1 1 17 17 GLU HA H 1 4.359 0.02 . 1 . . . . . . . . 5616 1 94 . 1 1 17 17 GLU CB C 13 29.372 0.02 . 1 . . . . . . . . 5616 1 95 . 1 1 17 17 GLU HB2 H 1 1.796 0.02 . 2 . . . . . . . . 5616 1 96 . 1 1 17 17 GLU CG C 13 34.913 0.02 . 1 . . . . . . . . 5616 1 97 . 1 1 17 17 GLU HG2 H 1 1.895 0.002 . 2 . . . . . . . . 5616 1 98 . 1 1 18 18 ALA N N 15 129.945 0.02 . 1 . . . . . . . . 5616 1 99 . 1 1 18 18 ALA H H 1 8.480 0.02 . 1 . . . . . . . . 5616 1 100 . 1 1 18 18 ALA CA C 13 48.327 0.02 . 1 . . . . . . . . 5616 1 101 . 1 1 18 18 ALA HA H 1 4.250 0.007 . 1 . . . . . . . . 5616 1 102 . 1 1 18 18 ALA HB1 H 1 0.460 0.005 . 1 . . . . . . . . 5616 1 103 . 1 1 18 18 ALA HB2 H 1 0.460 0.005 . 1 . . . . . . . . 5616 1 104 . 1 1 18 18 ALA HB3 H 1 0.460 0.005 . 1 . . . . . . . . 5616 1 105 . 1 1 18 18 ALA CB C 13 19.243 0.02 . 1 . . . . . . . . 5616 1 106 . 1 1 19 19 LYS N N 15 115.751 0.02 . 1 . . . . . . . . 5616 1 107 . 1 1 19 19 LYS H H 1 7.777 0.02 . 1 . . . . . . . . 5616 1 108 . 1 1 19 19 LYS CA C 13 52.204 0.02 . 1 . . . . . . . . 5616 1 109 . 1 1 19 19 LYS HA H 1 5.158 0.02 . 1 . . . . . . . . 5616 1 110 . 1 1 19 19 LYS CB C 13 33.724 0.02 . 1 . . . . . . . . 5616 1 111 . 1 1 19 19 LYS HB2 H 1 1.501 0.02 . 2 . . . . . . . . 5616 1 112 . 1 1 19 19 LYS CG C 13 22.902 0.02 . 1 . . . . . . . . 5616 1 113 . 1 1 19 19 LYS HG2 H 1 1.193 0.02 . 2 . . . . . . . . 5616 1 114 . 1 1 19 19 LYS CD C 13 27.196 0.02 . 1 . . . . . . . . 5616 1 115 . 1 1 19 19 LYS HD2 H 1 1.490 0.02 . 2 . . . . . . . . 5616 1 116 . 1 1 19 19 LYS CE C 13 39.497 0.02 . 1 . . . . . . . . 5616 1 117 . 1 1 19 19 LYS HE2 H 1 2.803 0.02 . 2 . . . . . . . . 5616 1 118 . 1 1 20 20 ASP N N 15 123.919 0.02 . 1 . . . . . . . . 5616 1 119 . 1 1 20 20 ASP H H 1 9.018 0.02 . 1 . . . . . . . . 5616 1 120 . 1 1 20 20 ASP CA C 13 49.873 0.02 . 1 . . . . . . . . 5616 1 121 . 1 1 20 20 ASP HA H 1 4.789 0.02 . 1 . . . . . . . . 5616 1 122 . 1 1 20 20 ASP CB C 13 39.044 0.02 . 1 . . . . . . . . 5616 1 123 . 1 1 20 20 ASP HB2 H 1 3.387 0.02 . 1 . . . . . . . . 5616 1 124 . 1 1 20 20 ASP HB3 H 1 2.728 0.02 . 1 . . . . . . . . 5616 1 125 . 1 1 21 21 ALA N N 15 120.471 0.02 . 1 . . . . . . . . 5616 1 126 . 1 1 21 21 ALA H H 1 8.421 0.02 . 1 . . . . . . . . 5616 1 127 . 1 1 21 21 ALA CA C 13 52.495 0.02 . 1 . . . . . . . . 5616 1 128 . 1 1 21 21 ALA HA H 1 4.095 0.02 . 1 . . . . . . . . 5616 1 129 . 1 1 21 21 ALA HB1 H 1 1.397 0.02 . 1 . . . . . . . . 5616 1 130 . 1 1 21 21 ALA HB2 H 1 1.397 0.02 . 1 . . . . . . . . 5616 1 131 . 1 1 21 21 ALA HB3 H 1 1.397 0.02 . 1 . . . . . . . . 5616 1 132 . 1 1 21 21 ALA CB C 13 16.263 0.02 . 1 . . . . . . . . 5616 1 133 . 1 1 22 22 SER N N 15 113.190 0.02 . 1 . . . . . . . . 5616 1 134 . 1 1 22 22 SER H H 1 8.262 0.02 . 1 . . . . . . . . 5616 1 135 . 1 1 22 22 SER CA C 13 55.996 0.02 . 1 . . . . . . . . 5616 1 136 . 1 1 22 22 SER HA H 1 4.496 0.02 . 1 . . . . . . . . 5616 1 137 . 1 1 22 22 SER CB C 13 61.728 0.02 . 1 . . . . . . . . 5616 1 138 . 1 1 22 22 SER HB2 H 1 3.931 0.02 . 1 . . . . . . . . 5616 1 139 . 1 1 22 22 SER HB3 H 1 3.892 0.02 . 1 . . . . . . . . 5616 1 140 . 1 1 23 23 GLY N N 15 110.360 0.02 . 1 . . . . . . . . 5616 1 141 . 1 1 23 23 GLY H H 1 8.207 0.02 . 1 . . . . . . . . 5616 1 142 . 1 1 23 23 GLY CA C 13 42.726 0.02 . 1 . . . . . . . . 5616 1 143 . 1 1 23 23 GLY HA2 H 1 4.251 0.02 . 1 . . . . . . . . 5616 1 144 . 1 1 23 23 GLY HA3 H 1 3.477 0.005 . 1 . . . . . . . . 5616 1 145 . 1 1 24 24 ARG N N 15 122.935 0.02 . 1 . . . . . . . . 5616 1 146 . 1 1 24 24 ARG H H 1 8.177 0.02 . 1 . . . . . . . . 5616 1 147 . 1 1 24 24 ARG CA C 13 53.953 0.02 . 1 . . . . . . . . 5616 1 148 . 1 1 24 24 ARG HA H 1 4.254 0.007 . 1 . . . . . . . . 5616 1 149 . 1 1 24 24 ARG CB C 13 28.722 0.02 . 1 . . . . . . . . 5616 1 150 . 1 1 24 24 ARG HB2 H 1 1.897 0.02 . 1 . . . . . . . . 5616 1 151 . 1 1 24 24 ARG HB3 H 1 1.810 0.002 . 1 . . . . . . . . 5616 1 152 . 1 1 24 24 ARG CG C 13 24.878 0.02 . 1 . . . . . . . . 5616 1 153 . 1 1 24 24 ARG HG2 H 1 1.609 0.02 . 1 . . . . . . . . 5616 1 154 . 1 1 24 24 ARG HG3 H 1 1.619 0.003 . 1 . . . . . . . . 5616 1 155 . 1 1 24 24 ARG CD C 13 41.056 0.02 . 1 . . . . . . . . 5616 1 156 . 1 1 24 24 ARG HD2 H 1 2.789 0.02 . 1 . . . . . . . . 5616 1 157 . 1 1 24 24 ARG HD3 H 1 2.701 0.003 . 1 . . . . . . . . 5616 1 158 . 1 1 24 24 ARG NE N 15 114.114 0.02 . 1 . . . . . . . . 5616 1 159 . 1 1 24 24 ARG HE H 1 7.179 0.02 . 1 . . . . . . . . 5616 1 160 . 1 1 25 25 ILE N N 15 125.689 0.02 . 1 . . . . . . . . 5616 1 161 . 1 1 25 25 ILE H H 1 8.302 0.02 . 1 . . . . . . . . 5616 1 162 . 1 1 25 25 ILE CA C 13 58.587 0.02 . 1 . . . . . . . . 5616 1 163 . 1 1 25 25 ILE HA H 1 4.550 0.02 . 1 . . . . . . . . 5616 1 164 . 1 1 25 25 ILE CB C 13 36.293 0.02 . 1 . . . . . . . . 5616 1 165 . 1 1 25 25 ILE HB H 1 1.615 0.02 . 1 . . . . . . . . 5616 1 166 . 1 1 25 25 ILE HG21 H 1 0.520 0.001 . 1 . . . . . . . . 5616 1 167 . 1 1 25 25 ILE HG22 H 1 0.520 0.001 . 1 . . . . . . . . 5616 1 168 . 1 1 25 25 ILE HG23 H 1 0.520 0.001 . 1 . . . . . . . . 5616 1 169 . 1 1 25 25 ILE CG2 C 13 15.120 0.02 . 1 . . . . . . . . 5616 1 170 . 1 1 25 25 ILE CG1 C 13 26.279 0.008 . 1 . . . . . . . . 5616 1 171 . 1 1 25 25 ILE HG12 H 1 1.007 0.02 . 1 . . . . . . . . 5616 1 172 . 1 1 25 25 ILE HG13 H 1 1.544 0.02 . 1 . . . . . . . . 5616 1 173 . 1 1 25 25 ILE HD11 H 1 0.746 0.02 . 1 . . . . . . . . 5616 1 174 . 1 1 25 25 ILE HD12 H 1 0.746 0.02 . 1 . . . . . . . . 5616 1 175 . 1 1 25 25 ILE HD13 H 1 0.746 0.02 . 1 . . . . . . . . 5616 1 176 . 1 1 25 25 ILE CD1 C 13 10.445 0.02 . 1 . . . . . . . . 5616 1 177 . 1 1 26 26 TYR N N 15 123.609 0.02 . 1 . . . . . . . . 5616 1 178 . 1 1 26 26 TYR H H 1 8.547 0.02 . 1 . . . . . . . . 5616 1 179 . 1 1 26 26 TYR CA C 13 52.683 0.02 . 1 . . . . . . . . 5616 1 180 . 1 1 26 26 TYR HA H 1 4.536 0.001 . 1 . . . . . . . . 5616 1 181 . 1 1 26 26 TYR CB C 13 37.168 0.02 . 1 . . . . . . . . 5616 1 182 . 1 1 26 26 TYR HB2 H 1 2.220 0.02 . 1 . . . . . . . . 5616 1 183 . 1 1 26 26 TYR HB3 H 1 2.175 0.02 . 1 . . . . . . . . 5616 1 184 . 1 1 26 26 TYR CD1 C 13 131.869 0.02 . 1 . . . . . . . . 5616 1 185 . 1 1 26 26 TYR HD1 H 1 6.691 0.02 . 1 . . . . . . . . 5616 1 186 . 1 1 26 26 TYR CE1 C 13 118.203 0.02 . 1 . . . . . . . . 5616 1 187 . 1 1 26 26 TYR HE1 H 1 7.537 0.02 . 1 . . . . . . . . 5616 1 188 . 1 1 27 27 TYR N N 15 116.252 0.02 . 1 . . . . . . . . 5616 1 189 . 1 1 27 27 TYR H H 1 8.660 0.02 . 1 . . . . . . . . 5616 1 190 . 1 1 27 27 TYR CA C 13 54.062 0.02 . 1 . . . . . . . . 5616 1 191 . 1 1 27 27 TYR HA H 1 5.095 0.02 . 1 . . . . . . . . 5616 1 192 . 