data_10319 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10319 _Entry.Title ; Solution structure of the PH domain of KIAA0640 protein from human ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-03-11 _Entry.Accession_date 2009-03-11 _Entry.Last_release_date 2010-03-11 _Entry.Original_release_date 2010-03-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 H. Li . . . 10319 2 N. Tochio . . . 10319 3 S. Koshiba . . . 10319 4 M. Inoue . . . 10319 5 T. Kigawa . . . 10319 6 S. Yokoyama . . . 10319 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10319 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10319 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 508 10319 '15N chemical shifts' 109 10319 '1H chemical shifts' 797 10319 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-03-11 2009-03-11 original author . 10319 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DN6 'BMRB Entry Tracking System' 10319 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10319 _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 'Solution structure of the PH domain of KIAA0640 protein from human' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 H. Li . . . 10319 1 2 N. Tochio . . . 10319 1 3 S. Koshiba . . . 10319 1 4 M. Inoue . . . 10319 1 5 T. Kigawa . . . 10319 1 6 S. Yokoyama . . . 10319 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10319 _Assembly.ID 1 _Assembly.Name 'KIAA0640 protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PH domain' 1 $entity_1 . . yes native no no . . . 10319 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 2DN6 . . . . . . 10319 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10319 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PH domain' _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 ; GSSGSSGVLKQGYMMKKGHR RKNWTERWFVLKPNIISYYV SEDLKDKKGDILLDENCCVE SLPDKDGKKCLFLVKCFDKT FEISASDKKKKQEWIQAIHS TIHLLKLGSSGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2015-11-26 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 2DN6 . "Solution Structure Of The Ph Domain Of Kiaa0640 Protein From Human" . . . . . 100.00 115 100.00 100.00 2.20e-76 . . . . 10319 1 2 no DBJ BAA31615 . "KIAA0640 protein [Homo sapiens]" . . . . . 91.30 585 98.10 98.10 5.29e-62 . . . . 10319 1 3 no DBJ BAG09789 . "switch-associated protein 70 [synthetic construct]" . . . . . 91.30 585 98.10 98.10 5.29e-62 . . . . 10319 1 4 no DBJ BAG53381 . "unnamed protein product [Homo sapiens]" . . . . . 91.30 527 98.10 98.10 5.42e-62 . . . . 10319 1 5 no DBJ BAG65007 . "unnamed protein product [Homo sapiens]" . . . . . 91.30 516 98.10 98.10 3.48e-62 . . . . 10319 1 6 no GB AAF24486 . "SWAP-70 [Homo sapiens]" . . . . . 91.30 585 98.10 98.10 5.29e-62 . . . . 10319 1 7 no GB AAF61403 . "SWAP-70 homolog [Homo sapiens]" . . . . . 91.30 585 98.10 98.10 5.29e-62 . . . . 10319 1 8 no GB AAH00616 . "SWAP-70 protein [Homo sapiens]" . . . . . 91.30 585 98.10 98.10 5.29e-62 . . . . 10319 1 9 no GB AIC50910 . "SWAP70, partial [synthetic construct]" . . . . . 91.30 585 98.10 98.10 5.29e-62 . . . . 10319 1 10 no GB EAW68582 . "SWAP-70 protein, isoform CRA_a [Homo sapiens]" . . . . . 91.30 585 98.10 98.10 5.29e-62 . . . . 10319 1 11 no REF NP_001165885 . "SWAP switching B-cell complex 70kDa subunit [Macaca mulatta]" . . . . . 91.30 585 98.10 98.10 5.46e-62 . . . . 10319 1 12 no REF NP_001284643 . "switch-associated protein 70 isoform 2 [Homo sapiens]" . . . . . 91.30 527 98.10 98.10 5.31e-62 . . . . 10319 1 13 no REF NP_055870 . "switch-associated protein 70 isoform 1 [Homo sapiens]" . . . . . 91.30 585 98.10 98.10 5.29e-62 . . . . 10319 1 14 no REF XP_002755082 . "PREDICTED: switch-associated protein 70 [Callithrix jacchus]" . . . . . 91.30 585 97.14 97.14 1.69e-61 . . . . 10319 1 15 no REF XP_002822083 . "PREDICTED: switch-associated protein 70 isoform X1 [Pongo abelii]" . . . . . 91.30 585 98.10 98.10 5.46e-62 . . . . 10319 1 16 no SP Q9UH65 . "RecName: Full=Switch-associated protein 70; Short=SWAP-70" . . . . . 91.30 585 98.10 98.10 5.29e-62 . . . . 10319 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PH domain' . 10319 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 . 10319 1 2 . SER . 10319 1 3 . SER . 10319 1 4 . GLY . 10319 1 5 . SER . 10319 1 6 . SER . 10319 1 7 . GLY . 10319 1 8 . VAL . 10319 1 9 . LEU . 10319 1 10 . LYS . 10319 1 11 . GLN . 10319 1 12 . GLY . 10319 1 13 . TYR . 10319 1 14 . MET . 10319 1 15 . MET . 10319 1 16 . LYS . 10319 1 17 . LYS . 10319 1 18 . GLY . 10319 1 19 . HIS . 10319 1 20 . ARG . 10319 1 21 . ARG . 10319 1 22 . LYS . 10319 1 23 . ASN . 10319 1 24 . TRP . 10319 1 25 . THR . 10319 1 26 . GLU . 10319 1 27 . ARG . 10319 1 28 . TRP . 10319 1 29 . PHE . 10319 1 30 . VAL . 10319 1 31 . LEU . 10319 1 32 . LYS . 10319 1 33 . PRO . 10319 1 34 . ASN . 10319 1 35 . ILE . 10319 1 36 . ILE . 10319 1 37 . SER . 10319 1 38 . TYR . 10319 1 39 . TYR . 10319 1 40 . VAL . 10319 1 41 . SER . 10319 1 42 . GLU . 10319 1 43 . ASP . 10319 1 44 . LEU . 10319 1 45 . LYS . 10319 1 46 . ASP . 10319 1 47 . LYS . 10319 1 48 . LYS . 10319 1 49 . GLY . 10319 1 50 . ASP . 10319 1 51 . ILE . 10319 1 52 . LEU . 10319 1 53 . LEU . 10319 1 54 . ASP . 10319 1 55 . GLU . 10319 1 56 . ASN . 10319 1 57 . CYS . 10319 1 58 . CYS . 10319 1 59 . VAL . 10319 1 60 . GLU . 10319 1 61 . SER . 10319 1 62 . LEU . 10319 1 63 . PRO . 10319 1 64 . ASP . 10319 1 65 . LYS . 10319 1 66 . ASP . 10319 1 67 . GLY . 10319 1 68 . LYS . 10319 1 69 . LYS . 10319 1 70 . CYS . 10319 1 71 . LEU . 10319 1 72 . PHE . 10319 1 73 . LEU . 10319 1 74 . VAL . 10319 1 75 . LYS . 10319 1 76 . CYS . 10319 1 77 . PHE . 10319 1 78 . ASP . 10319 1 79 . LYS . 10319 1 80 . THR . 10319 1 81 . PHE . 