data_5843 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5843 _Entry.Title ; Solution Structure of At3g17210 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-06-25 _Entry.Accession_date 2003-06-25 _Entry.Last_release_date . _Entry.Original_release_date . _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 B. Volkman . F. . 5843 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5843 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 776 5843 '13C chemical shifts' 493 5843 '15N chemical shifts' 111 5843 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 3 . . 2009-07-13 2003-06-25 update BMRB 'added time domain data' 5843 2 . . 2003-08-07 2003-06-25 update author 'update cs table and system to dimer' 5843 1 . . 2003-07-17 2003-06-25 original author 'original release' 5843 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5843 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Structure of the hypothetical protein At3g17210 from Arabidopsis thaliana ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 4 _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 397 _Citation.Page_last 400 _Citation.Year 2004 _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 Betsy Lytle . L. . 5843 1 2 Francis Peterson . C. . 5843 1 3 Kelly Kjer . L. . 5843 1 4 Ronnie Frederick . O. . 5843 1 5 Qin Zhao . . . 5843 1 6 Sandy Thao . . . 5843 1 7 Craig Bingman . . . 5843 1 8 Kenneth Johnson . A. . 5843 1 9 Georage Phillips . N. . 5843 1 10 Brian Volkman . F. . 5843 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'unknown function' 5843 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_hypothetical_protein_At3g17210 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_hypothetical_protein_At3g17210 _Assembly.Entry_ID 5843 _Assembly.ID 1 _Assembly.Name 'expressed protein: At3g17210.1' _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 dimer 5843 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 'hypothetical protein At3g17210, chain 1' 1 $hypothetical_protein_At3g17210 . . . native . . 1 . . 5843 1 2 'hypothetical protein At3g17210, chain 2' 1 $hypothetical_protein_At3g17210 . . . native . . 1 . . 5843 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 1Q53 . . . . . . 5843 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'expressed protein: At3g17210.1' system 5843 1 'hypothetical protein At3g17210' abbreviation 5843 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hypothetical_protein_At3g17210 _Entity.Sf_category entity _Entity.Sf_framecode hypothetical_protein_At3g17210 _Entity.Entry_ID 5843 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'expressed protein At3g17210.1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMEEAKGPVKHVLLASFK DGVSPEKIEELIKGYANLVN LIEPMKAFHWGKDVSIENLH QGYTHIFESTFESKEAVAEY IAHPAHVEFATIFLGSLDKV LVIDYKPTSVSL ; _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 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 1Q4R . "Gene Product Of At3g17210 From Arabidopsis Thaliana" . . . . . 100.00 112 98.21 98.21 1.97e-71 . . . . 5843 1 2 no PDB 1Q53 . "Solution Structure Of Hypothetical Arabidopsis Thaliana Protein At3g17210. Center For Eukaryotic Structural Genomics Target 130" . . . . . 100.00 112 100.00 100.00 1.64e-73 . . . . 5843 1 3 no PDB 2Q3P . "Ensemble Refinement Of The Protein Crystal Structure Of At3g17210 From Arabidopsis Thaliana" . . . . . 100.00 112 98.21 98.21 1.97e-71 . . . . 5843 1 4 no DBJ BAB02723 . "unnamed protein product [Arabidopsis thaliana]" . . . . . 97.32 109 100.00 100.00 4.64e-71 . . . . 5843 1 5 no DBJ BAF02259 . "hypothetical protein [Arabidopsis thaliana]" . . . . . 97.32 109 100.00 100.00 4.64e-71 . . . . 5843 1 6 no GB AAK43839 . "Unknown protein [Arabidopsis thaliana]" . . . . . 97.32 109 100.00 100.00 4.64e-71 . . . . 5843 1 7 no GB AAL47379 . "unknown protein [Arabidopsis thaliana]" . . . . . 97.32 109 100.00 100.00 4.64e-71 . . . . 5843 1 8 no GB AAM63750 . "pop3 peptide [Arabidopsis thaliana]" . . . . . 97.32 109 99.08 100.00 1.68e-70 . . . . 5843 1 9 no GB AEE75921 . "heat stable protein 1 [Arabidopsis thaliana]" . . . . . 97.32 109 100.00 100.00 4.64e-71 . . . . 5843 1 10 no REF NP_566569 . "heat stable protein 1 [Arabidopsis thaliana]" . . . . . 97.32 109 100.00 100.00 4.64e-71 . . . . 5843 1 11 no SP Q9LUV2 . "RecName: Full=Probable protein Pop3 [Arabidopsis thaliana]" . . . . . 97.32 109 100.00 100.00 4.64e-71 . . . . 5843 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'expressed protein At3g17210.1' common 5843 1 At3g17210 abbreviation 5843 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 5843 1 2 . SER . 5843 1 3 . HIS . 5843 1 4 . MET . 5843 1 5 . GLU . 5843 1 6 . GLU . 5843 1 7 . ALA . 5843 1 8 . LYS . 5843 1 9 . GLY . 5843 1 10 . PRO . 5843 1 11 . VAL . 5843 1 12 . LYS . 5843 1 13 . HIS . 5843 1 14 . VAL . 5843 1 15 . LEU . 5843 1 16 . LEU . 5843 1 17 . ALA . 5843 1 18 . SER . 5843 1 19 . PHE . 5843 1 20 . LYS . 5843 1 21 . ASP . 5843 1 22 . GLY . 5843 1 23 . VAL . 5843 1 24 . SER . 5843 1 25 . PRO . 5843 1 26 . GLU . 5843 1 27 . LYS . 5843 1 28 . ILE . 5843 1 29 . GLU . 5843 1 30 . GLU . 5843 1 31 . LEU . 5843 1 32 . ILE . 5843 1 33 . LYS . 5843 1 34 . GLY . 5843 1 35 . TYR . 5843 1 36 . ALA . 5843 1 37 . ASN . 5843 1 38 . LEU . 5843 1 39 . VAL . 5843 1 40 . ASN . 5843 1 41 . LEU . 5843 1 42 . ILE . 5843 1 43 . GLU . 5843 1 44 . PRO . 5843 1 45 . MET . 5843 1 46 . LYS . 5843 1 47 . ALA . 5843 1 48 . PHE . 5843 1 49 . HIS . 5843 1 50 . TRP . 5843 1 51 . GLY . 5843 1 52 . LYS . 5843 1 53 . ASP . 5843 1 54 . VAL . 5843 1 55 . SER . 5843 1 56 . ILE . 5843 1 57 . GLU . 5843 1 58 . ASN . 5843 1 59 . LEU . 5843 1 60 . HIS . 5843 1 61 . GLN . 5843 1 62 . GLY . 5843 1 63 . TYR . 5843 1 64 . THR . 5843 1 65 . HIS . 5843 1 66 . ILE . 5843 1 67 . PHE . 5843 1 68 . GLU . 5843 1 69 . SER . 5843 1 70 . THR . 5843 1 71 . PHE . 5843 1 72 . GLU . 5843 1 73 . SER . 5843 1 74 . LYS . 5843 1 75 . GLU . 5843 1 76 . ALA . 5843 1 77 . VAL . 5843 1 78 . ALA . 5843 1 79 . GLU . 5843 1 80 . TYR . 5843 1 81 . ILE . 5843 1 82 . ALA . 5843 1 83 . HIS . 5843 1 84 . PRO . 5843 1 85 . ALA . 5843 1 86 . HIS . 5843 1 87 . VAL . 5843 1 88 . GLU . 5843 1 89 . PHE . 5843 1 90 . ALA . 5843 1 91 . THR . 5843 1 92 . ILE . 5843 1 93 . PHE . 5843 1 94 . LEU . 5843 1 95 . GLY . 5843 1 96 . SER . 5843 1 97 . LEU . 5843 1 98 . ASP . 5843 1 99 . LYS . 5843 1 100 . VAL . 5843 1 101 . LEU . 5843 1 102 . VAL . 5843 1 103 . ILE . 5843 1 104 . ASP . 5843 1 105 . TYR . 5843 1 106 . LYS . 5843 1 107 . PRO . 5843 1 108 . THR . 5843 1 109 . SER . 5843 1 110 . VAL . 5843 1 111 . SER . 5843 1 112 . LEU . 5843 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 5843 1 . SER 2 2 5843 1 . HIS 3 3 5843 1 . MET 4 4 5843 1 . GLU 5 5 5843 1 . GLU 6 6 5843 1 . ALA 7 7 5843 1 . LYS 8 8 5843 1 . GLY 9 9 5843 1 . PRO 10 10 5843 1 . VAL 11 11 5843 1 . LYS 12 12 5843 1 . HIS 13 13 5843 1 . VAL 14 14 5843 1 . LEU 15 15 5843 1 . LEU 16 16 5843 1 . ALA 17 17 5843 1 . SER 18 18 5843 1 . PHE 19 19 5843 1 . LYS 20 20 5843 1 . ASP 21 21 5843 1 . GLY 22 22 5843 1 . VAL 23 23 5843 1 . SER 24 24 5843 1 . PRO 25 25 5843 1 . GLU 26 26 5843 1 . LYS 27 27 5843 1 . ILE 28 28 5843 1 . GLU 29 29 5843 1 . GLU 30 30 5843 1 . LEU 31 31 5843 1 . ILE 32 32 5843 1 . LYS 33 33 5843 1 . GLY 34 34 5843 1 . TYR 35 35 5843 1 . ALA 36 36 5843 1 . ASN 37 37 5843 1 . LEU 38 38 5843 1 . VAL 39 39 5843 1 . ASN 40 40 5843 1 . LEU 41 41 5843 1 . ILE 42 42 5843 1 . GLU 43 43 5843 1 . PRO 44 44 5843 1 . MET 45 45 5843 1 . LYS 46 46 5843 1 . ALA 47 47 5843 1 . PHE 48 48 5843 1 . HIS 49 49 5843 1 . TRP 50 50 5843 1 . GLY 51 51 5843 1 . LYS 52 52 5843 1 . ASP 53 53 5843 1 . VAL 54 54 5843 1 . SER 55 55 5843 1 . ILE 56 56 5843 1 . GLU 57 57 5843 1 . ASN 58 58 5843 1 . LEU 59 59 5843 1 . HIS 60 60 5843 1 . GLN 61 61 5843 1 . GLY 62 62 5843 1 . TYR 63 63 5843 1 . THR 64 64 5843 1 . HIS 65 65 5843 1 . ILE 66 66 5843 1 . PHE 67 67 5843 1 . GLU 68 68 5843 1 . SER 69 69 5843 1 . THR 70 70 5843 1 . PHE 71 71 5843 1 . GLU 72 72 5843 1 . SER 73 73 5843 1 . LYS 74 74 5843 1 . GLU 75 75 5843 1 . ALA 76 76 5843 1 . VAL 77 77 5843 1 . ALA 78 78 5843 1 . GLU 79 79 5843 1 . TYR 80 80 5843 1 . ILE 81 81 5843 1 . ALA 82 82 5843 1 . HIS 83 83 5843 1 . PRO 84 84 5843 1 . ALA 85 85 5843 1 . HIS 86 86 5843 1 . VAL 87 87 5843 1 . GLU 88 88 5843 1 . PHE 89 89 5843 1 . ALA 90 90 5843 1 . THR 91 91 5843 1 . ILE 92 92 5843 1 . PHE 93 93 5843 1 . LEU 94 94 5843 1 . GLY 95 95 5843 1 . SER 96 96 5843 1 . LEU 97 97 5843 1 . ASP 98 98 5843 1 . LYS 99 99 5843 1 . VAL 100 100 5843 1 . LEU 101 101 5843 1 . VAL 102 102 5843 1 . ILE 103 103 5843 1 . ASP 104 104 5843 1 . TYR 105 105 5843 1 . LYS 106 106 5843 1 . PRO 107 107 5843 1 . THR 108 108 5843 1 . SER 109 109 5843 1 . VAL 110 110 5843 1 . SER 111 111 5843 1 . LEU 112 112 5843 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 5843 _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 $hypothetical_protein_At3g17210 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 5843 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 5843 _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 $hypothetical_protein_At3g17210 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5843 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5843 _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 'expressed protein At3g17210.1' '[U-13C; U-15N]' . . 1 $hypothetical_protein_At3g17210 . . 1 . . mM . . . . 5843 1 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 5843 1 3 'sodium chloride' . . . . . . . 50 . . mM . . . . 5843 1 4 H2O . . . . . . . 90 . . % . . . . 5843 1 5 D2O . . . . . . . 10 . . % . . . . 5843 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5843 _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 6.5 . n/a 5843 1 temperature 298 . K 5843 1 'ionic strength' 70 . mM 5843 1 pressure 1 . atm 5843 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5843 _Software.ID 1 _Software.Name XWINNMR _Software.Version 3.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 5843 1 stop_ save_ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 5843 _Software.ID 2 _Software.Name NMRPIPE _Software.Version 97.027.12.56 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5843 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5843 _Software.ID 3 _Software.Name XEASY _Software.Version 1.4 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5843 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 5843 _Software.ID 4 _Software.Name CYANA _Software.Version 1.0.6 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5843 4 refinement 5843 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5843 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 5843 _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 Bruker DMX . 600 . . . 5843 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 5843 _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 '3D 15N-separated NOESY' yes 1 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5843 1 2 '3D 13C-separated NOESY' yes 2 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5843 1 3 '3D HNCO' yes 3 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5843 1 4 '3D HNCACO' yes 4 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5843 1 5 '3D HNCA' yes 5 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5843 1 6 '3D HNCOCA' yes 6 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5843 1 7 '3D HNCACB' yes 7 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5843 1 8 '3D CCONH' yes 8 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5843 1 9 '3D 15N-edited TOCSY-HSQC' yes 9 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5843 1 10 HCCH-TOCSY yes 10 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5843 1 11 '15N-1H HSQC' yes 11 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5843 1 12 '3D 13C-separated NOESY (arom)' yes 12 . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5843 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 5843 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated 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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/15N-NOESY/' . . . . . . . 5843 1 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/15N-NOESY/' . . . . . . . 5843 1 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/15N-NOESY/' . . . . . . . 5843 1 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/15N-NOESY/' . . . . . . . 5843 1 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/15N-NOESY/pdata/1/' . . . . . . . 5843 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 5843 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C-separated 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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-13C-NOESY/' . . . . . . . 5843 2 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-13C-NOESY/' . . . . . . . 5843 2 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-13C-NOESY/' . . . . . . . 5843 2 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-13C-NOESY/' . . . . . . . 5843 2 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-13C-NOESY/pdata/1/' . . . . . . . 5843 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 5843 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D HNCO' _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-HNCO/' . . . . . . . 5843 3 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-HNCO/' . . . . . . . 5843 3 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-HNCO/' . . . . . . . 5843 3 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-HNCO/' . . . . . . . 5843 3 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-HNCO/pdata/1/' . . . . . . . 