1 1 27 27 TYR CB C 13 38.233 0.02 . 1 . . . . . . . . 5616 1 193 . 1 1 27 27 TYR HB2 H 1 2.621 0.02 . 1 . . . . . . . . 5616 1 194 . 1 1 27 27 TYR HB3 H 1 2.718 0.009 . 1 . . . . . . . . 5616 1 195 . 1 1 27 27 TYR CD1 C 13 131.351 0.02 . 1 . . . . . . . . 5616 1 196 . 1 1 27 27 TYR HD1 H 1 6.637 0.02 . 1 . . . . . . . . 5616 1 197 . 1 1 27 27 TYR CE1 C 13 115.043 0.02 . 1 . . . . . . . . 5616 1 198 . 1 1 27 27 TYR HE1 H 1 6.616 0.02 . 1 . . . . . . . . 5616 1 199 . 1 1 28 28 TYR N N 15 123.744 0.02 . 1 . . . . . . . . 5616 1 200 . 1 1 28 28 TYR H H 1 9.332 0.02 . 1 . . . . . . . . 5616 1 201 . 1 1 28 28 TYR CA C 13 53.735 0.02 . 1 . . . . . . . . 5616 1 202 . 1 1 28 28 TYR HA H 1 5.337 0.02 . 1 . . . . . . . . 5616 1 203 . 1 1 28 28 TYR CB C 13 39.437 0.081 . 1 . . . . . . . . 5616 1 204 . 1 1 28 28 TYR HB2 H 1 2.706 0.02 . 1 . . . . . . . . 5616 1 205 . 1 1 28 28 TYR CD1 C 13 130.575 0.02 . 1 . . . . . . . . 5616 1 206 . 1 1 28 28 TYR HD1 H 1 6.780 0.02 . 1 . . . . . . . . 5616 1 207 . 1 1 28 28 TYR CE1 C 13 115.043 0.02 . 1 . . . . . . . . 5616 1 208 . 1 1 28 28 TYR HE1 H 1 6.391 0.02 . 1 . . . . . . . . 5616 1 209 . 1 1 29 29 ASN N N 15 127.373 0.02 . 1 . . . . . . . . 5616 1 210 . 1 1 29 29 ASN H H 1 8.042 0.02 . 1 . . . . . . . . 5616 1 211 . 1 1 29 29 ASN CA C 13 49.266 0.02 . 1 . . . . . . . . 5616 1 212 . 1 1 29 29 ASN HA H 1 3.998 0.002 . 1 . . . . . . . . 5616 1 213 . 1 1 29 29 ASN CB C 13 35.934 0.02 . 1 . . . . . . . . 5616 1 214 . 1 1 29 29 ASN HB2 H 1 2.389 0.009 . 1 . . . . . . . . 5616 1 215 . 1 1 29 29 ASN HB3 H 1 0.569 0.004 . 1 . . . . . . . . 5616 1 216 . 1 1 29 29 ASN ND2 N 15 112.330 0.02 . 1 . . . . . . . . 5616 1 217 . 1 1 29 29 ASN HD21 H 1 6.427 0.02 . 2 . . . . . . . . 5616 1 218 . 1 1 30 30 THR N N 15 115.867 0.02 . 1 . . . . . . . . 5616 1 219 . 1 1 30 30 THR H H 1 8.341 0.02 . 1 . . . . . . . . 5616 1 220 . 1 1 30 30 THR CA C 13 61.595 0.02 . 1 . . . . . . . . 5616 1 221 . 1 1 30 30 THR HA H 1 3.653 0.001 . 1 . . . . . . . . 5616 1 222 . 1 1 30 30 THR CB C 13 66.665 0.02 . 1 . . . . . . . . 5616 1 223 . 1 1 30 30 THR HB H 1 4.180 0.02 . 1 . . . . . . . . 5616 1 224 . 1 1 30 30 THR HG21 H 1 1.258 0.02 . 1 . . . . . . . . 5616 1 225 . 1 1 30 30 THR HG22 H 1 1.258 0.02 . 1 . . . . . . . . 5616 1 226 . 1 1 30 30 THR HG23 H 1 1.258 0.02 . 1 . . . . . . . . 5616 1 227 . 1 1 30 30 THR CG2 C 13 19.714 0.02 . 1 . . . . . . . . 5616 1 228 . 1 1 31 31 LEU N N 15 121.432 0.02 . 1 . . . . . . . . 5616 1 229 . 1 1 31 31 LEU H H 1 8.119 0.02 . 1 . . . . . . . . 5616 1 230 . 1 1 31 31 LEU CA C 13 54.107 0.02 . 1 . . . . . . . . 5616 1 231 . 1 1 31 31 LEU HA H 1 4.292 0.02 . 1 . . . . . . . . 5616 1 232 . 1 1 31 31 LEU CB C 13 39.854 0.02 . 1 . . . . . . . . 5616 1 233 . 1 1 31 31 LEU HB2 H 1 1.609 0.02 . 1 . . . . . . . . 5616 1 234 . 1 1 31 31 LEU HB3 H 1 1.503 0.02 . 1 . . . . . . . . 5616 1 235 . 1 1 31 31 LEU CG C 13 24.622 0.02 . 1 . . . . . . . . 5616 1 236 . 1 1 31 31 LEU HG H 1 1.358 0.001 . 1 . . . . . . . . 5616 1 237 . 1 1 31 31 LEU HD11 H 1 0.744 0.02 . 1 . . . . . . . . 5616 1 238 . 1 1 31 31 LEU HD12 H 1 0.744 0.02 . 1 . . . . . . . . 5616 1 239 . 1 1 31 31 LEU HD13 H 1 0.744 0.02 . 1 . . . . . . . . 5616 1 240 . 1 1 31 31 LEU HD21 H 1 0.673 0.002 . 1 . . . . . . . . 5616 1 241 . 1 1 31 31 LEU HD22 H 1 0.673 0.002 . 1 . . . . . . . . 5616 1 242 . 1 1 31 31 LEU HD23 H 1 0.673 0.002 . 1 . . . . . . . . 5616 1 243 . 1 1 31 31 LEU CD1 C 13 21.770 0.02 . 1 . . . . . . . . 5616 1 244 . 1 1 31 31 LEU CD2 C 13 21.103 0.02 . 1 . . . . . . . . 5616 1 245 . 1 1 32 32 THR N N 15 109.046 0.02 . 1 . . . . . . . . 5616 1 246 . 1 1 32 32 THR H H 1 7.709 0.02 . 1 . . . . . . . . 5616 1 247 . 1 1 32 32 THR CA C 13 59.204 0.02 . 1 . . . . . . . . 5616 1 248 . 1 1 32 32 THR HA H 1 3.967 0.001 . 1 . . . . . . . . 5616 1 249 . 1 1 32 32 THR CB C 13 67.323 0.02 . 1 . . . . . . . . 5616 1 250 . 1 1 32 32 THR HB H 1 4.124 0.02 . 1 . . . . . . . . 5616 1 251 . 1 1 32 32 THR HG21 H 1 0.917 0.001 . 1 . . . . . . . . 5616 1 252 . 1 1 32 32 THR HG22 H 1 0.917 0.001 . 1 . . . . . . . . 5616 1 253 . 1 1 32 32 THR HG23 H 1 0.917 0.001 . 1 . . . . . . . . 5616 1 254 . 1 1 32 32 THR CG2 C 13 18.518 0.02 . 1 . . . . . . . . 5616 1 255 . 1 1 33 33 LYS N N 15 115.578 0.02 . 1 . . . . . . . . 5616 1 256 . 1 1 33 33 LYS H H 1 7.924 0.02 . 1 . . . . . . . . 5616 1 257 . 1 1 33 33 LYS CA C 13 54.998 0.02 . 1 . . . . . . . . 5616 1 258 . 1 1 33 33 LYS HA H 1 3.623 0.001 . 1 . . . . . . . . 5616 1 259 . 1 1 33 33 LYS CB C 13 26.152 0.02 . 1 . . . . . . . . 5616 1 260 . 1 1 33 33 LYS HB2 H 1 2.064 0.02 . 1 . . . . . . . . 5616 1 261 . 1 1 33 33 LYS HB3 H 1 1.967 0.02 . 1 . . . . . . . . 5616 1 262 . 1 1 33 33 LYS CG C 13 22.791 0.02 . 1 . . . . . . . . 5616 1 263 . 1 1 33 33 LYS HG2 H 1 1.127 0.02 . 2 . . . . . . . . 5616 1 264 . 1 1 33 33 LYS CD C 13 30.874 0.02 . 1 . . . . . . . . 5616 1 265 . 1 1 33 33 LYS HD2 H 1 1.528 0.02 . 1 . . . . . . . . 5616 1 266 . 1 1 33 33 LYS HD3 H 1 1.531 0.02 . 1 . . . . . . . . 5616 1 267 . 1 1 33 33 LYS CE C 13 39.728 0.02 . 1 . . . . . . . . 5616 1 268 . 1 1 33 33 LYS HE2 H 1 2.874 0.02 . 2 . . . . . . . . 5616 1 269 . 1 1 34 34 LYS N N 15 118.489 0.02 . 1 . . . . . . . . 5616 1 270 . 1 1 34 34 LYS H H 1 6.998 0.02 . 1 . . . . . . . . 5616 1 271 . 1 1 34 34 LYS CA C 13 52.720 0.02 . 1 . . . . . . . . 5616 1 272 . 1 1 34 34 LYS HA H 1 4.463 0.02 . 1 . . . . . . . . 5616 1 273 . 1 1 34 34 LYS CB C 13 31.991 0.02 . 1 . . . . . . . . 5616 1 274 . 1 1 34 34 LYS HB2 H 1 1.768 0.02 . 1 . . . . . . . . 5616 1 275 . 1 1 34 34 LYS HB3 H 1 1.517 0.02 . 1 . . . . . . . . 5616 1 276 . 1 1 34 34 LYS CG C 13 22.398 0.02 . 1 . . . . . . . . 5616 1 277 . 1 1 34 34 LYS HG2 H 1 1.362 0.02 . 1 . . . . . . . . 5616 1 278 . 1 1 34 34 LYS HG3 H 1 1.293 0.001 . 1 . . . . . . . . 5616 1 279 . 1 1 34 34 LYS CD C 13 26.395 0.02 . 1 . . . . . . . . 5616 1 280 . 1 1 34 34 LYS HD2 H 1 1.624 0.02 . 2 . . . . . . . . 5616 1 281 . 1 1 34 34 LYS CE C 13 39.737 0.02 . 1 . . . . . . . . 5616 1 282 . 1 1 34 34 LYS HE2 H 1 2.942 0.006 . 2 . . . . . . . . 5616 1 283 . 1 1 35 35 SER N N 15 115.482 0.02 . 1 . . . . . . . . 5616 1 284 . 1 1 35 35 SER H H 1 8.353 0.02 . 1 . . . . . . . . 5616 1 285 . 1 1 35 35 SER CA C 13 54.622 0.02 . 1 . . . . . . . . 5616 1 286 . 1 1 35 35 SER HA H 1 5.937 0.001 . 1 . . . . . . . . 5616 1 287 . 1 1 35 35 SER CB C 13 64.058 0.02 . 1 . . . . . . . . 5616 1 288 . 1 1 35 35 SER HB2 H 1 3.580 0.02 . 2 . . . . . . . . 5616 1 289 . 1 1 36 36 THR N N 15 116.599 0.02 . 1 . . . . . . . . 5616 1 290 . 1 1 36 36 THR H H 1 9.257 0.02 . 1 . . . . . . . . 