10319 1 82 . GLU . 10319 1 83 . ILE . 10319 1 84 . SER . 10319 1 85 . ALA . 10319 1 86 . SER . 10319 1 87 . ASP . 10319 1 88 . LYS . 10319 1 89 . LYS . 10319 1 90 . LYS . 10319 1 91 . LYS . 10319 1 92 . GLN . 10319 1 93 . GLU . 10319 1 94 . TRP . 10319 1 95 . ILE . 10319 1 96 . GLN . 10319 1 97 . ALA . 10319 1 98 . ILE . 10319 1 99 . HIS . 10319 1 100 . SER . 10319 1 101 . THR . 10319 1 102 . ILE . 10319 1 103 . HIS . 10319 1 104 . LEU . 10319 1 105 . LEU . 10319 1 106 . LYS . 10319 1 107 . LEU . 10319 1 108 . GLY . 10319 1 109 . SER . 10319 1 110 . SER . 10319 1 111 . GLY . 10319 1 112 . PRO . 10319 1 113 . SER . 10319 1 114 . SER . 10319 1 115 . GLY . 10319 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 10319 1 . SER 2 2 10319 1 . SER 3 3 10319 1 . GLY 4 4 10319 1 . SER 5 5 10319 1 . SER 6 6 10319 1 . GLY 7 7 10319 1 . VAL 8 8 10319 1 . LEU 9 9 10319 1 . LYS 10 10 10319 1 . GLN 11 11 10319 1 . GLY 12 12 10319 1 . TYR 13 13 10319 1 . MET 14 14 10319 1 . MET 15 15 10319 1 . LYS 16 16 10319 1 . LYS 17 17 10319 1 . GLY 18 18 10319 1 . HIS 19 19 10319 1 . ARG 20 20 10319 1 . ARG 21 21 10319 1 . LYS 22 22 10319 1 . ASN 23 23 10319 1 . TRP 24 24 10319 1 . THR 25 25 10319 1 . GLU 26 26 10319 1 . ARG 27 27 10319 1 . TRP 28 28 10319 1 . PHE 29 29 10319 1 . VAL 30 30 10319 1 . LEU 31 31 10319 1 . LYS 32 32 10319 1 . PRO 33 33 10319 1 . ASN 34 34 10319 1 . ILE 35 35 10319 1 . ILE 36 36 10319 1 . SER 37 37 10319 1 . TYR 38 38 10319 1 . TYR 39 39 10319 1 . VAL 40 40 10319 1 . SER 41 41 10319 1 . GLU 42 42 10319 1 . ASP 43 43 10319 1 . LEU 44 44 10319 1 . LYS 45 45 10319 1 . ASP 46 46 10319 1 . LYS 47 47 10319 1 . LYS 48 48 10319 1 . GLY 49 49 10319 1 . ASP 50 50 10319 1 . ILE 51 51 10319 1 . LEU 52 52 10319 1 . LEU 53 53 10319 1 . ASP 54 54 10319 1 . GLU 55 55 10319 1 . ASN 56 56 10319 1 . CYS 57 57 10319 1 . CYS 58 58 10319 1 . VAL 59 59 10319 1 . GLU 60 60 10319 1 . SER 61 61 10319 1 . LEU 62 62 10319 1 . PRO 63 63 10319 1 . ASP 64 64 10319 1 . LYS 65 65 10319 1 . ASP 66 66 10319 1 . GLY 67 67 10319 1 . LYS 68 68 10319 1 . LYS 69 69 10319 1 . CYS 70 70 10319 1 . LEU 71 71 10319 1 . PHE 72 72 10319 1 . LEU 73 73 10319 1 . VAL 74 74 10319 1 . LYS 75 75 10319 1 . CYS 76 76 10319 1 . PHE 77 77 10319 1 . ASP 78 78 10319 1 . LYS 79 79 10319 1 . THR 80 80 10319 1 . PHE 81 81 10319 1 . GLU 82 82 10319 1 . ILE 83 83 10319 1 . SER 84 84 10319 1 . ALA 85 85 10319 1 . SER 86 86 10319 1 . ASP 87 87 10319 1 . LYS 88 88 10319 1 . LYS 89 89 10319 1 . LYS 90 90 10319 1 . LYS 91 91 10319 1 . GLN 92 92 10319 1 . GLU 93 93 10319 1 . TRP 94 94 10319 1 . ILE 95 95 10319 1 . GLN 96 96 10319 1 . ALA 97 97 10319 1 . ILE 98 98 10319 1 . HIS 99 99 10319 1 . SER 100 100 10319 1 . THR 101 101 10319 1 . ILE 102 102 10319 1 . HIS 103 103 10319 1 . LEU 104 104 10319 1 . LEU 105 105 10319 1 . LYS 106 106 10319 1 . LEU 107 107 10319 1 . GLY 108 108 10319 1 . SER 109 109 10319 1 . SER 110 110 10319 1 . GLY 111 111 10319 1 . PRO 112 112 10319 1 . SER 113 113 10319 1 . SER 114 114 10319 1 . GLY 115 115 10319 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 10319 _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 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10319 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 10319 _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 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P050919-04 . . . . . . 10319 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10319 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PH domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.17 . . mM . . . . 10319 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10319 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10319 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10319 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10319 1 6 H2O . . . . . . solvent 90 . . % . . . . 10319 1 7 D2O . . . . . . solvent 10 . . % . . . . 10319 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10319 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 10319 1 pH 7.0 0.05 pH 10319 1 pressure 1 0.001 atm 10319 1 temperature 296 0.1 K 10319 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10319 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10319 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10319 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10319 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10319 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10319 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10319 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10319 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10319 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10319 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10319 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10319 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10319 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10319 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10319 5 'structure solution' 10319 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10319 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10319 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 900 . . . 10319 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 10319 _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' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10319 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10319 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10319 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10319 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10319 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10319 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10319 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10319 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10319 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 6 6 SER HA H 1 4.433 0.030 . 