5843 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 5843 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D HNCACO' _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-HNCACO/' . . . . . . . 5843 4 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-HNCACO/' . . . . . . . 5843 4 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-HNCACO/' . . . . . . . 5843 4 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-HNCACO/' . . . . . . . 5843 4 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-HNCACO/pdata/1/' . . . . . . . 5843 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 5843 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D 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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-HNCA/' . . . . . . . 5843 5 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-HNCA/' . . . . . . . 5843 5 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-HNCA/' . . . . . . . 5843 5 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-HNCA/' . . . . . . . 5843 5 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-HNCA/pdata/1/' . . . . . . . 5843 5 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 5843 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HNCOCA' _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-HNCOCA/' . . . . . . . 5843 6 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-HNCOCA/' . . . . . . . 5843 6 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-HNCOCA/' . . . . . . . 5843 6 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-HNCOCA/' . . . . . . . 5843 6 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-HNCOCA/pdata/1/' . . . . . . . 5843 6 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 5843 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-HNCACB/' . . . . . . . 5843 7 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-HNCACB/' . . . . . . . 5843 7 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-HNCACB/' . . . . . . . 5843 7 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-HNCACB/' . . . . . . . 5843 7 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/3D-HNCACB/pdata/1/' . . . . . . . 5843 7 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 5843 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D CCONH' _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/CCONH/' . . . . . . . 5843 8 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/CCONH/' . . . . . . . 5843 8 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/CCONH/' . . . . . . . 5843 8 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/CCONH/' . . . . . . . 5843 8 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/CCONH/pdata/2/' . . . . . . . 5843 8 stop_ save_ save_NMR_spectrometer_expt_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9 _NMR_spec_expt.Entry_ID 5843 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D 15N-edited TOCSY-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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/15N-TOCSY/' . . . . . . . 5843 9 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/15N-TOCSY/' . . . . . . . 5843 9 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/15N-TOCSY/' . . . . . . . 5843 9 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/15N-TOCSY/' . . . . . . . 5843 9 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/15N-TOCSY/pdata/1/' . . . . . . . 5843 9 stop_ save_ save_NMR_spectrometer_expt_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_10 _NMR_spec_expt.Entry_ID 5843 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HCCH-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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/HCCH-TOCSY/' . . . . . . . 5843 10 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/HCCH-TOCSY/' . . . . . . . 5843 10 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/HCCH-TOCSY/' . . . . . . . 5843 10 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/HCCH-TOCSY/' . . . . . . . 5843 10 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/HCCH-TOCSY/pdata/1/' . . . . . . . 5843 10 stop_ save_ save_NMR_spectrometer_expt_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_11 _NMR_spec_expt.Entry_ID 5843 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '15N-1H 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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/1H-15N-HSQC_4/' . . . . . . . 5843 11 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/1H-15N-HSQC_4/' . . . . . . . 5843 11 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/1H-15N-HSQC_4/' . . . . . . . 5843 11 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/1H-15N-HSQC_4/' . . . . . . . 5843 11 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/1H-15N-HSQC_4/pdata/1/' . . . . . . . 5843 11 stop_ save_ save_NMR_spectrometer_expt_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_12 _NMR_spec_expt.Entry_ID 5843 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D 13C-separated NOESY (arom)' _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/Aromatic_3D-13C-NOESY/' . . . . . . . 5843 12 acqus 'acquisition parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/Aromatic_3D-13C-NOESY/' . . . . . . . 5843 12 pulseprogram 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/Aromatic_3D-13C-NOESY/' . . . . . . . 5843 12 ser 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/Aromatic_3D-13C-NOESY/' . . . . . . . 5843 12 procs 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5843/timedomain_data/at3g17210/Aromatic_3D-13C-NOESY/pdata/1/' . . . . . . . 5843 12 stop_ 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 5843 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5843 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5843 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5843 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5843 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D HNCO' 1 $sample_1 . 5843 1 4 '3D HNCACO' 1 $sample_1 . 5843 1 5 '3D HNCA' 1 $sample_1 . 5843 1 6 '3D HNCOCA' 1 $sample_1 . 5843 1 7 '3D HNCACB' 1 $sample_1 . 5843 1 8 '3D CCONH' 1 $sample_1 . 5843 1 9 '3D 15N-edited TOCSY-HSQC' 1 $sample_1 . 5843 1 10 HCCH-TOCSY 1 $sample_1 . 5843 1 12 '3D 13C-separated NOESY (arom)' 1 $sample_1 . 5843 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 1 1 GLY CA C 13 45.4 0.1 . 1 . . . . . . . . 5843 1 2 . 1 1 1 1 GLY HA2 H 1 3.94 0.02 . 2 . . . . . . . . 5843 1 3 . 1 1 1 1 GLY C C 13 173.8 0.1 . 1 . . . . . . . . 5843 1 4 . 1 1 2 2 SER N N 15 121.2 0.1 . 1 . . . . . . . . 5843 1 5 . 1 1 2 2 SER H H 1 7.86 0.02 . 1 . . . . . . . . 5843 1 6 . 1 1 2 2 SER CA C 13 60.3 0.1 . 1 . . . . . . . . 5843 1 7 . 1 1 2 2 SER HA H 1 4.25 0.02 . 1 . . . . . . . . 5843 1 8 . 1 1 2 2 SER CB C 13 64.5 0.1 . 1 . . . . . . . . 5843 1 9 . 1 1 2 2 SER HB3 H 1 3.78 0.02 . 2 . . . . . . . . 5843 1 10 . 1 1 3 3 HIS N N 15 112.7 0.1 . 1 . . . . . . . . 5843 1 11 . 1 1 3 3 HIS H H 1 8.19 0.02 . 1 . . . . . . . . 5843 1 12 . 1 1 3 3 HIS CA C 13 56.4 0.1 . 1 . . . . . . . . 5843 1 13 . 1 1 3 3 HIS HA H 1 4.62 0.02 . 1 . . . . . . . . 5843 1 14 . 1 1 3 3 HIS CB C 13 30.2 0.1 . 1 . . . . . . . . 5843 1 15 . 1 1 3 3 HIS HB2 H 1 3.11 0.02 . 2 . . . . . . . . 5843 1 16 . 1 1 3 3 HIS HB3 H 1 3.17 0.02 . 2 . . . . . . . . 5843 1 17 . 1 1 3 3 HIS CD2 C 13 120.2 0.1 . 1 . . . . . . . . 5843 1 18 . 1 1 3 3 HIS CE1 C 13 138.8 0.1 . 1 . . . . . . . . 5843 1 19 . 1 1 3 3 HIS HD2 H 1 7.08 0.02 . 1 . . . . . . . . 5843 1 20 . 1 1 3 3 HIS HE1 H 1 7.39 0.02 . 1 . . . . . . . . 5843 1 21 . 1 1 3 3 HIS C C 13 175.1 0.1 . 1 . . . . . . . . 5843 1 22 . 1 1 4 4 MET N N 15 122.1 0.1 . 1 . . . . . . . . 5843 1 23 . 1 1 4 4 MET H H 1 8.32 0.02 . 1 . . . . . . . . 5843 1 24 . 1 1 4 4 MET CA C 13 55.8 0.1 . 1 . . . . . . . . 5843 1 25 . 1 1 4 4 MET HA H 1 4.39 0.02 . 1 . . . . . . . . 5843 1 26 . 1 1 4 4 MET CB C 13 33.1 0.1 . 1 . . . . . . . . 5843 1 27 . 1 1 4 4 MET HB2 H 1 2.00 0.02 . 2 . . . . . . . . 5843 1 28 . 1 1 4 4 MET HB3 H 1 1.91 0.02 . 2 . . . . . . . . 5843 1 29 . 1 1 4 4 MET CG C 13 32.2 0.1 . 1 . . . . . . . . 5843 1 30 . 1 1 4 4 MET HG2 H 1 2.44 0.02 . 2 . . . . . . . . 5843 1 31 . 1 1 4 4 MET HG3 H 1 2.48 0.02 . 2 . . . . . . . . 5843 1 32 . 1 1 4 4 MET C C 13 176.2 0.1 . 1 . . . . . . . . 5843 1 33 . 1 1 5 5 GLU N N 15 122.7 0.1 . 1 . . . . . . . . 5843 1 34 . 1 1 5 5 GLU H H 1 8.44 0.02 . 1 . . . . . . . . 5843 1 35 . 1 1 5 5 GLU CA C 13 56.8 0.1 . 1 . . . . . . . . 5843 1 36 . 1 1 5 5 GLU HA H 1 4.19 0.02 . 1 . . . . . . . . 5843 1 37 . 1 1 5 5 GLU CB C 13 30.5 0.1 . 1 . . . . . . . . 5843 1 38 . 1 1 5 5 GLU HB2 H 1 1.87 0.02 . 2 . . . . . . . . 5843 1 39 . 1 1 5 5 GLU HB3 H 1 1.94 0.02 . 2 . . . . . . . . 5843 1 40 . 1 1 5 5 GLU HG3 H 1 2.20 0.02 . 2 . . . . . . . . 5843 1 41 . 1 1 5 5 GLU C C 13 176.5 0.1 . 1 . . . . . . . . 5843 1 42 . 1 1 6 6 GLU N N 15 123.0 0.1 . 1 . . . . . . . . 5843 1 43 . 1 1 6 6 GLU H H 1 8.40 0.02 . 1 . . . . . . . . 5843 1 44 . 1 1 6 6 GLU CA C 13 56.4 0.1 . 1 . . . . . . . . 5843 1 45 . 1 1 6 6 GLU HA H 1 4.17 0.02 . 1 . . . . . . . . 5843 1 46 . 1 1 6 6 GLU CB C 13 30.9 0.1 . 1 . . . . . . . . 5843 1 47 . 1 1 6 6 GLU HB3 H 1 1.95 0.02 . 2 . . . . . . . . 5843 1 48 . 1 1 6 6 GLU HG3 H 1 2.21 0.02 . 2 . . . . . . . . 5843 1 49 . 1 1 6 6 GLU C C 13 176.3 0.1 . 1 . . . . . . . . 5843 1 50 . 1 1 7 7 ALA N N 15 126.1 0.1 . 1 . . . . . . . . 5843 1 51 . 1 1 7 7 ALA H H 1 8.39 0.02 . 1 . . . . . . . . 5843 1 52 . 1 1 7 7 ALA CA C 13 52.5 0.1 . 1 . . . . . . . . 5843 1 53 . 1 1 7 7 ALA HA H 1 4.29 0.02 . 1 . . . . . . . . 5843 1 54 . 1 1 7 7 ALA HB1 H 1 1.40 0.02 . 1 . . . . . . . . 5843 1 55 . 1 1 7 7 ALA HB2 H 1 1.40 0.02 . 1 . . . . . . . . 5843 1 56 . 1 1 7 7 ALA HB3 H 1 1.40 0.02 . 1 . . . . . . . . 5843 1 57 . 1 1 7 7 ALA CB C 13 19.5 0.1 . 1 . . . . . . . . 5843 1 58 . 1 1 7 7 ALA C C 13 178.1 0.1 . 1 . . . . . . . . 5843 1 59 . 1 1 8 8 LYS N N 15 120.5 0.1 . 1 . . . . . . . . 5843 1 60 . 1 1 8 8 LYS H H 1 8.54 0.02 . 1 . . . . . . . . 5843 1 61 . 1 1 8 8 LYS CA C 13 57.4 0.1 . 1 . . . . . . . . 5843 1 62 . 1 1 8 8 LYS HA H 1 4.14 0.02 . 1 . . . . . . . . 5843 1 63 . 1 1 8 8 LYS CB C 13 33.5 0.1 . 1 . . . . . . . . 5843 1 64 . 1 1 8 8 LYS HB2 H 1 1.84 0.02 . 2 . . . . . . . . 5843 1 65 . 1 1 8 8 LYS HB3 H 1 1.76 0.02 . 2 . . . . . . . . 5843 1 66 . 1 1 8 8 LYS CG C 13 25.4 0.1 . 1 . . . . . . . . 5843 1 67 . 1 1 8 8 LYS HG2 H 1 1.50 0.02 . 2 . . . . . . . . 5843 1 68 . 1 1 8 8 LYS HG3 H 1 1.42 0.02 . 2 . . . . . . . . 5843 1 69 . 1 1 8 8 LYS CD C 13 29.6 0.1 . 1 . . . . . . . . 5843 1 70 . 1 1 8 8 LYS HD3 H 1 1.64 0.02 . 2 . . . . . . . . 5843 1 71 . 1 1 8 8 LYS CE C 13 42.5 0.1 . 1 . . . . . . . . 5843 1 72 . 1 1 8 8 LYS HE3 H 1 2.93 0.02 . 2 . . . . . . . . 5843 1 73 . 1 1 8 8 LYS C C 13 176.0 0.1 . 1 . . . . . . . . 5843 1 74 . 1 1 9 9 GLY N N 15 106.0 0.1 . 1 . . . . . . . . 5843 1 75 . 1 1 9 9 GLY H H 1 7.45 0.02 . 1 . . . . . . . . 5843 1 76 . 1 1 9 9 GLY CA C 13 44.5 0.1 . 1 . . . . . . . . 5843 1 77 . 1 1 9 9 GLY HA2 H 1 3.79 0.02 . 2 . . . . . . . . 5843 1 78 . 1 1 9 9 GLY HA3 H 1 3.62 0.02 . 2 . . . . . . . . 5843 1 79 . 1 1 10 10 PRO CD C 13 50.6 0.1 . 1 . . . . . . . . 5843 1 80 . 1 1 10 10 PRO CA C 13 62.9 0.1 . 1 . . . . . . . . 5843 1 81 . 1 1 10 10 PRO HA H 1 4.41 0.02 . 1 . . . . . . . . 5843 1 82 . 1 1 10 10 PRO CB C 13 35.7 0.1 . 1 . . . . . . . . 5843 1 83 . 1 1 10 10 PRO HB2 H 1 1.60 0.02 . 2 . . . . . . . . 5843 1 84 . 1 1 10 10 PRO HB3 H 1 2.24 0.02 . 2 . . . . . . . . 5843 1 85 . 1 1 10 10 PRO CG C 13 25.0 0.1 . 1 . . . . . . . . 5843 1 86 . 1 1 10 10 PRO HG2 H 1 1.43 0.02 . 2 . . . . . . . . 5843 1 87 . 1 1 10 10 PRO HG3 H 1 1.76 0.02 . 2 . . . . . . . . 5843 1 88 . 1 1 10 10 PRO HD2 H 1 3.45 0.02 . 2 . . . . . . . . 5843 1 89 . 1 1 10 10 PRO HD3 H 1 3.38 0.02 . 2 . . . . . . . . 5843 1 90 . 1 1 10 10 PRO C C 13 174.2 0.1 . 1 . . . . . . . . 5843 1 91 . 1 1 11 11 VAL N N 15 117.3 0.1 . 1 . . . . . . . . 5843 1 92 . 1 1 11 11 VAL H H 1 8.44 0.02 . 1 . . . . . . . . 5843 1 93 . 1 1 11 11 VAL CA C 13 61.3 0.1 . 1 . . . . . . . . 5843 1 94 . 1 1 11 11 VAL HA H 1 4.08 0.02 . 1 . . . . . . . . 5843 1 95 . 1 1 11 11 VAL CB C 13 35.1 0.1 . 1 . . . . . . . . 5843 1 96 . 1 1 11 11 VAL HB H 1 1.30 0.02 . 1 . . . . . . . . 5843 1 97 . 1 1 11 11 VAL HG11 H 1 0.57 0.02 . 2 . . . . . . . . 5843 1 98 . 1 1 11 11 VAL HG12 H 1 0.57 0.02 . 2 . . . . . . . . 5843 1 99 . 1 1 11 11 VAL HG13 H 1 0.57 0.02 . 2 . . . . . . . . 5843 1 100 . 1 1 11 11 VAL HG21 H 1 0.46 0.02 . 2 . . . . . . . . 5843 1 101 . 1 1 11 11 VAL HG22 H 1 0.46 0.02 . 2 . . . . . . . . 5843 1 102 . 1 1 11 11 VAL HG23 H 1 0.46 0.02 . 2 . . . . . . . . 5843 1 103 . 1 1 11 11 VAL CG1 C 13 22.5 0.1 . 1 . . . . . . . . 5843 1 104 . 1 1 11 11 VAL CG2 C 13 21.8 0.1 . 1 . . . . . . . . 5843 1 105 . 1 1 11 11 VAL C C 13 174.6 0.1 . 1 . . . . . . . . 5843 1 106 . 1 1 12 12 LYS N N 15 125.0 0.1 . 1 . . . . . . . . 5843 1 107 . 1 1 12 12 LYS H H 1 8.88 0.02 . 1 . . . . . . . . 5843 1 108 . 1 1 12 12 LYS CA C 13 53.8 0.1 . 1 . . . . . . . . 5843 1 109 . 1 1 12 12 LYS HA H 1 4.83 0.02 . 1 . . . . . . . . 5843 1 110 . 1 1 12 12 LYS CB C 13 34.1 0.1 . 1 . . . . . . . . 5843 1 111 . 1 1 12 12 LYS HB2 H 1 1.15 0.02 . 2 . . . . . . . . 5843 1 112 . 1 1 12 12 LYS HB3 H 1 1.02 0.02 . 2 . . . . . . . . 5843 1 113 . 1 1 12 12 LYS CG C 13 25.4 0.1 . 1 . . . . . . . . 5843 1 114 . 1 1 12 12 LYS HG2 H 1 0.70 0.02 . 2 . . . . . . . . 5843 1 115 . 1 1 12 12 LYS HG3 H 1 0.83 0.02 . 2 . . . . . . . . 5843 1 116 . 1 1 12 12 LYS CD C 13 28.9 0.1 . 1 . . . . . . . . 5843 1 117 . 1 1 12 12 LYS HD2 H 1 1.01 0.02 . 2 . . . . . . . . 5843 1 118 . 1 1 12 12 LYS HD3 H 1 1.34 0.02 . 2 . . . . . . . . 5843 1 119 . 1 1 12 12 LYS CE C 13 42.5 0.1 . 1 . . . . . . . . 