5616 1 291 . 1 1 36 36 THR CA C 13 57.235 0.02 . 1 . . . . . . . . 5616 1 292 . 1 1 36 36 THR HA H 1 4.700 0.001 . 1 . . . . . . . . 5616 1 293 . 1 1 36 36 THR CB C 13 67.798 0.02 . 1 . . . . . . . . 5616 1 294 . 1 1 36 36 THR HB H 1 4.224 0.02 . 1 . . . . . . . . 5616 1 295 . 1 1 36 36 THR HG21 H 1 1.190 0.02 . 1 . . . . . . . . 5616 1 296 . 1 1 36 36 THR HG22 H 1 1.190 0.02 . 1 . . . . . . . . 5616 1 297 . 1 1 36 36 THR HG23 H 1 1.190 0.02 . 1 . . . . . . . . 5616 1 298 . 1 1 36 36 THR CG2 C 13 17.876 0.02 . 1 . . . . . . . . 5616 1 299 . 1 1 37 37 TRP N N 15 124.745 0.02 . 1 . . . . . . . . 5616 1 300 . 1 1 37 37 TRP H H 1 8.491 0.02 . 1 . . . . . . . . 5616 1 301 . 1 1 37 37 TRP CA C 13 55.932 0.02 . 1 . . . . . . . . 5616 1 302 . 1 1 37 37 TRP HA H 1 4.927 0.009 . 1 . . . . . . . . 5616 1 303 . 1 1 37 37 TRP CB C 13 27.939 0.02 . 1 . . . . . . . . 5616 1 304 . 1 1 37 37 TRP HB2 H 1 3.580 0.001 . 1 . . . . . . . . 5616 1 305 . 1 1 37 37 TRP HB3 H 1 3.095 0.008 . 1 . . . . . . . . 5616 1 306 . 1 1 37 37 TRP CD1 C 13 124.880 0.02 . 1 . . . . . . . . 5616 1 307 . 1 1 37 37 TRP CE3 C 13 118.390 0.02 . 1 . . . . . . . . 5616 1 308 . 1 1 37 37 TRP NE1 N 15 128.420 0.02 . 1 . . . . . . . . 5616 1 309 . 1 1 37 37 TRP HD1 H 1 7.265 0.002 . 1 . . . . . . . . 5616 1 310 . 1 1 37 37 TRP HE3 H 1 7.905 0.02 . 1 . . . . . . . . 5616 1 311 . 1 1 37 37 TRP CZ3 C 13 119.943 0.02 . 1 . . . . . . . . 5616 1 312 . 1 1 37 37 TRP CZ2 C 13 112.177 0.02 . 1 . . . . . . . . 5616 1 313 . 1 1 37 37 TRP HE1 H 1 10.033 0.02 . 1 . . . . . . . . 5616 1 314 . 1 1 37 37 TRP HZ3 H 1 6.839 0.02 . 1 . . . . . . . . 5616 1 315 . 1 1 37 37 TRP CH2 C 13 122.014 0.02 . 1 . . . . . . . . 5616 1 316 . 1 1 37 37 TRP HZ2 H 1 7.192 0.002 . 1 . . . . . . . . 5616 1 317 . 1 1 37 37 TRP HH2 H 1 7.055 0.02 . 1 . . . . . . . . 5616 1 318 . 1 1 38 38 GLU N N 15 120.508 0.02 . 1 . . . . . . . . 5616 1 319 . 1 1 38 38 GLU H H 1 8.018 0.02 . 1 . . . . . . . . 5616 1 320 . 1 1 38 38 GLU CA C 13 52.418 0.02 . 1 . . . . . . . . 5616 1 321 . 1 1 38 38 GLU HA H 1 4.401 0.02 . 1 . . . . . . . . 5616 1 322 . 1 1 38 38 GLU CB C 13 28.650 0.02 . 1 . . . . . . . . 5616 1 323 . 1 1 38 38 GLU HB2 H 1 1.759 0.02 . 2 . . . . . . . . 5616 1 324 . 1 1 38 38 GLU CG C 13 33.591 0.02 . 1 . . . . . . . . 5616 1 325 . 1 1 38 38 GLU HG2 H 1 2.067 0.02 . 2 . . . . . . . . 5616 1 326 . 1 1 39 39 LYS N N 15 127.615 0.02 . 1 . . . . . . . . 5616 1 327 . 1 1 39 39 LYS H H 1 8.393 0.02 . 1 . . . . . . . . 5616 1 328 . 1 1 39 39 LYS CA C 13 52.677 0.02 . 1 . . . . . . . . 5616 1 329 . 1 1 39 39 LYS HA H 1 2.724 0.02 . 1 . . . . . . . . 5616 1 330 . 1 1 39 39 LYS CB C 13 30.463 0.02 . 1 . . . . . . . . 5616 1 331 . 1 1 39 39 LYS HB2 H 1 1.371 0.001 . 1 . . . . . . . . 5616 1 332 . 1 1 39 39 LYS HB3 H 1 1.289 0.001 . 1 . . . . . . . . 5616 1 333 . 1 1 39 39 LYS CG C 13 22.415 0.02 . 1 . . . . . . . . 5616 1 334 . 1 1 39 39 LYS HG2 H 1 0.394 0.02 . 1 . . . . . . . . 5616 1 335 . 1 1 39 39 LYS HG3 H 1 0.877 0.02 . 1 . . . . . . . . 5616 1 336 . 1 1 39 39 LYS CD C 13 27.575 0.02 . 1 . . . . . . . . 5616 1 337 . 1 1 39 39 LYS HD2 H 1 1.411 0.02 . 1 . . . . . . . . 5616 1 338 . 1 1 39 39 LYS HD3 H 1 1.359 0.001 . 1 . . . . . . . . 5616 1 339 . 1 1 39 39 LYS CE C 13 39.221 0.009 . 1 . . . . . . . . 5616 1 340 . 1 1 39 39 LYS HE2 H 1 2.508 0.001 . 1 . . . . . . . . 5616 1 341 . 1 1 39 39 LYS HE3 H 1 2.721 0.003 . 1 . . . . . . . . 5616 1 342 . 1 1 40 40 PRO CD C 13 48.546 0.02 . 1 . . . . . . . . 5616 1 343 . 1 1 40 40 PRO CA C 13 59.731 0.02 . 1 . . . . . . . . 5616 1 344 . 1 1 40 40 PRO HA H 1 3.928 0.02 . 1 . . . . . . . . 5616 1 345 . 1 1 40 40 PRO CB C 13 29.672 0.02 . 1 . . . . . . . . 5616 1 346 . 1 1 40 40 PRO HB2 H 1 1.367 0.007 . 1 . . . . . . . . 5616 1 347 . 1 1 40 40 PRO HB3 H 1 0.978 0.008 . 1 . . . . . . . . 5616 1 348 . 1 1 40 40 PRO CG C 13 23.331 0.02 . 1 . . . . . . . . 5616 1 349 . 1 1 40 40 PRO HG2 H 1 0.103 0.02 . 1 . . . . . . . . 5616 1 350 . 1 1 40 40 PRO HD2 H 1 2.812 0.02 . 1 . . . . . . . . 5616 1 351 . 1 1 40 40 PRO HD3 H 1 2.112 0.02 . 1 . . . . . . . . 5616 1 352 . 1 1 41 41 LYS N N 15 123.840 0.02 . 1 . . . . . . . . 5616 1 353 . 1 1 41 41 LYS H H 1 8.473 0.02 . 1 . . . . . . . . 5616 1 354 . 1 1 41 41 LYS CA C 13 56.598 0.02 . 1 . . . . . . . . 5616 1 355 . 1 1 41 41 LYS HA H 1 3.722 0.02 . 1 . . . . . . . . 5616 1 356 . 1 1 41 41 LYS CB C 13 29.524 0.02 . 1 . . . . . . . . 5616 1 357 . 1 1 41 41 LYS HB2 H 1 1.722 0.02 . 2 . . . . . . . . 5616 1 358 . 1 1 41 41 LYS CG C 13 22.577 0.02 . 1 . . . . . . . . 5616 1 359 . 1 1 41 41 LYS HG2 H 1 1.352 0.02 . 2 . . . . . . . . 5616 1 360 . 1 1 41 41 LYS CD C 13 26.504 0.02 . 1 . . . . . . . . 5616 1 361 . 1 1 41 41 LYS HD2 H 1 1.555 0.02 . 2 . . . . . . . . 5616 1 362 . 1 1 41 41 LYS CE C 13 39.905 0.02 . 1 . . . . . . . . 5616 1 363 . 1 1 41 41 LYS HE2 H 1 2.869 0.001 . 2 . . . . . . . . 5616 1 364 . 1 1 42 42 GLU N N 15 117.454 0.02 . 1 . . . . . . . . 5616 1 365 . 1 1 42 42 GLU H H 1 9.261 0.02 . 1 . . . . . . . . 5616 1 366 . 1 1 42 42 GLU CA C 13 56.833 0.02 . 1 . . . . . . . . 5616 1 367 . 1 1 42 42 GLU HA H 1 4.020 0.02 . 1 . . . . . . . . 5616 1 368 . 1 1 42 42 GLU CB C 13 27.005 0.02 . 1 . . . . . . . . 5616 1 369 . 1 1 42 42 GLU HB2 H 1 1.950 0.02 . 1 . . . . . . . . 5616 1 370 . 1 1 42 42 GLU HB3 H 1 1.920 0.02 . 1 . . . . . . . . 5616 1 371 . 1 1 42 42 GLU CG C 13 34.472 0.02 . 1 . . . . . . . . 5616 1 372 . 1 1 42 42 GLU HG2 H 1 2.265 0.02 . 1 . . . . . . . . 5616 1 373 . 1 1 42 42 GLU HG3 H 1 2.329 0.02 . 1 . . . . . . . . 5616 1 374 . 1 1 43 43 LEU N N 15 118.756 0.02 . 1 . . . . . . . . 5616 1 375 . 1 1 43 43 LEU H H 1 7.046 0.02 . 1 . . . . . . . . 5616 1 376 . 1 1 43 43 LEU CA C 13 53.563 0.02 . 1 . . . . . . . . 5616 1 377 . 1 1 43 43 LEU HA H 1 4.215 0.02 . 1 . . . . . . . . 5616 1 378 . 1 1 43 43 LEU CB C 13 39.504 0.02 . 1 . . . . . . . . 5616 1 379 . 1 1 43 43 LEU HB2 H 1 1.418 0.02 . 1 . . . . . . . . 5616 1 380 . 1 1 43 43 LEU HB3 H 1 1.075 0.02 . 1 . . . . . . . . 5616 1 381 . 1 1 43 43 LEU CG C 13 25.166 0.02 . 1 . . . . . . . . 5616 1 382 . 1 1 43 43 LEU HG H 1 1.232 0.002 . 1 . . . . . . . . 5616 1 383 . 1 1 43 43 LEU HD21 H 1 0.751 0.001 . 1 . . . . . . . . 5616 1 384 . 1 1 43 43 LEU HD22 H 1 0.751 0.001 . 1 . . . . . . . . 5616 1 385 . 1 1 43 43 LEU HD23 H 1 0.751 0.001 . 1 . . . . . . . . 5616 1 386 . 1 1 43 43 LEU CD2 C 13 22.086 0.02 . 1 . . . . . . . . 5616 1 387 . 1 1 44 44 ILE N N 15 121.124 0.02 . 1 . . . . . . . . 5616 1 388 . 1 1 44 44 ILE H H 1 7.376 0.02 . 1 . . . . . . . . 5616 1 389 . 1 1 44 44 ILE CA C 13 61.518 0.02 . 