1 . . . . 6 SER HA . 10319 1 2 . 1 1 6 6 SER HB2 H 1 3.896 0.030 . 2 . . . . 6 SER HB2 . 10319 1 3 . 1 1 6 6 SER C C 13 174.988 0.300 . 1 . . . . 6 SER C . 10319 1 4 . 1 1 6 6 SER CA C 13 58.723 0.300 . 1 . . . . 6 SER CA . 10319 1 5 . 1 1 6 6 SER CB C 13 63.589 0.300 . 1 . . . . 6 SER CB . 10319 1 6 . 1 1 7 7 GLY H H 1 8.412 0.030 . 1 . . . . 7 GLY H . 10319 1 7 . 1 1 7 7 GLY HA2 H 1 3.918 0.030 . 2 . . . . 7 GLY HA2 . 10319 1 8 . 1 1 7 7 GLY HA3 H 1 3.878 0.030 . 2 . . . . 7 GLY HA3 . 10319 1 9 . 1 1 7 7 GLY C C 13 173.169 0.300 . 1 . . . . 7 GLY C . 10319 1 10 . 1 1 7 7 GLY CA C 13 45.392 0.300 . 1 . . . . 7 GLY CA . 10319 1 11 . 1 1 7 7 GLY N N 15 110.910 0.300 . 1 . . . . 7 GLY N . 10319 1 12 . 1 1 8 8 VAL H H 1 7.760 0.030 . 1 . . . . 8 VAL H . 10319 1 13 . 1 1 8 8 VAL HA H 1 3.921 0.030 . 1 . . . . 8 VAL HA . 10319 1 14 . 1 1 8 8 VAL HB H 1 1.948 0.030 . 1 . . . . 8 VAL HB . 10319 1 15 . 1 1 8 8 VAL HG11 H 1 0.905 0.030 . 1 . . . . 8 VAL HG1 . 10319 1 16 . 1 1 8 8 VAL HG12 H 1 0.905 0.030 . 1 . . . . 8 VAL HG1 . 10319 1 17 . 1 1 8 8 VAL HG13 H 1 0.905 0.030 . 1 . . . . 8 VAL HG1 . 10319 1 18 . 1 1 8 8 VAL HG21 H 1 0.868 0.030 . 1 . . . . 8 VAL HG2 . 10319 1 19 . 1 1 8 8 VAL HG22 H 1 0.868 0.030 . 1 . . . . 8 VAL HG2 . 10319 1 20 . 1 1 8 8 VAL HG23 H 1 0.868 0.030 . 1 . . . . 8 VAL HG2 . 10319 1 21 . 1 1 8 8 VAL C C 13 176.587 0.300 . 1 . . . . 8 VAL C . 10319 1 22 . 1 1 8 8 VAL CA C 13 63.384 0.300 . 1 . . . . 8 VAL CA . 10319 1 23 . 1 1 8 8 VAL CB C 13 32.803 0.300 . 1 . . . . 8 VAL CB . 10319 1 24 . 1 1 8 8 VAL CG1 C 13 21.984 0.300 . 2 . . . . 8 VAL CG1 . 10319 1 25 . 1 1 8 8 VAL CG2 C 13 21.710 0.300 . 2 . . . . 8 VAL CG2 . 10319 1 26 . 1 1 8 8 VAL N N 15 118.872 0.300 . 1 . . . . 8 VAL N . 10319 1 27 . 1 1 9 9 LEU H H 1 9.176 0.030 . 1 . . . . 9 LEU H . 10319 1 28 . 1 1 9 9 LEU HA H 1 4.264 0.030 . 1 . . . . 9 LEU HA . 10319 1 29 . 1 1 9 9 LEU HB2 H 1 1.376 0.030 . 2 . . . . 9 LEU HB2 . 10319 1 30 . 1 1 9 9 LEU HB3 H 1 1.285 0.030 . 2 . . . . 9 LEU HB3 . 10319 1 31 . 1 1 9 9 LEU HD11 H 1 0.727 0.030 . 1 . . . . 9 LEU HD1 . 10319 1 32 . 1 1 9 9 LEU HD12 H 1 0.727 0.030 . 1 . . . . 9 LEU HD1 . 10319 1 33 . 1 1 9 9 LEU HD13 H 1 0.727 0.030 . 1 . . . . 9 LEU HD1 . 10319 1 34 . 1 1 9 9 LEU HD21 H 1 0.756 0.030 . 1 . . . . 9 LEU HD2 . 10319 1 35 . 1 1 9 9 LEU HD22 H 1 0.756 0.030 . 1 . . . . 9 LEU HD2 . 10319 1 36 . 1 1 9 9 LEU HD23 H 1 0.756 0.030 . 1 . . . . 9 LEU HD2 . 10319 1 37 . 1 1 9 9 LEU HG H 1 1.599 0.030 . 1 . . . . 9 LEU HG . 10319 1 38 . 1 1 9 9 LEU C C 13 177.344 0.300 . 1 . . . . 9 LEU C . 10319 1 39 . 1 1 9 9 LEU CA C 13 55.945 0.300 . 1 . . . . 9 LEU CA . 10319 1 40 . 1 1 9 9 LEU CB C 13 42.586 0.300 . 1 . . . . 9 LEU CB . 10319 1 41 . 1 1 9 9 LEU CD1 C 13 25.446 0.300 . 2 . . . . 9 LEU CD1 . 10319 1 42 . 1 1 9 9 LEU CD2 C 13 22.792 0.300 . 2 . . . . 9 LEU CD2 . 10319 1 43 . 1 1 9 9 LEU CG C 13 27.419 0.300 . 1 . . . . 9 LEU CG . 10319 1 44 . 1 1 9 9 LEU N N 15 128.003 0.300 . 1 . . . . 9 LEU N . 10319 1 45 . 1 1 10 10 LYS H H 1 7.405 0.030 . 1 . . . . 10 LYS H . 10319 1 46 . 1 1 10 10 LYS HA H 1 4.112 0.030 . 1 . . . . 10 LYS HA . 10319 1 47 . 1 1 10 10 LYS HB2 H 1 1.096 0.030 . 2 . . . . 10 LYS HB2 . 10319 1 48 . 1 1 10 10 LYS HB3 H 1 0.667 0.030 . 2 . . . . 10 LYS HB3 . 10319 1 49 . 1 1 10 10 LYS HD2 H 1 -0.206 0.030 . 2 . . . . 10 LYS HD2 . 10319 1 50 . 1 1 10 10 LYS HD3 H 1 0.647 0.030 . 2 . . . . 10 LYS HD3 . 10319 1 51 . 1 1 10 10 LYS HE2 H 1 1.907 0.030 . 2 . . . . 10 LYS HE2 . 10319 1 52 . 1 1 10 10 LYS HE3 H 1 1.558 0.030 . 2 . . . . 10 LYS HE3 . 10319 1 53 . 1 1 10 10 LYS HG2 H 1 0.117 0.030 . 2 . . . . 10 LYS HG2 . 10319 1 54 . 1 1 10 10 LYS HG3 H 1 0.828 0.030 . 2 . . . . 10 LYS HG3 . 10319 1 55 . 1 1 10 10 LYS C C 13 172.535 0.300 . 1 . . . . 10 LYS C . 10319 1 56 . 1 1 10 10 LYS CA C 13 56.314 0.300 . 1 . . . . 10 LYS CA . 10319 1 57 . 1 1 10 10 LYS CB C 13 35.393 0.300 . 1 . . . . 10 LYS CB . 10319 1 58 . 1 1 10 10 LYS CD C 13 28.652 0.300 . 1 . . . . 10 LYS CD . 10319 1 59 . 1 1 10 10 LYS CE C 13 40.407 0.300 . 1 . . . . 10 LYS CE . 10319 1 60 . 1 1 10 10 LYS CG C 13 25.007 0.300 . 1 . . . . 10 LYS CG . 10319 1 61 . 1 1 10 10 LYS N N 15 118.701 0.300 . 1 . . . . 10 LYS N . 10319 1 62 . 1 1 11 11 GLN H H 1 8.298 0.030 . 1 . . . . 11 GLN H . 10319 1 63 . 1 1 11 11 GLN HA H 1 5.813 0.030 . 1 . . . . 11 GLN HA . 10319 1 64 . 1 1 11 11 GLN HB2 H 1 2.227 0.030 . 2 . . . . 11 GLN HB2 . 10319 1 65 . 1 1 11 11 GLN HB3 H 1 1.791 0.030 . 2 . . . . 11 GLN HB3 . 10319 1 66 . 1 1 11 11 GLN HE21 H 1 7.787 0.030 . 2 . . . . 11 GLN HE21 . 10319 1 67 . 1 1 11 11 GLN HE22 H 1 6.896 0.030 . 2 . . . . 11 GLN HE22 . 10319 1 68 . 1 1 11 11 GLN HG2 H 1 2.357 0.030 . 1 . . . . 11 GLN HG2 . 10319 1 69 . 1 1 11 11 GLN HG3 H 1 2.357 0.030 . 1 . . . . 11 GLN HG3 . 10319 1 70 . 1 1 11 11 GLN C C 13 174.893 0.300 . 1 . . . . 11 GLN C . 10319 1 71 . 1 1 11 11 GLN CA C 13 53.693 0.300 . 1 . . . . 11 GLN CA . 10319 1 72 . 1 1 11 11 GLN CB C 13 31.488 0.300 . 1 . . . . 11 GLN CB . 10319 1 73 . 1 1 11 11 GLN CG C 13 32.149 0.300 . 1 . . . . 11 GLN CG . 10319 1 74 . 1 1 11 11 GLN N N 15 119.574 0.300 . 1 . . . . 11 GLN N . 10319 1 75 . 1 1 11 11 GLN NE2 N 15 111.955 0.300 . 1 . . . . 11 GLN NE2 . 10319 1 76 . 1 1 12 12 GLY H H 1 7.799 0.030 . 1 . . . . 12 GLY H . 10319 1 77 . 1 1 12 12 GLY HA2 H 1 4.237 0.030 . 2 . . . . 12 GLY HA2 . 10319 1 78 . 1 1 12 12 GLY HA3 H 1 2.871 0.030 . 2 . . . . 12 GLY HA3 . 10319 1 79 . 