5843 1 120 . 1 1 12 12 LYS HE3 H 1 2.49 0.02 . 2 . . . . . . . . 5843 1 121 . 1 1 12 12 LYS C C 13 173.8 0.1 . 1 . . . . . . . . 5843 1 122 . 1 1 13 13 HIS N N 15 125.3 0.1 . 1 . . . . . . . . 5843 1 123 . 1 1 13 13 HIS H H 1 9.18 0.02 . 1 . . . . . . . . 5843 1 124 . 1 1 13 13 HIS CA C 13 54.5 0.1 . 1 . . . . . . . . 5843 1 125 . 1 1 13 13 HIS HA H 1 5.78 0.02 . 1 . . . . . . . . 5843 1 126 . 1 1 13 13 HIS CB C 13 32.2 0.1 . 1 . . . . . . . . 5843 1 127 . 1 1 13 13 HIS HB2 H 1 3.58 0.02 . 2 . . . . . . . . 5843 1 128 . 1 1 13 13 HIS HB3 H 1 2.51 0.02 . 2 . . . . . . . . 5843 1 129 . 1 1 13 13 HIS CD2 C 13 120.2 0.1 . 1 . . . . . . . . 5843 1 130 . 1 1 13 13 HIS CE1 C 13 138.5 0.1 . 1 . . . . . . . . 5843 1 131 . 1 1 13 13 HIS HD2 H 1 7.22 0.02 . 1 . . . . . . . . 5843 1 132 . 1 1 13 13 HIS HE1 H 1 9.06 0.02 . 1 . . . . . . . . 5843 1 133 . 1 1 13 13 HIS C C 13 173.8 0.1 . 1 . . . . . . . . 5843 1 134 . 1 1 14 14 VAL N N 15 131.3 0.1 . 1 . . . . . . . . 5843 1 135 . 1 1 14 14 VAL H H 1 9.56 0.02 . 1 . . . . . . . . 5843 1 136 . 1 1 14 14 VAL CA C 13 61.9 0.1 . 1 . . . . . . . . 5843 1 137 . 1 1 14 14 VAL HA H 1 4.61 0.02 . 1 . . . . . . . . 5843 1 138 . 1 1 14 14 VAL CB C 13 33.8 0.1 . 1 . . . . . . . . 5843 1 139 . 1 1 14 14 VAL HB H 1 2.07 0.02 . 1 . . . . . . . . 5843 1 140 . 1 1 14 14 VAL HG11 H 1 0.94 0.02 . 2 . . . . . . . . 5843 1 141 . 1 1 14 14 VAL HG12 H 1 0.94 0.02 . 2 . . . . . . . . 5843 1 142 . 1 1 14 14 VAL HG13 H 1 0.94 0.02 . 2 . . . . . . . . 5843 1 143 . 1 1 14 14 VAL HG21 H 1 0.62 0.02 . 2 . . . . . . . . 5843 1 144 . 1 1 14 14 VAL HG22 H 1 0.62 0.02 . 2 . . . . . . . . 5843 1 145 . 1 1 14 14 VAL HG23 H 1 0.62 0.02 . 2 . . . . . . . . 5843 1 146 . 1 1 14 14 VAL CG1 C 13 22.5 0.1 . 1 . . . . . . . . 5843 1 147 . 1 1 14 14 VAL CG2 C 13 21.2 0.1 . 1 . . . . . . . . 5843 1 148 . 1 1 14 14 VAL C C 13 172.3 0.1 . 1 . . . . . . . . 5843 1 149 . 1 1 15 15 LEU N N 15 128.9 0.1 . 1 . . . . . . . . 5843 1 150 . 1 1 15 15 LEU H H 1 8.97 0.02 . 1 . . . . . . . . 5843 1 151 . 1 1 15 15 LEU CA C 13 54.2 0.1 . 1 . . . . . . . . 5843 1 152 . 1 1 15 15 LEU HA H 1 5.45 0.02 . 1 . . . . . . . . 5843 1 153 . 1 1 15 15 LEU CB C 13 46.1 0.1 . 1 . . . . . . . . 5843 1 154 . 1 1 15 15 LEU HB2 H 1 2.01 0.02 . 2 . . . . . . . . 5843 1 155 . 1 1 15 15 LEU HB3 H 1 1.44 0.02 . 2 . . . . . . . . 5843 1 156 . 1 1 15 15 LEU CG C 13 28.9 0.1 . 1 . . . . . . . . 5843 1 157 . 1 1 15 15 LEU HG H 1 1.72 0.02 . 1 . . . . . . . . 5843 1 158 . 1 1 15 15 LEU HD11 H 1 1.04 0.02 . 2 . . . . . . . . 5843 1 159 . 1 1 15 15 LEU HD12 H 1 1.04 0.02 . 2 . . . . . . . . 5843 1 160 . 1 1 15 15 LEU HD13 H 1 1.04 0.02 . 2 . . . . . . . . 5843 1 161 . 1 1 15 15 LEU HD21 H 1 0.99 0.02 . 2 . . . . . . . . 5843 1 162 . 1 1 15 15 LEU HD22 H 1 0.99 0.02 . 2 . . . . . . . . 5843 1 163 . 1 1 15 15 LEU HD23 H 1 0.99 0.02 . 2 . . . . . . . . 5843 1 164 . 1 1 15 15 LEU CD1 C 13 27.6 0.1 . 1 . . . . . . . . 5843 1 165 . 1 1 15 15 LEU CD2 C 13 26.7 0.1 . 1 . . . . . . . . 5843 1 166 . 1 1 15 15 LEU C C 13 175.7 0.1 . 1 . . . . . . . . 5843 1 167 . 1 1 16 16 LEU N N 15 127.8 0.1 . 1 . . . . . . . . 5843 1 168 . 1 1 16 16 LEU H H 1 9.77 0.02 . 1 . . . . . . . . 5843 1 169 . 1 1 16 16 LEU CA C 13 54.2 0.1 . 1 . . . . . . . . 5843 1 170 . 1 1 16 16 LEU HA H 1 5.39 0.02 . 1 . . . . . . . . 5843 1 171 . 1 1 16 16 LEU CB C 13 44.5 0.1 . 1 . . . . . . . . 5843 1 172 . 1 1 16 16 LEU HB3 H 1 1.14 0.02 . 2 . . . . . . . . 5843 1 173 . 1 1 16 16 LEU CG C 13 28.9 0.1 . 1 . . . . . . . . 5843 1 174 . 1 1 16 16 LEU HG H 1 1.27 0.02 . 1 . . . . . . . . 5843 1 175 . 1 1 16 16 LEU HD11 H 1 0.36 0.02 . 2 . . . . . . . . 5843 1 176 . 1 1 16 16 LEU HD12 H 1 0.36 0.02 . 2 . . . . . . . . 5843 1 177 . 1 1 16 16 LEU HD13 H 1 0.36 0.02 . 2 . . . . . . . . 5843 1 178 . 1 1 16 16 LEU HD21 H 1 0.38 0.02 . 2 . . . . . . . . 5843 1 179 . 1 1 16 16 LEU HD22 H 1 0.38 0.02 . 2 . . . . . . . . 5843 1 180 . 1 1 16 16 LEU HD23 H 1 0.38 0.02 . 2 . . . . . . . . 5843 1 181 . 1 1 16 16 LEU CD2 C 13 26.0 0.1 . 1 . . . . . . . . 5843 1 182 . 1 1 16 16 LEU C C 13 175.9 0.1 . 1 . . . . . . . . 5843 1 183 . 1 1 17 17 ALA N N 15 121.5 0.1 . 1 . . . . . . . . 5843 1 184 . 1 1 17 17 ALA H H 1 9.19 0.02 . 1 . . . . . . . . 5843 1 185 . 1 1 17 17 ALA CA C 13 50.9 0.1 . 1 . . . . . . . . 5843 1 186 . 1 1 17 17 ALA HA H 1 5.46 0.02 . 1 . . . . . . . . 5843 1 187 . 1 1 17 17 ALA HB1 H 1 1.25 0.02 . 1 . . . . . . . . 5843 1 188 . 1 1 17 17 ALA HB2 H 1 1.25 0.02 . 1 . . . . . . . . 5843 1 189 . 1 1 17 17 ALA HB3 H 1 1.25 0.02 . 1 . . . . . . . . 5843 1 190 . 1 1 17 17 ALA CB C 13 26.7 0.1 . 1 . . . . . . . . 5843 1 191 . 1 1 17 17 ALA C C 13 177.2 0.1 . 1 . . . . . . . . 5843 1 192 . 1 1 18 18 SER N N 15 113.6 0.1 . 1 . . . . . . . . 5843 1 193 . 1 1 18 18 SER H H 1 7.88 0.02 . 1 . . . . . . . . 5843 1 194 . 1 1 18 18 SER CA C 13 57.4 0.1 . 1 . . . . . . . . 5843 1 195 . 1 1 18 18 SER HA H 1 4.96 0.02 . 1 . . . . . . . . 5843 1 196 . 1 1 18 18 SER CB C 13 66.5 0.1 . 1 . . . . . . . . 5843 1 197 . 1 1 18 18 SER HB3 H 1 3.88 0.02 . 2 . . . . . . . . 5843 1 198 . 1 1 18 18 SER C C 13 174.2 0.1 . 1 . . . . . . . . 5843 1 199 . 1 1 19 19 PHE N N 15 124.7 0.1 . 1 . . . . . . . . 5843 1 200 . 1 1 19 19 PHE H H 1 9.64 0.02 . 1 . . . . . . . . 5843 1 201 . 1 1 19 19 PHE CA C 13 59.3 0.1 . 1 . . . . . . . . 5843 1 202 . 1 1 19 19 PHE HA H 1 4.63 0.02 . 1 . . . . . . . . 5843 1 203 . 1 1 19 19 PHE CB C 13 40.9 0.1 . 1 . . . . . . . . 5843 1 204 . 1 1 19 19 PHE HB3 H 1 2.86 0.02 . 2 . . . . . . . . 5843 1 205 . 1 1 19 19 PHE HD1 H 1 6.97 0.02 . 1 . . . . . . . . 5843 1 206 . 1 1 19 19 PHE HD2 H 1 6.97 0.02 . 1 . . . . . . . . 5843 1 207 . 1 1 19 19 PHE HE1 H 1 6.32 0.02 . 1 . . . . . . . . 5843 1 208 . 1 1 19 19 PHE HE2 H 1 6.32 0.02 . 1 . . . . . . . . 5843 1 209 . 1 1 19 19 PHE CD1 C 13 132.5 0.1 . 1 . . . . . . . . 5843 1 210 . 1 1 19 19 PHE CE1 C 13 130.6 0.1 . 1 . . . . . . . . 5843 1 211 . 1 1 19 19 PHE CZ C 13 127.8 0.1 . 1 . . . . . . . . 5843 1 212 . 1 1 19 19 PHE HZ H 1 6.85 0.02 . 1 . . . . . . . . 5843 1 213 . 1 1 19 19 PHE C C 13 176.2 0.1 . 1 . . . . . . . . 5843 1 214 . 1 1 20 20 LYS N N 15 120.5 0.1 . 1 . . . . . . . . 5843 1 215 . 1 1 20 20 LYS H H 1 8.39 0.02 . 1 . . . . . . . . 5843 1 216 . 1 1 20 20 LYS CA C 13 57.4 0.1 . 1 . . . . . . . . 5843 1 217 . 1 1 20 20 LYS HA H 1 3.95 0.02 . 1 . . . . . . . . 5843 1 218 . 1 1 20 20 LYS CB C 13 34.1 0.1 . 1 . . . . . . . . 5843 1 219 . 1 1 20 20 LYS HB2 H 1 1.75 0.02 . 2 . . . . . . . . 5843 1 220 . 1 1 20 20 LYS HB3 H 1 1.51 0.02 . 2 . . . . . . . . 5843 1 221 . 1 1 20 20 LYS CG C 13 26.7 0.1 . 1 . . . . . . . . 5843 1 222 . 1 1 20 20 LYS HG2 H 1 1.25 0.02 . 2 . . . . . . . . 5843 1 223 . 1 1 20 20 LYS HG3 H 1 0.98 0.02 . 2 . . . . . . . . 5843 1 224 . 1 1 20 20 LYS CD C 13 30.2 0.1 . 1 . . . . . . . . 5843 1 225 . 1 1 20 20 LYS HD3 H 1 1.51 0.02 . 2 . . . . . . . . 5843 1 226 . 1 1 20 20 LYS CE C 13 42.5 0.1 . 1 . . . . . . . . 5843 1 227 . 1 1 20 20 LYS HE3 H 1 2.84 0.02 . 2 . . . . . . . . 5843 1 228 . 1 1 20 20 LYS C C 13 176.9 0.1 . 1 . . . . . . . . 5843 1 229 . 1 1 21 21 ASP N N 15 121.8 0.1 . 1 . . . . . . . . 5843 1 230 . 1 1 21 21 ASP H H 1 8.59 0.02 . 1 . . . . . . . . 5843 1 231 . 1 1 21 21 ASP CA C 13 56.1 0.1 . 1 . . . . . . . . 5843 1 232 . 1 1 21 21 ASP HA H 1 4.35 0.02 . 1 . . . . . . . . 5843 1 233 . 1 1 21 21 ASP CB C 13 41.2 0.1 . 1 . . . . . . . . 5843 1 234 . 1 1 21 21 ASP HB3 H 1 2.56 0.02 . 2 . . . . . . . . 5843 1 235 . 1 1 21 21 ASP C C 13 177.6 0.1 . 1 . . . . . . . . 5843 1 236 . 1 1 22 22 GLY N N 15 111.5 0.1 . 1 . . . . . . . . 5843 1 237 . 1 1 22 22 GLY H H 1 8.61 0.02 . 1 . . . . . . . . 5843 1 238 . 1 1 22 22 GLY CA C 13 45.4 0.1 . 1 . . . . . . . . 5843 1 239 . 1 1 22 22 GLY HA2 H 1 3.65 0.02 . 2 . . . . . . . . 5843 1 240 . 1 1 22 22 GLY HA3 H 1 4.11 0.02 . 2 . . . . . . . . 5843 1 241 . 1 1 22 22 GLY C C 13 174.7 0.1 . 1 . . . . . . . . 5843 1 242 . 1 1 23 23 VAL N N 15 122.6 0.1 . 1 . . . . . . . . 5843 1 243 . 1 1 23 23 VAL H H 1 7.39 0.02 . 1 . . . . . . . . 5843 1 244 . 1 1 23 23 VAL CA C 13 63.2 0.1 . 1 . . . . . . . . 5843 1 245 . 1 1 23 23 VAL HA H 1 3.91 0.02 . 1 . . . . . . . . 5843 1 246 . 1 1 23 23 VAL CB C 13 31.5 0.1 . 1 . . . . . . . . 5843 1 247 . 1 1 23 23 VAL HB H 1 2.09 0.02 . 1 . . . . . . . . 5843 1 248 . 1 1 23 23 VAL HG11 H 1 1.07 0.02 . 2 . . . . . . . . 5843 1 249 . 1 1 23 23 VAL HG12 H 1 1.07 0.02 . 2 . . . . . . . . 5843 1 250 . 1 1 23 23 VAL HG13 H 1 1.07 0.02 . 2 . . . . . . . . 5843 1 251 . 1 1 23 23 VAL HG21 H 1 0.83 0.02 . 2 . . . . . . . . 5843 1 252 . 1 1 23 23 VAL HG22 H 1 0.83 0.02 . 2 . . . . . . . . 5843 1 253 . 1 1 23 23 VAL HG23 H 1 0.83 0.02 . 2 . . . . . . . . 5843 1 254 . 1 1 23 23 VAL CG1 C 13 22.5 0.1 . 1 . . . . . . . . 5843 1 255 . 1 1 23 23 VAL CG2 C 13 22.1 0.1 . 1 . . . . . . . . 5843 1 256 . 1 1 23 23 VAL C C 13 175.8 0.1 . 1 . . . . . . . . 5843 1 257 . 1 1 24 24 SER N N 15 126.9 0.1 . 1 . . . . . . . . 5843 1 258 . 1 1 24 24 SER H H 1 8.52 0.02 . 1 . . . . . . . . 5843 1 259 . 1 1 24 24 SER CA C 13 58.4 0.1 . 1 . . . . . . . . 5843 1 260 . 1 1 24 24 SER HA H 1 4.56 0.02 . 1 . . . . . . . . 5843 1 261 . 1 1 24 24 SER CB C 13 63.5 0.1 . 1 . . . . . . . . 5843 1 262 . 1 1 24 24 SER HB2 H 1 4.37 0.02 . 2 . . . . . . . . 5843 1 263 . 1 1 24 24 SER HB3 H 1 3.96 0.02 . 2 . . . . . . . . 5843 1 264 . 1 1 25 25 PRO CD C 13 50.6 0.1 . 1 . . . . . . . . 5843 1 265 . 1 1 25 25 PRO CA C 13 65.8 0.1 . 1 . . . . . . . . 5843 1 266 . 1 1 25 25 PRO HA H 1 4.08 0.02 . 1 . . . . . . . . 5843 1 267 . 1 1 25 25 PRO CB C 13 32.2 0.1 . 1 . . . . . . . . 5843 1 268 . 1 1 25 25 PRO HB2 H 1 2.33 0.02 . 2 . . . . . . . . 5843 1 269 . 1 1 25 25 PRO HB3 H 1 1.88 0.02 . 2 . . . . . . . . 5843 1 270 . 1 1 25 25 PRO CG C 13 28.3 0.1 . 1 . . . . . . . . 5843 1 271 . 1 1 25 25 PRO HG2 H 1 2.01 0.02 . 2 . . . . . . . . 5843 1 272 . 1 1 25 25 PRO HG3 H 1 2.18 0.02 . 2 . . . . . . . . 5843 1 273 . 1 1 25 25 PRO HD3 H 1 3.88 0.02 . 2 . . . . . . . . 5843 1 274 . 1 1 25 25 PRO C C 13 179.7 0.1 . 1 . . . . . . . . 5843 1 275 . 1 1 26 26 GLU N N 15 117.9 0.1 . 1 . . . . . . . . 5843 1 276 . 1 1 26 26 GLU H H 1 8.75 0.02 . 1 . . . . . . . . 5843 1 277 . 1 1 26 26 GLU CA C 13 60.3 0.1 . 1 . . . . . . . . 5843 1 278 . 1 1 26 26 GLU HA H 1 3.98 0.02 . 1 . . . . . . . . 5843 1 279 . 1 1 26 26 GLU CB C 13 28.6 0.1 . 1 . . . . . . . . 5843 1 280 . 1 1 26 26 GLU HB2 H 1 1.97 0.02 . 2 . . . . . . . . 5843 1 281 . 1 1 26 26 GLU HB3 H 1 1.87 0.02 . 2 . . . . . . . . 5843 1 282 . 1 1 26 26 GLU CG C 13 37.3 0.1 . 1 . . . . . . . . 5843 1 283 . 1 1 26 26 GLU HG2 H 1 2.37 0.02 . 2 . . . . . . . . 5843 1 284 . 1 1 26 26 GLU HG3 H 1 2.19 0.02 . 2 . . . . . . . . 5843 1 285 . 1 1 26 26 GLU C C 13 179.0 0.1 . 1 . . . . . . . . 5843 1 286 . 1 1 27 27 LYS N N 15 124.2 0.1 . 1 . . . . . . . . 5843 1 287 . 1 1 27 27 LYS H H 1 7.85 0.02 . 1 . . . . . . . . 5843 1 288 . 1 1 27 27 LYS CA C 13 58.0 0.1 . 1 . . . . . . . . 5843 1 289 . 1 1 27 27 LYS HA H 1 4.05 0.02 . 1 . . . . . . . . 5843 1 290 . 1 1 27 27 LYS CB C 13 30.9 0.1 . 1 . . . . . . . . 5843 1 291 . 1 1 27 27 LYS HB2 H 1 1.79 0.02 . 2 . . . . . . . . 5843 1 292 . 1 1 27 27 LYS HB3 H 1 1.97 0.02 . 2 . . . . . . . . 5843 1 293 . 1 1 27 27 LYS CG C 13 24.7 0.1 . 1 . . . . . . . . 5843 1 294 . 1 1 27 27 LYS HG2 H 1 1.27 0.02 . 2 . . . . . . . . 5843 1 295 . 1 1 27 27 LYS HG3 H 1 1.42 0.02 . 2 . . . . . . . . 5843 1 296 . 1 1 27 27 LYS CD C 13 28.3 0.1 . 1 . . . . . . . . 5843 1 297 . 1 1 27 27 LYS HD3 H 1 1.67 0.02 . 2 . . . . . . . . 5843 1 298 . 1 1 27 27 LYS CE C 13 42.2 0.1 . 1 . . . . . . . . 5843 1 299 . 1 1 27 27 LYS HE2 H 1 2.76 0.02 . 2 . . . . . . . . 5843 1 300 . 1 1 27 27 LYS HE3 H 1 2.84 0.02 . 2 . . . . . . . . 5843 1 301 . 1 1 27 27 LYS C C 13 178.4 0.1 . 1 . . . . . . . . 5843 1 302 . 1 1 28 28 ILE N N 15 120.6 0.1 . 1 . . . . . . . . 5843 1 303 . 1 1 28 28 ILE H H 1 7.94 0.02 . 1 . . . . . . . . 5843 1 304 . 1 1 28 28 ILE CA C 13 67.1 0.1 . 1 . . . . . . . . 5843 1 305 . 1 1 28 28 ILE HA H 1 2.93 0.02 . 1 . . . . . . . . 5843 1 306 . 1 1 28 28 ILE CB C 13 37.7 0.1 . 1 . . . . . . . . 5843 1 307 . 1 1 28 28 ILE HB H 1 1.47 0.02 . 1 . . . . . . . . 5843 1 308 . 1 1 28 28 ILE HG21 H 1 0.20 0.02 . 1 . . . . . . . . 5843 1 309 . 1 1 28 28 ILE HG22 H 1 0.20 0.02 . 1 . . . . . . . . 5843 1 310 . 1 1 28 28 ILE HG23 H 1 0.20 0.02 . 1 . . . . . . . . 5843 1 311 . 1 1 28 28 ILE CG2 C 13 16.6 0.1 . 1 . . . . . . . . 5843 1 312 . 1 1 28 28 ILE CG1 C 13 28.9 0.1 . 1 . . . . . . . . 5843 1 313 . 1 1 28 28 ILE HG12 H 1 1.15 0.02 . 2 . . . . . . . . 5843 1 314 . 1 1 28 28 ILE HG13 H 1 -1.03 0.02 . 2 . . . . . . . . 5843 1 315 . 1 1 28 28 ILE HD11 H 1 0.25 0.02 . 1 . . . . . . . . 5843 1 316 . 1 1 28 28 ILE HD12 H 1 0.25 0.02 . 1 . . . . . . . . 5843 1 317 . 1 1 28 28 ILE HD13 H 1 0.25 0.02 . 1 . . . . . . . . 5843 1 318 . 1 1 28 28 ILE CD1 C 13 13.7 0.1 . 1 . . . . . . . . 5843 1 319 . 1 1 28 28 ILE C C 13 177.4 0.1 . 1 . . . . . . . . 5843 1 320 . 1 1 29 29 GLU N N 15 117.6 0.1 . 1 . . . . . . . . 5843 1 321 . 1 1 29 29 GLU H H 1 7.66 0.02 . 1 . . . . . . . . 5843 1 322 . 1 1 29 29 GLU CA C 13 60.3 0.1 . 1 . . . . . . . . 5843 1 323 . 1 1 29 29 GLU HA H 1 3.69 0.02 . 1 . . . . . . . . 5843 1 324 . 1 1 29 29 GLU CB C 13 29.6 0.1 . 1 . . . . . . . . 5843 1 325 . 1 1 29 29 GLU HB3 H 1 2.03 0.02 . 2 . . . . . . . . 5843 1 326 . 1 1 29 29 GLU CG C 13 36.7 0.1 . 1 . . . . . . . . 5843 1 327 . 1 1 29 29 GLU HG2 H 1 2.13 0.02 . 2 . . . . . . . . 5843 1 328 . 1 1 29 29 GLU HG3 H 1 2.33 0.02 . 2 . . . . . . . . 5843 1 329 . 1 1 29 29 GLU C C 13 178.8 0.1 . 1 . . . . . . . . 5843 1 330 . 1 1 30 30 GLU N N 15 119.5 0.1 . 1 . . . . . . . . 5843 1 331 . 1 1 30 30 GLU H H 1 7.66 0.02 . 1 . . . . . . . . 5843 1 332 . 