1 . . . . . . . . 5616 1 390 . 1 1 44 44 ILE HA H 1 3.715 0.02 . 1 . . . . . . . . 5616 1 391 . 1 1 44 44 ILE CB C 13 36.079 0.02 . 1 . . . . . . . . 5616 1 392 . 1 1 44 44 ILE HB H 1 1.741 0.004 . 1 . . . . . . . . 5616 1 393 . 1 1 44 44 ILE HG21 H 1 0.801 0.02 . 1 . . . . . . . . 5616 1 394 . 1 1 44 44 ILE HG22 H 1 0.801 0.02 . 1 . . . . . . . . 5616 1 395 . 1 1 44 44 ILE HG23 H 1 0.801 0.02 . 1 . . . . . . . . 5616 1 396 . 1 1 44 44 ILE CG2 C 13 14.611 0.02 . 1 . . . . . . . . 5616 1 397 . 1 1 44 44 ILE CG1 C 13 25.831 0.02 . 1 . . . . . . . . 5616 1 398 . 1 1 44 44 ILE HG12 H 1 0.875 0.02 . 1 . . . . . . . . 5616 1 399 . 1 1 44 44 ILE HG13 H 1 1.333 0.001 . 1 . . . . . . . . 5616 1 400 . 1 1 44 44 ILE HD11 H 1 0.641 0.02 . 1 . . . . . . . . 5616 1 401 . 1 1 44 44 ILE HD12 H 1 0.641 0.02 . 1 . . . . . . . . 5616 1 402 . 1 1 44 44 ILE HD13 H 1 0.641 0.02 . 1 . . . . . . . . 5616 1 403 . 1 1 44 44 ILE CD1 C 13 10.982 0.02 . 1 . . . . . . . . 5616 1 404 . 1 1 45 45 SER N N 15 116.329 0.02 . 1 . . . . . . . . 5616 1 405 . 1 1 45 45 SER H H 1 8.348 0.02 . 1 . . . . . . . . 5616 1 406 . 1 1 45 45 SER CA C 13 57.909 0.02 . 1 . . . . . . . . 5616 1 407 . 1 1 45 45 SER HA H 1 4.227 0.02 . 1 . . . . . . . . 5616 1 408 . 1 1 45 45 SER CB C 13 60.981 0.02 . 1 . . . . . . . . 5616 1 409 . 1 1 45 45 SER HB2 H 1 3.946 0.001 . 1 . . . . . . . . 5616 1 410 . 1 1 45 45 SER HB3 H 1 3.855 0.003 . 1 . . . . . . . . 5616 1 411 . 1 1 46 46 GLN N N 15 121.270 0.02 . 1 . . . . . . . . 5616 1 412 . 1 1 46 46 GLN H H 1 7.938 0.02 . 1 . . . . . . . . 5616 1 413 . 1 1 46 46 GLN CA C 13 56.538 0.02 . 1 . . . . . . . . 5616 1 414 . 1 1 46 46 GLN HA H 1 3.997 0.001 . 1 . . . . . . . . 5616 1 415 . 1 1 46 46 GLN CB C 13 26.231 0.02 . 1 . . . . . . . . 5616 1 416 . 1 1 46 46 GLN HB2 H 1 2.140 0.001 . 1 . . . . . . . . 5616 1 417 . 1 1 46 46 GLN HB3 H 1 2.100 0.001 . 1 . . . . . . . . 5616 1 418 . 1 1 46 46 GLN CG C 13 31.539 0.02 . 1 . . . . . . . . 5616 1 419 . 1 1 46 46 GLN HG2 H 1 2.401 0.001 . 1 . . . . . . . . 5616 1 420 . 1 1 46 46 GLN HG3 H 1 2.339 0.02 . 1 . . . . . . . . 5616 1 421 . 1 1 46 46 GLN NE2 N 15 111.268 0.008 . 1 . . . . . . . . 5616 1 422 . 1 1 46 46 GLN HE21 H 1 7.424 0.02 . 1 . . . . . . . . 5616 1 423 . 1 1 46 46 GLN HE22 H 1 6.792 0.02 . 1 . . . . . . . . 5616 1 424 . 1 1 47 47 GLU N N 15 119.646 0.02 . 1 . . . . . . . . 5616 1 425 . 1 1 47 47 GLU H H 1 8.299 0.02 . 1 . . . . . . . . 5616 1 426 . 1 1 47 47 GLU CA C 13 57.629 0.02 . 1 . . . . . . . . 5616 1 427 . 1 1 47 47 GLU HA H 1 3.829 0.02 . 1 . . . . . . . . 5616 1 428 . 1 1 47 47 GLU CB C 13 27.208 0.02 . 1 . . . . . . . . 5616 1 429 . 1 1 47 47 GLU HB2 H 1 2.102 0.006 . 1 . . . . . . . . 5616 1 430 . 1 1 47 47 GLU HB3 H 1 1.825 0.02 . 1 . . . . . . . . 5616 1 431 . 1 1 47 47 GLU CG C 13 34.692 0.02 . 1 . . . . . . . . 5616 1 432 . 1 1 47 47 GLU HG2 H 1 2.333 0.002 . 1 . . . . . . . . 5616 1 433 . 1 1 47 47 GLU HG3 H 1 2.099 0.002 . 1 . . . . . . . . 5616 1 434 . 1 1 48 48 GLU N N 15 118.073 0.02 . 1 . . . . . . . . 5616 1 435 . 1 1 48 48 GLU H H 1 7.999 0.02 . 1 . . . . . . . . 5616 1 436 . 1 1 48 48 GLU CA C 13 57.301 0.02 . 1 . . . . . . . . 5616 1 437 . 1 1 48 48 GLU HA H 1 3.875 0.002 . 1 . . . . . . . . 5616 1 438 . 1 1 48 48 GLU CB C 13 27.070 0.02 . 1 . . . . . . . . 5616 1 439 . 1 1 48 48 GLU HB2 H 1 1.977 0.005 . 1 . . . . . . . . 5616 1 440 . 1 1 48 48 GLU HB3 H 1 2.120 0.02 . 1 . . . . . . . . 5616 1 441 . 1 1 48 48 GLU CG C 13 34.545 0.02 . 1 . . . . . . . . 5616 1 442 . 1 1 48 48 GLU HG2 H 1 2.396 0.02 . 1 . . . . . . . . 5616 1 443 . 1 1 48 48 GLU HG3 H 1 2.140 0.02 . 1 . . . . . . . . 5616 1 444 . 1 1 49 49 LEU N N 15 120.662 0.02 . 1 . . . . . . . . 5616 1 445 . 1 1 49 49 LEU H H 1 7.805 0.02 . 1 . . . . . . . . 5616 1 446 . 1 1 49 49 LEU CA C 13 55.693 0.02 . 1 . . . . . . . . 5616 1 447 . 1 1 49 49 LEU HA H 1 3.955 0.003 . 1 . . . . . . . . 5616 1 448 . 1 1 49 49 LEU CB C 13 39.444 0.02 . 1 . . . . . . . . 5616 1 449 . 1 1 49 49 LEU HB2 H 1 1.634 0.02 . 2 . . . . . . . . 5616 1 450 . 1 1 49 49 LEU CG C 13 24.602 0.02 . 1 . . . . . . . . 5616 1 451 . 1 1 49 49 LEU HG H 1 1.583 0.006 . 1 . . . . . . . . 5616 1 452 . 1 1 49 49 LEU HD11 H 1 0.799 0.02 . 1 . . . . . . . . 5616 1 453 . 1 1 49 49 LEU HD12 H 1 0.799 0.02 . 1 . . . . . . . . 5616 1 454 . 1 1 49 49 LEU HD13 H 1 0.799 0.02 . 1 . . . . . . . . 5616 1 455 . 1 1 49 49 LEU HD21 H 1 0.756 0.002 . 1 . . . . . . . . 5616 1 456 . 1 1 49 49 LEU HD22 H 1 0.756 0.002 . 1 . . . . . . . . 5616 1 457 . 1 1 49 49 LEU HD23 H 1 0.756 0.002 . 1 . . . . . . . . 5616 1 458 . 1 1 49 49 LEU CD1 C 13 22.153 0.02 . 1 . . . . . . . . 5616 1 459 . 1 1 49 49 LEU CD2 C 13 21.880 0.02 . 1 . . . . . . . . 5616 1 460 . 1 1 50 50 LEU N N 15 119.970 0.02 . 1 . . . . . . . . 5616 1 461 . 1 1 50 50 LEU H H 1 7.809 0.02 . 1 . . . . . . . . 5616 1 462 . 1 1 50 50 LEU CA C 13 55.253 0.02 . 1 . . . . . . . . 5616 1 463 . 1 1 50 50 LEU HA H 1 3.834 0.003 . 1 . . . . . . . . 5616 1 464 . 1 1 50 50 LEU CB C 13 39.444 0.02 . 1 . . . . . . . . 5616 1 465 . 1 1 50 50 LEU HB2 H 1 1.622 0.001 . 1 . . . . . . . . 5616 1 466 . 1 1 50 50 LEU HB3 H 1 1.326 0.02 . 1 . . . . . . . . 5616 1 467 . 1 1 50 50 LEU CG C 13 24.633 0.02 . 1 . . . . . . . . 5616 1 468 . 1 1 50 50 LEU HG H 1 1.484 0.007 . 1 . . . . . . . . 5616 1 469 . 1 1 50 50 LEU HD11 H 1 0.754 0.002 . 1 . . . . . . . . 5616 1 470 . 1 1 50 50 LEU HD12 H 1 0.754 0.002 . 1 . . . . . . . . 5616 1 471 . 1 1 50 50 LEU HD13 H 1 0.754 0.002 . 1 . . . . . . . . 5616 1 472 . 1 1 50 50 LEU CD1 C 13 22.657 0.02 . 4 . . . . . . . . 5616 1 473 . 1 1 50 50 LEU HD21 H 1 0.753 0.02 . 1 . . . . . . . . 5616 1 474 . 1 1 50 50 LEU HD22 H 1 0.753 0.02 . 1 . . . . . . . . 5616 1 475 . 1 1 50 50 LEU HD23 H 1 0.753 0.02 . 1 . . . . . . . . 5616 1 476 . 1 1 51 51 LEU N N 15 118.623 0.02 . 1 . . . . . . . . 5616 1 477 . 1 1 51 51 LEU H H 1 8.011 0.02 . 1 . . . . . . . . 5616 1 478 . 1 1 51 51 LEU CA C 13 56.104 0.02 . 1 . . . . . . . . 5616 1 479 . 1 1 51 51 LEU HA H 1 3.786 0.02 . 1 . . . . . . . . 5616 1 480 . 1 1 51 51 LEU CB C 13 39.205 0.02 . 1 . . . . . . . . 5616 1 481 . 1 1 51 51 LEU HB2 H 1 1.854 0.02 . 1 . . . . . . . . 5616 1 482 . 1 1 51 51 LEU HB3 H 1 1.439 0.02 . 1 . . . . . . . . 5616 1 483 . 1 1 51 51 LEU CG C 13 24.605 0.02 . 1 . . . . . . . . 5616 1 484 . 1 1 51 51 LEU HG H 1 1.765 0.007 . 1 . . . . . . . . 5616 1 485 . 1 1 51 51 LEU HD11 H 1 0.835 0.02 . 1 . . . . . . . . 5616 1 486 . 1 1 51 51 LEU HD12 H 1 0.835 0.02 . 1 . . . . . . . . 5616 1 487 . 1 1 51 51 LEU HD13 H 1 0.835 0.02 . 1 . . . . . . . . 5616 1 488 . 