1 1 12 12 GLY C C 13 171.859 0.300 . 1 . . . . 12 GLY C . 10319 1 80 . 1 1 12 12 GLY CA C 13 45.375 0.300 . 1 . . . . 12 GLY CA . 10319 1 81 . 1 1 12 12 GLY N N 15 108.767 0.300 . 1 . . . . 12 GLY N . 10319 1 82 . 1 1 13 13 TYR H H 1 8.637 0.030 . 1 . . . . 13 TYR H . 10319 1 83 . 1 1 13 13 TYR HA H 1 5.716 0.030 . 1 . . . . 13 TYR HA . 10319 1 84 . 1 1 13 13 TYR HB2 H 1 2.968 0.030 . 2 . . . . 13 TYR HB2 . 10319 1 85 . 1 1 13 13 TYR HB3 H 1 3.199 0.030 . 2 . . . . 13 TYR HB3 . 10319 1 86 . 1 1 13 13 TYR HD1 H 1 7.427 0.030 . 1 . . . . 13 TYR HD1 . 10319 1 87 . 1 1 13 13 TYR HD2 H 1 7.427 0.030 . 1 . . . . 13 TYR HD2 . 10319 1 88 . 1 1 13 13 TYR HE1 H 1 7.136 0.030 . 1 . . . . 13 TYR HE1 . 10319 1 89 . 1 1 13 13 TYR HE2 H 1 7.136 0.030 . 1 . . . . 13 TYR HE2 . 10319 1 90 . 1 1 13 13 TYR C C 13 178.044 0.300 . 1 . . . . 13 TYR C . 10319 1 91 . 1 1 13 13 TYR CA C 13 59.673 0.300 . 1 . . . . 13 TYR CA . 10319 1 92 . 1 1 13 13 TYR CB C 13 39.886 0.300 . 1 . . . . 13 TYR CB . 10319 1 93 . 1 1 13 13 TYR CD1 C 13 133.436 0.300 . 1 . . . . 13 TYR CD1 . 10319 1 94 . 1 1 13 13 TYR CD2 C 13 133.436 0.300 . 1 . . . . 13 TYR CD2 . 10319 1 95 . 1 1 13 13 TYR CE1 C 13 119.598 0.300 . 1 . . . . 13 TYR CE1 . 10319 1 96 . 1 1 13 13 TYR CE2 C 13 119.598 0.300 . 1 . . . . 13 TYR CE2 . 10319 1 97 . 1 1 13 13 TYR N N 15 119.460 0.300 . 1 . . . . 13 TYR N . 10319 1 98 . 1 1 14 14 MET H H 1 9.496 0.030 . 1 . . . . 14 MET H . 10319 1 99 . 1 1 14 14 MET HA H 1 4.769 0.030 . 1 . . . . 14 MET HA . 10319 1 100 . 1 1 14 14 MET HB2 H 1 1.639 0.030 . 2 . . . . 14 MET HB2 . 10319 1 101 . 1 1 14 14 MET HB3 H 1 1.357 0.030 . 2 . . . . 14 MET HB3 . 10319 1 102 . 1 1 14 14 MET HE1 H 1 -0.173 0.030 . 1 . . . . 14 MET HE . 10319 1 103 . 1 1 14 14 MET HE2 H 1 -0.173 0.030 . 1 . . . . 14 MET HE . 10319 1 104 . 1 1 14 14 MET HE3 H 1 -0.173 0.030 . 1 . . . . 14 MET HE . 10319 1 105 . 1 1 14 14 MET HG2 H 1 2.213 0.030 . 2 . . . . 14 MET HG2 . 10319 1 106 . 1 1 14 14 MET HG3 H 1 1.642 0.030 . 2 . . . . 14 MET HG3 . 10319 1 107 . 1 1 14 14 MET C C 13 174.241 0.300 . 1 . . . . 14 MET C . 10319 1 108 . 1 1 14 14 MET CA C 13 55.592 0.300 . 1 . . . . 14 MET CA . 10319 1 109 . 1 1 14 14 MET CB C 13 38.640 0.300 . 1 . . . . 14 MET CB . 10319 1 110 . 1 1 14 14 MET CE C 13 15.711 0.300 . 1 . . . . 14 MET CE . 10319 1 111 . 1 1 14 14 MET CG C 13 33.829 0.300 . 1 . . . . 14 MET CG . 10319 1 112 . 1 1 14 14 MET N N 15 120.177 0.300 . 1 . . . . 14 MET N . 10319 1 113 . 1 1 15 15 MET H H 1 8.447 0.030 . 1 . . . . 15 MET H . 10319 1 114 . 1 1 15 15 MET HA H 1 5.518 0.030 . 1 . . . . 15 MET HA . 10319 1 115 . 1 1 15 15 MET HB2 H 1 2.176 0.030 . 2 . . . . 15 MET HB2 . 10319 1 116 . 1 1 15 15 MET HB3 H 1 2.008 0.030 . 2 . . . . 15 MET HB3 . 10319 1 117 . 1 1 15 15 MET HE1 H 1 1.996 0.030 . 1 . . . . 15 MET HE . 10319 1 118 . 1 1 15 15 MET HE2 H 1 1.996 0.030 . 1 . . . . 15 MET HE . 10319 1 119 . 1 1 15 15 MET HE3 H 1 1.996 0.030 . 1 . . . . 15 MET HE . 10319 1 120 . 1 1 15 15 MET HG2 H 1 2.396 0.030 . 2 . . . . 15 MET HG2 . 10319 1 121 . 1 1 15 15 MET HG3 H 1 2.717 0.030 . 2 . . . . 15 MET HG3 . 10319 1 122 . 1 1 15 15 MET C C 13 174.722 0.300 . 1 . . . . 15 MET C . 10319 1 123 . 1 1 15 15 MET CA C 13 54.555 0.300 . 1 . . . . 15 MET CA . 10319 1 124 . 1 1 15 15 MET CB C 13 35.270 0.300 . 1 . . . . 15 MET CB . 10319 1 125 . 1 1 15 15 MET CE C 13 17.490 0.300 . 1 . . . . 15 MET CE . 10319 1 126 . 1 1 15 15 MET CG C 13 32.796 0.300 . 1 . . . . 15 MET CG . 10319 1 127 . 1 1 15 15 MET N N 15 117.105 0.300 . 1 . . . . 15 MET N . 10319 1 128 . 1 1 16 16 LYS H H 1 9.214 0.030 . 1 . . . . 16 LYS H . 10319 1 129 . 1 1 16 16 LYS HA H 1 5.097 0.030 . 1 . . . . 16 LYS HA . 10319 1 130 . 1 1 16 16 LYS HB2 H 1 1.623 0.030 . 2 . . . . 16 LYS HB2 . 10319 1 131 . 1 1 16 16 LYS HB3 H 1 1.547 0.030 . 2 . . . . 16 LYS HB3 . 10319 1 132 . 1 1 16 16 LYS HD2 H 1 0.886 0.030 . 2 . . . . 16 LYS HD2 . 10319 1 133 . 1 1 16 16 LYS HD3 H 1 1.025 0.030 . 2 . . . . 16 LYS HD3 . 10319 1 134 . 1 1 16 16 LYS HE2 H 1 2.504 0.030 . 2 . . . . 16 LYS HE2 . 10319 1 135 . 1 1 16 16 LYS HE3 H 1 2.416 0.030 . 2 . . . . 16 LYS HE3 . 10319 1 136 . 1 1 16 16 LYS HG2 H 1 1.236 0.030 . 2 . . . . 16 LYS HG2 . 10319 1 137 . 1 1 16 16 LYS HG3 H 1 1.128 0.030 . 2 . . . . 16 LYS HG3 . 10319 1 138 . 1 1 16 16 LYS C C 13 175.130 0.300 . 1 . . . . 16 LYS C . 10319 1 139 . 1 1 16 16 LYS CA C 13 54.291 0.300 . 1 . . . . 16 LYS CA . 10319 1 140 . 1 1 16 16 LYS CB C 13 35.680 0.300 . 1 . . . . 16 LYS CB . 10319 1 141 . 1 1 16 16 LYS CD C 13 28.705 0.300 . 1 . . . . 16 LYS CD . 10319 1 142 . 1 1 16 16 LYS CE C 13 41.161 0.300 . 1 . . . . 16 LYS CE . 10319 1 143 . 1 1 16 16 LYS CG C 13 23.665 0.300 . 1 . . . . 16 LYS CG . 10319 1 144 . 1 1 16 16 LYS N N 15 121.439 0.300 . 1 . . . . 16 LYS N . 10319 1 145 . 1 1 17 17 LYS H H 1 7.969 0.030 . 1 . . . . 17 LYS H . 10319 1 146 . 1 1 17 17 LYS HA H 1 3.517 0.030 . 1 . . . . 17 LYS HA . 10319 1 147 . 1 1 17 17 LYS HB2 H 1 0.968 0.030 . 2 . . . . 17 LYS HB2 . 10319 1 148 . 1 1 17 17 LYS HB3 H 1 -0.244 0.030 . 2 . . . . 17 LYS HB3 . 10319 1 149 . 1 1 17 17 LYS HD2 H 1 1.077 0.030 . 2 . . . . 17 LYS HD2 . 10319 1 150 . 1 1 17 17 LYS HD3 H 1 1.006 0.030 . 2 . . . . 17 LYS HD3 . 10319 1 151 . 1 1 17 17 LYS HE2 H 1 2.501 0.030 . 1 . . . . 17 LYS HE2 . 10319 1 152 . 1 1 17 17 LYS HE3 H 1 2.501 0.030 . 1 . . . . 17 LYS HE3 . 10319 1 153 . 1 1 17 17 LYS HG2 H 1 -0.083 0.030 . 2 . . . . 17 LYS HG2 . 10319 1 154 . 1 1 17 17 LYS HG3 H 1 0.737 0.030 . 2 . . . . 17 LYS HG3 . 10319 1 155 . 1 1 17 17 LYS C C 13 177.226 0.300 . 1 . . . . 17 LYS C . 10319 1 156 . 1 1 17 17 LYS CA C 13 56.145 0.300 . 1 . . . . 17 LYS CA . 10319 1 157 . 1 1 17 17 LYS CB C 13 32.228 0.300 . 