1 1 30 30 GLU CA C 13 59.7 0.1 . 1 . . . . . . . . 5843 1 333 . 1 1 30 30 GLU HA H 1 3.89 0.02 . 1 . . . . . . . . 5843 1 334 . 1 1 30 30 GLU CB C 13 30.2 0.1 . 1 . . . . . . . . 5843 1 335 . 1 1 30 30 GLU HB3 H 1 2.13 0.02 . 2 . . . . . . . . 5843 1 336 . 1 1 30 30 GLU CG C 13 36.4 0.1 . 1 . . . . . . . . 5843 1 337 . 1 1 30 30 GLU HG2 H 1 2.13 0.02 . 2 . . . . . . . . 5843 1 338 . 1 1 30 30 GLU HG3 H 1 2.33 0.02 . 2 . . . . . . . . 5843 1 339 . 1 1 30 30 GLU C C 13 180.2 0.1 . 1 . . . . . . . . 5843 1 340 . 1 1 31 31 LEU N N 15 122.9 0.1 . 1 . . . . . . . . 5843 1 341 . 1 1 31 31 LEU H H 1 8.52 0.02 . 1 . . . . . . . . 5843 1 342 . 1 1 31 31 LEU CA C 13 58.4 0.1 . 1 . . . . . . . . 5843 1 343 . 1 1 31 31 LEU HA H 1 4.24 0.02 . 1 . . . . . . . . 5843 1 344 . 1 1 31 31 LEU CB C 13 42.2 0.1 . 1 . . . . . . . . 5843 1 345 . 1 1 31 31 LEU HB2 H 1 2.19 0.02 . 2 . . . . . . . . 5843 1 346 . 1 1 31 31 LEU HB3 H 1 1.51 0.02 . 2 . . . . . . . . 5843 1 347 . 1 1 31 31 LEU CG C 13 27.0 0.1 . 1 . . . . . . . . 5843 1 348 . 1 1 31 31 LEU HG H 1 1.86 0.02 . 1 . . . . . . . . 5843 1 349 . 1 1 31 31 LEU HD11 H 1 0.91 0.02 . 2 . . . . . . . . 5843 1 350 . 1 1 31 31 LEU HD12 H 1 0.91 0.02 . 2 . . . . . . . . 5843 1 351 . 1 1 31 31 LEU HD13 H 1 0.91 0.02 . 2 . . . . . . . . 5843 1 352 . 1 1 31 31 LEU HD21 H 1 0.81 0.02 . 2 . . . . . . . . 5843 1 353 . 1 1 31 31 LEU HD22 H 1 0.81 0.02 . 2 . . . . . . . . 5843 1 354 . 1 1 31 31 LEU HD23 H 1 0.81 0.02 . 2 . . . . . . . . 5843 1 355 . 1 1 31 31 LEU CD1 C 13 26.3 0.1 . 1 . . . . . . . . 5843 1 356 . 1 1 31 31 LEU CD2 C 13 23.1 0.1 . 1 . . . . . . . . 5843 1 357 . 1 1 31 31 LEU C C 13 178.9 0.1 . 1 . . . . . . . . 5843 1 358 . 1 1 32 32 ILE N N 15 120.9 0.1 . 1 . . . . . . . . 5843 1 359 . 1 1 32 32 ILE H H 1 8.52 0.02 . 1 . . . . . . . . 5843 1 360 . 1 1 32 32 ILE CA C 13 67.4 0.1 . 1 . . . . . . . . 5843 1 361 . 1 1 32 32 ILE HA H 1 3.39 0.02 . 1 . . . . . . . . 5843 1 362 . 1 1 32 32 ILE CB C 13 37.7 0.1 . 1 . . . . . . . . 5843 1 363 . 1 1 32 32 ILE HB H 1 1.50 0.02 . 1 . . . . . . . . 5843 1 364 . 1 1 32 32 ILE HG21 H 1 0.16 0.02 . 1 . . . . . . . . 5843 1 365 . 1 1 32 32 ILE HG22 H 1 0.16 0.02 . 1 . . . . . . . . 5843 1 366 . 1 1 32 32 ILE HG23 H 1 0.16 0.02 . 1 . . . . . . . . 5843 1 367 . 1 1 32 32 ILE CG2 C 13 16.3 0.1 . 1 . . . . . . . . 5843 1 368 . 1 1 32 32 ILE CG1 C 13 30.2 0.1 . 1 . . . . . . . . 5843 1 369 . 1 1 32 32 ILE HG12 H 1 1.88 0.02 . 2 . . . . . . . . 5843 1 370 . 1 1 32 32 ILE HG13 H 1 0.66 0.02 . 2 . . . . . . . . 5843 1 371 . 1 1 32 32 ILE HD11 H 1 -0.12 0.02 . 1 . . . . . . . . 5843 1 372 . 1 1 32 32 ILE HD12 H 1 -0.12 0.02 . 1 . . . . . . . . 5843 1 373 . 1 1 32 32 ILE HD13 H 1 -0.12 0.02 . 1 . . . . . . . . 5843 1 374 . 1 1 32 32 ILE CD1 C 13 13.1 0.1 . 1 . . . . . . . . 5843 1 375 . 1 1 32 32 ILE C C 13 177.7 0.1 . 1 . . . . . . . . 5843 1 376 . 1 1 33 33 LYS N N 15 118.7 0.1 . 1 . . . . . . . . 5843 1 377 . 1 1 33 33 LYS H H 1 7.87 0.02 . 1 . . . . . . . . 5843 1 378 . 1 1 33 33 LYS CA C 13 60.6 0.1 . 1 . . . . . . . . 5843 1 379 . 1 1 33 33 LYS HA H 1 3.73 0.02 . 1 . . . . . . . . 5843 1 380 . 1 1 33 33 LYS CB C 13 32.5 0.1 . 1 . . . . . . . . 5843 1 381 . 1 1 33 33 LYS HB2 H 1 1.77 0.02 . 2 . . . . . . . . 5843 1 382 . 1 1 33 33 LYS HB3 H 1 1.73 0.02 . 2 . . . . . . . . 5843 1 383 . 1 1 33 33 LYS CG C 13 26.3 0.1 . 1 . . . . . . . . 5843 1 384 . 1 1 33 33 LYS HG2 H 1 1.53 0.02 . 2 . . . . . . . . 5843 1 385 . 1 1 33 33 LYS HG3 H 1 1.22 0.02 . 2 . . . . . . . . 5843 1 386 . 1 1 33 33 LYS CD C 13 29.9 0.1 . 1 . . . . . . . . 5843 1 387 . 1 1 33 33 LYS HD2 H 1 1.61 0.02 . 2 . . . . . . . . 5843 1 388 . 1 1 33 33 LYS HD3 H 1 1.59 0.02 . 2 . . . . . . . . 5843 1 389 . 1 1 33 33 LYS CE C 13 42.5 0.1 . 1 . . . . . . . . 5843 1 390 . 1 1 33 33 LYS HE2 H 1 2.87 0.02 . 2 . . . . . . . . 5843 1 391 . 1 1 33 33 LYS HE3 H 1 2.86 0.02 . 2 . . . . . . . . 5843 1 392 . 1 1 33 33 LYS C C 13 179.4 0.1 . 1 . . . . . . . . 5843 1 393 . 1 1 34 34 GLY N N 15 107.6 0.1 . 1 . . . . . . . . 5843 1 394 . 1 1 34 34 GLY H H 1 8.00 0.02 . 1 . . . . . . . . 5843 1 395 . 1 1 34 34 GLY CA C 13 47.0 0.1 . 1 . . . . . . . . 5843 1 396 . 1 1 34 34 GLY HA2 H 1 3.54 0.02 . 2 . . . . . . . . 5843 1 397 . 1 1 34 34 GLY HA3 H 1 3.53 0.02 . 2 . . . . . . . . 5843 1 398 . 1 1 34 34 GLY C C 13 174.7 0.1 . 1 . . . . . . . . 5843 1 399 . 1 1 35 35 TYR N N 15 126.5 0.1 . 1 . . . . . . . . 5843 1 400 . 1 1 35 35 TYR H H 1 7.81 0.02 . 1 . . . . . . . . 5843 1 401 . 1 1 35 35 TYR CA C 13 57.4 0.1 . 1 . . . . . . . . 5843 1 402 . 1 1 35 35 TYR HA H 1 2.90 0.02 . 1 . . . . . . . . 5843 1 403 . 1 1 35 35 TYR CB C 13 38.0 0.1 . 1 . . . . . . . . 5843 1 404 . 1 1 35 35 TYR HB2 H 1 2.72 0.02 . 2 . . . . . . . . 5843 1 405 . 1 1 35 35 TYR HB3 H 1 2.48 0.02 . 2 . . . . . . . . 5843 1 406 . 1 1 35 35 TYR HD1 H 1 6.20 0.02 . 1 . . . . . . . . 5843 1 407 . 1 1 35 35 TYR HD2 H 1 6.20 0.02 . 1 . . . . . . . . 5843 1 408 . 1 1 35 35 TYR HE1 H 1 6.56 0.02 . 1 . . . . . . . . 5843 1 409 . 1 1 35 35 TYR HE2 H 1 6.56 0.02 . 1 . . . . . . . . 5843 1 410 . 1 1 35 35 TYR CD1 C 13 131.5 0.1 . 1 . . . . . . . . 5843 1 411 . 1 1 35 35 TYR CE1 C 13 120.7 0.1 . 1 . . . . . . . . 5843 1 412 . 1 1 35 35 TYR C C 13 178.7 0.1 . 1 . . . . . . . . 5843 1 413 . 1 1 36 36 ALA N N 15 119.1 0.1 . 1 . . . . . . . . 5843 1 414 . 1 1 36 36 ALA H H 1 7.74 0.02 . 1 . . . . . . . . 5843 1 415 . 1 1 36 36 ALA CA C 13 54.5 0.1 . 1 . . . . . . . . 5843 1 416 . 1 1 36 36 ALA HA H 1 2.74 0.02 . 1 . . . . . . . . 5843 1 417 . 1 1 36 36 ALA HB1 H 1 1.26 0.02 . 1 . . . . . . . . 5843 1 418 . 1 1 36 36 ALA HB2 H 1 1.26 0.02 . 1 . . . . . . . . 5843 1 419 . 1 1 36 36 ALA HB3 H 1 1.26 0.02 . 1 . . . . . . . . 5843 1 420 . 1 1 36 36 ALA CB C 13 18.9 0.1 . 1 . . . . . . . . 5843 1 421 . 1 1 36 36 ALA C C 13 181.0 0.1 . 1 . . . . . . . . 5843 1 422 . 1 1 37 37 ASN N N 15 114.4 0.1 . 1 . . . . . . . . 5843 1 423 . 1 1 37 37 ASN H H 1 7.71 0.02 . 1 . . . . . . . . 5843 1 424 . 1 1 37 37 ASN CA C 13 54.5 0.1 . 1 . . . . . . . . 5843 1 425 . 1 1 37 37 ASN HA H 1 4.28 0.02 . 1 . . . . . . . . 5843 1 426 . 1 1 37 37 ASN CB C 13 39.0 0.1 . 1 . . . . . . . . 5843 1 427 . 1 1 37 37 ASN HB2 H 1 2.61 0.02 . 1 . . . . . . . . 5843 1 428 . 1 1 37 37 ASN HB3 H 1 2.61 0.02 . 1 . . . . . . . . 5843 1 429 . 1 1 37 37 ASN ND2 N 15 115.0 0.1 . 1 . . . . . . . . 5843 1 430 . 1 1 37 37 ASN HD21 H 1 7.68 0.02 . 2 . . . . . . . . 5843 1 431 . 1 1 37 37 ASN HD22 H 1 6.90 0.02 . 2 . . . . . . . . 5843 1 432 . 1 1 37 37 ASN C C 13 177.0 0.1 . 1 . . . . . . . . 5843 1 433 . 1 1 38 38 LEU N N 15 118.4 0.1 . 1 . . . . . . . . 5843 1 434 . 1 1 38 38 LEU H H 1 7.57 0.02 . 1 . . . . . . . . 5843 1 435 . 1 1 38 38 LEU CA C 13 58.0 0.1 . 1 . . . . . . . . 5843 1 436 . 1 1 38 38 LEU HA H 1 3.73 0.02 . 1 . . . . . . . . 5843 1 437 . 1 1 38 38 LEU CB C 13 40.9 0.1 . 1 . . . . . . . . 5843 1 438 . 1 1 38 38 LEU HB2 H 1 2.03 0.02 . 2 . . . . . . . . 5843 1 439 . 1 1 38 38 LEU HB3 H 1 1.35 0.02 . 2 . . . . . . . . 5843 1 440 . 1 1 38 38 LEU CG C 13 26.0 0.1 . 1 . . . . . . . . 5843 1 441 . 1 1 38 38 LEU HG H 1 1.73 0.02 . 1 . . . . . . . . 5843 1 442 . 1 1 38 38 LEU HD11 H 1 0.78 0.02 . 2 . . . . . . . . 5843 1 443 . 1 1 38 38 LEU HD12 H 1 0.78 0.02 . 2 . . . . . . . . 5843 1 444 . 1 1 38 38 LEU HD13 H 1 0.78 0.02 . 2 . . . . . . . . 5843 1 445 . 1 1 38 38 LEU HD21 H 1 0.51 0.02 . 2 . . . . . . . . 5843 1 446 . 1 1 38 38 LEU HD22 H 1 0.51 0.02 . 2 . . . . . . . . 5843 1 447 . 1 1 38 38 LEU HD23 H 1 0.51 0.02 . 2 . . . . . . . . 5843 1 448 . 1 1 38 38 LEU CD1 C 13 26.7 0.1 . 1 . . . . . . . . 5843 1 449 . 1 1 38 38 LEU CD2 C 13 22.1 0.1 . 1 . . . . . . . . 5843 1 450 . 1 1 38 38 LEU C C 13 178.0 0.1 . 1 . . . . . . . . 5843 1 451 . 1 1 39 39 VAL N N 15 118.0 0.1 . 1 . . . . . . . . 5843 1 452 . 1 1 39 39 VAL H H 1 7.26 0.02 . 1 . . . . . . . . 5843 1 453 . 1 1 39 39 VAL CA C 13 65.5 0.1 . 1 . . . . . . . . 5843 1 454 . 1 1 39 39 VAL HA H 1 3.37 0.02 . 1 . . . . . . . . 5843 1 455 . 1 1 39 39 VAL CB C 13 32.2 0.1 . 1 . . . . . . . . 5843 1 456 . 1 1 39 39 VAL HB H 1 1.77 0.02 . 1 . . . . . . . . 5843 1 457 . 1 1 39 39 VAL HG11 H 1 0.78 0.02 . 2 . . . . . . . . 5843 1 458 . 1 1 39 39 VAL HG12 H 1 0.78 0.02 . 2 . . . . . . . . 5843 1 459 . 1 1 39 39 VAL HG13 H 1 0.78 0.02 . 2 . . . . . . . . 5843 1 460 . 1 1 39 39 VAL HG21 H 1 0.70 0.02 . 2 . . . . . . . . 5843 1 461 . 1 1 39 39 VAL HG22 H 1 0.70 0.02 . 2 . . . . . . . . 5843 1 462 . 1 1 39 39 VAL HG23 H 1 0.70 0.02 . 2 . . . . . . . . 5843 1 463 . 1 1 39 39 VAL CG1 C 13 23.4 0.1 . 1 . . . . . . . . 5843 1 464 . 1 1 39 39 VAL CG2 C 13 21.2 0.1 . 1 . . . . . . . . 5843 1 465 . 1 1 39 39 VAL C C 13 177.2 0.1 . 1 . . . . . . . . 5843 1 466 . 1 1 40 40 ASN N N 15 112.9 0.1 . 1 . . . . . . . . 5843 1 467 . 1 1 40 40 ASN H H 1 7.13 0.02 . 1 . . . . . . . . 5843 1 468 . 1 1 40 40 ASN CA C 13 54.5 0.1 . 1 . . . . . . . . 5843 1 469 . 1 1 40 40 ASN HA H 1 4.45 0.02 . 1 . . . . . . . . 5843 1 470 . 1 1 40 40 ASN CB C 13 39.0 0.1 . 1 . . . . . . . . 5843 1 471 . 1 1 40 40 ASN HB2 H 1 2.72 0.02 . 2 . . . . . . . . 5843 1 472 . 1 1 40 40 ASN HB3 H 1 2.65 0.02 . 2 . . . . . . . . 5843 1 473 . 1 1 40 40 ASN ND2 N 15 114.8 0.1 . 1 . . . . . . . . 5843 1 474 . 1 1 40 40 ASN HD21 H 1 6.88 0.02 . 2 . . . . . . . . 5843 1 475 . 1 1 40 40 ASN HD22 H 1 7.75 0.02 . 2 . . . . . . . . 5843 1 476 . 1 1 40 40 ASN C C 13 176.7 0.1 . 1 . . . . . . . . 5843 1 477 . 1 1 41 41 LEU N N 15 118.1 0.1 . 1 . . . . . . . . 5843 1 478 . 1 1 41 41 LEU H H 1 7.18 0.02 . 1 . . . . . . . . 5843 1 479 . 1 1 41 41 LEU CA C 13 56.1 0.1 . 1 . . . . . . . . 5843 1 480 . 1 1 41 41 LEU HA H 1 4.20 0.02 . 1 . . . . . . . . 5843 1 481 . 1 1 41 41 LEU CB C 13 44.5 0.1 . 1 . . . . . . . . 5843 1 482 . 1 1 41 41 LEU HB2 H 1 1.43 0.02 . 2 . . . . . . . . 5843 1 483 . 1 1 41 41 LEU HB3 H 1 1.32 0.02 . 2 . . . . . . . . 5843 1 484 . 1 1 41 41 LEU CG C 13 26.7 0.1 . 1 . . . . . . . . 5843 1 485 . 1 1 41 41 LEU HG H 1 1.56 0.02 . 1 . . . . . . . . 5843 1 486 . 1 1 41 41 LEU HD11 H 1 0.74 0.02 . 2 . . . . . . . . 5843 1 487 . 1 1 41 41 LEU HD12 H 1 0.74 0.02 . 2 . . . . . . . . 5843 1 488 . 1 1 41 41 LEU HD13 H 1 0.74 0.02 . 2 . . . . . . . . 5843 1 489 . 1 1 41 41 LEU HD21 H 1 0.73 0.02 . 2 . . . . . . . . 5843 1 490 . 1 1 41 41 LEU HD22 H 1 0.73 0.02 . 2 . . . . . . . . 5843 1 491 . 1 1 41 41 LEU HD23 H 1 0.73 0.02 . 2 . . . . . . . . 5843 1 492 . 1 1 41 41 LEU CD1 C 13 22.5 0.1 . 1 . . . . . . . . 5843 1 493 . 1 1 41 41 LEU CD2 C 13 26.0 0.1 . 1 . . . . . . . . 5843 1 494 . 1 1 41 41 LEU C C 13 176.4 0.1 . 1 . . . . . . . . 5843 1 495 . 1 1 42 42 ILE N N 15 118.6 0.1 . 1 . . . . . . . . 5843 1 496 . 1 1 42 42 ILE H H 1 7.94 0.02 . 1 . . . . . . . . 5843 1 497 . 1 1 42 42 ILE CA C 13 61.0 0.1 . 1 . . . . . . . . 5843 1 498 . 1 1 42 42 ILE HA H 1 3.82 0.02 . 1 . . . . . . . . 5843 1 499 . 1 1 42 42 ILE CB C 13 37.7 0.1 . 1 . . . . . . . . 5843 1 500 . 1 1 42 42 ILE HB H 1 1.93 0.02 . 1 . . . . . . . . 5843 1 501 . 1 1 42 42 ILE HG21 H 1 0.84 0.02 . 1 . . . . . . . . 5843 1 502 . 1 1 42 42 ILE HG22 H 1 0.84 0.02 . 1 . . . . . . . . 5843 1 503 . 1 1 42 42 ILE HG23 H 1 0.84 0.02 . 1 . . . . . . . . 5843 1 504 . 1 1 42 42 ILE CG2 C 13 17.3 0.1 . 1 . . . . . . . . 5843 1 505 . 1 1 42 42 ILE CG1 C 13 25.4 0.1 . 1 . . . . . . . . 5843 1 506 . 1 1 42 42 ILE HG12 H 1 1.24 0.02 . 2 . . . . . . . . 5843 1 507 . 1 1 42 42 ILE HG13 H 1 -0.55 0.02 . 2 . . . . . . . . 5843 1 508 . 1 1 42 42 ILE HD11 H 1 0.78 0.02 . 1 . . . . . . . . 5843 1 509 . 1 1 42 42 ILE HD12 H 1 0.78 0.02 . 1 . . . . . . . . 5843 1 510 . 1 1 42 42 ILE HD13 H 1 0.78 0.02 . 1 . . . . . . . . 5843 1 511 . 1 1 42 42 ILE C C 13 176.4 0.1 . 1 . . . . . . . . 5843 1 512 . 1 1 43 43 GLU N N 15 131.4 0.1 . 1 . . . . . . . . 5843 1 513 . 1 1 43 43 GLU H H 1 9.35 0.02 . 1 . . . . . . . . 5843 1 514 . 1 1 43 43 GLU CA C 13 61.6 0.1 . 1 . . . . . . . . 5843 1 515 . 1 1 43 43 GLU HA H 1 4.20 0.02 . 1 . . . . . . . . 5843 1 516 . 1 1 43 43 GLU CB C 13 26.7 0.1 . 1 . . . . . . . . 5843 1 517 . 1 1 43 43 GLU HB3 H 1 2.07 0.02 . 2 . . . . . . . . 5843 1 518 . 1 1 43 43 GLU CG C 13 36.4 0.1 . 1 . . . . . . . . 5843 1 519 . 1 1 43 43 GLU HG2 H 1 2.19 0.02 . 2 . . . . . . . . 5843 1 520 . 1 1 43 43 GLU HG3 H 1 2.27 0.02 . 2 . . . . . . . . 5843 1 521 . 1 1 44 44 PRO CD C 13 50.3 0.1 . 1 . . . . . . . . 5843 1 522 . 1 1 44 44 PRO CA C 13 64.8 0.1 . 1 . . . . . . . . 5843 1 523 . 1 1 44 44 PRO HA H 1 4.31 0.02 . 1 . . . . . . . . 5843 1 524 . 1 1 44 44 PRO CB C 13 32.5 0.1 . 1 . . . . . . . . 5843 1 525 . 1 1 44 44 PRO HB2 H 1 2.52 0.02 . 2 . . . . . . . . 5843 1 526 . 1 1 44 44 PRO HB3 H 1 1.99 0.02 . 2 . . . . . . . . 5843 1 527 . 1 1 44 44 PRO CG C 13 27.6 0.1 . 1 . . . . . . . . 5843 1 528 . 1 1 44 44 PRO HG2 H 1 1.71 0.02 . 2 . . . . . . . . 5843 1 529 . 1 1 44 44 PRO HG3 H 1 2.10 0.02 . 2 . . . . . . . . 5843 1 530 . 1 1 44 44 PRO HD2 H 1 4.00 0.02 . 2 . . . . . . . . 5843 1 531 . 1 1 44 44 PRO HD3 H 1 3.63 0.02 . 2 . . . . . . . . 5843 1 532 . 1 1 44 44 PRO C C 13 176.3 0.1 . 1 . . . . . . . . 5843 1 533 . 1 1 45 45 MET N N 15 118.1 0.1 . 1 . . . . . . . . 5843 1 534 . 1 1 45 45 MET H H 1 6.95 0.02 . 1 . . . . . . . . 5843 1 535 . 1 1 45 45 MET CA C 13 56.4 0.1 . 1 . . . . . . . . 5843 1 536 . 1 1 45 45 MET HA H 1 3.35 0.02 . 1 . . . . . . . . 5843 1 537 . 1 1 45 45 MET CB C 13 32.8 0.1 . 1 . . . . . . . . 5843 1 538 . 1 1 45 45 MET HB2 H 1 2.10 0.02 . 2 . . . . . . . . 5843 1 539 . 1 1 45 45 MET HB3 H 1 1.33 0.02 . 2 . . . . . . . . 5843 1 540 . 1 1 45 45 MET CG C 13 32.2 0.1 . 1 . . . . . . . . 5843 1 541 . 1 1 45 45 MET HG3 H 1 1.77 0.02 . 2 . . . . . . . . 5843 1 542 . 1 1 45 45 MET HE1 H 1 2.01 0.02 . 1 . . . . . . . . 5843 1 543 . 1 1 45 45 MET HE2 H 1 2.01 0.02 . 1 . . . . . . . . 