1 1 51 51 LEU HD21 H 1 0.656 0.02 . 1 . . . . . . . . 5616 1 489 . 1 1 51 51 LEU HD22 H 1 0.656 0.02 . 1 . . . . . . . . 5616 1 490 . 1 1 51 51 LEU HD23 H 1 0.656 0.02 . 1 . . . . . . . . 5616 1 491 . 1 1 51 51 LEU CD1 C 13 24.070 0.02 . 1 . . . . . . . . 5616 1 492 . 1 1 51 51 LEU CD2 C 13 21.641 0.02 . 1 . . . . . . . . 5616 1 493 . 1 1 52 52 ARG N N 15 118.730 0.02 . 1 . . . . . . . . 5616 1 494 . 1 1 52 52 ARG H H 1 7.867 0.02 . 1 . . . . . . . . 5616 1 495 . 1 1 52 52 ARG CA C 13 56.779 0.02 . 1 . . . . . . . . 5616 1 496 . 1 1 52 52 ARG HA H 1 4.143 0.001 . 1 . . . . . . . . 5616 1 497 . 1 1 52 52 ARG CB C 13 27.996 0.02 . 1 . . . . . . . . 5616 1 498 . 1 1 52 52 ARG HB2 H 1 1.965 0.001 . 1 . . . . . . . . 5616 1 499 . 1 1 52 52 ARG HB3 H 1 1.910 0.003 . 1 . . . . . . . . 5616 1 500 . 1 1 52 52 ARG CG C 13 24.721 0.02 . 1 . . . . . . . . 5616 1 501 . 1 1 52 52 ARG HG2 H 1 1.717 0.003 . 1 . . . . . . . . 5616 1 502 . 1 1 52 52 ARG HG3 H 1 1.631 0.02 . 1 . . . . . . . . 5616 1 503 . 1 1 52 52 ARG CD C 13 41.290 0.02 . 1 . . . . . . . . 5616 1 504 . 1 1 52 52 ARG HD2 H 1 3.138 0.02 . 1 . . . . . . . . 5616 1 505 . 1 1 52 52 ARG NE N 15 113.286 0.02 . 1 . . . . . . . . 5616 1 506 . 1 1 52 52 ARG HE H 1 7.348 0.02 . 1 . . . . . . . . 5616 1 507 . 1 1 53 53 GLU N N 15 119.112 0.02 . 1 . . . . . . . . 5616 1 508 . 1 1 53 53 GLU H H 1 8.471 0.02 . 1 . . . . . . . . 5616 1 509 . 1 1 53 53 GLU CA C 13 56.105 0.02 . 1 . . . . . . . . 5616 1 510 . 1 1 53 53 GLU HA H 1 4.008 0.02 . 1 . . . . . . . . 5616 1 511 . 1 1 53 53 GLU CB C 13 27.145 0.02 . 1 . . . . . . . . 5616 1 512 . 1 1 53 53 GLU HB2 H 1 1.955 0.004 . 1 . . . . . . . . 5616 1 513 . 1 1 53 53 GLU HB3 H 1 1.909 0.001 . 1 . . . . . . . . 5616 1 514 . 1 1 53 53 GLU CG C 13 34.184 0.02 . 1 . . . . . . . . 5616 1 515 . 1 1 53 53 GLU HG2 H 1 2.258 0.001 . 1 . . . . . . . . 5616 1 516 . 1 1 53 53 GLU HG3 H 1 2.159 0.004 . 1 . . . . . . . . 5616 1 517 . 1 1 54 54 ASN N N 15 114.095 0.02 . 1 . . . . . . . . 5616 1 518 . 1 1 54 54 ASN H H 1 7.304 0.02 . 1 . . . . . . . . 5616 1 519 . 1 1 54 54 ASN CA C 13 51.364 0.02 . 1 . . . . . . . . 5616 1 520 . 1 1 54 54 ASN HA H 1 4.636 0.02 . 1 . . . . . . . . 5616 1 521 . 1 1 54 54 ASN CB C 13 38.493 0.02 . 1 . . . . . . . . 5616 1 522 . 1 1 54 54 ASN HB2 H 1 2.579 0.02 . 1 . . . . . . . . 5616 1 523 . 1 1 54 54 ASN HB3 H 1 2.050 0.02 . 1 . . . . . . . . 5616 1 524 . 1 1 54 54 ASN ND2 N 15 115.751 0.019 . 1 . . . . . . . . 5616 1 525 . 1 1 54 54 ASN HD21 H 1 7.252 0.02 . 1 . . . . . . . . 5616 1 526 . 1 1 54 54 ASN HD22 H 1 7.095 0.02 . 1 . . . . . . . . 5616 1 527 . 1 1 55 55 GLY N N 15 107.870 0.02 . 1 . . . . . . . . 5616 1 528 . 1 1 55 55 GLY H H 1 7.738 0.02 . 1 . . . . . . . . 5616 1 529 . 1 1 55 55 GLY CA C 13 43.929 0.02 . 1 . . . . . . . . 5616 1 530 . 1 1 55 55 GLY HA2 H 1 4.066 0.02 . 1 . . . . . . . . 5616 1 531 . 1 1 55 55 GLY HA3 H 1 3.731 0.02 . 1 . . . . . . . . 5616 1 532 . 1 1 56 56 TRP N N 15 118.134 0.02 . 1 . . . . . . . . 5616 1 533 . 1 1 56 56 TRP H H 1 8.136 0.02 . 1 . . . . . . . . 5616 1 534 . 1 1 56 56 TRP CA C 13 54.508 0.02 . 1 . . . . . . . . 5616 1 535 . 1 1 56 56 TRP HA H 1 4.820 0.02 . 1 . . . . . . . . 5616 1 536 . 1 1 56 56 TRP CB C 13 30.388 0.02 . 1 . . . . . . . . 5616 1 537 . 1 1 56 56 TRP HB2 H 1 3.048 0.02 . 1 . . . . . . . . 5616 1 538 . 1 1 56 56 TRP HB3 H 1 2.869 0.02 . 1 . . . . . . . . 5616 1 539 . 1 1 56 56 TRP CD1 C 13 124.103 0.02 . 1 . . . . . . . . 5616 1 540 . 1 1 56 56 TRP CE3 C 13 117.114 0.02 . 1 . . . . . . . . 5616 1 541 . 1 1 56 56 TRP NE1 N 15 129.623 0.02 . 1 . . . . . . . . 5616 1 542 . 1 1 56 56 TRP HD1 H 1 7.153 0.02 . 1 . . . . . . . . 5616 1 543 . 1 1 56 56 TRP HE3 H 1 7.245 0.007 . 1 . . . . . . . . 5616 1 544 . 1 1 56 56 TRP CZ3 C 13 119.943 0.02 . 1 . . . . . . . . 5616 1 545 . 1 1 56 56 TRP CZ2 C 13 111.918 0.02 . 1 . . . . . . . . 5616 1 546 . 1 1 56 56 TRP HE1 H 1 10.726 0.02 . 1 . . . . . . . . 5616 1 547 . 1 1 56 56 TRP HZ3 H 1 6.669 0.02 . 1 . . . . . . . . 5616 1 548 . 1 1 56 56 TRP CH2 C 13 122.014 0.02 . 1 . . . . . . . . 5616 1 549 . 1 1 56 56 TRP HZ2 H 1 7.385 0.02 . 1 . . . . . . . . 5616 1 550 . 1 1 56 56 TRP HH2 H 1 6.785 0.02 . 1 . . . . . . . . 5616 1 551 . 1 1 57 57 LYS N N 15 119.276 0.02 . 1 . . . . . . . . 5616 1 552 . 1 1 57 57 LYS H H 1 9.152 0.02 . 1 . . . . . . . . 5616 1 553 . 1 1 57 57 LYS CA C 13 52.413 0.02 . 1 . . . . . . . . 5616 1 554 . 1 1 57 57 LYS HA H 1 4.555 0.02 . 1 . . . . . . . . 5616 1 555 . 1 1 57 57 LYS CB C 13 33.910 0.02 . 1 . . . . . . . . 5616 1 556 . 1 1 57 57 LYS HB2 H 1 1.620 0.02 . 1 . . . . . . . . 5616 1 557 . 1 1 57 57 LYS HB3 H 1 1.112 0.004 . 1 . . . . . . . . 5616 1 558 . 1 1 57 57 LYS CG C 13 22.577 0.02 . 1 . . . . . . . . 5616 1 559 . 1 1 57 57 LYS HG2 H 1 1.105 0.02 . 1 . . . . . . . . 5616 1 560 . 1 1 57 57 LYS HG3 H 1 1.209 0.004 . 1 . . . . . . . . 5616 1 561 . 1 1 57 57 LYS CD C 13 26.539 0.02 . 1 . . . . . . . . 5616 1 562 . 1 1 57 57 LYS HD2 H 1 1.522 0.02 . 2 . . . . . . . . 5616 1 563 . 1 1 57 57 LYS CE C 13 39.223 0.02 . 1 . . . . . . . . 5616 1 564 . 1 1 57 57 LYS HE2 H 1 2.883 0.02 . 1 . . . . . . . . 5616 1 565 . 1 1 57 57 LYS HE3 H 1 2.886 0.02 . 1 . . . . . . . . 5616 1 566 . 1 1 58 58 ALA N N 15 123.108 0.02 . 1 . . . . . . . . 5616 1 567 . 1 1 58 58 ALA H H 1 8.484 0.02 . 1 . . . . . . . . 5616 1 568 . 1 1 58 58 ALA CA C 13 48.584 0.02 . 1 . . . . . . . . 5616 1 569 . 1 1 58 58 ALA HA H 1 4.820 0.02 . 1 . . . . . . . . 5616 1 570 . 1 1 58 58 ALA HB1 H 1 1.195 0.005 . 1 . . . . . . . . 5616 1 571 . 1 1 58 58 ALA HB2 H 1 1.195 0.005 . 1 . . . . . . . . 5616 1 572 . 1 1 58 58 ALA HB3 H 1 1.195 0.005 . 1 . . . . . . . . 5616 1 573 . 1 1 58 58 ALA CB C 13 18.626 0.02 . 1 . . . . . . . . 5616 1 574 . 1 1 59 59 ALA N N 15 125.767 0.02 . 1 . . . . . . . . 5616 1 575 . 1 1 59 59 ALA H H 1 8.637 0.02 . 1 . . . . . . . . 5616 1 576 . 1 1 59 59 ALA CA C 13 48.282 0.02 . 1 . . . . . . . . 5616 1 577 . 1 1 59 59 ALA HA H 1 4.302 0.003 . 1 . . . . . . . . 5616 1 578 . 1 1 59 59 ALA HB1 H 1 0.615 0.006 . 1 . . . . . . . . 5616 1 579 . 1 1 59 59 ALA HB2 H 1 0.615 0.006 . 1 . . . . . . . . 5616 1 580 . 1 1 59 59 ALA HB3 H 1 0.615 0.006 . 1 . . . . . . . . 5616 1 581 . 1 1 59 59 ALA CB C 13 19.607 0.02 . 1 . . . . . . . . 5616 1 582 . 1 1 60 60 LYS N N 15 116.213 0.02 . 1 . . . . . . . . 5616 1 583 . 1 1 60 60 LYS H H 1 7.871 0.02 . 1 . . . . . . . . 5616 1 584 . 1 1 60 60 LYS CA C 13 52.157 0.02 . 1 . . . . . . . . 5616 1 585 . 1 1 60 60 LYS HA H 1 5.452 0.02 . 1 . . . . . . . . 5616 1 586 . 1 1 60 60 LYS CB C 13 34.153 0.02 . 1 . . . . . . . . 