1 . . . . 17 LYS CB . 10319 1 158 . 1 1 17 17 LYS CD C 13 28.899 0.300 . 1 . . . . 17 LYS CD . 10319 1 159 . 1 1 17 17 LYS CE C 13 41.696 0.300 . 1 . . . . 17 LYS CE . 10319 1 160 . 1 1 17 17 LYS CG C 13 24.015 0.300 . 1 . . . . 17 LYS CG . 10319 1 161 . 1 1 17 17 LYS N N 15 130.524 0.300 . 1 . . . . 17 LYS N . 10319 1 162 . 1 1 18 18 GLY H H 1 8.479 0.030 . 1 . . . . 18 GLY H . 10319 1 163 . 1 1 18 18 GLY HA2 H 1 4.057 0.030 . 2 . . . . 18 GLY HA2 . 10319 1 164 . 1 1 18 18 GLY HA3 H 1 3.807 0.030 . 2 . . . . 18 GLY HA3 . 10319 1 165 . 1 1 18 18 GLY CA C 13 45.427 0.300 . 1 . . . . 18 GLY CA . 10319 1 166 . 1 1 18 18 GLY N N 15 116.155 0.300 . 1 . . . . 18 GLY N . 10319 1 167 . 1 1 19 19 HIS HA H 1 4.367 0.030 . 1 . . . . 19 HIS HA . 10319 1 168 . 1 1 19 19 HIS HB2 H 1 3.067 0.030 . 1 . . . . 19 HIS HB2 . 10319 1 169 . 1 1 19 19 HIS HB3 H 1 3.067 0.030 . 1 . . . . 19 HIS HB3 . 10319 1 170 . 1 1 19 19 HIS HD2 H 1 6.965 0.030 . 1 . . . . 19 HIS HD2 . 10319 1 171 . 1 1 19 19 HIS HE1 H 1 7.643 0.030 . 1 . . . . 19 HIS HE1 . 10319 1 172 . 1 1 19 19 HIS CA C 13 58.229 0.300 . 1 . . . . 19 HIS CA . 10319 1 173 . 1 1 19 19 HIS CB C 13 31.220 0.300 . 1 . . . . 19 HIS CB . 10319 1 174 . 1 1 19 19 HIS CD2 C 13 119.146 0.300 . 1 . . . . 19 HIS CD2 . 10319 1 175 . 1 1 19 19 HIS CE1 C 13 138.753 0.300 . 1 . . . . 19 HIS CE1 . 10319 1 176 . 1 1 20 20 ARG H H 1 8.047 0.030 . 1 . . . . 20 ARG H . 10319 1 177 . 1 1 20 20 ARG HA H 1 4.227 0.030 . 1 . . . . 20 ARG HA . 10319 1 178 . 1 1 20 20 ARG HB2 H 1 1.858 0.030 . 2 . . . . 20 ARG HB2 . 10319 1 179 . 1 1 20 20 ARG HB3 H 1 1.689 0.030 . 2 . . . . 20 ARG HB3 . 10319 1 180 . 1 1 20 20 ARG HD2 H 1 3.164 0.030 . 1 . . . . 20 ARG HD2 . 10319 1 181 . 1 1 20 20 ARG HD3 H 1 3.164 0.030 . 1 . . . . 20 ARG HD3 . 10319 1 182 . 1 1 20 20 ARG HG2 H 1 1.507 0.030 . 2 . . . . 20 ARG HG2 . 10319 1 183 . 1 1 20 20 ARG HG3 H 1 1.583 0.030 . 2 . . . . 20 ARG HG3 . 10319 1 184 . 1 1 20 20 ARG CA C 13 55.917 0.300 . 1 . . . . 20 ARG CA . 10319 1 185 . 1 1 20 20 ARG CB C 13 30.767 0.300 . 1 . . . . 20 ARG CB . 10319 1 186 . 1 1 20 20 ARG CD C 13 43.224 0.300 . 1 . . . . 20 ARG CD . 10319 1 187 . 1 1 20 20 ARG CG C 13 27.362 0.300 . 1 . . . . 20 ARG CG . 10319 1 188 . 1 1 21 21 ARG HA H 1 4.107 0.030 . 1 . . . . 21 ARG HA . 10319 1 189 . 1 1 21 21 ARG HB2 H 1 1.853 0.030 . 2 . . . . 21 ARG HB2 . 10319 1 190 . 1 1 21 21 ARG HB3 H 1 1.755 0.030 . 2 . . . . 21 ARG HB3 . 10319 1 191 . 1 1 21 21 ARG HD2 H 1 3.137 0.030 . 1 . . . . 21 ARG HD2 . 10319 1 192 . 1 1 21 21 ARG HD3 H 1 3.137 0.030 . 1 . . . . 21 ARG HD3 . 10319 1 193 . 1 1 21 21 ARG HG2 H 1 1.387 0.030 . 1 . . . . 21 ARG HG2 . 10319 1 194 . 1 1 21 21 ARG HG3 H 1 1.387 0.030 . 1 . . . . 21 ARG HG3 . 10319 1 195 . 1 1 21 21 ARG CA C 13 57.431 0.300 . 1 . . . . 21 ARG CA . 10319 1 196 . 1 1 21 21 ARG CB C 13 29.958 0.300 . 1 . . . . 21 ARG CB . 10319 1 197 . 1 1 21 21 ARG CD C 13 43.272 0.300 . 1 . . . . 21 ARG CD . 10319 1 198 . 1 1 21 21 ARG CG C 13 27.353 0.300 . 1 . . . . 21 ARG CG . 10319 1 199 . 1 1 22 22 LYS H H 1 8.477 0.030 . 1 . . . . 22 LYS H . 10319 1 200 . 1 1 22 22 LYS HA H 1 4.072 0.030 . 1 . . . . 22 LYS HA . 10319 1 201 . 1 1 22 22 LYS HB2 H 1 1.807 0.030 . 1 . . . . 22 LYS HB2 . 10319 1 202 . 1 1 22 22 LYS HB3 H 1 1.807 0.030 . 1 . . . . 22 LYS HB3 . 10319 1 203 . 1 1 22 22 LYS HD2 H 1 1.587 0.030 . 1 . . . . 22 LYS HD2 . 10319 1 204 . 1 1 22 22 LYS HD3 H 1 1.587 0.030 . 1 . . . . 22 LYS HD3 . 10319 1 205 . 1 1 22 22 LYS HE2 H 1 2.929 0.030 . 1 . . . . 22 LYS HE2 . 10319 1 206 . 1 1 22 22 LYS HE3 H 1 2.929 0.030 . 1 . . . . 22 LYS HE3 . 10319 1 207 . 1 1 22 22 LYS HG2 H 1 1.247 0.030 . 2 . . . . 22 LYS HG2 . 10319 1 208 . 1 1 22 22 LYS HG3 H 1 1.302 0.030 . 2 . . . . 22 LYS HG3 . 10319 1 209 . 1 1 22 22 LYS C C 13 175.210 0.300 . 1 . . . . 22 LYS C . 10319 1 210 . 1 1 22 22 LYS CA C 13 56.402 0.300 . 1 . . . . 22 LYS CA . 10319 1 211 . 1 1 22 22 LYS CB C 13 30.871 0.300 . 1 . . . . 22 LYS CB . 10319 1 212 . 1 1 22 22 LYS CD C 13 29.063 0.300 . 1 . . . . 22 LYS CD . 10319 1 213 . 1 1 22 22 LYS CE C 13 42.298 0.300 . 1 . . . . 22 LYS CE . 10319 1 214 . 1 1 22 22 LYS CG C 13 24.870 0.300 . 1 . . . . 22 LYS CG . 10319 1 215 . 1 1 23 23 ASN H H 1 7.953 0.030 . 1 . . . . 23 ASN H . 10319 1 216 . 1 1 23 23 ASN HA H 1 4.859 0.030 . 1 . . . . 23 ASN HA . 10319 1 217 . 1 1 23 23 ASN HB2 H 1 2.747 0.030 . 2 . . . . 23 ASN HB2 . 10319 1 218 . 1 1 23 23 ASN HB3 H 1 2.704 0.030 . 2 . . . . 23 ASN HB3 . 10319 1 219 . 1 1 23 23 ASN HD21 H 1 7.557 0.030 . 2 . . . . 23 ASN HD21 . 10319 1 220 . 1 1 23 23 ASN HD22 H 1 6.876 0.030 . 2 . . . . 23 ASN HD22 . 10319 1 221 . 1 1 23 23 ASN C C 13 173.969 0.300 . 1 . . . . 23 ASN C . 10319 1 222 . 1 1 23 23 ASN CA C 13 52.321 0.300 . 1 . . . . 23 ASN CA . 10319 1 223 . 1 1 23 23 ASN CB C 13 39.873 0.300 . 1 . . . . 23 ASN CB . 10319 1 224 . 1 1 23 23 ASN N N 15 116.821 0.300 . 1 . . . . 23 ASN N . 10319 1 225 . 1 1 23 23 ASN ND2 N 15 113.154 0.300 . 1 . . . . 23 ASN ND2 . 10319 1 226 . 1 1 24 24 TRP H H 1 8.715 0.030 . 1 . . . . 24 TRP H . 10319 1 227 . 1 1 24 24 TRP HA H 1 4.886 0.030 . 1 . . . . 24 TRP HA . 10319 1 228 . 1 1 24 24 TRP HB2 H 1 2.987 0.030 . 2 . . . . 24 TRP HB2 . 10319 1 229 . 1 1 24 24 TRP HB3 H 1 2.915 0.030 . 2 . . . . 24 TRP HB3 . 10319 1 230 . 1 1 24 24 TRP HD1 H 1 7.287 0.030 . 1 . . . . 24 TRP HD1 . 10319 1 231 . 1 1 24 24 TRP HE1 H 1 10.395 0.030 . 1 . . . . 24 TRP HE1 . 10319 1 232 . 1 1 24 24 TRP HE3 H 1 6.928 0.030 . 1 . . . . 24 TRP HE3 . 10319 1 233 . 1 1 24 24 TRP HH2 H 1 6.832 0.030 . 1 . . . . 24 TRP HH2 . 10319 1 234 . 1 1 24 24 TRP HZ2 H 1 7.371 0.030 . 1 . . . . 24 TRP HZ2 . 10319 1 235 . 1 1 24 24 TRP HZ3 H 1 6.648 0.030 . 1 . . . . 24 TRP HZ3 . 