5843 1 544 . 1 1 45 45 MET HE3 H 1 2.01 0.02 . 1 . . . . . . . . 5843 1 545 . 1 1 45 45 MET CE C 13 18.3 0.1 . 1 . . . . . . . . 5843 1 546 . 1 1 45 45 MET C C 13 175.1 0.1 . 1 . . . . . . . . 5843 1 547 . 1 1 46 46 LYS N N 15 124.1 0.1 . 1 . . . . . . . . 5843 1 548 . 1 1 46 46 LYS H H 1 7.96 0.02 . 1 . . . . . . . . 5843 1 549 . 1 1 46 46 LYS CA C 13 55.8 0.1 . 1 . . . . . . . . 5843 1 550 . 1 1 46 46 LYS HA H 1 4.31 0.02 . 1 . . . . . . . . 5843 1 551 . 1 1 46 46 LYS CB C 13 32.8 0.1 . 1 . . . . . . . . 5843 1 552 . 1 1 46 46 LYS HB2 H 1 1.64 0.02 . 2 . . . . . . . . 5843 1 553 . 1 1 46 46 LYS HB3 H 1 1.32 0.02 . 2 . . . . . . . . 5843 1 554 . 1 1 46 46 LYS CG C 13 23.1 0.1 . 1 . . . . . . . . 5843 1 555 . 1 1 46 46 LYS HG2 H 1 1.43 0.02 . 2 . . . . . . . . 5843 1 556 . 1 1 46 46 LYS HG3 H 1 1.33 0.02 . 2 . . . . . . . . 5843 1 557 . 1 1 46 46 LYS CD C 13 28.0 0.1 . 1 . . . . . . . . 5843 1 558 . 1 1 46 46 LYS HD2 H 1 1.37 0.02 . 2 . . . . . . . . 5843 1 559 . 1 1 46 46 LYS HD3 H 1 1.34 0.02 . 2 . . . . . . . . 5843 1 560 . 1 1 46 46 LYS CE C 13 42.5 0.1 . 1 . . . . . . . . 5843 1 561 . 1 1 46 46 LYS HE3 H 1 2.84 0.02 . 2 . . . . . . . . 5843 1 562 . 1 1 46 46 LYS C C 13 177.4 0.1 . 1 . . . . . . . . 5843 1 563 . 1 1 47 47 ALA N N 15 117.0 0.1 . 1 . . . . . . . . 5843 1 564 . 1 1 47 47 ALA H H 1 7.15 0.02 . 1 . . . . . . . . 5843 1 565 . 1 1 47 47 ALA CA C 13 51.9 0.1 . 1 . . . . . . . . 5843 1 566 . 1 1 47 47 ALA HA H 1 4.47 0.02 . 1 . . . . . . . . 5843 1 567 . 1 1 47 47 ALA HB1 H 1 1.23 0.02 . 1 . . . . . . . . 5843 1 568 . 1 1 47 47 ALA HB2 H 1 1.23 0.02 . 1 . . . . . . . . 5843 1 569 . 1 1 47 47 ALA HB3 H 1 1.23 0.02 . 1 . . . . . . . . 5843 1 570 . 1 1 47 47 ALA CB C 13 22.1 0.1 . 1 . . . . . . . . 5843 1 571 . 1 1 47 47 ALA C C 13 174.7 0.1 . 1 . . . . . . . . 5843 1 572 . 1 1 48 48 PHE N N 15 120.5 0.1 . 1 . . . . . . . . 5843 1 573 . 1 1 48 48 PHE H H 1 8.48 0.02 . 1 . . . . . . . . 5843 1 574 . 1 1 48 48 PHE CA C 13 57.4 0.1 . 1 . . . . . . . . 5843 1 575 . 1 1 48 48 PHE HA H 1 5.30 0.02 . 1 . . . . . . . . 5843 1 576 . 1 1 48 48 PHE CB C 13 43.8 0.1 . 1 . . . . . . . . 5843 1 577 . 1 1 48 48 PHE HB2 H 1 2.83 0.02 . 2 . . . . . . . . 5843 1 578 . 1 1 48 48 PHE HB3 H 1 2.62 0.02 . 2 . . . . . . . . 5843 1 579 . 1 1 48 48 PHE HD1 H 1 6.98 0.02 . 1 . . . . . . . . 5843 1 580 . 1 1 48 48 PHE HD2 H 1 6.98 0.02 . 1 . . . . . . . . 5843 1 581 . 1 1 48 48 PHE HE1 H 1 6.41 0.02 . 1 . . . . . . . . 5843 1 582 . 1 1 48 48 PHE HE2 H 1 6.41 0.02 . 1 . . . . . . . . 5843 1 583 . 1 1 48 48 PHE CD1 C 13 131.5 0.1 . 1 . . . . . . . . 5843 1 584 . 1 1 48 48 PHE CE1 C 13 130.7 0.1 . 1 . . . . . . . . 5843 1 585 . 1 1 48 48 PHE CZ C 13 129.3 0.1 . 1 . . . . . . . . 5843 1 586 . 1 1 48 48 PHE HZ H 1 6.84 0.02 . 1 . . . . . . . . 5843 1 587 . 1 1 48 48 PHE C C 13 174.1 0.1 . 1 . . . . . . . . 5843 1 588 . 1 1 49 49 HIS N N 15 124.8 0.1 . 1 . . . . . . . . 5843 1 589 . 1 1 49 49 HIS H H 1 8.29 0.02 . 1 . . . . . . . . 5843 1 590 . 1 1 49 49 HIS CA C 13 56.1 0.1 . 1 . . . . . . . . 5843 1 591 . 1 1 49 49 HIS HA H 1 4.69 0.02 . 1 . . . . . . . . 5843 1 592 . 1 1 49 49 HIS CB C 13 32.8 0.1 . 1 . . . . . . . . 5843 1 593 . 1 1 49 49 HIS HB2 H 1 2.92 0.02 . 2 . . . . . . . . 5843 1 594 . 1 1 49 49 HIS HB3 H 1 2.89 0.02 . 2 . . . . . . . . 5843 1 595 . 1 1 49 49 HIS CD2 C 13 120.7 0.1 . 1 . . . . . . . . 5843 1 596 . 1 1 49 49 HIS CE1 C 13 137.9 0.1 . 1 . . . . . . . . 5843 1 597 . 1 1 49 49 HIS HD2 H 1 6.47 0.02 . 1 . . . . . . . . 5843 1 598 . 1 1 49 49 HIS HE1 H 1 7.57 0.02 . 1 . . . . . . . . 5843 1 599 . 1 1 49 49 HIS C C 13 171.1 0.1 . 1 . . . . . . . . 5843 1 600 . 1 1 50 50 TRP N N 15 117.0 0.1 . 1 . . . . . . . . 5843 1 601 . 1 1 50 50 TRP H H 1 8.94 0.02 . 1 . . . . . . . . 5843 1 602 . 1 1 50 50 TRP CA C 13 54.8 0.1 . 1 . . . . . . . . 5843 1 603 . 1 1 50 50 TRP HA H 1 5.49 0.02 . 1 . . . . . . . . 5843 1 604 . 1 1 50 50 TRP CB C 13 34.4 0.1 . 1 . . . . . . . . 5843 1 605 . 1 1 50 50 TRP HB2 H 1 3.47 0.02 . 2 . . . . . . . . 5843 1 606 . 1 1 50 50 TRP HB3 H 1 2.87 0.02 . 2 . . . . . . . . 5843 1 607 . 1 1 50 50 TRP CD1 C 13 126.6 0.1 . 1 . . . . . . . . 5843 1 608 . 1 1 50 50 TRP CE3 C 13 120.3 0.1 . 1 . . . . . . . . 5843 1 609 . 1 1 50 50 TRP NE1 N 15 129.7 0.1 . 1 . . . . . . . . 5843 1 610 . 1 1 50 50 TRP HD1 H 1 6.95 0.02 . 1 . . . . . . . . 5843 1 611 . 1 1 50 50 TRP HE3 H 1 7.33 0.02 . 1 . . . . . . . . 5843 1 612 . 1 1 50 50 TRP CZ3 C 13 122.0 0.1 . 1 . . . . . . . . 5843 1 613 . 1 1 50 50 TRP CZ2 C 13 114.6 0.1 . 1 . . . . . . . . 5843 1 614 . 1 1 50 50 TRP HE1 H 1 10.01 0.02 . 1 . . . . . . . . 5843 1 615 . 1 1 50 50 TRP HZ3 H 1 6.95 0.02 . 1 . . . . . . . . 5843 1 616 . 1 1 50 50 TRP CH2 C 13 124.0 0.1 . 1 . . . . . . . . 5843 1 617 . 1 1 50 50 TRP HZ2 H 1 7.56 0.02 . 1 . . . . . . . . 5843 1 618 . 1 1 50 50 TRP HH2 H 1 7.23 0.02 . 1 . . . . . . . . 5843 1 619 . 1 1 50 50 TRP C C 13 174.0 0.1 . 1 . . . . . . . . 5843 1 620 . 1 1 51 51 GLY N N 15 104.5 0.1 . 1 . . . . . . . . 5843 1 621 . 1 1 51 51 GLY H H 1 8.74 0.02 . 1 . . . . . . . . 5843 1 622 . 1 1 51 51 GLY CA C 13 46.4 0.1 . 1 . . . . . . . . 5843 1 623 . 1 1 51 51 GLY HA2 H 1 3.47 0.02 . 2 . . . . . . . . 5843 1 624 . 1 1 51 51 GLY HA3 H 1 3.53 0.02 . 2 . . . . . . . . 5843 1 625 . 1 1 51 51 GLY C C 13 170.5 0.1 . 1 . . . . . . . . 5843 1 626 . 1 1 52 52 LYS N N 15 119.5 0.1 . 1 . . . . . . . . 5843 1 627 . 1 1 52 52 LYS H H 1 7.59 0.02 . 1 . . . . . . . . 5843 1 628 . 1 1 52 52 LYS CA C 13 53.8 0.1 . 1 . . . . . . . . 5843 1 629 . 1 1 52 52 LYS HA H 1 4.88 0.02 . 1 . . . . . . . . 5843 1 630 . 1 1 52 52 LYS CB C 13 35.7 0.1 . 1 . . . . . . . . 5843 1 631 . 1 1 52 52 LYS HB2 H 1 1.43 0.02 . 2 . . . . . . . . 5843 1 632 . 1 1 52 52 LYS HB3 H 1 1.64 0.02 . 2 . . . . . . . . 5843 1 633 . 1 1 52 52 LYS CG C 13 25.0 0.1 . 1 . . . . . . . . 5843 1 634 . 1 1 52 52 LYS HG2 H 1 1.18 0.02 . 2 . . . . . . . . 5843 1 635 . 1 1 52 52 LYS HG3 H 1 1.28 0.02 . 2 . . . . . . . . 5843 1 636 . 1 1 52 52 LYS CD C 13 29.6 0.1 . 1 . . . . . . . . 5843 1 637 . 1 1 52 52 LYS HD3 H 1 1.61 0.02 . 2 . . . . . . . . 5843 1 638 . 1 1 52 52 LYS CE C 13 42.5 0.1 . 1 . . . . . . . . 5843 1 639 . 1 1 52 52 LYS HE3 H 1 3.03 0.02 . 2 . . . . . . . . 5843 1 640 . 1 1 52 52 LYS C C 13 175.8 0.1 . 1 . . . . . . . . 5843 1 641 . 1 1 53 53 ASP N N 15 123.2 0.1 . 1 . . . . . . . . 5843 1 642 . 1 1 53 53 ASP H H 1 8.53 0.02 . 1 . . . . . . . . 5843 1 643 . 1 1 53 53 ASP CA C 13 55.8 0.1 . 1 . . . . . . . . 5843 1 644 . 1 1 53 53 ASP HA H 1 5.20 0.02 . 1 . . . . . . . . 5843 1 645 . 1 1 53 53 ASP CB C 13 41.5 0.1 . 1 . . . . . . . . 5843 1 646 . 1 1 53 53 ASP HB2 H 1 2.62 0.02 . 2 . . . . . . . . 5843 1 647 . 1 1 53 53 ASP HB3 H 1 2.42 0.02 . 2 . . . . . . . . 5843 1 648 . 1 1 53 53 ASP C C 13 178.0 0.1 . 1 . . . . . . . . 5843 1 649 . 1 1 54 54 VAL N N 15 120.1 0.1 . 1 . . . . . . . . 5843 1 650 . 1 1 54 54 VAL H H 1 9.15 0.02 . 1 . . . . . . . . 5843 1 651 . 1 1 54 54 VAL CA C 13 60.6 0.1 . 1 . . . . . . . . 5843 1 652 . 1 1 54 54 VAL HA H 1 4.61 0.02 . 1 . . . . . . . . 5843 1 653 . 1 1 54 54 VAL CB C 13 32.5 0.1 . 1 . . . . . . . . 5843 1 654 . 1 1 54 54 VAL HB H 1 2.41 0.02 . 1 . . . . . . . . 5843 1 655 . 1 1 54 54 VAL HG11 H 1 0.91 0.02 . 2 . . . . . . . . 5843 1 656 . 1 1 54 54 VAL HG12 H 1 0.91 0.02 . 2 . . . . . . . . 5843 1 657 . 1 1 54 54 VAL HG13 H 1 0.91 0.02 . 2 . . . . . . . . 5843 1 658 . 1 1 54 54 VAL HG21 H 1 0.62 0.02 . 2 . . . . . . . . 5843 1 659 . 1 1 54 54 VAL HG22 H 1 0.62 0.02 . 2 . . . . . . . . 5843 1 660 . 1 1 54 54 VAL HG23 H 1 0.62 0.02 . 2 . . . . . . . . 5843 1 661 . 1 1 54 54 VAL CG1 C 13 21.5 0.1 . 1 . . . . . . . . 5843 1 662 . 1 1 54 54 VAL CG2 C 13 17.6 0.1 . 1 . . . . . . . . 5843 1 663 . 1 1 54 54 VAL C C 13 177.1 0.1 . 1 . . . . . . . . 5843 1 664 . 1 1 55 55 SER N N 15 120.1 0.1 . 1 . . . . . . . . 5843 1 665 . 1 1 55 55 SER H H 1 8.92 0.02 . 1 . . . . . . . . 5843 1 666 . 1 1 55 55 SER CA C 13 60.0 0.1 . 1 . . . . . . . . 5843 1 667 . 1 1 55 55 SER HA H 1 3.80 0.02 . 1 . . . . . . . . 5843 1 668 . 1 1 55 55 SER CB C 13 63.9 0.1 . 1 . . . . . . . . 5843 1 669 . 1 1 56 56 ILE N N 15 112.7 0.1 . 1 . . . . . . . . 5843 1 670 . 1 1 56 56 ILE H H 1 8.50 0.02 . 1 . . . . . . . . 5843 1 671 . 1 1 56 56 ILE CA C 13 61.6 0.1 . 1 . . . . . . . . 5843 1 672 . 1 1 56 56 ILE HA H 1 4.69 0.02 . 1 . . . . . . . . 5843 1 673 . 1 1 56 56 ILE CB C 13 39.9 0.1 . 1 . . . . . . . . 5843 1 674 . 1 1 56 56 ILE HB H 1 2.08 0.02 . 1 . . . . . . . . 5843 1 675 . 1 1 56 56 ILE HG21 H 1 0.87 0.02 . 1 . . . . . . . . 5843 1 676 . 1 1 56 56 ILE HG22 H 1 0.87 0.02 . 1 . . . . . . . . 5843 1 677 . 1 1 56 56 ILE HG23 H 1 0.87 0.02 . 1 . . . . . . . . 5843 1 678 . 1 1 56 56 ILE CG2 C 13 17.9 0.1 . 1 . . . . . . . . 5843 1 679 . 1 1 56 56 ILE CG1 C 13 26.0 0.1 . 1 . . . . . . . . 5843 1 680 . 1 1 56 56 ILE HG13 H 1 1.12 0.02 . 2 . . . . . . . . 5843 1 681 . 1 1 56 56 ILE HD11 H 1 0.77 0.02 . 1 . . . . . . . . 5843 1 682 . 1 1 56 56 ILE HD12 H 1 0.77 0.02 . 1 . . . . . . . . 5843 1 683 . 1 1 56 56 ILE HD13 H 1 0.77 0.02 . 1 . . . . . . . . 5843 1 684 . 1 1 56 56 ILE CD1 C 13 14.0 0.1 . 1 . . . . . . . . 5843 1 685 . 1 1 57 57 GLU CA C 13 58.0 0.1 . 1 . . . . . . . . 5843 1 686 . 1 1 57 57 GLU HA H 1 4.13 0.02 . 1 . . . . . . . . 5843 1 687 . 1 1 57 57 GLU CB C 13 32.5 0.1 . 1 . . . . . . . . 5843 1 688 . 1 1 57 57 GLU HB2 H 1 2.27 0.02 . 2 . . . . . . . . 5843 1 689 . 1 1 57 57 GLU HB3 H 1 1.87 0.02 . 2 . . . . . . . . 5843 1 690 . 1 1 57 57 GLU CG C 13 39.0 0.1 . 1 . . . . . . . . 5843 1 691 . 1 1 57 57 GLU HG2 H 1 2.18 0.02 . 1 . . . . . . . . 5843 1 692 . 1 1 57 57 GLU HG3 H 1 2.18 0.02 . 1 . . . . . . . . 5843 1 693 . 1 1 57 57 GLU C C 13 175.4 0.1 . 1 . . . . . . . . 5843 1 694 . 1 1 58 58 ASN N N 15 117.3 0.1 . 1 . . . . . . . . 5843 1 695 . 1 1 58 58 ASN H H 1 9.37 0.02 . 1 . . . . . . . . 5843 1 696 . 1 1 58 58 ASN CA C 13 54.2 0.1 . 1 . . . . . . . . 5843 1 697 . 1 1 58 58 ASN HA H 1 4.20 0.02 . 1 . . . . . . . . 5843 1 698 . 1 1 58 58 ASN CB C 13 37.7 0.1 . 1 . . . . . . . . 5843 1 699 . 1 1 58 58 ASN HB2 H 1 2.98 0.02 . 2 . . . . . . . . 5843 1 700 . 1 1 58 58 ASN HB3 H 1 2.64 0.02 . 2 . . . . . . . . 5843 1 701 . 1 1 58 58 ASN ND2 N 15 113.2 0.1 . 1 . . . . . . . . 5843 1 702 . 1 1 58 58 ASN HD21 H 1 7.46 0.02 . 2 . . . . . . . . 5843 1 703 . 1 1 58 58 ASN HD22 H 1 6.71 0.02 . 2 . . . . . . . . 5843 1 704 . 1 1 58 58 ASN C C 13 175.4 0.1 . 1 . . . . . . . . 5843 1 705 . 1 1 59 59 LEU N N 15 119.9 0.1 . 1 . . . . . . . . 5843 1 706 . 1 1 59 59 LEU H H 1 8.98 0.02 . 1 . . . . . . . . 5843 1 707 . 1 1 59 59 LEU CA C 13 54.2 0.1 . 1 . . . . . . . . 5843 1 708 . 1 1 59 59 LEU HA H 1 4.57 0.02 . 1 . . . . . . . . 5843 1 709 . 1 1 59 59 LEU CB C 13 44.5 0.1 . 1 . . . . . . . . 5843 1 710 . 1 1 59 59 LEU HB2 H 1 1.84 0.02 . 2 . . . . . . . . 5843 1 711 . 1 1 59 59 LEU HB3 H 1 1.30 0.02 . 2 . . . . . . . . 5843 1 712 . 1 1 59 59 LEU CG C 13 26.0 0.1 . 1 . . . . . . . . 5843 1 713 . 1 1 59 59 LEU HG H 1 1.53 0.02 . 1 . . . . . . . . 5843 1 714 . 1 1 59 59 LEU HD11 H 1 0.79 0.02 . 2 . . . . . . . . 5843 1 715 . 1 1 59 59 LEU HD12 H 1 0.79 0.02 . 2 . . . . . . . . 5843 1 716 . 1 1 59 59 LEU HD13 H 1 0.79 0.02 . 2 . . . . . . . . 5843 1 717 . 1 1 59 59 LEU HD21 H 1 0.81 0.02 . 2 . . . . . . . . 5843 1 718 . 1 1 59 59 LEU HD22 H 1 0.81 0.02 . 2 . . . . . . . . 5843 1 719 . 1 1 59 59 LEU HD23 H 1 0.81 0.02 . 2 . . . . . . . . 5843 1 720 . 1 1 59 59 LEU CD1 C 13 26.0 0.1 . 1 . . . . . . . . 5843 1 721 . 1 1 59 59 LEU CD2 C 13 23.1 0.1 . 1 . . . . . . . . 5843 1 722 . 1 1 59 59 LEU C C 13 176.6 0.1 . 1 . . . . . . . . 5843 1 723 . 1 1 60 60 HIS N N 15 120.4 0.1 . 1 . . . . . . . . 5843 1 724 . 1 1 60 60 HIS H H 1 6.91 0.02 . 1 . . . . . . . . 5843 1 725 . 1 1 60 60 HIS CA C 13 56.4 0.1 . 1 . . . . . . . . 5843 1 726 . 1 1 60 60 HIS HA H 1 4.41 0.02 . 1 . . . . . . . . 5843 1 727 . 1 1 60 60 HIS CB C 13 30.9 0.1 . 1 . . . . . . . . 5843 1 728 . 1 1 60 60 HIS HB2 H 1 3.63 0.02 . 2 . . . . . . . . 5843 1 729 . 1 1 60 60 HIS HB3 H 1 3.08 0.02 . 2 . . . . . . . . 5843 1 730 . 1 1 60 60 HIS ND1 N 15 110.1 0.1 . 1 . . . . . . . . 5843 1 731 . 1 1 60 60 HIS CD2 C 13 119.1 0.1 . 1 . . . . . . . . 5843 1 732 . 1 1 60 60 HIS HD1 H 1 10.93 0.02 . 1 . . . . . . . . 5843 1 733 . 1 1 60 60 HIS CE1 C 13 139.7 0.1 . 1 . . . . . . . . 5843 1 734 . 1 1 60 60 HIS HD2 H 1 7.28 0.02 . 1 . . . . . . . . 5843 1 735 . 1 1 60 60 HIS HE1 H 1 7.69 0.02 . 1 . . . . . . . . 5843 1 736 . 1 1 60 60 HIS C C 13 176.1 0.1 . 1 . . . . . . . . 5843 1 737 . 1 1 61 61 GLN N N 15 112.7 0.1 . 1 . . . . . . . . 5843 1 738 . 1 1 61 61 GLN H H 1 8.23 0.02 . 1 . . . . . . . . 5843 1 739 . 1 1 61 61 GLN CA C 13 56.1 0.1 . 1 . . . . . . . . 5843 1 740 . 1 1 61 61 GLN HA H 1 3.75 0.02 . 1 . . . . . . . . 5843 1 741 . 1 1 61 61 GLN CB C 13 26.0 0.1 . 1 . . . . . . . . 5843 1 742 . 1 1 61 61 GLN HB2 H 1 2.45 0.02 . 2 . . . . . . . . 5843 1 743 . 1 1 61 61 GLN HB3 H 1 2.35 0.02 . 2 . . . . . . . . 5843 1 744 . 1 1 61 61 GLN CG C 13 33.1 0.1 . 1 . . . . . . . . 5843 1 745 . 1 1 61 61 GLN HG2 H 1 2.47 0.02 . 1 . . . . . . . . 5843 1 746 . 1 1 61 61 GLN HG3 H 1 2.47 0.02 . 1 . . . . . . . . 5843 1 747 . 1 1 61 61 GLN NE2 N 15 112.8 0.1 . 1 . . . . . . . . 5843 1 748 . 1 1 61 61 GLN HE21 H 1 7.24 0.02 . 2 . . . . . . . . 5843 1 749 . 1 1 61 61 GLN HE22 H 1 6.90 0.02 . 2 . . . . . . . . 5843 1 750 . 1 1 61 61 GLN C C 13 176.6 0.1 . 1 . . . . . . . . 5843 1 751 . 1 1 62 62 GLY N N 15 111.1 0.1 . 1 . . . . . . . . 5843 1 752 . 1 1 62 62 GLY H H 1 8.14 0.02 . 1 . . . . . . . . 5843 1 753 . 1 1 62 62 GLY CA C 13 45.1 0.1 . 1 . . . . . . . . 5843 1 754 . 1 1 62 62 GLY HA2 H 1 4.00 0.02 . 2 . . . . . . . . 5843 1 755 . 1 1 62 62 GLY HA3 H 1 3.54 0.02 . 2 . . . . . . . . 5843 1 756 . 