5616 1 587 . 1 1 60 60 LYS HB2 H 1 1.596 0.02 . 1 . . . . . . . . 5616 1 588 . 1 1 60 60 LYS HB3 H 1 1.476 0.02 . 1 . . . . . . . . 5616 1 589 . 1 1 60 60 LYS CG C 13 22.912 0.02 . 1 . . . . . . . . 5616 1 590 . 1 1 60 60 LYS HG2 H 1 1.232 0.02 . 2 . . . . . . . . 5616 1 591 . 1 1 60 60 LYS CD C 13 27.166 0.02 . 1 . . . . . . . . 5616 1 592 . 1 1 60 60 LYS HD2 H 1 1.492 0.02 . 2 . . . . . . . . 5616 1 593 . 1 1 60 60 LYS CE C 13 39.597 0.02 . 1 . . . . . . . . 5616 1 594 . 1 1 60 60 LYS HE2 H 1 2.807 0.02 . 2 . . . . . . . . 5616 1 595 . 1 1 61 61 THR N N 15 114.538 0.02 . 1 . . . . . . . . 5616 1 596 . 1 1 61 61 THR H H 1 9.318 0.02 . 1 . . . . . . . . 5616 1 597 . 1 1 61 61 THR CA C 13 58.917 0.02 . 1 . . . . . . . . 5616 1 598 . 1 1 61 61 THR HA H 1 4.564 0.008 . 1 . . . . . . . . 5616 1 599 . 1 1 61 61 THR CB C 13 68.973 0.02 . 1 . . . . . . . . 5616 1 600 . 1 1 61 61 THR HB H 1 4.752 0.002 . 1 . . . . . . . . 5616 1 601 . 1 1 61 61 THR HG21 H 1 1.459 0.004 . 1 . . . . . . . . 5616 1 602 . 1 1 61 61 THR HG22 H 1 1.459 0.004 . 1 . . . . . . . . 5616 1 603 . 1 1 61 61 THR HG23 H 1 1.459 0.004 . 1 . . . . . . . . 5616 1 604 . 1 1 61 61 THR CG2 C 13 20.742 0.02 . 1 . . . . . . . . 5616 1 605 . 1 1 62 62 ALA N N 15 123.994 0.02 . 1 . . . . . . . . 5616 1 606 . 1 1 62 62 ALA H H 1 9.110 0.02 . 1 . . . . . . . . 5616 1 607 . 1 1 62 62 ALA CA C 13 52.671 0.02 . 1 . . . . . . . . 5616 1 608 . 1 1 62 62 ALA HA H 1 4.095 0.02 . 1 . . . . . . . . 5616 1 609 . 1 1 62 62 ALA HB1 H 1 1.410 0.02 . 1 . . . . . . . . 5616 1 610 . 1 1 62 62 ALA HB2 H 1 1.410 0.02 . 1 . . . . . . . . 5616 1 611 . 1 1 62 62 ALA HB3 H 1 1.410 0.02 . 1 . . . . . . . . 5616 1 612 . 1 1 62 62 ALA CB C 13 15.775 0.02 . 1 . . . . . . . . 5616 1 613 . 1 1 63 63 ASP N N 15 111.612 0.02 . 1 . . . . . . . . 5616 1 614 . 1 1 63 63 ASP H H 1 7.978 0.02 . 1 . . . . . . . . 5616 1 615 . 1 1 63 63 ASP CA C 13 50.575 0.02 . 1 . . . . . . . . 5616 1 616 . 1 1 63 63 ASP HA H 1 4.615 0.005 . 1 . . . . . . . . 5616 1 617 . 1 1 63 63 ASP CB C 13 37.405 0.02 . 1 . . . . . . . . 5616 1 618 . 1 1 63 63 ASP HB2 H 1 2.754 0.02 . 1 . . . . . . . . 5616 1 619 . 1 1 63 63 ASP HB3 H 1 2.584 0.02 . 1 . . . . . . . . 5616 1 620 . 1 1 64 64 GLY N N 15 107.564 0.02 . 1 . . . . . . . . 5616 1 621 . 1 1 64 64 GLY H H 1 7.903 0.02 . 1 . . . . . . . . 5616 1 622 . 1 1 64 64 GLY CA C 13 43.516 0.02 . 1 . . . . . . . . 5616 1 623 . 1 1 64 64 GLY HA2 H 1 4.120 0.02 . 1 . . . . . . . . 5616 1 624 . 1 1 64 64 GLY HA3 H 1 3.497 0.02 . 1 . . . . . . . . 5616 1 625 . 1 1 65 65 LYS N N 15 121.182 0.02 . 1 . . . . . . . . 5616 1 626 . 1 1 65 65 LYS H H 1 7.800 0.02 . 1 . . . . . . . . 5616 1 627 . 1 1 65 65 LYS CA C 13 53.714 0.02 . 1 . . . . . . . . 5616 1 628 . 1 1 65 65 LYS HA H 1 4.429 0.02 . 1 . . . . . . . . 5616 1 629 . 1 1 65 65 LYS CB C 13 30.733 0.02 . 1 . . . . . . . . 5616 1 630 . 1 1 65 65 LYS HB2 H 1 1.949 0.005 . 2 . . . . . . . . 5616 1 631 . 1 1 65 65 LYS CG C 13 22.871 0.02 . 1 . . . . . . . . 5616 1 632 . 1 1 65 65 LYS HG2 H 1 1.343 0.02 . 2 . . . . . . . . 5616 1 633 . 1 1 65 65 LYS CD C 13 26.798 0.02 . 1 . . . . . . . . 5616 1 634 . 1 1 65 65 LYS HD2 H 1 1.503 0.003 . 1 . . . . . . . . 5616 1 635 . 1 1 65 65 LYS HD3 H 1 1.444 0.02 . 1 . . . . . . . . 5616 1 636 . 1 1 65 65 LYS CE C 13 39.223 0.02 . 1 . . . . . . . . 5616 1 637 . 1 1 65 65 LYS HE2 H 1 2.743 0.02 . 1 . . . . . . . . 5616 1 638 . 1 1 65 65 LYS HE3 H 1 2.744 0.02 . 1 . . . . . . . . 5616 1 639 . 1 1 66 66 VAL N N 15 124.918 0.02 . 1 . . . . . . . . 5616 1 640 . 1 1 66 66 VAL H H 1 8.435 0.02 . 1 . . . . . . . . 5616 1 641 . 1 1 66 66 VAL CA C 13 60.026 0.02 . 1 . . . . . . . . 5616 1 642 . 1 1 66 66 VAL HA H 1 4.557 0.02 . 1 . . . . . . . . 5616 1 643 . 1 1 66 66 VAL CB C 13 30.642 0.02 . 1 . . . . . . . . 5616 1 644 . 1 1 66 66 VAL HB H 1 1.843 0.02 . 1 . . . . . . . . 5616 1 645 . 1 1 66 66 VAL HG11 H 1 0.904 0.005 . 1 . . . . . . . . 5616 1 646 . 1 1 66 66 VAL HG12 H 1 0.904 0.005 . 1 . . . . . . . . 5616 1 647 . 1 1 66 66 VAL HG13 H 1 0.904 0.005 . 1 . . . . . . . . 5616 1 648 . 1 1 66 66 VAL HG21 H 1 0.613 0.02 . 1 . . . . . . . . 5616 1 649 . 1 1 66 66 VAL HG22 H 1 0.613 0.02 . 1 . . . . . . . . 5616 1 650 . 1 1 66 66 VAL HG23 H 1 0.613 0.02 . 1 . . . . . . . . 5616 1 651 . 1 1 66 66 VAL CG1 C 13 19.822 0.02 . 1 . . . . . . . . 5616 1 652 . 1 1 66 66 VAL CG2 C 13 18.455 0.02 . 1 . . . . . . . . 5616 1 653 . 1 1 67 67 TYR N N 15 122.299 0.02 . 1 . . . . . . . . 5616 1 654 . 1 1 67 67 TYR H H 1 8.238 0.02 . 1 . . . . . . . . 5616 1 655 . 1 1 67 67 TYR CA C 13 52.780 0.02 . 1 . . . . . . . . 5616 1 656 . 1 1 67 67 TYR HA H 1 4.482 0.001 . 1 . . . . . . . . 5616 1 657 . 1 1 67 67 TYR CB C 13 37.158 0.02 . 1 . . . . . . . . 5616 1 658 . 1 1 67 67 TYR HB2 H 1 2.395 0.005 . 1 . . . . . . . . 5616 1 659 . 1 1 67 67 TYR HB3 H 1 2.213 0.004 . 1 . . . . . . . . 5616 1 660 . 1 1 67 67 TYR CD1 C 13 131.092 0.02 . 1 . . . . . . . . 5616 1 661 . 1 1 67 67 TYR HD1 H 1 6.682 0.02 . 1 . . . . . . . . 5616 1 662 . 1 1 67 67 TYR CE1 C 13 117.922 0.02 . 1 . . . . . . . . 5616 1 663 . 1 1 67 67 TYR HE1 H 1 7.549 0.02 . 1 . . . . . . . . 5616 1 664 . 1 1 68 68 TYR N N 15 116.065 0.02 . 1 . . . . . . . . 5616 1 665 . 1 1 68 68 TYR H H 1 8.653 0.02 . 1 . . . . . . . . 5616 1 666 . 1 1 68 68 TYR CA C 13 53.732 0.02 . 1 . . . . . . . . 5616 1 667 . 1 1 68 68 TYR HA H 1 5.434 0.02 . 1 . . . . . . . . 5616 1 668 . 1 1 68 68 TYR CB C 13 38.875 0.02 . 1 . . . . . . . . 5616 1 669 . 1 1 68 68 TYR HB2 H 1 3.042 0.002 . 1 . . . . . . . . 5616 1 670 . 1 1 68 68 TYR HB3 H 1 2.657 0.02 . 1 . . . . . . . . 5616 1 671 . 1 1 68 68 TYR CD1 C 13 130.505 0.02 . 1 . . . . . . . . 5616 1 672 . 1 1 68 68 TYR HD1 H 1 6.667 0.02 . 1 . . . . . . . . 5616 1 673 . 1 1 68 68 TYR CE1 C 13 115.043 0.02 . 1 . . . . . . . . 5616 1 674 . 1 1 68 68 TYR HE1 H 1 6.516 0.02 . 1 . . . . . . . . 5616 1 675 . 1 1 69 69 TYR N N 15 120.893 0.02 . 1 . . . . . . . . 5616 1 676 . 1 1 69 69 TYR H H 1 9.452 0.02 . 1 . . . . . . . . 5616 1 677 . 1 1 69 69 TYR CA C 13 53.397 0.02 . 1 . . . . . . . . 5616 1 678 . 1 1 69 69 TYR HA H 1 5.472 0.02 . 1 . . . . . . . . 5616 1 679 . 1 1 69 69 TYR CB C 13 39.816 0.02 . 1 . . . . . . . . 5616 1 680 . 1 1 69 69 TYR HB2 H 1 2.751 0.002 . 1 . . . . . . . . 5616 1 681 . 1 1 69 69 TYR CD1 C 13 131.610 0.02 . 1 . . . . . . . . 5616 1 682 . 1 1 69 69 TYR HD1 H 1 6.661 0.02 . 1 . . . . . . . . 5616 1 683 . 1 1 69 69 TYR CE1 C 13 115.284 0.02 . 1 . . . . . . . . 5616 1 684 . 1 1 69 69 TYR HE1 H 1 6.426 0.02 . 1 . . . . . . . . 5616 1 685 . 1 1 70 70 ASN N N 15 122.090 0.02 . 