10319 1 236 . 1 1 24 24 TRP C C 13 176.250 0.300 . 1 . . . . 24 TRP C . 10319 1 237 . 1 1 24 24 TRP CA C 13 56.859 0.300 . 1 . . . . 24 TRP CA . 10319 1 238 . 1 1 24 24 TRP CB C 13 30.994 0.300 . 1 . . . . 24 TRP CB . 10319 1 239 . 1 1 24 24 TRP CD1 C 13 127.281 0.300 . 1 . . . . 24 TRP CD1 . 10319 1 240 . 1 1 24 24 TRP CE3 C 13 118.841 0.300 . 1 . . . . 24 TRP CE3 . 10319 1 241 . 1 1 24 24 TRP CH2 C 13 124.754 0.300 . 1 . . . . 24 TRP CH2 . 10319 1 242 . 1 1 24 24 TRP CZ2 C 13 114.593 0.300 . 1 . . . . 24 TRP CZ2 . 10319 1 243 . 1 1 24 24 TRP CZ3 C 13 122.532 0.300 . 1 . . . . 24 TRP CZ3 . 10319 1 244 . 1 1 24 24 TRP N N 15 122.462 0.300 . 1 . . . . 24 TRP N . 10319 1 245 . 1 1 24 24 TRP NE1 N 15 130.503 0.300 . 1 . . . . 24 TRP NE1 . 10319 1 246 . 1 1 25 25 THR H H 1 8.750 0.030 . 1 . . . . 25 THR H . 10319 1 247 . 1 1 25 25 THR HA H 1 4.687 0.030 . 1 . . . . 25 THR HA . 10319 1 248 . 1 1 25 25 THR HB H 1 3.857 0.030 . 1 . . . . 25 THR HB . 10319 1 249 . 1 1 25 25 THR HG21 H 1 1.217 0.030 . 1 . . . . 25 THR HG2 . 10319 1 250 . 1 1 25 25 THR HG22 H 1 1.217 0.030 . 1 . . . . 25 THR HG2 . 10319 1 251 . 1 1 25 25 THR HG23 H 1 1.217 0.030 . 1 . . . . 25 THR HG2 . 10319 1 252 . 1 1 25 25 THR C C 13 173.186 0.300 . 1 . . . . 25 THR C . 10319 1 253 . 1 1 25 25 THR CA C 13 60.957 0.300 . 1 . . . . 25 THR CA . 10319 1 254 . 1 1 25 25 THR CB C 13 71.872 0.300 . 1 . . . . 25 THR CB . 10319 1 255 . 1 1 25 25 THR CG2 C 13 21.318 0.300 . 1 . . . . 25 THR CG2 . 10319 1 256 . 1 1 25 25 THR N N 15 116.552 0.300 . 1 . . . . 25 THR N . 10319 1 257 . 1 1 26 26 GLU H H 1 9.218 0.030 . 1 . . . . 26 GLU H . 10319 1 258 . 1 1 26 26 GLU HA H 1 4.883 0.030 . 1 . . . . 26 GLU HA . 10319 1 259 . 1 1 26 26 GLU HB2 H 1 2.185 0.030 . 2 . . . . 26 GLU HB2 . 10319 1 260 . 1 1 26 26 GLU HB3 H 1 1.958 0.030 . 2 . . . . 26 GLU HB3 . 10319 1 261 . 1 1 26 26 GLU HG2 H 1 2.207 0.030 . 1 . . . . 26 GLU HG2 . 10319 1 262 . 1 1 26 26 GLU HG3 H 1 2.207 0.030 . 1 . . . . 26 GLU HG3 . 10319 1 263 . 1 1 26 26 GLU C C 13 176.224 0.300 . 1 . . . . 26 GLU C . 10319 1 264 . 1 1 26 26 GLU CA C 13 57.422 0.300 . 1 . . . . 26 GLU CA . 10319 1 265 . 1 1 26 26 GLU CB C 13 30.913 0.300 . 1 . . . . 26 GLU CB . 10319 1 266 . 1 1 26 26 GLU CG C 13 38.070 0.300 . 1 . . . . 26 GLU CG . 10319 1 267 . 1 1 26 26 GLU N N 15 128.774 0.300 . 1 . . . . 26 GLU N . 10319 1 268 . 1 1 27 27 ARG H H 1 9.529 0.030 . 1 . . . . 27 ARG H . 10319 1 269 . 1 1 27 27 ARG HA H 1 5.116 0.030 . 1 . . . . 27 ARG HA . 10319 1 270 . 1 1 27 27 ARG HB2 H 1 1.717 0.030 . 2 . . . . 27 ARG HB2 . 10319 1 271 . 1 1 27 27 ARG HB3 H 1 1.547 0.030 . 2 . . . . 27 ARG HB3 . 10319 1 272 . 1 1 27 27 ARG HD2 H 1 3.797 0.030 . 2 . . . . 27 ARG HD2 . 10319 1 273 . 1 1 27 27 ARG HD3 H 1 2.697 0.030 . 2 . . . . 27 ARG HD3 . 10319 1 274 . 1 1 27 27 ARG HG2 H 1 1.635 0.030 . 2 . . . . 27 ARG HG2 . 10319 1 275 . 1 1 27 27 ARG HG3 H 1 1.417 0.030 . 2 . . . . 27 ARG HG3 . 10319 1 276 . 1 1 27 27 ARG C C 13 173.344 0.300 . 1 . . . . 27 ARG C . 10319 1 277 . 1 1 27 27 ARG CA C 13 53.060 0.300 . 1 . . . . 27 ARG CA . 10319 1 278 . 1 1 27 27 ARG CB C 13 34.859 0.300 . 1 . . . . 27 ARG CB . 10319 1 279 . 1 1 27 27 ARG CD C 13 43.696 0.300 . 1 . . . . 27 ARG CD . 10319 1 280 . 1 1 27 27 ARG CG C 13 26.843 0.300 . 1 . . . . 27 ARG CG . 10319 1 281 . 1 1 27 27 ARG N N 15 126.137 0.300 . 1 . . . . 27 ARG N . 10319 1 282 . 1 1 28 28 TRP H H 1 9.125 0.030 . 1 . . . . 28 TRP H . 10319 1 283 . 1 1 28 28 TRP HA H 1 4.547 0.030 . 1 . . . . 28 TRP HA . 10319 1 284 . 1 1 28 28 TRP HB2 H 1 2.597 0.030 . 2 . . . . 28 TRP HB2 . 10319 1 285 . 1 1 28 28 TRP HB3 H 1 2.758 0.030 . 2 . . . . 28 TRP HB3 . 10319 1 286 . 1 1 28 28 TRP HD1 H 1 6.397 0.030 . 1 . . . . 28 TRP HD1 . 10319 1 287 . 1 1 28 28 TRP HE1 H 1 9.776 0.030 . 1 . . . . 28 TRP HE1 . 10319 1 288 . 1 1 28 28 TRP HE3 H 1 5.208 0.030 . 1 . . . . 28 TRP HE3 . 10319 1 289 . 1 1 28 28 TRP HH2 H 1 7.118 0.030 . 1 . . . . 28 TRP HH2 . 10319 1 290 . 1 1 28 28 TRP HZ2 H 1 7.153 0.030 . 1 . . . . 28 TRP HZ2 . 10319 1 291 . 1 1 28 28 TRP HZ3 H 1 6.879 0.030 . 1 . . . . 28 TRP HZ3 . 10319 1 292 . 1 1 28 28 TRP C C 13 175.137 0.300 . 1 . . . . 28 TRP C . 10319 1 293 . 1 1 28 28 TRP CA C 13 56.402 0.300 . 1 . . . . 28 TRP CA . 10319 1 294 . 1 1 28 28 TRP CB C 13 30.091 0.300 . 1 . . . . 28 TRP CB . 10319 1 295 . 1 1 28 28 TRP CD1 C 13 126.375 0.300 . 1 . . . . 28 TRP CD1 . 10319 1 296 . 1 1 28 28 TRP CE3 C 13 120.523 0.300 . 1 . . . . 28 TRP CE3 . 10319 1 297 . 1 1 28 28 TRP CH2 C 13 124.377 0.300 . 1 . . . . 28 TRP CH2 . 10319 1 298 . 1 1 28 28 TRP CZ2 C 13 114.200 0.300 . 1 . . . . 28 TRP CZ2 . 10319 1 299 . 1 1 28 28 TRP CZ3 C 13 122.851 0.300 . 1 . . . . 28 TRP CZ3 . 10319 1 300 . 1 1 28 28 TRP N N 15 123.015 0.300 . 1 . . . . 28 TRP N . 10319 1 301 . 1 1 28 28 TRP NE1 N 15 127.999 0.300 . 1 . . . . 28 TRP NE1 . 10319 1 302 . 1 1 29 29 PHE H H 1 8.876 0.030 . 1 . . . . 29 PHE H . 10319 1 303 . 1 1 29 29 PHE HA H 1 4.958 0.030 . 1 . . . . 29 PHE HA . 10319 1 304 . 1 1 29 29 PHE HB2 H 1 2.808 0.030 . 2 . . . . 29 PHE HB2 . 10319 1 305 . 1 1 29 29 PHE HB3 H 1 2.344 0.030 . 2 . . . . 29 PHE HB3 . 10319 1 306 . 1 1 29 29 PHE HD1 H 1 7.020 0.030 . 1 . . . . 29 PHE HD1 . 10319 1 307 . 1 1 29 29 PHE HD2 H 1 7.020 0.030 . 1 . . . . 29 PHE HD2 . 10319 1 308 . 1 1 29 29 PHE HE1 H 1 6.648 0.030 . 1 . . . . 29 PHE HE1 . 10319 1 309 . 1 1 29 29 PHE HE2 H 1 6.648 0.030 . 1 . . . . 29 PHE HE2 . 10319 1 310 . 1 1 29 29 PHE HZ H 1 6.337 0.030 . 1 . . . . 29 PHE HZ . 10319 1 311 . 1 1 29 29 PHE C C 13 175.048 0.300 . 1 . . . . 29 PHE C . 10319 1 312 . 1 1 29 29 PHE CA C 13 57.756 0.300 . 1 . . . . 29 PHE CA . 10319 1 313 . 1 1 29 29 PHE CB C 13 42.874 0.300 . 1 . . . . 29 PHE CB . 