1 1 62 62 GLY C C 13 175.7 0.1 . 1 . . . . . . . . 5843 1 757 . 1 1 63 63 TYR N N 15 121.9 0.1 . 1 . . . . . . . . 5843 1 758 . 1 1 63 63 TYR H H 1 8.10 0.02 . 1 . . . . . . . . 5843 1 759 . 1 1 63 63 TYR CA C 13 60.6 0.1 . 1 . . . . . . . . 5843 1 760 . 1 1 63 63 TYR HA H 1 3.99 0.02 . 1 . . . . . . . . 5843 1 761 . 1 1 63 63 TYR CB C 13 38.3 0.1 . 1 . . . . . . . . 5843 1 762 . 1 1 63 63 TYR HB2 H 1 2.62 0.02 . 2 . . . . . . . . 5843 1 763 . 1 1 63 63 TYR HB3 H 1 3.07 0.02 . 2 . . . . . . . . 5843 1 764 . 1 1 63 63 TYR HD1 H 1 7.09 0.02 . 1 . . . . . . . . 5843 1 765 . 1 1 63 63 TYR HD2 H 1 7.09 0.02 . 1 . . . . . . . . 5843 1 766 . 1 1 63 63 TYR HE1 H 1 6.31 0.02 . 1 . . . . . . . . 5843 1 767 . 1 1 63 63 TYR HE2 H 1 6.31 0.02 . 1 . . . . . . . . 5843 1 768 . 1 1 63 63 TYR CD1 C 13 133.9 0.1 . 1 . . . . . . . . 5843 1 769 . 1 1 63 63 TYR CE1 C 13 118.1 0.1 . 1 . . . . . . . . 5843 1 770 . 1 1 63 63 TYR C C 13 175.7 0.1 . 1 . . . . . . . . 5843 1 771 . 1 1 64 64 THR N N 15 109.1 0.1 . 1 . . . . . . . . 5843 1 772 . 1 1 64 64 THR H H 1 8.35 0.02 . 1 . . . . . . . . 5843 1 773 . 1 1 64 64 THR CA C 13 62.9 0.1 . 1 . . . . . . . . 5843 1 774 . 1 1 64 64 THR HA H 1 4.51 0.02 . 1 . . . . . . . . 5843 1 775 . 1 1 64 64 THR CB C 13 70.7 0.1 . 1 . . . . . . . . 5843 1 776 . 1 1 64 64 THR HB H 1 4.45 0.02 . 1 . . . . . . . . 5843 1 777 . 1 1 64 64 THR HG21 H 1 1.19 0.02 . 1 . . . . . . . . 5843 1 778 . 1 1 64 64 THR HG22 H 1 1.19 0.02 . 1 . . . . . . . . 5843 1 779 . 1 1 64 64 THR HG23 H 1 1.19 0.02 . 1 . . . . . . . . 5843 1 780 . 1 1 64 64 THR CG2 C 13 21.2 0.1 . 1 . . . . . . . . 5843 1 781 . 1 1 64 64 THR C C 13 174.3 0.1 . 1 . . . . . . . . 5843 1 782 . 1 1 65 65 HIS N N 15 122.2 0.1 . 1 . . . . . . . . 5843 1 783 . 1 1 65 65 HIS H H 1 8.70 0.02 . 1 . . . . . . . . 5843 1 784 . 1 1 65 65 HIS CA C 13 56.8 0.1 . 1 . . . . . . . . 5843 1 785 . 1 1 65 65 HIS HA H 1 5.42 0.02 . 1 . . . . . . . . 5843 1 786 . 1 1 65 65 HIS CB C 13 36.7 0.1 . 1 . . . . . . . . 5843 1 787 . 1 1 65 65 HIS HB2 H 1 2.86 0.02 . 2 . . . . . . . . 5843 1 788 . 1 1 65 65 HIS HB3 H 1 2.80 0.02 . 2 . . . . . . . . 5843 1 789 . 1 1 65 65 HIS CD2 C 13 116.8 0.1 . 1 . . . . . . . . 5843 1 790 . 1 1 65 65 HIS CE1 C 13 139.2 0.1 . 1 . . . . . . . . 5843 1 791 . 1 1 65 65 HIS HD2 H 1 7.04 0.02 . 1 . . . . . . . . 5843 1 792 . 1 1 65 65 HIS HE1 H 1 8.02 0.02 . 1 . . . . . . . . 5843 1 793 . 1 1 65 65 HIS C C 13 172.7 0.1 . 1 . . . . . . . . 5843 1 794 . 1 1 66 66 ILE N N 15 119.0 0.1 . 1 . . . . . . . . 5843 1 795 . 1 1 66 66 ILE H H 1 8.39 0.02 . 1 . . . . . . . . 5843 1 796 . 1 1 66 66 ILE CA C 13 58.4 0.1 . 1 . . . . . . . . 5843 1 797 . 1 1 66 66 ILE HA H 1 5.01 0.02 . 1 . . . . . . . . 5843 1 798 . 1 1 66 66 ILE CB C 13 41.9 0.1 . 1 . . . . . . . . 5843 1 799 . 1 1 66 66 ILE HB H 1 0.90 0.02 . 1 . . . . . . . . 5843 1 800 . 1 1 66 66 ILE HG21 H 1 0.33 0.02 . 1 . . . . . . . . 5843 1 801 . 1 1 66 66 ILE HG22 H 1 0.33 0.02 . 1 . . . . . . . . 5843 1 802 . 1 1 66 66 ILE HG23 H 1 0.33 0.02 . 1 . . . . . . . . 5843 1 803 . 1 1 66 66 ILE CG2 C 13 13.7 0.1 . 1 . . . . . . . . 5843 1 804 . 1 1 66 66 ILE CG1 C 13 29.9 0.1 . 1 . . . . . . . . 5843 1 805 . 1 1 66 66 ILE HG12 H 1 1.11 0.02 . 2 . . . . . . . . 5843 1 806 . 1 1 66 66 ILE HG13 H 1 0.29 0.02 . 2 . . . . . . . . 5843 1 807 . 1 1 66 66 ILE HD11 H 1 -0.47 0.02 . 1 . . . . . . . . 5843 1 808 . 1 1 66 66 ILE HD12 H 1 -0.47 0.02 . 1 . . . . . . . . 5843 1 809 . 1 1 66 66 ILE HD13 H 1 -0.47 0.02 . 1 . . . . . . . . 5843 1 810 . 1 1 66 66 ILE CD1 C 13 13.1 0.1 . 1 . . . . . . . . 5843 1 811 . 1 1 66 66 ILE C C 13 171.5 0.1 . 1 . . . . . . . . 5843 1 812 . 1 1 67 67 PHE N N 15 123.9 0.1 . 1 . . . . . . . . 5843 1 813 . 1 1 67 67 PHE H H 1 9.16 0.02 . 1 . . . . . . . . 5843 1 814 . 1 1 67 67 PHE CA C 13 56.4 0.1 . 1 . . . . . . . . 5843 1 815 . 1 1 67 67 PHE HA H 1 4.73 0.02 . 1 . . . . . . . . 5843 1 816 . 1 1 67 67 PHE CB C 13 41.9 0.1 . 1 . . . . . . . . 5843 1 817 . 1 1 67 67 PHE HB2 H 1 3.26 0.02 . 2 . . . . . . . . 5843 1 818 . 1 1 67 67 PHE HB3 H 1 2.79 0.02 . 2 . . . . . . . . 5843 1 819 . 1 1 67 67 PHE HD1 H 1 7.51 0.02 . 1 . . . . . . . . 5843 1 820 . 1 1 67 67 PHE HD2 H 1 7.51 0.02 . 1 . . . . . . . . 5843 1 821 . 1 1 67 67 PHE HE1 H 1 7.21 0.02 . 1 . . . . . . . . 5843 1 822 . 1 1 67 67 PHE HE2 H 1 7.21 0.02 . 1 . . . . . . . . 5843 1 823 . 1 1 67 67 PHE CD1 C 13 134.1 0.1 . 1 . . . . . . . . 5843 1 824 . 1 1 67 67 PHE CE1 C 13 130.3 0.1 . 1 . . . . . . . . 5843 1 825 . 1 1 67 67 PHE CZ C 13 127.9 0.1 . 1 . . . . . . . . 5843 1 826 . 1 1 67 67 PHE HZ H 1 7.21 0.02 . 1 . . . . . . . . 5843 1 827 . 1 1 67 67 PHE C C 13 174.4 0.1 . 1 . . . . . . . . 5843 1 828 . 1 1 68 68 GLU N N 15 124.5 0.1 . 1 . . . . . . . . 5843 1 829 . 1 1 68 68 GLU H H 1 8.86 0.02 . 1 . . . . . . . . 5843 1 830 . 1 1 68 68 GLU CA C 13 55.1 0.1 . 1 . . . . . . . . 5843 1 831 . 1 1 68 68 GLU HA H 1 5.14 0.02 . 1 . . . . . . . . 5843 1 832 . 1 1 68 68 GLU CB C 13 33.1 0.1 . 1 . . . . . . . . 5843 1 833 . 1 1 68 68 GLU HB2 H 1 1.31 0.02 . 2 . . . . . . . . 5843 1 834 . 1 1 68 68 GLU HB3 H 1 1.09 0.02 . 2 . . . . . . . . 5843 1 835 . 1 1 68 68 GLU CG C 13 38.0 0.1 . 1 . . . . . . . . 5843 1 836 . 1 1 68 68 GLU HG2 H 1 1.91 0.02 . 2 . . . . . . . . 5843 1 837 . 1 1 68 68 GLU HG3 H 1 1.57 0.02 . 2 . . . . . . . . 5843 1 838 . 1 1 68 68 GLU C C 13 175.1 0.1 . 1 . . . . . . . . 5843 1 839 . 1 1 69 69 SER N N 15 124.6 0.1 . 1 . . . . . . . . 5843 1 840 . 1 1 69 69 SER H H 1 9.27 0.02 . 1 . . . . . . . . 5843 1 841 . 1 1 69 69 SER CA C 13 57.4 0.1 . 1 . . . . . . . . 5843 1 842 . 1 1 69 69 SER HA H 1 5.45 0.02 . 1 . . . . . . . . 5843 1 843 . 1 1 69 69 SER CB C 13 66.1 0.1 . 1 . . . . . . . . 5843 1 844 . 1 1 69 69 SER HB2 H 1 3.82 0.02 . 2 . . . . . . . . 5843 1 845 . 1 1 69 69 SER HB3 H 1 3.73 0.02 . 2 . . . . . . . . 5843 1 846 . 1 1 69 69 SER C C 13 173.6 0.1 . 1 . . . . . . . . 5843 1 847 . 1 1 70 70 THR N N 15 118.4 0.1 . 1 . . . . . . . . 5843 1 848 . 1 1 70 70 THR H H 1 7.73 0.02 . 1 . . . . . . . . 5843 1 849 . 1 1 70 70 THR CA C 13 63.5 0.1 . 1 . . . . . . . . 5843 1 850 . 1 1 70 70 THR HA H 1 4.61 0.02 . 1 . . . . . . . . 5843 1 851 . 1 1 70 70 THR CB C 13 70.7 0.1 . 1 . . . . . . . . 5843 1 852 . 1 1 70 70 THR HB H 1 3.50 0.02 . 1 . . . . . . . . 5843 1 853 . 1 1 70 70 THR HG21 H 1 0.91 0.02 . 1 . . . . . . . . 5843 1 854 . 1 1 70 70 THR HG22 H 1 0.91 0.02 . 1 . . . . . . . . 5843 1 855 . 1 1 70 70 THR HG23 H 1 0.91 0.02 . 1 . . . . . . . . 5843 1 856 . 1 1 70 70 THR CG2 C 13 21.5 0.1 . 1 . . . . . . . . 5843 1 857 . 1 1 70 70 THR C C 13 171.1 0.1 . 1 . . . . . . . . 5843 1 858 . 1 1 71 71 PHE N N 15 123.1 0.1 . 1 . . . . . . . . 5843 1 859 . 1 1 71 71 PHE H H 1 8.80 0.02 . 1 . . . . . . . . 5843 1 860 . 1 1 71 71 PHE CA C 13 56.8 0.1 . 1 . . . . . . . . 5843 1 861 . 1 1 71 71 PHE HA H 1 4.62 0.02 . 1 . . . . . . . . 5843 1 862 . 1 1 71 71 PHE CB C 13 44.8 0.1 . 1 . . . . . . . . 5843 1 863 . 1 1 71 71 PHE HB2 H 1 2.53 0.02 . 2 . . . . . . . . 5843 1 864 . 1 1 71 71 PHE HB3 H 1 3.07 0.02 . 2 . . . . . . . . 5843 1 865 . 1 1 71 71 PHE HD1 H 1 6.79 0.02 . 1 . . . . . . . . 5843 1 866 . 1 1 71 71 PHE HD2 H 1 6.79 0.02 . 1 . . . . . . . . 5843 1 867 . 1 1 71 71 PHE HE1 H 1 6.62 0.02 . 1 . . . . . . . . 5843 1 868 . 1 1 71 71 PHE HE2 H 1 6.62 0.02 . 1 . . . . . . . . 5843 1 869 . 1 1 71 71 PHE CD1 C 13 132.5 0.1 . 1 . . . . . . . . 5843 1 870 . 1 1 71 71 PHE CE1 C 13 129.9 0.1 . 1 . . . . . . . . 5843 1 871 . 1 1 71 71 PHE CZ C 13 128.9 0.1 . 1 . . . . . . . . 5843 1 872 . 1 1 71 71 PHE HZ H 1 5.34 0.02 . 1 . . . . . . . . 5843 1 873 . 1 1 71 71 PHE C C 13 176.0 0.1 . 1 . . . . . . . . 5843 1 874 . 1 1 72 72 GLU N N 15 119.1 0.1 . 1 . . . . . . . . 5843 1 875 . 1 1 72 72 GLU H H 1 10.44 0.02 . 1 . . . . . . . . 5843 1 876 . 1 1 72 72 GLU CA C 13 58.4 0.1 . 1 . . . . . . . . 5843 1 877 . 1 1 72 72 GLU HA H 1 4.11 0.02 . 1 . . . . . . . . 5843 1 878 . 1 1 72 72 GLU CB C 13 30.9 0.1 . 1 . . . . . . . . 5843 1 879 . 1 1 72 72 GLU HB2 H 1 1.86 0.02 . 2 . . . . . . . . 5843 1 880 . 1 1 72 72 GLU HB3 H 1 1.99 0.02 . 2 . . . . . . . . 5843 1 881 . 1 1 72 72 GLU CG C 13 37.3 0.1 . 1 . . . . . . . . 5843 1 882 . 1 1 72 72 GLU HG2 H 1 2.32 0.02 . 2 . . . . . . . . 5843 1 883 . 1 1 72 72 GLU HG3 H 1 2.14 0.02 . 2 . . . . . . . . 5843 1 884 . 1 1 72 72 GLU C C 13 176.2 0.1 . 1 . . . . . . . . 5843 1 885 . 1 1 73 73 SER N N 15 106.9 0.1 . 1 . . . . . . . . 5843 1 886 . 1 1 73 73 SER H H 1 7.26 0.02 . 1 . . . . . . . . 5843 1 887 . 1 1 73 73 SER CA C 13 57.4 0.1 . 1 . . . . . . . . 5843 1 888 . 1 1 73 73 SER HA H 1 4.69 0.02 . 1 . . . . . . . . 5843 1 889 . 1 1 73 73 SER CB C 13 66.5 0.1 . 1 . . . . . . . . 5843 1 890 . 1 1 73 73 SER HB2 H 1 4.19 0.02 . 2 . . . . . . . . 5843 1 891 . 1 1 73 73 SER HB3 H 1 3.79 0.02 . 2 . . . . . . . . 5843 1 892 . 1 1 73 73 SER C C 13 174.3 0.1 . 1 . . . . . . . . 5843 1 893 . 1 1 74 74 LYS N N 15 120.8 0.1 . 1 . . . . . . . . 5843 1 894 . 1 1 74 74 LYS H H 1 9.40 0.02 . 1 . . . . . . . . 5843 1 895 . 1 1 74 74 LYS CA C 13 60.0 0.1 . 1 . . . . . . . . 5843 1 896 . 1 1 74 74 LYS HA H 1 3.79 0.02 . 1 . . . . . . . . 5843 1 897 . 1 1 74 74 LYS CB C 13 32.2 0.1 . 1 . . . . . . . . 5843 1 898 . 1 1 74 74 LYS HB2 H 1 1.77 0.02 . 2 . . . . . . . . 5843 1 899 . 1 1 74 74 LYS HB3 H 1 1.76 0.02 . 2 . . . . . . . . 5843 1 900 . 1 1 74 74 LYS CG C 13 25.4 0.1 . 1 . . . . . . . . 5843 1 901 . 1 1 74 74 LYS HG2 H 1 1.41 0.02 . 2 . . . . . . . . 5843 1 902 . 1 1 74 74 LYS HG3 H 1 1.34 0.02 . 2 . . . . . . . . 5843 1 903 . 1 1 74 74 LYS CD C 13 29.9 0.1 . 1 . . . . . . . . 5843 1 904 . 1 1 74 74 LYS HD3 H 1 1.63 0.02 . 2 . . . . . . . . 5843 1 905 . 1 1 74 74 LYS CE C 13 41.5 0.1 . 1 . . . . . . . . 5843 1 906 . 1 1 74 74 LYS HE2 H 1 2.90 0.02 . 2 . . . . . . . . 5843 1 907 . 1 1 74 74 LYS HE3 H 1 2.98 0.02 . 2 . . . . . . . . 5843 1 908 . 1 1 74 74 LYS C C 13 179.2 0.1 . 1 . . . . . . . . 5843 1 909 . 1 1 75 75 GLU N N 15 123.1 0.1 . 1 . . . . . . . . 5843 1 910 . 1 1 75 75 GLU H H 1 9.03 0.02 . 1 . . . . . . . . 5843 1 911 . 1 1 75 75 GLU CA C 13 61.0 0.1 . 1 . . . . . . . . 5843 1 912 . 1 1 75 75 GLU HA H 1 3.88 0.02 . 1 . . . . . . . . 5843 1 913 . 1 1 75 75 GLU CB C 13 28.3 0.1 . 1 . . . . . . . . 5843 1 914 . 1 1 75 75 GLU HB2 H 1 1.85 0.02 . 2 . . . . . . . . 5843 1 915 . 1 1 75 75 GLU HB3 H 1 2.02 0.02 . 2 . . . . . . . . 5843 1 916 . 1 1 75 75 GLU CG C 13 38.0 0.1 . 1 . . . . . . . . 5843 1 917 . 1 1 75 75 GLU HG2 H 1 2.46 0.02 . 2 . . . . . . . . 5843 1 918 . 1 1 75 75 GLU HG3 H 1 2.18 0.02 . 2 . . . . . . . . 5843 1 919 . 1 1 75 75 GLU C C 13 179.0 0.1 . 1 . . . . . . . . 5843 1 920 . 1 1 76 76 ALA N N 15 123.4 0.1 . 1 . . . . . . . . 5843 1 921 . 1 1 76 76 ALA H H 1 7.83 0.02 . 1 . . . . . . . . 5843 1 922 . 1 1 76 76 ALA CA C 13 54.8 0.1 . 1 . . . . . . . . 5843 1 923 . 1 1 76 76 ALA HA H 1 4.15 0.02 . 1 . . . . . . . . 5843 1 924 . 1 1 76 76 ALA HB1 H 1 1.72 0.02 . 1 . . . . . . . . 5843 1 925 . 1 1 76 76 ALA HB2 H 1 1.72 0.02 . 1 . . . . . . . . 5843 1 926 . 1 1 76 76 ALA HB3 H 1 1.72 0.02 . 1 . . . . . . . . 5843 1 927 . 1 1 76 76 ALA CB C 13 20.5 0.1 . 1 . . . . . . . . 5843 1 928 . 1 1 76 76 ALA C C 13 179.2 0.1 . 1 . . . . . . . . 5843 1 929 . 1 1 77 77 VAL N N 15 117.8 0.1 . 1 . . . . . . . . 5843 1 930 . 1 1 77 77 VAL H H 1 6.96 0.02 . 1 . . . . . . . . 5843 1 931 . 1 1 77 77 VAL CA C 13 66.1 0.1 . 1 . . . . . . . . 5843 1 932 . 1 1 77 77 VAL HA H 1 2.20 0.02 . 1 . . . . . . . . 5843 1 933 . 1 1 77 77 VAL CB C 13 30.9 0.1 . 1 . . . . . . . . 5843 1 934 . 1 1 77 77 VAL HB H 1 1.77 0.02 . 1 . . . . . . . . 5843 1 935 . 1 1 77 77 VAL HG11 H 1 0.24 0.02 . 2 . . . . . . . . 5843 1 936 . 1 1 77 77 VAL HG12 H 1 0.24 0.02 . 2 . . . . . . . . 5843 1 937 . 1 1 77 77 VAL HG13 H 1 0.24 0.02 . 2 . . . . . . . . 5843 1 938 . 1 1 77 77 VAL HG21 H 1 0.34 0.02 . 2 . . . . . . . . 5843 1 939 . 1 1 77 77 VAL HG22 H 1 0.34 0.02 . 2 . . . . . . . . 5843 1 940 . 1 1 77 77 VAL HG23 H 1 0.34 0.02 . 2 . . . . . . . . 5843 1 941 . 1 1 77 77 VAL CG1 C 13 21.5 0.1 . 1 . . . . . . . . 5843 1 942 . 1 1 77 77 VAL CG2 C 13 20.8 0.1 . 1 . . . . . . . . 5843 1 943 . 1 1 77 77 VAL C C 13 177.6 0.1 . 1 . . . . . . . . 5843 1 944 . 1 1 78 78 ALA N N 15 120.5 0.1 . 1 . . . . . . . . 5843 1 945 . 1 1 78 78 ALA H H 1 7.06 0.02 . 1 . . . . . . . . 5843 1 946 . 1 1 78 78 ALA CA C 13 55.5 0.1 . 1 . . . . . . . . 5843 1 947 . 1 1 78 78 ALA HA H 1 3.78 0.02 . 1 . . . . . . . . 5843 1 948 . 1 1 78 78 ALA HB1 H 1 1.35 0.02 . 1 . . . . . . . . 5843 1 949 . 1 1 78 78 ALA HB2 H 1 1.35 0.02 . 1 . . . . . . . . 5843 1 950 . 1 1 78 78 ALA HB3 H 1 1.35 0.02 . 1 . . . . . . . . 5843 1 951 . 1 1 78 78 ALA CB C 13 17.6 0.1 . 1 . . . . . . . . 5843 1 952 . 1 1 78 78 ALA C C 13 180.6 0.1 . 1 . . . . . . . . 5843 1 953 . 1 1 79 79 GLU N N 15 119.3 0.1 . 1 . . . . . . . . 5843 1 954 . 1 1 79 79 GLU H H 1 7.62 0.02 . 1 . . . . . . . . 5843 1 955 . 1 1 79 79 GLU CA C 13 59.7 0.1 . 1 . . . . . . . . 5843 1 956 . 1 1 79 79 GLU HA H 1 3.88 0.02 . 1 . . . . . . . . 5843 1 957 . 1 1 79 79 GLU CB C 13 30.2 0.1 . 1 . . . . . . . . 5843 1 958 . 1 1 79 79 GLU HB2 H 1 2.33 0.02 . 2 . . . . . . . . 5843 1 959 . 1 1 79 79 GLU HB3 H 1 2.13 0.02 . 2 . . . . . . . . 5843 1 960 . 1 1 79 79 GLU CG C 13 36.4 0.1 . 1 . . . . . . . . 5843 1 961 . 1 1 79 79 GLU HG2 H 1 2.36 0.02 . 2 . . . . . . . . 5843 1 962 . 1 1 79 79 GLU HG3 H 1 2.38 0.02 . 2 . . . . . . . . 5843 1 963 . 1 1 79 79 GLU C C 13 179.1 0.1 . 1 . . . . . . . . 5843 1 964 . 1 1 80 80 TYR N N 15 122.1 0.1 . 1 . . . . . . . . 5843 1 965 . 1 1 80 80 TYR H H 1 7.84 0.02 . 1 . . . . . . . . 5843 1 966 . 1 1 80 80 TYR CA C 13 61.0 0.1 . 1 . . . . . . . . 5843 1 967 . 1 1 80 80 TYR HA H 1 4.08 0.02 . 1 . . . . . . . . 5843 1 968 . 1 1 80 80 TYR CB C 13 39.3 0.1 . 