1 . . . . . . . . 5616 1 686 . 1 1 70 70 ASN H H 1 7.622 0.02 . 1 . . . . . . . . 5616 1 687 . 1 1 70 70 ASN CA C 13 45.797 0.02 . 1 . . . . . . . . 5616 1 688 . 1 1 70 70 ASN HA H 1 4.637 0.02 . 1 . . . . . . . . 5616 1 689 . 1 1 70 70 ASN CB C 13 36.423 0.02 . 1 . . . . . . . . 5616 1 690 . 1 1 70 70 ASN HB2 H 1 2.286 0.02 . 1 . . . . . . . . 5616 1 691 . 1 1 70 70 ASN HB3 H 1 -0.194 0.005 . 1 . . . . . . . . 5616 1 692 . 1 1 70 70 ASN ND2 N 15 111.427 0.001 . 1 . . . . . . . . 5616 1 693 . 1 1 70 70 ASN HD21 H 1 6.901 0.02 . 1 . . . . . . . . 5616 1 694 . 1 1 70 70 ASN HD22 H 1 5.291 0.02 . 1 . . . . . . . . 5616 1 695 . 1 1 71 71 PRO CD C 13 48.040 0.02 . 1 . . . . . . . . 5616 1 696 . 1 1 71 71 PRO CA C 13 61.501 0.02 . 1 . . . . . . . . 5616 1 697 . 1 1 71 71 PRO HA H 1 4.135 0.02 . 1 . . . . . . . . 5616 1 698 . 1 1 71 71 PRO CB C 13 30.041 0.02 . 1 . . . . . . . . 5616 1 699 . 1 1 71 71 PRO HB2 H 1 2.280 0.02 . 1 . . . . . . . . 5616 1 700 . 1 1 71 71 PRO HB3 H 1 1.964 0.02 . 1 . . . . . . . . 5616 1 701 . 1 1 71 71 PRO CG C 13 24.700 0.02 . 1 . . . . . . . . 5616 1 702 . 1 1 71 71 PRO HG2 H 1 1.731 0.02 . 1 . . . . . . . . 5616 1 703 . 1 1 71 71 PRO HG3 H 1 1.887 0.005 . 1 . . . . . . . . 5616 1 704 . 1 1 71 71 PRO HD2 H 1 3.941 0.02 . 1 . . . . . . . . 5616 1 705 . 1 1 71 71 PRO HD3 H 1 3.284 0.02 . 1 . . . . . . . . 5616 1 706 . 1 1 72 72 THR N N 15 113.806 0.02 . 1 . . . . . . . . 5616 1 707 . 1 1 72 72 THR H H 1 8.128 0.02 . 1 . . . . . . . . 5616 1 708 . 1 1 72 72 THR CA C 13 63.014 0.02 . 1 . . . . . . . . 5616 1 709 . 1 1 72 72 THR HA H 1 3.988 0.005 . 1 . . . . . . . . 5616 1 710 . 1 1 72 72 THR CB C 13 65.870 0.02 . 1 . . . . . . . . 5616 1 711 . 1 1 72 72 THR HB H 1 4.194 0.005 . 1 . . . . . . . . 5616 1 712 . 1 1 72 72 THR HG21 H 1 1.088 0.007 . 1 . . . . . . . . 5616 1 713 . 1 1 72 72 THR HG22 H 1 1.088 0.007 . 1 . . . . . . . . 5616 1 714 . 1 1 72 72 THR HG23 H 1 1.088 0.007 . 1 . . . . . . . . 5616 1 715 . 1 1 72 72 THR CG2 C 13 19.347 0.02 . 1 . . . . . . . . 5616 1 716 . 1 1 73 73 THR N N 15 110.543 0.02 . 1 . . . . . . . . 5616 1 717 . 1 1 73 73 THR H H 1 7.224 0.02 . 1 . . . . . . . . 5616 1 718 . 1 1 73 73 THR CA C 13 59.443 0.02 . 1 . . . . . . . . 5616 1 719 . 1 1 73 73 THR HA H 1 4.112 0.02 . 1 . . . . . . . . 5616 1 720 . 1 1 73 73 THR CB C 13 67.127 0.02 . 1 . . . . . . . . 5616 1 721 . 1 1 73 73 THR HB H 1 4.187 0.003 . 1 . . . . . . . . 5616 1 722 . 1 1 73 73 THR HG21 H 1 0.968 0.02 . 1 . . . . . . . . 5616 1 723 . 1 1 73 73 THR HG22 H 1 0.968 0.02 . 1 . . . . . . . . 5616 1 724 . 1 1 73 73 THR HG23 H 1 0.968 0.02 . 1 . . . . . . . . 5616 1 725 . 1 1 73 73 THR CG2 C 13 19.080 0.02 . 1 . . . . . . . . 5616 1 726 . 1 1 74 74 ARG N N 15 115.424 0.02 . 1 . . . . . . . . 5616 1 727 . 1 1 74 74 ARG H H 1 8.203 0.02 . 1 . . . . . . . . 5616 1 728 . 1 1 74 74 ARG CA C 13 55.338 0.02 . 1 . . . . . . . . 5616 1 729 . 1 1 74 74 ARG HA H 1 3.657 0.02 . 1 . . . . . . . . 5616 1 730 . 1 1 74 74 ARG CB C 13 24.006 0.02 . 1 . . . . . . . . 5616 1 731 . 1 1 74 74 ARG HB2 H 1 2.096 0.02 . 1 . . . . . . . . 5616 1 732 . 1 1 74 74 ARG HB3 H 1 1.959 0.02 . 1 . . . . . . . . 5616 1 733 . 1 1 74 74 ARG CG C 13 25.261 0.02 . 1 . . . . . . . . 5616 1 734 . 1 1 74 74 ARG HG2 H 1 1.405 0.02 . 2 . . . . . . . . 5616 1 735 . 1 1 74 74 ARG CD C 13 40.783 0.02 . 1 . . . . . . . . 5616 1 736 . 1 1 74 74 ARG HD2 H 1 3.058 0.004 . 1 . . . . . . . . 5616 1 737 . 1 1 74 74 ARG HD3 H 1 3.054 0.02 . 1 . . . . . . . . 5616 1 738 . 1 1 74 74 ARG NE N 15 113.748 0.02 . 1 . . . . . . . . 5616 1 739 . 1 1 74 74 ARG HE H 1 7.020 0.02 . 1 . . . . . . . . 5616 1 740 . 1 1 75 75 GLU N N 15 119.845 0.02 . 1 . . . . . . . . 5616 1 741 . 1 1 75 75 GLU H H 1 7.312 0.02 . 1 . . . . . . . . 5616 1 742 . 1 1 75 75 GLU CA C 13 54.501 0.02 . 1 . . . . . . . . 5616 1 743 . 1 1 75 75 GLU HA H 1 4.214 0.02 . 1 . . . . . . . . 5616 1 744 . 1 1 75 75 GLU CB C 13 30.215 0.02 . 1 . . . . . . . . 5616 1 745 . 1 1 75 75 GLU HB2 H 1 1.963 0.002 . 1 . . . . . . . . 5616 1 746 . 1 1 75 75 GLU HB3 H 1 1.553 0.002 . 1 . . . . . . . . 5616 1 747 . 1 1 75 75 GLU CG C 13 34.830 0.02 . 1 . . . . . . . . 5616 1 748 . 1 1 75 75 GLU HG2 H 1 2.206 0.02 . 1 . . . . . . . . 5616 1 749 . 1 1 75 75 GLU HG3 H 1 1.550 0.005 . 1 . . . . . . . . 5616 1 750 . 1 1 76 76 THR N N 15 112.406 0.02 . 1 . . . . . . . . 5616 1 751 . 1 1 76 76 THR H H 1 8.205 0.02 . 1 . . . . . . . . 5616 1 752 . 1 1 76 76 THR CA C 13 58.186 0.02 . 1 . . . . . . . . 5616 1 753 . 1 1 76 76 THR HA H 1 5.407 0.006 . 1 . . . . . . . . 5616 1 754 . 1 1 76 76 THR CB C 13 69.699 0.02 . 1 . . . . . . . . 5616 1 755 . 1 1 76 76 THR HB H 1 3.902 0.003 . 1 . . . . . . . . 5616 1 756 . 1 1 76 76 THR HG21 H 1 0.934 0.02 . 1 . . . . . . . . 5616 1 757 . 1 1 76 76 THR HG22 H 1 0.934 0.02 . 1 . . . . . . . . 5616 1 758 . 1 1 76 76 THR HG23 H 1 0.934 0.02 . 1 . . . . . . . . 5616 1 759 . 1 1 76 76 THR CG2 C 13 19.200 0.02 . 1 . . . . . . . . 5616 1 760 . 1 1 77 77 SER N N 15 116.136 0.02 . 1 . . . . . . . . 5616 1 761 . 1 1 77 77 SER H H 1 9.318 0.02 . 1 . . . . . . . . 5616 1 762 . 1 1 77 77 SER CA C 13 54.765 0.02 . 1 . . . . . . . . 5616 1 763 . 1 1 77 77 SER HA H 1 4.718 0.003 . 1 . . . . . . . . 5616 1 764 . 1 1 77 77 SER CB C 13 62.814 0.02 . 1 . . . . . . . . 5616 1 765 . 1 1 77 77 SER HB2 H 1 3.744 0.002 . 1 . . . . . . . . 5616 1 766 . 1 1 77 77 SER HB3 H 1 3.628 0.02 . 1 . . . . . . . . 5616 1 767 . 1 1 78 78 TRP N N 15 126.228 0.02 . 1 . . . . . . . . 5616 1 768 . 1 1 78 78 TRP H H 1 9.011 0.02 . 1 . . . . . . . . 5616 1 769 . 1 1 78 78 TRP CA C 13 56.513 0.02 . 1 . . . . . . . . 5616 1 770 . 1 1 78 78 TRP HA H 1 4.936 0.02 . 1 . . . . . . . . 5616 1 771 . 1 1 78 78 TRP CB C 13 27.541 0.02 . 1 . . . . . . . . 5616 1 772 . 1 1 78 78 TRP HB2 H 1 3.639 0.002 . 1 . . . . . . . . 5616 1 773 . 1 1 78 78 TRP HB3 H 1 3.111 0.02 . 1 . . . . . . . . 5616 1 774 . 1 1 78 78 TRP CD1 C 13 125.139 0.02 . 1 . . . . . . . . 5616 1 775 . 1 1 78 78 TRP CE3 C 13 118.390 0.02 . 1 . . . . . . . . 5616 1 776 . 1 1 78 78 TRP NE1 N 15 128.324 0.02 . 1 . . . . . . . . 5616 1 777 . 1 1 78 78 TRP HD1 H 1 7.314 0.007 . 1 . . . . . . . . 5616 1 778 . 1 1 78 78 TRP HE3 H 1 8.027 0.02 . 1 . . . . . . . . 5616 1 779 . 1 1 78 78 TRP CZ3 C 13 119.943 0.02 . 1 . . . . . . . . 5616 1 780 . 1 1 78 78 TRP CZ2 C 13 112.177 0.02 . 1 . . . . . . . . 5616 1 781 . 1 1 78 78 TRP HE1 H 1 10.041 0.02 . 1 . . . . . . . . 5616 1 782 . 1 1 78 78 TRP HZ3 H 1 6.809 0.02 . 1 . . . . . . . . 5616 1 783 . 1 1 78 78 TRP CH2 C 13 122.014 0.02 . 1 . . . . . . . . 5616 1 784 . 