10319 1 314 . 1 1 29 29 PHE CD1 C 13 131.948 0.300 . 1 . . . . 29 PHE CD1 . 10319 1 315 . 1 1 29 29 PHE CD2 C 13 131.948 0.300 . 1 . . . . 29 PHE CD2 . 10319 1 316 . 1 1 29 29 PHE CE1 C 13 130.423 0.300 . 1 . . . . 29 PHE CE1 . 10319 1 317 . 1 1 29 29 PHE CE2 C 13 130.423 0.300 . 1 . . . . 29 PHE CE2 . 10319 1 318 . 1 1 29 29 PHE CZ C 13 127.484 0.300 . 1 . . . . 29 PHE CZ . 10319 1 319 . 1 1 29 29 PHE N N 15 128.273 0.300 . 1 . . . . 29 PHE N . 10319 1 320 . 1 1 30 30 VAL H H 1 9.229 0.030 . 1 . . . . 30 VAL H . 10319 1 321 . 1 1 30 30 VAL HA H 1 4.612 0.030 . 1 . . . . 30 VAL HA . 10319 1 322 . 1 1 30 30 VAL HB H 1 2.301 0.030 . 1 . . . . 30 VAL HB . 10319 1 323 . 1 1 30 30 VAL HG11 H 1 1.131 0.030 . 1 . . . . 30 VAL HG1 . 10319 1 324 . 1 1 30 30 VAL HG12 H 1 1.131 0.030 . 1 . . . . 30 VAL HG1 . 10319 1 325 . 1 1 30 30 VAL HG13 H 1 1.131 0.030 . 1 . . . . 30 VAL HG1 . 10319 1 326 . 1 1 30 30 VAL HG21 H 1 1.173 0.030 . 1 . . . . 30 VAL HG2 . 10319 1 327 . 1 1 30 30 VAL HG22 H 1 1.173 0.030 . 1 . . . . 30 VAL HG2 . 10319 1 328 . 1 1 30 30 VAL HG23 H 1 1.173 0.030 . 1 . . . . 30 VAL HG2 . 10319 1 329 . 1 1 30 30 VAL C C 13 174.651 0.300 . 1 . . . . 30 VAL C . 10319 1 330 . 1 1 30 30 VAL CA C 13 62.082 0.300 . 1 . . . . 30 VAL CA . 10319 1 331 . 1 1 30 30 VAL CB C 13 35.603 0.300 . 1 . . . . 30 VAL CB . 10319 1 332 . 1 1 30 30 VAL CG1 C 13 22.862 0.300 . 2 . . . . 30 VAL CG1 . 10319 1 333 . 1 1 30 30 VAL CG2 C 13 22.323 0.300 . 2 . . . . 30 VAL CG2 . 10319 1 334 . 1 1 30 30 VAL N N 15 118.237 0.300 . 1 . . . . 30 VAL N . 10319 1 335 . 1 1 31 31 LEU H H 1 9.324 0.030 . 1 . . . . 31 LEU H . 10319 1 336 . 1 1 31 31 LEU HA H 1 5.105 0.030 . 1 . . . . 31 LEU HA . 10319 1 337 . 1 1 31 31 LEU HB2 H 1 2.045 0.030 . 2 . . . . 31 LEU HB2 . 10319 1 338 . 1 1 31 31 LEU HB3 H 1 1.467 0.030 . 2 . . . . 31 LEU HB3 . 10319 1 339 . 1 1 31 31 LEU HD11 H 1 0.622 0.030 . 1 . . . . 31 LEU HD1 . 10319 1 340 . 1 1 31 31 LEU HD12 H 1 0.622 0.030 . 1 . . . . 31 LEU HD1 . 10319 1 341 . 1 1 31 31 LEU HD13 H 1 0.622 0.030 . 1 . . . . 31 LEU HD1 . 10319 1 342 . 1 1 31 31 LEU HD21 H 1 1.126 0.030 . 1 . . . . 31 LEU HD2 . 10319 1 343 . 1 1 31 31 LEU HD22 H 1 1.126 0.030 . 1 . . . . 31 LEU HD2 . 10319 1 344 . 1 1 31 31 LEU HD23 H 1 1.126 0.030 . 1 . . . . 31 LEU HD2 . 10319 1 345 . 1 1 31 31 LEU HG H 1 1.527 0.030 . 1 . . . . 31 LEU HG . 10319 1 346 . 1 1 31 31 LEU C C 13 173.752 0.300 . 1 . . . . 31 LEU C . 10319 1 347 . 1 1 31 31 LEU CA C 13 54.854 0.300 . 1 . . . . 31 LEU CA . 10319 1 348 . 1 1 31 31 LEU CB C 13 44.929 0.300 . 1 . . . . 31 LEU CB . 10319 1 349 . 1 1 31 31 LEU CD1 C 13 27.114 0.300 . 2 . . . . 31 LEU CD1 . 10319 1 350 . 1 1 31 31 LEU CD2 C 13 24.624 0.300 . 2 . . . . 31 LEU CD2 . 10319 1 351 . 1 1 31 31 LEU CG C 13 27.562 0.300 . 1 . . . . 31 LEU CG . 10319 1 352 . 1 1 31 31 LEU N N 15 129.304 0.300 . 1 . . . . 31 LEU N . 10319 1 353 . 1 1 32 32 LYS H H 1 9.138 0.030 . 1 . . . . 32 LYS H . 10319 1 354 . 1 1 32 32 LYS HA H 1 4.885 0.030 . 1 . . . . 32 LYS HA . 10319 1 355 . 1 1 32 32 LYS HB2 H 1 1.857 0.030 . 2 . . . . 32 LYS HB2 . 10319 1 356 . 1 1 32 32 LYS HB3 H 1 2.248 0.030 . 2 . . . . 32 LYS HB3 . 10319 1 357 . 1 1 32 32 LYS HD2 H 1 1.704 0.030 . 1 . . . . 32 LYS HD2 . 10319 1 358 . 1 1 32 32 LYS HD3 H 1 1.704 0.030 . 1 . . . . 32 LYS HD3 . 10319 1 359 . 1 1 32 32 LYS HE2 H 1 2.895 0.030 . 1 . . . . 32 LYS HE2 . 10319 1 360 . 1 1 32 32 LYS HE3 H 1 2.895 0.030 . 1 . . . . 32 LYS HE3 . 10319 1 361 . 1 1 32 32 LYS HG2 H 1 1.535 0.030 . 1 . . . . 32 LYS HG2 . 10319 1 362 . 1 1 32 32 LYS HG3 H 1 1.535 0.030 . 1 . . . . 32 LYS HG3 . 10319 1 363 . 1 1 32 32 LYS C C 13 173.697 0.300 . 1 . . . . 32 LYS C . 10319 1 364 . 1 1 32 32 LYS CA C 13 55.206 0.300 . 1 . . . . 32 LYS CA . 10319 1 365 . 1 1 32 32 LYS CB C 13 33.173 0.300 . 1 . . . . 32 LYS CB . 10319 1 366 . 1 1 32 32 LYS CD C 13 29.243 0.300 . 1 . . . . 32 LYS CD . 10319 1 367 . 1 1 32 32 LYS CE C 13 42.361 0.300 . 1 . . . . 32 LYS CE . 10319 1 368 . 1 1 32 32 LYS CG C 13 26.422 0.300 . 1 . . . . 32 LYS CG . 10319 1 369 . 1 1 32 32 LYS N N 15 130.443 0.300 . 1 . . . . 32 LYS N . 10319 1 370 . 1 1 33 33 PRO HA H 1 4.187 0.030 . 1 . . . . 33 PRO HA . 10319 1 371 . 1 1 33 33 PRO HB2 H 1 2.307 0.030 . 2 . . . . 33 PRO HB2 . 10319 1 372 . 1 1 33 33 PRO HB3 H 1 1.787 0.030 . 2 . . . . 33 PRO HB3 . 10319 1 373 . 1 1 33 33 PRO HD2 H 1 3.697 0.030 . 2 . . . . 33 PRO HD2 . 10319 1 374 . 1 1 33 33 PRO HD3 H 1 3.955 0.030 . 2 . . . . 33 PRO HD3 . 10319 1 375 . 1 1 33 33 PRO HG2 H 1 1.918 0.030 . 2 . . . . 33 PRO HG2 . 10319 1 376 . 1 1 33 33 PRO HG3 H 1 2.148 0.030 . 2 . . . . 33 PRO HG3 . 10319 1 377 . 1 1 33 33 PRO C C 13 175.742 0.300 . 1 . . . . 33 PRO C . 10319 1 378 . 1 1 33 33 PRO CA C 13 65.828 0.300 . 1 . . . . 33 PRO CA . 10319 1 379 . 1 1 33 33 PRO CB C 13 31.858 0.300 . 1 . . . . 33 PRO CB . 10319 1 380 . 1 1 33 33 PRO CD C 13 50.452 0.300 . 1 . . . . 33 PRO CD . 10319 1 381 . 1 1 33 33 PRO CG C 13 28.425 0.300 . 1 . . . . 33 PRO CG . 10319 1 382 . 1 1 34 34 ASN H H 1 7.568 0.030 . 1 . . . . 34 ASN H . 10319 1 383 . 1 1 34 34 ASN HA H 1 4.814 0.030 . 1 . . . . 34 ASN HA . 10319 1 384 . 1 1 34 34 ASN HB2 H 1 3.087 0.030 . 2 . . . . 34 ASN HB2 . 10319 1 385 . 1 1 34 34 ASN HB3 H 1 2.777 0.030 . 2 . . . . 34 ASN HB3 . 10319 1 386 . 1 1 34 34 ASN HD21 H 1 7.664 0.030 . 2 . . . . 34 ASN HD21 . 10319 1 387 . 1 1 34 34 ASN HD22 H 1 6.780 0.030 . 2 . . . . 34 ASN HD22 . 10319 1 388 . 1 1 34 34 ASN C C 13 174.469 0.300 . 1 . . . . 34 ASN C . 10319 1 389 . 1 1 34 34 ASN CA C 13 52.163 0.300 . 1 . . . . 34 ASN CA . 10319 1 390 . 1 1 34 34 ASN CB C 13 39.421 0.300 . 1 . . . . 34 ASN CB . 10319 1 391 . 1 1 34 34 ASN N N 15 106.731 0.300 . 1 . . . . 34 ASN N . 