1 . . . . . . . . 5843 1 969 . 1 1 80 80 TYR HB2 H 1 3.05 0.02 . 2 . . . . . . . . 5843 1 970 . 1 1 80 80 TYR HB3 H 1 2.85 0.02 . 2 . . . . . . . . 5843 1 971 . 1 1 80 80 TYR HD1 H 1 6.63 0.02 . 1 . . . . . . . . 5843 1 972 . 1 1 80 80 TYR HD2 H 1 6.63 0.02 . 1 . . . . . . . . 5843 1 973 . 1 1 80 80 TYR CD1 C 13 133.6 0.1 . 1 . . . . . . . . 5843 1 974 . 1 1 80 80 TYR C C 13 176.2 0.1 . 1 . . . . . . . . 5843 1 975 . 1 1 81 81 ILE N N 15 118.6 0.1 . 1 . . . . . . . . 5843 1 976 . 1 1 81 81 ILE H H 1 8.19 0.02 . 1 . . . . . . . . 5843 1 977 . 1 1 81 81 ILE CA C 13 63.5 0.1 . 1 . . . . . . . . 5843 1 978 . 1 1 81 81 ILE HA H 1 2.57 0.02 . 1 . . . . . . . . 5843 1 979 . 1 1 81 81 ILE CB C 13 37.7 0.1 . 1 . . . . . . . . 5843 1 980 . 1 1 81 81 ILE HB H 1 1.61 0.02 . 1 . . . . . . . . 5843 1 981 . 1 1 81 81 ILE HG21 H 1 0.69 0.02 . 1 . . . . . . . . 5843 1 982 . 1 1 81 81 ILE HG22 H 1 0.69 0.02 . 1 . . . . . . . . 5843 1 983 . 1 1 81 81 ILE HG23 H 1 0.69 0.02 . 1 . . . . . . . . 5843 1 984 . 1 1 81 81 ILE CG2 C 13 17.6 0.1 . 1 . . . . . . . . 5843 1 985 . 1 1 81 81 ILE CG1 C 13 28.6 0.1 . 1 . . . . . . . . 5843 1 986 . 1 1 81 81 ILE HG12 H 1 1.35 0.02 . 2 . . . . . . . . 5843 1 987 . 1 1 81 81 ILE HG13 H 1 0.94 0.02 . 2 . . . . . . . . 5843 1 988 . 1 1 81 81 ILE HD11 H 1 0.55 0.02 . 1 . . . . . . . . 5843 1 989 . 1 1 81 81 ILE HD12 H 1 0.55 0.02 . 1 . . . . . . . . 5843 1 990 . 1 1 81 81 ILE HD13 H 1 0.55 0.02 . 1 . . . . . . . . 5843 1 991 . 1 1 81 81 ILE CD1 C 13 13.7 0.1 . 1 . . . . . . . . 5843 1 992 . 1 1 81 81 ILE C C 13 178.6 0.1 . 1 . . . . . . . . 5843 1 993 . 1 1 82 82 ALA N N 15 118.9 0.1 . 1 . . . . . . . . 5843 1 994 . 1 1 82 82 ALA H H 1 6.97 0.02 . 1 . . . . . . . . 5843 1 995 . 1 1 82 82 ALA CA C 13 51.9 0.1 . 1 . . . . . . . . 5843 1 996 . 1 1 82 82 ALA HA H 1 4.17 0.02 . 1 . . . . . . . . 5843 1 997 . 1 1 82 82 ALA HB1 H 1 1.34 0.02 . 1 . . . . . . . . 5843 1 998 . 1 1 82 82 ALA HB2 H 1 1.34 0.02 . 1 . . . . . . . . 5843 1 999 . 1 1 82 82 ALA HB3 H 1 1.34 0.02 . 1 . . . . . . . . 5843 1 1000 . 1 1 82 82 ALA CB C 13 19.9 0.1 . 1 . . . . . . . . 5843 1 1001 . 1 1 82 82 ALA C C 13 176.7 0.1 . 1 . . . . . . . . 5843 1 1002 . 1 1 83 83 HIS N N 15 125.2 0.1 . 1 . . . . . . . . 5843 1 1003 . 1 1 83 83 HIS H H 1 7.72 0.02 . 1 . . . . . . . . 5843 1 1004 . 1 1 83 83 HIS CA C 13 57.1 0.1 . 1 . . . . . . . . 5843 1 1005 . 1 1 83 83 HIS HA H 1 4.41 0.02 . 1 . . . . . . . . 5843 1 1006 . 1 1 83 83 HIS CB C 13 32.2 0.1 . 1 . . . . . . . . 5843 1 1007 . 1 1 83 83 HIS HB2 H 1 3.41 0.02 . 2 . . . . . . . . 5843 1 1008 . 1 1 83 83 HIS HB3 H 1 3.14 0.02 . 2 . . . . . . . . 5843 1 1009 . 1 1 83 83 HIS CD2 C 13 118.6 0.1 . 1 . . . . . . . . 5843 1 1010 . 1 1 83 83 HIS CE1 C 13 139.0 0.1 . 1 . . . . . . . . 5843 1 1011 . 1 1 83 83 HIS HD2 H 1 7.25 0.02 . 1 . . . . . . . . 5843 1 1012 . 1 1 83 83 HIS HE1 H 1 7.76 0.02 . 1 . . . . . . . . 5843 1 1013 . 1 1 84 84 PRO CD C 13 50.9 0.1 . 1 . . . . . . . . 5843 1 1014 . 1 1 84 84 PRO CA C 13 65.8 0.1 . 1 . . . . . . . . 5843 1 1015 . 1 1 84 84 PRO HA H 1 4.14 0.02 . 1 . . . . . . . . 5843 1 1016 . 1 1 84 84 PRO CB C 13 32.8 0.1 . 1 . . . . . . . . 5843 1 1017 . 1 1 84 84 PRO HB2 H 1 1.88 0.02 . 2 . . . . . . . . 5843 1 1018 . 1 1 84 84 PRO HB3 H 1 2.28 0.02 . 2 . . . . . . . . 5843 1 1019 . 1 1 84 84 PRO CG C 13 27.6 0.1 . 1 . . . . . . . . 5843 1 1020 . 1 1 84 84 PRO HG3 H 1 1.87 0.02 . 2 . . . . . . . . 5843 1 1021 . 1 1 84 84 PRO HD2 H 1 2.57 0.02 . 2 . . . . . . . . 5843 1 1022 . 1 1 84 84 PRO HD3 H 1 3.61 0.02 . 2 . . . . . . . . 5843 1 1023 . 1 1 84 84 PRO C C 13 179.3 0.1 . 1 . . . . . . . . 5843 1 1024 . 1 1 85 85 ALA N N 15 124.0 0.1 . 1 . . . . . . . . 5843 1 1025 . 1 1 85 85 ALA H H 1 11.58 0.02 . 1 . . . . . . . . 5843 1 1026 . 1 1 85 85 ALA CA C 13 55.1 0.1 . 1 . . . . . . . . 5843 1 1027 . 1 1 85 85 ALA HA H 1 4.28 0.02 . 1 . . . . . . . . 5843 1 1028 . 1 1 85 85 ALA HB1 H 1 1.44 0.02 . 1 . . . . . . . . 5843 1 1029 . 1 1 85 85 ALA HB2 H 1 1.44 0.02 . 1 . . . . . . . . 5843 1 1030 . 1 1 85 85 ALA HB3 H 1 1.44 0.02 . 1 . . . . . . . . 5843 1 1031 . 1 1 85 85 ALA CB C 13 18.3 0.1 . 1 . . . . . . . . 5843 1 1032 . 1 1 85 85 ALA C C 13 168.8 0.1 . 1 . . . . . . . . 5843 1 1033 . 1 1 86 86 HIS N N 15 118.4 0.1 . 1 . . . . . . . . 5843 1 1034 . 1 1 86 86 HIS H H 1 7.70 0.02 . 1 . . . . . . . . 5843 1 1035 . 1 1 86 86 HIS CA C 13 60.3 0.1 . 1 . . . . . . . . 5843 1 1036 . 1 1 86 86 HIS HA H 1 4.10 0.02 . 1 . . . . . . . . 5843 1 1037 . 1 1 86 86 HIS CB C 13 29.2 0.1 . 1 . . . . . . . . 5843 1 1038 . 1 1 86 86 HIS HB2 H 1 3.42 0.02 . 2 . . . . . . . . 5843 1 1039 . 1 1 86 86 HIS HB3 H 1 2.62 0.02 . 2 . . . . . . . . 5843 1 1040 . 1 1 86 86 HIS CD2 C 13 124.5 0.1 . 1 . . . . . . . . 5843 1 1041 . 1 1 86 86 HIS CE1 C 13 136.4 0.1 . 1 . . . . . . . . 5843 1 1042 . 1 1 86 86 HIS HD2 H 1 6.72 0.02 . 1 . . . . . . . . 5843 1 1043 . 1 1 86 86 HIS HE1 H 1 7.93 0.02 . 1 . . . . . . . . 5843 1 1044 . 1 1 86 86 HIS C C 13 175.7 0.1 . 1 . . . . . . . . 5843 1 1045 . 1 1 87 87 VAL N N 15 120.2 0.1 . 1 . . . . . . . . 5843 1 1046 . 1 1 87 87 VAL H H 1 8.26 0.02 . 1 . . . . . . . . 5843 1 1047 . 1 1 87 87 VAL CA C 13 67.4 0.1 . 1 . . . . . . . . 5843 1 1048 . 1 1 87 87 VAL HA H 1 3.16 0.02 . 1 . . . . . . . . 5843 1 1049 . 1 1 87 87 VAL CB C 13 32.2 0.1 . 1 . . . . . . . . 5843 1 1050 . 1 1 87 87 VAL HB H 1 1.88 0.02 . 1 . . . . . . . . 5843 1 1051 . 1 1 87 87 VAL HG11 H 1 0.95 0.02 . 2 . . . . . . . . 5843 1 1052 . 1 1 87 87 VAL HG12 H 1 0.95 0.02 . 2 . . . . . . . . 5843 1 1053 . 1 1 87 87 VAL HG13 H 1 0.95 0.02 . 2 . . . . . . . . 5843 1 1054 . 1 1 87 87 VAL HG21 H 1 0.78 0.02 . 2 . . . . . . . . 5843 1 1055 . 1 1 87 87 VAL HG22 H 1 0.78 0.02 . 2 . . . . . . . . 5843 1 1056 . 1 1 87 87 VAL HG23 H 1 0.78 0.02 . 2 . . . . . . . . 5843 1 1057 . 1 1 87 87 VAL CG1 C 13 22.5 0.1 . 1 . . . . . . . . 5843 1 1058 . 1 1 87 87 VAL CG2 C 13 20.8 0.1 . 1 . . . . . . . . 5843 1 1059 . 1 1 87 87 VAL C C 13 179.1 0.1 . 1 . . . . . . . . 5843 1 1060 . 1 1 88 88 GLU N N 15 118.3 0.1 . 1 . . . . . . . . 5843 1 1061 . 1 1 88 88 GLU H H 1 7.98 0.02 . 1 . . . . . . . . 5843 1 1062 . 1 1 88 88 GLU CA C 13 59.7 0.1 . 1 . . . . . . . . 5843 1 1063 . 1 1 88 88 GLU HA H 1 3.89 0.02 . 1 . . . . . . . . 5843 1 1064 . 1 1 88 88 GLU CB C 13 30.2 0.1 . 1 . . . . . . . . 5843 1 1065 . 1 1 88 88 GLU HB2 H 1 1.90 0.02 . 2 . . . . . . . . 5843 1 1066 . 1 1 88 88 GLU HB3 H 1 2.00 0.02 . 2 . . . . . . . . 5843 1 1067 . 1 1 88 88 GLU CG C 13 36.4 0.1 . 1 . . . . . . . . 5843 1 1068 . 1 1 88 88 GLU HG3 H 1 2.26 0.02 . 2 . . . . . . . . 5843 1 1069 . 1 1 88 88 GLU C C 13 178.5 0.1 . 1 . . . . . . . . 5843 1 1070 . 1 1 89 89 PHE N N 15 119.2 0.1 . 1 . . . . . . . . 5843 1 1071 . 1 1 89 89 PHE H H 1 7.28 0.02 . 1 . . . . . . . . 5843 1 1072 . 1 1 89 89 PHE CA C 13 61.6 0.1 . 1 . . . . . . . . 5843 1 1073 . 1 1 89 89 PHE HA H 1 4.09 0.02 . 1 . . . . . . . . 5843 1 1074 . 1 1 89 89 PHE CB C 13 40.2 0.1 . 1 . . . . . . . . 5843 1 1075 . 1 1 89 89 PHE HB2 H 1 3.18 0.02 . 2 . . . . . . . . 5843 1 1076 . 1 1 89 89 PHE HB3 H 1 2.69 0.02 . 2 . . . . . . . . 5843 1 1077 . 1 1 89 89 PHE HD1 H 1 6.73 0.02 . 1 . . . . . . . . 5843 1 1078 . 1 1 89 89 PHE HD2 H 1 6.73 0.02 . 1 . . . . . . . . 5843 1 1079 . 1 1 89 89 PHE HE1 H 1 6.32 0.02 . 1 . . . . . . . . 5843 1 1080 . 1 1 89 89 PHE HE2 H 1 6.32 0.02 . 1 . . . . . . . . 5843 1 1081 . 1 1 89 89 PHE CD1 C 13 131.3 0.1 . 1 . . . . . . . . 5843 1 1082 . 1 1 89 89 PHE CE1 C 13 131.0 0.1 . 1 . . . . . . . . 5843 1 1083 . 1 1 89 89 PHE C C 13 176.7 0.1 . 1 . . . . . . . . 5843 1 1084 . 1 1 90 90 ALA N N 15 121.8 0.1 . 1 . . . . . . . . 5843 1 1085 . 1 1 90 90 ALA H H 1 9.25 0.02 . 1 . . . . . . . . 5843 1 1086 . 1 1 90 90 ALA CA C 13 55.5 0.1 . 1 . . . . . . . . 5843 1 1087 . 1 1 90 90 ALA HA H 1 3.47 0.02 . 1 . . . . . . . . 5843 1 1088 . 1 1 90 90 ALA HB1 H 1 0.98 0.02 . 1 . . . . . . . . 5843 1 1089 . 1 1 90 90 ALA HB2 H 1 0.98 0.02 . 1 . . . . . . . . 5843 1 1090 . 1 1 90 90 ALA HB3 H 1 0.98 0.02 . 1 . . . . . . . . 5843 1 1091 . 1 1 90 90 ALA CB C 13 17.6 0.1 . 1 . . . . . . . . 5843 1 1092 . 1 1 90 90 ALA C C 13 179.4 0.1 . 1 . . . . . . . . 5843 1 1093 . 1 1 91 91 THR N N 15 111.5 0.1 . 1 . . . . . . . . 5843 1 1094 . 1 1 91 91 THR H H 1 7.40 0.02 . 1 . . . . . . . . 5843 1 1095 . 1 1 91 91 THR CA C 13 66.5 0.1 . 1 . . . . . . . . 5843 1 1096 . 1 1 91 91 THR HA H 1 3.68 0.02 . 1 . . . . . . . . 5843 1 1097 . 1 1 91 91 THR CB C 13 69.7 0.1 . 1 . . . . . . . . 5843 1 1098 . 1 1 91 91 THR HB H 1 4.07 0.02 . 1 . . . . . . . . 5843 1 1099 . 1 1 91 91 THR HG21 H 1 1.10 0.02 . 1 . . . . . . . . 5843 1 1100 . 1 1 91 91 THR HG22 H 1 1.10 0.02 . 1 . . . . . . . . 5843 1 1101 . 1 1 91 91 THR HG23 H 1 1.10 0.02 . 1 . . . . . . . . 5843 1 1102 . 1 1 91 91 THR CG2 C 13 21.5 0.1 . 1 . . . . . . . . 5843 1 1103 . 1 1 91 91 THR C C 13 176.8 0.1 . 1 . . . . . . . . 5843 1 1104 . 1 1 92 92 ILE N N 15 120.7 0.1 . 1 . . . . . . . . 5843 1 1105 . 1 1 92 92 ILE H H 1 6.76 0.02 . 1 . . . . . . . . 5843 1 1106 . 1 1 92 92 ILE CA C 13 63.5 0.1 . 1 . . . . . . . . 5843 1 1107 . 1 1 92 92 ILE HA H 1 3.66 0.02 . 1 . . . . . . . . 5843 1 1108 . 1 1 92 92 ILE CB C 13 38.6 0.1 . 1 . . . . . . . . 5843 1 1109 . 1 1 92 92 ILE HB H 1 1.67 0.02 . 1 . . . . . . . . 5843 1 1110 . 1 1 92 92 ILE HG21 H 1 0.69 0.02 . 1 . . . . . . . . 5843 1 1111 . 1 1 92 92 ILE HG22 H 1 0.69 0.02 . 1 . . . . . . . . 5843 1 1112 . 1 1 92 92 ILE HG23 H 1 0.69 0.02 . 1 . . . . . . . . 5843 1 1113 . 1 1 92 92 ILE CG2 C 13 17.3 0.1 . 1 . . . . . . . . 5843 1 1114 . 1 1 92 92 ILE CG1 C 13 28.0 0.1 . 1 . . . . . . . . 5843 1 1115 . 1 1 92 92 ILE HG12 H 1 1.02 0.02 . 2 . . . . . . . . 5843 1 1116 . 1 1 92 92 ILE HG13 H 1 1.43 0.02 . 2 . . . . . . . . 5843 1 1117 . 1 1 92 92 ILE HD11 H 1 0.74 0.02 . 1 . . . . . . . . 5843 1 1118 . 1 1 92 92 ILE HD12 H 1 0.74 0.02 . 1 . . . . . . . . 5843 1 1119 . 1 1 92 92 ILE HD13 H 1 0.74 0.02 . 1 . . . . . . . . 5843 1 1120 . 1 1 92 92 ILE CD1 C 13 13.1 0.1 . 1 . . . . . . . . 5843 1 1121 . 1 1 92 92 ILE C C 13 178.4 0.1 . 1 . . . . . . . . 5843 1 1122 . 1 1 93 93 PHE N N 15 123.4 0.1 . 1 . . . . . . . . 5843 1 1123 . 1 1 93 93 PHE H H 1 8.55 0.02 . 1 . . . . . . . . 5843 1 1124 . 1 1 93 93 PHE CA C 13 61.0 0.1 . 1 . . . . . . . . 5843 1 1125 . 1 1 93 93 PHE HA H 1 3.82 0.02 . 1 . . . . . . . . 5843 1 1126 . 1 1 93 93 PHE CB C 13 40.9 0.1 . 1 . . . . . . . . 5843 1 1127 . 1 1 93 93 PHE HB2 H 1 2.04 0.02 . 2 . . . . . . . . 5843 1 1128 . 1 1 93 93 PHE HB3 H 1 1.80 0.02 . 2 . . . . . . . . 5843 1 1129 . 1 1 93 93 PHE HD1 H 1 6.79 0.02 . 1 . . . . . . . . 5843 1 1130 . 1 1 93 93 PHE HD2 H 1 6.79 0.02 . 1 . . . . . . . . 5843 1 1131 . 1 1 93 93 PHE HE1 H 1 6.89 0.02 . 1 . . . . . . . . 5843 1 1132 . 1 1 93 93 PHE HE2 H 1 6.89 0.02 . 1 . . . . . . . . 5843 1 1133 . 1 1 93 93 PHE CD1 C 13 131.5 0.1 . 1 . . . . . . . . 5843 1 1134 . 1 1 93 93 PHE CE1 C 13 130.6 0.1 . 1 . . . . . . . . 5843 1 1135 . 1 1 93 93 PHE CZ C 13 129.1 0.1 . 1 . . . . . . . . 5843 1 1136 . 1 1 93 93 PHE HZ H 1 6.43 0.02 . 1 . . . . . . . . 5843 1 1137 . 1 1 93 93 PHE C C 13 177.8 0.1 . 1 . . . . . . . . 5843 1 1138 . 1 1 94 94 LEU N N 15 116.4 0.1 . 1 . . . . . . . . 5843 1 1139 . 1 1 94 94 LEU H H 1 8.80 0.02 . 1 . . . . . . . . 5843 1 1140 . 1 1 94 94 LEU CA C 13 58.0 0.1 . 1 . . . . . . . . 5843 1 1141 . 1 1 94 94 LEU HA H 1 3.57 0.02 . 1 . . . . . . . . 5843 1 1142 . 1 1 94 94 LEU CB C 13 40.6 0.1 . 1 . . . . . . . . 5843 1 1143 . 1 1 94 94 LEU HB2 H 1 1.34 0.02 . 2 . . . . . . . . 5843 1 1144 . 1 1 94 94 LEU HB3 H 1 1.71 0.02 . 2 . . . . . . . . 5843 1 1145 . 1 1 94 94 LEU CG C 13 28.3 0.1 . 1 . . . . . . . . 5843 1 1146 . 1 1 94 94 LEU HG H 1 1.68 0.02 . 1 . . . . . . . . 5843 1 1147 . 1 1 94 94 LEU HD11 H 1 0.79 0.02 . 2 . . . . . . . . 5843 1 1148 . 1 1 94 94 LEU HD12 H 1 0.79 0.02 . 2 . . . . . . . . 5843 1 1149 . 1 1 94 94 LEU HD13 H 1 0.79 0.02 . 2 . . . . . . . . 5843 1 1150 . 1 1 94 94 LEU HD21 H 1 0.78 0.02 . 2 . . . . . . . . 5843 1 1151 . 1 1 94 94 LEU HD22 H 1 0.78 0.02 . 2 . . . . . . . . 5843 1 1152 . 1 1 94 94 LEU HD23 H 1 0.78 0.02 . 2 . . . . . . . . 5843 1 1153 . 1 1 94 94 LEU CD1 C 13 25.4 0.1 . 1 . . . . . . . . 5843 1 1154 . 1 1 94 94 LEU CD2 C 13 23.1 0.1 . 1 . . . . . . . . 5843 1 1155 . 1 1 94 94 LEU C C 13 180.5 0.1 . 1 . . . . . . . . 5843 1 1156 . 1 1 95 95 GLY N N 15 103.5 0.1 . 1 . . . . . . . . 5843 1 1157 . 1 1 95 95 GLY H H 1 7.07 0.02 . 1 . . . . . . . . 5843 1 1158 . 1 1 95 95 GLY CA C 13 46.4 0.1 . 1 . . . . . . . . 5843 1 1159 . 1 1 95 95 GLY HA2 H 1 3.75 0.02 . 2 . . . . . . . . 5843 1 1160 . 1 1 95 95 GLY HA3 H 1 3.95 0.02 . 2 . . . . . . . . 5843 1 1161 . 1 1 95 95 GLY C C 13 174.8 0.1 . 1 . . . . . . . . 5843 1 1162 . 1 1 96 96 SER N N 15 114.8 0.1 . 1 . . . . . . . . 5843 1 1163 . 1 1 96 96 SER H H 1 7.57 0.02 . 1 . . . . . . . . 5843 1 1164 . 1 1 96 96 SER CA C 13 59.3 0.1 . 1 . . . . . . . . 5843 1 1165 . 1 1 96 96 SER HA H 1 4.50 0.02 . 1 . . . . . . . . 5843 1 1166 . 1 1 96 96 SER CB C 13 64.8 0.1 . 1 . . . . . . . . 5843 1 1167 . 1 1 96 96 SER HB2 H 1 4.04 0.02 . 2 . . . . . . . . 5843 1 1168 . 1 1 96 96 SER HB3 H 1 3.83 0.02 . 2 . . . . . . . . 5843 1 1169 . 1 1 96 96 SER C C 13 172.7 0.1 . 1 . . . . . . . . 5843 1 1170 . 1 1 97 97 LEU N N 15 120.1 0.1 . 1 . . . . . . . . 5843 1 1171 . 1 1 97 97 LEU H H 1 7.12 0.02 . 1 . . . . . . . . 5843 1 1172 . 1 1 97 97 LEU CA C 13 54.2 0.1 . 1 . . . . . . . . 5843 1 1173 . 1 1 97 97 LEU HA H 1 4.52 0.02 . 1 . . . . . . . . 5843 1 1174 . 1 1 97 97 LEU CB C 13 42.2 0.1 . 1 . . . . . . . . 5843 1 1175 . 1 1 97 97 LEU HB2 H 1 1.43 0.02 . 2 . . . . . . . . 5843 1 1176 . 1 1 97 97 LEU HB3 H 1 1.18 0.02 . 2 . . . . . . . . 5843 1 1177 . 1 1 97 97 LEU CG C 13 25.4 0.1 . 