1 1 78 78 TRP HZ2 H 1 7.224 0.02 . 1 . . . . . . . . 5616 1 785 . 1 1 78 78 TRP HH2 H 1 6.920 0.02 . 1 . . . . . . . . 5616 1 786 . 1 1 79 79 THR N N 15 108.466 0.02 . 1 . . . . . . . . 5616 1 787 . 1 1 79 79 THR H H 1 7.702 0.02 . 1 . . . . . . . . 5616 1 788 . 1 1 79 79 THR CA C 13 56.660 0.02 . 1 . . . . . . . . 5616 1 789 . 1 1 79 79 THR HA H 1 4.646 0.001 . 1 . . . . . . . . 5616 1 790 . 1 1 79 79 THR CB C 13 68.468 0.02 . 1 . . . . . . . . 5616 1 791 . 1 1 79 79 THR HB H 1 4.018 0.02 . 1 . . . . . . . . 5616 1 792 . 1 1 79 79 THR HG21 H 1 1.107 0.002 . 1 . . . . . . . . 5616 1 793 . 1 1 79 79 THR HG22 H 1 1.107 0.002 . 1 . . . . . . . . 5616 1 794 . 1 1 79 79 THR HG23 H 1 1.107 0.002 . 1 . . . . . . . . 5616 1 795 . 1 1 79 79 THR CG2 C 13 19.333 0.02 . 1 . . . . . . . . 5616 1 796 . 1 1 80 80 ILE N N 15 125.939 0.02 . 1 . . . . . . . . 5616 1 797 . 1 1 80 80 ILE H H 1 8.414 0.02 . 1 . . . . . . . . 5616 1 798 . 1 1 80 80 ILE CA C 13 57.322 0.02 . 1 . . . . . . . . 5616 1 799 . 1 1 80 80 ILE HA H 1 2.940 0.02 . 1 . . . . . . . . 5616 1 800 . 1 1 80 80 ILE CB C 13 35.504 0.02 . 1 . . . . . . . . 5616 1 801 . 1 1 80 80 ILE HB H 1 1.277 0.02 . 1 . . . . . . . . 5616 1 802 . 1 1 80 80 ILE HG21 H 1 0.506 0.02 . 1 . . . . . . . . 5616 1 803 . 1 1 80 80 ILE HG22 H 1 0.506 0.02 . 1 . . . . . . . . 5616 1 804 . 1 1 80 80 ILE HG23 H 1 0.506 0.02 . 1 . . . . . . . . 5616 1 805 . 1 1 80 80 ILE CG2 C 13 13.633 0.02 . 1 . . . . . . . . 5616 1 806 . 1 1 80 80 ILE CG1 C 13 26.025 0.02 . 1 . . . . . . . . 5616 1 807 . 1 1 80 80 ILE HG12 H 1 0.912 0.027 . 1 . . . . . . . . 5616 1 808 . 1 1 80 80 ILE HG13 H 1 0.449 0.023 . 1 . . . . . . . . 5616 1 809 . 1 1 80 80 ILE HD11 H 1 0.495 0.022 . 1 . . . . . . . . 5616 1 810 . 1 1 80 80 ILE HD12 H 1 0.495 0.022 . 1 . . . . . . . . 5616 1 811 . 1 1 80 80 ILE HD13 H 1 0.495 0.022 . 1 . . . . . . . . 5616 1 812 . 1 1 80 80 ILE CD1 C 13 10.437 0.02 . 1 . . . . . . . . 5616 1 813 . 1 1 81 81 PRO CD C 13 48.023 0.02 . 1 . . . . . . . . 5616 1 814 . 1 1 81 81 PRO CA C 13 59.762 0.02 . 1 . . . . . . . . 5616 1 815 . 1 1 81 81 PRO HA H 1 3.595 0.02 . 1 . . . . . . . . 5616 1 816 . 1 1 81 81 PRO CB C 13 28.855 0.02 . 1 . . . . . . . . 5616 1 817 . 1 1 81 81 PRO HB2 H 1 1.120 0.02 . 1 . . . . . . . . 5616 1 818 . 1 1 81 81 PRO HB3 H 1 0.113 0.02 . 1 . . . . . . . . 5616 1 819 . 1 1 81 81 PRO CG C 13 23.458 0.02 . 1 . . . . . . . . 5616 1 820 . 1 1 81 81 PRO HG2 H 1 0.215 0.02 . 1 . . . . . . . . 5616 1 821 . 1 1 81 81 PRO HG3 H 1 -0.177 0.02 . 1 . . . . . . . . 5616 1 822 . 1 1 81 81 PRO HD2 H 1 2.850 0.02 . 1 . . . . . . . . 5616 1 823 . 1 1 81 81 PRO HD3 H 1 2.198 0.022 . 1 . . . . . . . . 5616 1 824 . 1 1 82 82 ALA N N 15 121.644 0.02 . 1 . . . . . . . . 5616 1 825 . 1 1 82 82 ALA H H 1 7.608 0.02 . 1 . . . . . . . . 5616 1 826 . 1 1 82 82 ALA CA C 13 48.680 0.02 . 1 . . . . . . . . 5616 1 827 . 1 1 82 82 ALA HA H 1 3.958 0.021 . 1 . . . . . . . . 5616 1 828 . 1 1 82 82 ALA HB1 H 1 1.060 0.022 . 1 . . . . . . . . 5616 1 829 . 1 1 82 82 ALA HB2 H 1 1.060 0.022 . 1 . . . . . . . . 5616 1 830 . 1 1 82 82 ALA HB3 H 1 1.060 0.022 . 1 . . . . . . . . 5616 1 831 . 1 1 82 82 ALA CB C 13 15.913 0.02 . 1 . . . . . . . . 5616 1 832 . 1 1 83 83 PHE N N 15 119.796 0.02 . 1 . . . . . . . . 5616 1 833 . 1 1 83 83 PHE H H 1 7.696 0.02 . 1 . . . . . . . . 5616 1 834 . 1 1 83 83 PHE CA C 13 54.957 0.02 . 1 . . . . . . . . 5616 1 835 . 1 1 83 83 PHE HA H 1 4.444 0.02 . 1 . . . . . . . . 5616 1 836 . 1 1 83 83 PHE CB C 13 37.121 0.02 . 1 . . . . . . . . 5616 1 837 . 1 1 83 83 PHE HB2 H 1 3.022 0.021 . 1 . . . . . . . . 5616 1 838 . 1 1 83 83 PHE HB3 H 1 2.605 0.021 . 1 . . . . . . . . 5616 1 839 . 1 1 83 83 PHE CD1 C 13 129.798 0.02 . 1 . . . . . . . . 5616 1 840 . 1 1 83 83 PHE HD1 H 1 6.936 0.02 . 1 . . . . . . . . 5616 1 841 . 1 1 83 83 PHE CE1 C 13 128.245 0.02 . 1 . . . . . . . . 5616 1 842 . 1 1 83 83 PHE HE1 H 1 6.665 0.02 . 1 . . . . . . . . 5616 1 843 . 1 1 83 83 PHE CZ C 13 126.174 0.02 . 1 . . . . . . . . 5616 1 844 . 1 1 83 83 PHE HZ H 1 6.198 0.02 . 1 . . . . . . . . 5616 1 845 . 1 1 83 83 PHE HE2 H 1 6.664 0.02 . 1 . . . . . . . . 5616 1 846 . 1 1 83 83 PHE HD2 H 1 6.932 0.02 . 1 . . . . . . . . 5616 1 847 . 1 1 84 84 GLU N N 15 120.838 0.02 . 1 . . . . . . . . 5616 1 848 . 1 1 84 84 GLU H H 1 8.396 0.02 . 1 . . . . . . . . 5616 1 849 . 1 1 84 84 GLU CA C 13 53.907 0.02 . 1 . . . . . . . . 5616 1 850 . 1 1 84 84 GLU HA H 1 4.189 0.02 . 1 . . . . . . . . 5616 1 851 . 1 1 84 84 GLU CB C 13 28.158 0.02 . 1 . . . . . . . . 5616 1 852 . 1 1 84 84 GLU HB2 H 1 1.909 0.02 . 1 . . . . . . . . 5616 1 853 . 1 1 84 84 GLU HB3 H 1 1.829 0.02 . 1 . . . . . . . . 5616 1 854 . 1 1 84 84 GLU CG C 13 33.811 0.02 . 1 . . . . . . . . 5616 1 855 . 1 1 84 84 GLU HG2 H 1 2.160 0.02 . 1 . . . . . . . . 5616 1 856 . 1 1 84 84 GLU HG3 H 1 2.095 0.02 . 1 . . . . . . . . 5616 1 857 . 1 1 85 85 LYS N N 15 123.878 0.02 . 1 . . . . . . . . 5616 1 858 . 1 1 85 85 LYS H H 1 8.318 0.02 . 1 . . . . . . . . 5616 1 859 . 1 1 85 85 LYS CA C 13 53.915 0.02 . 1 . . . . . . . . 5616 1 860 . 1 1 85 85 LYS HA H 1 4.224 0.02 . 1 . . . . . . . . 5616 1 861 . 1 1 85 85 LYS CB C 13 30.423 0.02 . 1 . . . . . . . . 5616 1 862 . 1 1 85 85 LYS HB2 H 1 1.741 0.02 . 1 . . . . . . . . 5616 1 863 . 1 1 85 85 LYS HB3 H 1 1.627 0.02 . 1 . . . . . . . . 5616 1 864 . 1 1 85 85 LYS CG C 13 22.357 0.02 . 1 . . . . . . . . 5616 1 865 . 1 1 85 85 LYS HG2 H 1 1.351 0.02 . 2 . . . . . . . . 5616 1 866 . 1 1 85 85 LYS CD C 13 26.909 0.02 . 1 . . . . . . . . 5616 1 867 . 1 1 85 85 LYS HD2 H 1 1.581 0.02 . 2 . . . . . . . . 5616 1 868 . 1 1 85 85 LYS CE C 13 39.832 0.02 . 1 . . . . . . . . 5616 1 869 . 1 1 85 85 LYS HE2 H 1 2.872 0.02 . 2 . . . . . . . . 5616 1 870 . 1 1 86 86 LYS N N 15 128.982 0.02 . 1 . . . . . . . . 5616 1 871 . 1 1 86 86 LYS H H 1 7.957 0.02 . 1 . . . . . . . . 5616 1 872 . 1 1 86 86 LYS CA C 13 55.073 0.02 . 1 . . . . . . . . 5616 1 873 . 1 1 86 86 LYS HA H 1 4.076 0.02 . 1 . . . . . . . . 5616 1 874 . 1 1 86 86 LYS CB C 13 31.497 0.02 . 1 . . . . . . . . 5616 1 875 . 1 1 86 86 LYS HB2 H 1 1.728 0.02 . 1 . . . . . . . . 5616 1 876 . 1 1 86 86 LYS HB3 H 1 1.596 0.02 . 1 . . . . . . . . 5616 1 877 . 1 1 86 86 LYS CG C 13 22.394 0.02 . 1 . . . . . . . . 5616 1 878 . 1 1 86 86 LYS HG2 H 1 1.292 0.02 . 2 . . . . . . . . 5616 1 879 . 1 1 86 86 LYS CD C 13 26.649 0.02 . 1 . . . . . . . . 5616 1 880 . 1 1 86 86 LYS HD2 H 1 1.601 0.02 . 2 . . . . . . . . 5616 1 881 . 1 1 86 86 LYS CE C 13 39.461 0.02 . 1 . . . . . . . . 5616 1 882 . 1 1 86 86 LYS HE2 H 1 2.866 0.02 . 2 . . . . . . . . 5616 1 stop_ save_