1 . . . . . . . . 5843 1 1178 . 1 1 97 97 LEU HG H 1 1.34 0.02 . 1 . . . . . . . . 5843 1 1179 . 1 1 97 97 LEU HD11 H 1 -0.48 0.02 . 2 . . . . . . . . 5843 1 1180 . 1 1 97 97 LEU HD12 H 1 -0.48 0.02 . 2 . . . . . . . . 5843 1 1181 . 1 1 97 97 LEU HD13 H 1 -0.48 0.02 . 2 . . . . . . . . 5843 1 1182 . 1 1 97 97 LEU HD21 H 1 0.22 0.02 . 2 . . . . . . . . 5843 1 1183 . 1 1 97 97 LEU HD22 H 1 0.22 0.02 . 2 . . . . . . . . 5843 1 1184 . 1 1 97 97 LEU HD23 H 1 0.22 0.02 . 2 . . . . . . . . 5843 1 1185 . 1 1 97 97 LEU CD1 C 13 22.1 0.1 . 1 . . . . . . . . 5843 1 1186 . 1 1 97 97 LEU CD2 C 13 25.7 0.1 . 1 . . . . . . . . 5843 1 1187 . 1 1 97 97 LEU C C 13 176.7 0.1 . 1 . . . . . . . . 5843 1 1188 . 1 1 98 98 ASP N N 15 121.7 0.1 . 1 . . . . . . . . 5843 1 1189 . 1 1 98 98 ASP H H 1 8.75 0.02 . 1 . . . . . . . . 5843 1 1190 . 1 1 98 98 ASP CA C 13 54.8 0.1 . 1 . . . . . . . . 5843 1 1191 . 1 1 98 98 ASP HA H 1 4.57 0.02 . 1 . . . . . . . . 5843 1 1192 . 1 1 98 98 ASP CB C 13 42.8 0.1 . 1 . . . . . . . . 5843 1 1193 . 1 1 98 98 ASP HB2 H 1 2.36 0.02 . 2 . . . . . . . . 5843 1 1194 . 1 1 98 98 ASP HB3 H 1 2.18 0.02 . 2 . . . . . . . . 5843 1 1195 . 1 1 98 98 ASP C C 13 175.8 0.1 . 1 . . . . . . . . 5843 1 1196 . 1 1 99 99 LYS N N 15 116.2 0.1 . 1 . . . . . . . . 5843 1 1197 . 1 1 99 99 LYS H H 1 7.26 0.02 . 1 . . . . . . . . 5843 1 1198 . 1 1 99 99 LYS CA C 13 56.1 0.1 . 1 . . . . . . . . 5843 1 1199 . 1 1 99 99 LYS HA H 1 4.40 0.02 . 1 . . . . . . . . 5843 1 1200 . 1 1 99 99 LYS CB C 13 35.7 0.1 . 1 . . . . . . . . 5843 1 1201 . 1 1 99 99 LYS HB2 H 1 1.63 0.02 . 2 . . . . . . . . 5843 1 1202 . 1 1 99 99 LYS HB3 H 1 1.29 0.02 . 2 . . . . . . . . 5843 1 1203 . 1 1 99 99 LYS CG C 13 24.4 0.1 . 1 . . . . . . . . 5843 1 1204 . 1 1 99 99 LYS HG2 H 1 1.11 0.02 . 2 . . . . . . . . 5843 1 1205 . 1 1 99 99 LYS HG3 H 1 1.00 0.02 . 2 . . . . . . . . 5843 1 1206 . 1 1 99 99 LYS CD C 13 29.2 0.1 . 1 . . . . . . . . 5843 1 1207 . 1 1 99 99 LYS HD3 H 1 0.99 0.02 . 2 . . . . . . . . 5843 1 1208 . 1 1 99 99 LYS CE C 13 41.9 0.1 . 1 . . . . . . . . 5843 1 1209 . 1 1 99 99 LYS HE3 H 1 2.46 0.02 . 2 . . . . . . . . 5843 1 1210 . 1 1 99 99 LYS C C 13 173.9 0.1 . 1 . . . . . . . . 5843 1 1211 . 1 1 100 100 VAL N N 15 117.8 0.1 . 1 . . . . . . . . 5843 1 1212 . 1 1 100 100 VAL H H 1 7.96 0.02 . 1 . . . . . . . . 5843 1 1213 . 1 1 100 100 VAL CA C 13 60.6 0.1 . 1 . . . . . . . . 5843 1 1214 . 1 1 100 100 VAL HA H 1 5.26 0.02 . 1 . . . . . . . . 5843 1 1215 . 1 1 100 100 VAL CB C 13 35.7 0.1 . 1 . . . . . . . . 5843 1 1216 . 1 1 100 100 VAL HB H 1 1.95 0.02 . 1 . . . . . . . . 5843 1 1217 . 1 1 100 100 VAL HG11 H 1 0.85 0.02 . 2 . . . . . . . . 5843 1 1218 . 1 1 100 100 VAL HG12 H 1 0.85 0.02 . 2 . . . . . . . . 5843 1 1219 . 1 1 100 100 VAL HG13 H 1 0.85 0.02 . 2 . . . . . . . . 5843 1 1220 . 1 1 100 100 VAL HG21 H 1 0.81 0.02 . 2 . . . . . . . . 5843 1 1221 . 1 1 100 100 VAL HG22 H 1 0.81 0.02 . 2 . . . . . . . . 5843 1 1222 . 1 1 100 100 VAL HG23 H 1 0.81 0.02 . 2 . . . . . . . . 5843 1 1223 . 1 1 100 100 VAL CG1 C 13 22.1 0.1 . 1 . . . . . . . . 5843 1 1224 . 1 1 100 100 VAL CG2 C 13 19.9 0.1 . 1 . . . . . . . . 5843 1 1225 . 1 1 100 100 VAL C C 13 172.3 0.1 . 1 . . . . . . . . 5843 1 1226 . 1 1 101 101 LEU N N 15 132.9 0.1 . 1 . . . . . . . . 5843 1 1227 . 1 1 101 101 LEU H H 1 8.75 0.02 . 1 . . . . . . . . 5843 1 1228 . 1 1 101 101 LEU CA C 13 55.5 0.1 . 1 . . . . . . . . 5843 1 1229 . 1 1 101 101 LEU HA H 1 5.02 0.02 . 1 . . . . . . . . 5843 1 1230 . 1 1 101 101 LEU CB C 13 45.8 0.1 . 1 . . . . . . . . 5843 1 1231 . 1 1 101 101 LEU HB2 H 1 1.10 0.02 . 2 . . . . . . . . 5843 1 1232 . 1 1 101 101 LEU HB3 H 1 1.62 0.02 . 2 . . . . . . . . 5843 1 1233 . 1 1 101 101 LEU CG C 13 28.0 0.1 . 1 . . . . . . . . 5843 1 1234 . 1 1 101 101 LEU HG H 1 1.59 0.02 . 1 . . . . . . . . 5843 1 1235 . 1 1 101 101 LEU HD11 H 1 0.42 0.02 . 2 . . . . . . . . 5843 1 1236 . 1 1 101 101 LEU HD12 H 1 0.42 0.02 . 2 . . . . . . . . 5843 1 1237 . 1 1 101 101 LEU HD13 H 1 0.42 0.02 . 2 . . . . . . . . 5843 1 1238 . 1 1 101 101 LEU HD21 H 1 0.33 0.02 . 2 . . . . . . . . 5843 1 1239 . 1 1 101 101 LEU HD22 H 1 0.33 0.02 . 2 . . . . . . . . 5843 1 1240 . 1 1 101 101 LEU HD23 H 1 0.33 0.02 . 2 . . . . . . . . 5843 1 1241 . 1 1 101 101 LEU CD1 C 13 24.4 0.1 . 1 . . . . . . . . 5843 1 1242 . 1 1 101 101 LEU CD2 C 13 27.3 0.1 . 1 . . . . . . . . 5843 1 1243 . 1 1 101 101 LEU C C 13 175.1 0.1 . 1 . . . . . . . . 5843 1 1244 . 1 1 102 102 VAL N N 15 124.7 0.1 . 1 . . . . . . . . 5843 1 1245 . 1 1 102 102 VAL H H 1 7.55 0.02 . 1 . . . . . . . . 5843 1 1246 . 1 1 102 102 VAL CA C 13 61.0 0.1 . 1 . . . . . . . . 5843 1 1247 . 1 1 102 102 VAL HA H 1 5.26 0.02 . 1 . . . . . . . . 5843 1 1248 . 1 1 102 102 VAL CB C 13 35.7 0.1 . 1 . . . . . . . . 5843 1 1249 . 1 1 102 102 VAL HB H 1 1.60 0.02 . 1 . . . . . . . . 5843 1 1250 . 1 1 102 102 VAL HG11 H 1 0.85 0.02 . 2 . . . . . . . . 5843 1 1251 . 1 1 102 102 VAL HG12 H 1 0.85 0.02 . 2 . . . . . . . . 5843 1 1252 . 1 1 102 102 VAL HG13 H 1 0.85 0.02 . 2 . . . . . . . . 5843 1 1253 . 1 1 102 102 VAL HG21 H 1 0.67 0.02 . 2 . . . . . . . . 5843 1 1254 . 1 1 102 102 VAL HG22 H 1 0.67 0.02 . 2 . . . . . . . . 5843 1 1255 . 1 1 102 102 VAL HG23 H 1 0.67 0.02 . 2 . . . . . . . . 5843 1 1256 . 1 1 102 102 VAL CG1 C 13 21.8 0.1 . 1 . . . . . . . . 5843 1 1257 . 1 1 102 102 VAL CG2 C 13 21.5 0.1 . 1 . . . . . . . . 5843 1 1258 . 1 1 102 102 VAL C C 13 175.4 0.1 . 1 . . . . . . . . 5843 1 1259 . 1 1 103 103 ILE N N 15 125.5 0.1 . 1 . . . . . . . . 5843 1 1260 . 1 1 103 103 ILE H H 1 8.79 0.02 . 1 . . . . . . . . 5843 1 1261 . 1 1 103 103 ILE CA C 13 59.0 0.1 . 1 . . . . . . . . 5843 1 1262 . 1 1 103 103 ILE HA H 1 4.52 0.02 . 1 . . . . . . . . 5843 1 1263 . 1 1 103 103 ILE CB C 13 42.8 0.1 . 1 . . . . . . . . 5843 1 1264 . 1 1 103 103 ILE HB H 1 1.50 0.02 . 1 . . . . . . . . 5843 1 1265 . 1 1 103 103 ILE HG21 H 1 0.67 0.02 . 1 . . . . . . . . 5843 1 1266 . 1 1 103 103 ILE HG22 H 1 0.67 0.02 . 1 . . . . . . . . 5843 1 1267 . 1 1 103 103 ILE HG23 H 1 0.67 0.02 . 1 . . . . . . . . 5843 1 1268 . 1 1 103 103 ILE CG2 C 13 17.3 0.1 . 1 . . . . . . . . 5843 1 1269 . 1 1 103 103 ILE CG1 C 13 27.3 0.1 . 1 . . . . . . . . 5843 1 1270 . 1 1 103 103 ILE HG12 H 1 1.34 0.02 . 2 . . . . . . . . 5843 1 1271 . 1 1 103 103 ILE HG13 H 1 0.88 0.02 . 2 . . . . . . . . 5843 1 1272 . 1 1 103 103 ILE HD11 H 1 0.54 0.02 . 1 . . . . . . . . 5843 1 1273 . 1 1 103 103 ILE HD12 H 1 0.54 0.02 . 1 . . . . . . . . 5843 1 1274 . 1 1 103 103 ILE HD13 H 1 0.54 0.02 . 1 . . . . . . . . 5843 1 1275 . 1 1 103 103 ILE CD1 C 13 13.4 0.1 . 1 . . . . . . . . 5843 1 1276 . 1 1 103 103 ILE C C 13 175.1 0.1 . 1 . . . . . . . . 5843 1 1277 . 1 1 104 104 ASP N N 15 122.1 0.1 . 1 . . . . . . . . 5843 1 1278 . 1 1 104 104 ASP H H 1 8.36 0.02 . 1 . . . . . . . . 5843 1 1279 . 1 1 104 104 ASP CA C 13 52.5 0.1 . 1 . . . . . . . . 5843 1 1280 . 1 1 104 104 ASP HA H 1 6.31 0.02 . 1 . . . . . . . . 5843 1 1281 . 1 1 104 104 ASP CB C 13 44.8 0.1 . 1 . . . . . . . . 5843 1 1282 . 1 1 104 104 ASP HB3 H 1 2.12 0.02 . 2 . . . . . . . . 5843 1 1283 . 1 1 104 104 ASP C C 13 175.7 0.1 . 1 . . . . . . . . 5843 1 1284 . 1 1 105 105 TYR N N 15 117.5 0.1 . 1 . . . . . . . . 5843 1 1285 . 1 1 105 105 TYR H H 1 9.27 0.02 . 1 . . . . . . . . 5843 1 1286 . 1 1 105 105 TYR CA C 13 56.1 0.1 . 1 . . . . . . . . 5843 1 1287 . 1 1 105 105 TYR HA H 1 4.98 0.02 . 1 . . . . . . . . 5843 1 1288 . 1 1 105 105 TYR CB C 13 41.9 0.1 . 1 . . . . . . . . 5843 1 1289 . 1 1 105 105 TYR HB2 H 1 2.58 0.02 . 2 . . . . . . . . 5843 1 1290 . 1 1 105 105 TYR HB3 H 1 2.26 0.02 . 2 . . . . . . . . 5843 1 1291 . 1 1 105 105 TYR HD1 H 1 6.42 0.02 . 1 . . . . . . . . 5843 1 1292 . 1 1 105 105 TYR HD2 H 1 6.42 0.02 . 1 . . . . . . . . 5843 1 1293 . 1 1 105 105 TYR HE1 H 1 6.29 0.02 . 1 . . . . . . . . 5843 1 1294 . 1 1 105 105 TYR HE2 H 1 6.29 0.02 . 1 . . . . . . . . 5843 1 1295 . 1 1 105 105 TYR CD1 C 13 132.9 0.1 . 1 . . . . . . . . 5843 1 1296 . 1 1 105 105 TYR CE1 C 13 117.6 0.1 . 1 . . . . . . . . 5843 1 1297 . 1 1 105 105 TYR C C 13 171.5 0.1 . 1 . . . . . . . . 5843 1 1298 . 1 1 106 106 LYS N N 15 123.9 0.1 . 1 . . . . . . . . 5843 1 1299 . 1 1 106 106 LYS H H 1 8.89 0.02 . 1 . . . . . . . . 5843 1 1300 . 1 1 106 106 LYS CA C 13 52.2 0.1 . 1 . . . . . . . . 5843 1 1301 . 1 1 106 106 LYS HA H 1 4.97 0.02 . 1 . . . . . . . . 5843 1 1302 . 1 1 106 106 LYS CB C 13 33.8 0.1 . 1 . . . . . . . . 5843 1 1303 . 1 1 106 106 LYS HB2 H 1 1.60 0.02 . 2 . . . . . . . . 5843 1 1304 . 1 1 106 106 LYS HB3 H 1 1.35 0.02 . 2 . . . . . . . . 5843 1 1305 . 1 1 106 106 LYS CG C 13 24.7 0.1 . 1 . . . . . . . . 5843 1 1306 . 1 1 106 106 LYS HG2 H 1 1.24 0.02 . 2 . . . . . . . . 5843 1 1307 . 1 1 106 106 LYS HG3 H 1 1.02 0.02 . 2 . . . . . . . . 5843 1 1308 . 1 1 106 106 LYS CD C 13 29.2 0.1 . 1 . . . . . . . . 5843 1 1309 . 1 1 106 106 LYS HD3 H 1 1.35 0.02 . 2 . . . . . . . . 5843 1 1310 . 1 1 106 106 LYS CE C 13 42.2 0.1 . 1 . . . . . . . . 5843 1 1311 . 1 1 106 106 LYS HE3 H 1 2.72 0.02 . 2 . . . . . . . . 5843 1 1312 . 1 1 107 107 PRO CD C 13 50.6 0.1 . 1 . . . . . . . . 5843 1 1313 . 1 1 107 107 PRO CA C 13 63.9 0.1 . 1 . . . . . . . . 5843 1 1314 . 1 1 107 107 PRO HA H 1 3.75 0.02 . 1 . . . . . . . . 5843 1 1315 . 1 1 107 107 PRO CB C 13 31.2 0.1 . 1 . . . . . . . . 5843 1 1316 . 1 1 107 107 PRO HB2 H 1 0.96 0.02 . 2 . . . . . . . . 5843 1 1317 . 1 1 107 107 PRO HB3 H 1 1.32 0.02 . 2 . . . . . . . . 5843 1 1318 . 1 1 107 107 PRO CG C 13 27.3 0.1 . 1 . . . . . . . . 5843 1 1319 . 1 1 107 107 PRO HG2 H 1 1.52 0.02 . 2 . . . . . . . . 5843 1 1320 . 1 1 107 107 PRO HG3 H 1 1.08 0.02 . 2 . . . . . . . . 5843 1 1321 . 1 1 107 107 PRO HD2 H 1 3.02 0.02 . 2 . . . . . . . . 5843 1 1322 . 1 1 107 107 PRO HD3 H 1 3.50 0.02 . 2 . . . . . . . . 5843 1 1323 . 1 1 107 107 PRO C C 13 176.7 0.1 . 1 . . . . . . . . 5843 1 1324 . 1 1 108 108 THR N N 15 123.2 0.1 . 1 . . . . . . . . 5843 1 1325 . 1 1 108 108 THR H H 1 9.22 0.02 . 1 . . . . . . . . 5843 1 1326 . 1 1 108 108 THR CA C 13 62.9 0.1 . 1 . . . . . . . . 5843 1 1327 . 1 1 108 108 THR HA H 1 4.32 0.02 . 1 . . . . . . . . 5843 1 1328 . 1 1 108 108 THR CB C 13 70.7 0.1 . 1 . . . . . . . . 5843 1 1329 . 1 1 108 108 THR HB H 1 2.73 0.02 . 1 . . . . . . . . 5843 1 1330 . 1 1 108 108 THR HG21 H 1 1.08 0.02 . 1 . . . . . . . . 5843 1 1331 . 1 1 108 108 THR HG22 H 1 1.08 0.02 . 1 . . . . . . . . 5843 1 1332 . 1 1 108 108 THR HG23 H 1 1.08 0.02 . 1 . . . . . . . . 5843 1 1333 . 1 1 108 108 THR CG2 C 13 20.8 0.1 . 1 . . . . . . . . 5843 1 1334 . 1 1 108 108 THR C C 13 172.8 0.1 . 1 . . . . . . . . 5843 1 1335 . 1 1 109 109 SER N N 15 121.4 0.1 . 1 . . . . . . . . 5843 1 1336 . 1 1 109 109 SER H H 1 8.64 0.02 . 1 . . . . . . . . 5843 1 1337 . 1 1 109 109 SER CA C 13 57.7 0.1 . 1 . . . . . . . . 5843 1 1338 . 1 1 109 109 SER HA H 1 4.89 0.02 . 1 . . . . . . . . 5843 1 1339 . 1 1 109 109 SER CB C 13 64.8 0.1 . 1 . . . . . . . . 5843 1 1340 . 1 1 109 109 SER HB3 H 1 3.88 0.02 . 2 . . . . . . . . 5843 1 1341 . 1 1 109 109 SER C C 13 174.3 0.1 . 1 . . . . . . . . 5843 1 1342 . 1 1 110 110 VAL N N 15 123.6 0.1 . 1 . . . . . . . . 5843 1 1343 . 1 1 110 110 VAL H H 1 9.09 0.02 . 1 . . . . . . . . 5843 1 1344 . 1 1 110 110 VAL CA C 13 62.3 0.1 . 1 . . . . . . . . 5843 1 1345 . 1 1 110 110 VAL HA H 1 4.33 0.02 . 1 . . . . . . . . 5843 1 1346 . 1 1 110 110 VAL CB C 13 33.8 0.1 . 1 . . . . . . . . 5843 1 1347 . 1 1 110 110 VAL HB H 1 1.99 0.02 . 1 . . . . . . . . 5843 1 1348 . 1 1 110 110 VAL HG11 H 1 0.91 0.02 . 2 . . . . . . . . 5843 1 1349 . 1 1 110 110 VAL HG12 H 1 0.91 0.02 . 2 . . . . . . . . 5843 1 1350 . 1 1 110 110 VAL HG13 H 1 0.91 0.02 . 2 . . . . . . . . 5843 1 1351 . 1 1 110 110 VAL HG21 H 1 1.18 0.02 . 2 . . . . . . . . 5843 1 1352 . 1 1 110 110 VAL HG22 H 1 1.18 0.02 . 2 . . . . . . . . 5843 1 1353 . 1 1 110 110 VAL HG23 H 1 1.18 0.02 . 2 . . . . . . . . 5843 1 1354 . 1 1 110 110 VAL CG1 C 13 21.8 0.1 . 1 . . . . . . . . 5843 1 1355 . 1 1 110 110 VAL CG2 C 13 22.5 0.1 . 1 . . . . . . . . 5843 1 1356 . 1 1 110 110 VAL C C 13 175.8 0.1 . 1 . . . . . . . . 5843 1 1357 . 1 1 111 111 SER N N 15 123.5 0.1 . 1 . . . . . . . . 5843 1 1358 . 1 1 111 111 SER H H 1 8.70 0.02 . 1 . . . . . . . . 5843 1 1359 . 1 1 111 111 SER CA C 13 58.0 0.1 . 1 . . . . . . . . 5843 1 1360 . 1 1 111 111 SER HA H 1 4.51 0.02 . 1 . . . . . . . . 5843 1 1361 . 1 1 111 111 SER CB C 13 63.9 0.1 . 1 . . . . . . . . 5843 1 1362 . 1 1 111 111 SER HB2 H 1 3.75 0.02 . 2 . . . . . . . . 5843 1 1363 . 1 1 111 111 SER HB3 H 1 3.86 0.02 . 2 . . . . . . . . 5843 1 1364 . 1 1 111 111 SER C C 13 173.3 0.1 . 1 . . . . . . . . 5843 1 1365 . 1 1 112 112 LEU N N 15 132.0 0.1 . 1 . . . . . . . . 5843 1 1366 . 1 1 112 112 LEU H H 1 8.08 0.02 . 1 . . . . . . . . 5843 1 1367 . 1 1 112 112 LEU CA C 13 56.8 0.1 . 1 . . . . . . . . 5843 1 1368 . 1 1 112 112 LEU HA H 1 4.16 0.02 . 1 . . . . . . . . 5843 1 1369 . 1 1 112 112 LEU CB C 13 43.5 0.1 . 1 . . . . . . . . 5843 1 1370 . 1 1 112 112 LEU HB3 H 1 1.51 0.02 . 2 . . . . . . . . 5843 1 1371 . 1 1 112 112 LEU CG C 13 27.3 0.1 . 1 . . . . . . . . 5843 1 1372 . 1 1 112 112 LEU HG H 1 1.50 0.02 . 1 . . . . . . . . 5843 1 1373 . 1 1 112 112 LEU HD11 H 1 0.78 0.02 . 2 . . . . . . . . 5843 1 1374 . 1 1 112 112 LEU HD12 H 1 0.78 0.02 . 2 . . . . . . . . 5843 1 1375 . 1 1 112 112 LEU HD13 H 1 0.78 0.02 . 2 . . . . . . . . 5843 1 1376 . 1 1 112 112 LEU HD21 H 1 0.79 0.02 . 2 . . . . . . . . 5843 1 1377 . 1 1 112 112 LEU HD22 H 1 0.79 0.02 . 2 . . . . . . . . 5843 1 1378 . 1 1 112 112 LEU HD23 H 1 0.79 0.02 . 2 . . . . . . . . 5843 1 1379 . 1 1 112 112 LEU CD1 C 13 25.7 0.1 . 1 . . . . . . . . 5843 1 1380 . 1 1 112 112 LEU CD2 C 13 23.7 0.1 . 1 . . . . . . . . 5843 1 stop_ save_