10319 1 392 . 1 1 34 34 ASN ND2 N 15 112.085 0.300 . 1 . . . . 34 ASN ND2 . 10319 1 393 . 1 1 35 35 ILE H H 1 7.583 0.030 . 1 . . . . 35 ILE H . 10319 1 394 . 1 1 35 35 ILE HA H 1 5.037 0.030 . 1 . . . . 35 ILE HA . 10319 1 395 . 1 1 35 35 ILE HB H 1 1.835 0.030 . 1 . . . . 35 ILE HB . 10319 1 396 . 1 1 35 35 ILE HD11 H 1 0.717 0.030 . 1 . . . . 35 ILE HD1 . 10319 1 397 . 1 1 35 35 ILE HD12 H 1 0.717 0.030 . 1 . . . . 35 ILE HD1 . 10319 1 398 . 1 1 35 35 ILE HD13 H 1 0.717 0.030 . 1 . . . . 35 ILE HD1 . 10319 1 399 . 1 1 35 35 ILE HG12 H 1 0.999 0.030 . 2 . . . . 35 ILE HG12 . 10319 1 400 . 1 1 35 35 ILE HG13 H 1 1.485 0.030 . 2 . . . . 35 ILE HG13 . 10319 1 401 . 1 1 35 35 ILE HG21 H 1 0.876 0.030 . 1 . . . . 35 ILE HG2 . 10319 1 402 . 1 1 35 35 ILE HG22 H 1 0.876 0.030 . 1 . . . . 35 ILE HG2 . 10319 1 403 . 1 1 35 35 ILE HG23 H 1 0.876 0.030 . 1 . . . . 35 ILE HG2 . 10319 1 404 . 1 1 35 35 ILE C C 13 172.083 0.300 . 1 . . . . 35 ILE C . 10319 1 405 . 1 1 35 35 ILE CA C 13 61.133 0.300 . 1 . . . . 35 ILE CA . 10319 1 406 . 1 1 35 35 ILE CB C 13 42.668 0.300 . 1 . . . . 35 ILE CB . 10319 1 407 . 1 1 35 35 ILE CD1 C 13 14.781 0.300 . 1 . . . . 35 ILE CD1 . 10319 1 408 . 1 1 35 35 ILE CG1 C 13 28.487 0.300 . 1 . . . . 35 ILE CG1 . 10319 1 409 . 1 1 35 35 ILE CG2 C 13 16.403 0.300 . 1 . . . . 35 ILE CG2 . 10319 1 410 . 1 1 35 35 ILE N N 15 119.038 0.300 . 1 . . . . 35 ILE N . 10319 1 411 . 1 1 36 36 ILE H H 1 8.626 0.030 . 1 . . . . 36 ILE H . 10319 1 412 . 1 1 36 36 ILE HA H 1 5.406 0.030 . 1 . . . . 36 ILE HA . 10319 1 413 . 1 1 36 36 ILE HB H 1 1.936 0.030 . 1 . . . . 36 ILE HB . 10319 1 414 . 1 1 36 36 ILE HD11 H 1 0.949 0.030 . 1 . . . . 36 ILE HD1 . 10319 1 415 . 1 1 36 36 ILE HD12 H 1 0.949 0.030 . 1 . . . . 36 ILE HD1 . 10319 1 416 . 1 1 36 36 ILE HD13 H 1 0.949 0.030 . 1 . . . . 36 ILE HD1 . 10319 1 417 . 1 1 36 36 ILE HG12 H 1 1.239 0.030 . 2 . . . . 36 ILE HG12 . 10319 1 418 . 1 1 36 36 ILE HG13 H 1 1.906 0.030 . 2 . . . . 36 ILE HG13 . 10319 1 419 . 1 1 36 36 ILE HG21 H 1 1.087 0.030 . 1 . . . . 36 ILE HG2 . 10319 1 420 . 1 1 36 36 ILE HG22 H 1 1.087 0.030 . 1 . . . . 36 ILE HG2 . 10319 1 421 . 1 1 36 36 ILE HG23 H 1 1.087 0.030 . 1 . . . . 36 ILE HG2 . 10319 1 422 . 1 1 36 36 ILE C C 13 175.931 0.300 . 1 . . . . 36 ILE C . 10319 1 423 . 1 1 36 36 ILE CA C 13 59.816 0.300 . 1 . . . . 36 ILE CA . 10319 1 424 . 1 1 36 36 ILE CB C 13 40.243 0.300 . 1 . . . . 36 ILE CB . 10319 1 425 . 1 1 36 36 ILE CD1 C 13 13.916 0.300 . 1 . . . . 36 ILE CD1 . 10319 1 426 . 1 1 36 36 ILE CG1 C 13 28.516 0.300 . 1 . . . . 36 ILE CG1 . 10319 1 427 . 1 1 36 36 ILE CG2 C 13 18.212 0.300 . 1 . . . . 36 ILE CG2 . 10319 1 428 . 1 1 36 36 ILE N N 15 122.922 0.300 . 1 . . . . 36 ILE N . 10319 1 429 . 1 1 37 37 SER H H 1 9.195 0.030 . 1 . . . . 37 SER H . 10319 1 430 . 1 1 37 37 SER HA H 1 5.452 0.030 . 1 . . . . 37 SER HA . 10319 1 431 . 1 1 37 37 SER HB2 H 1 3.641 0.030 . 1 . . . . 37 SER HB2 . 10319 1 432 . 1 1 37 37 SER HB3 H 1 3.641 0.030 . 1 . . . . 37 SER HB3 . 10319 1 433 . 1 1 37 37 SER C C 13 172.028 0.300 . 1 . . . . 37 SER C . 10319 1 434 . 1 1 37 37 SER CA C 13 57.615 0.300 . 1 . . . . 37 SER CA . 10319 1 435 . 1 1 37 37 SER CB C 13 66.652 0.300 . 1 . . . . 37 SER CB . 10319 1 436 . 1 1 37 37 SER N N 15 123.822 0.300 . 1 . . . . 37 SER N . 10319 1 437 . 1 1 38 38 TYR H H 1 8.153 0.030 . 1 . . . . 38 TYR H . 10319 1 438 . 1 1 38 38 TYR HA H 1 5.967 0.030 . 1 . . . . 38 TYR HA . 10319 1 439 . 1 1 38 38 TYR HB2 H 1 1.655 0.030 . 1 . . . . 38 TYR HB2 . 10319 1 440 . 1 1 38 38 TYR HB3 H 1 1.655 0.030 . 1 . . . . 38 TYR HB3 . 10319 1 441 . 1 1 38 38 TYR HD1 H 1 6.199 0.030 . 1 . . . . 38 TYR HD1 . 10319 1 442 . 1 1 38 38 TYR HD2 H 1 6.199 0.030 . 1 . . . . 38 TYR HD2 . 10319 1 443 . 1 1 38 38 TYR HE1 H 1 6.417 0.030 . 1 . . . . 38 TYR HE1 . 10319 1 444 . 1 1 38 38 TYR HE2 H 1 6.417 0.030 . 1 . . . . 38 TYR HE2 . 10319 1 445 . 1 1 38 38 TYR C C 13 174.193 0.300 . 1 . . . . 38 TYR C . 10319 1 446 . 1 1 38 38 TYR CA C 13 54.449 0.300 . 1 . . . . 38 TYR CA . 10319 1 447 . 1 1 38 38 TYR CB C 13 39.709 0.300 . 1 . . . . 38 TYR CB . 10319 1 448 . 1 1 38 38 TYR CD1 C 13 133.087 0.300 . 1 . . . . 38 TYR CD1 . 10319 1 449 . 1 1 38 38 TYR CD2 C 13 133.087 0.300 . 1 . . . . 38 TYR CD2 . 10319 1 450 . 1 1 38 38 TYR CE1 C 13 117.527 0.300 . 1 . . . . 38 TYR CE1 . 10319 1 451 . 1 1 38 38 TYR CE2 C 13 117.527 0.300 . 1 . . . . 38 TYR CE2 . 10319 1 452 . 1 1 38 38 TYR N N 15 117.724 0.300 . 1 . . . . 38 TYR N . 10319 1 453 . 1 1 39 39 TYR H H 1 9.420 0.030 . 1 . . . . 39 TYR H . 10319 1 454 . 1 1 39 39 TYR HA H 1 5.237 0.030 . 1 . . . . 39 TYR HA . 10319 1 455 . 1 1 39 39 TYR HB2 H 1 3.266 0.030 . 2 . . . . 39 TYR HB2 . 10319 1 456 . 1 1 39 39 TYR HB3 H 1 2.966 0.030 . 2 . . . . 39 TYR HB3 . 10319 1 457 . 1 1 39 39 TYR HE1 H 1 6.738 0.030 . 1 . . . . 39 TYR HE1 . 10319 1 458 . 1 1 39 39 TYR HE2 H 1 6.738 0.030 . 1 . . . . 39 TYR HE2 . 10319 1 459 . 1 1 39 39 TYR C C 13 175.920 0.300 . 1 . . . . 39 TYR C . 10319 1 460 . 1 1 39 39 TYR CA C 13 56.103 0.300 . 1 . . . . 39 TYR CA . 10319 1 461 . 1 1 39 39 TYR CB C 13 43.531 0.300 . 1 . . . . 39 TYR CB . 10319 1 462 . 1 1 39 39 TYR CE1 C 13 118.524 0.300 . 1 . . . . 39 TYR CE1 . 10319 1 463 . 1 1 39 39 TYR CE2 C 13 118.524 0.300 . 1 . . . . 39 TYR CE2 . 10319 1 464 . 1 1 39 39 TYR N N 15 120.316 0.300 . 1 . . . . 39 TYR N . 10319 1 465 . 1 1 40 40 VAL H H 1 8.714 0.030 . 1 . . . . 40 VAL H . 10319 1 466 . 1 1 40 40 VAL HA H 1 3.987 0.030 . 1 . . . . 40 VAL HA . 10319 1 467 . 1 1 40 40 VAL HB H 1 2.322 0.030 . 1 . . . . 40 VAL HB . 10319 1 468 . 1 1 40 40 VAL HG11 H 1 1.127 0.030 . 1 . . . . 40 VAL HG1 . 10319 1 469 . 1 1 40 40 VAL HG12 H 1 1.127 0.030 . 1 . . . . 40 VAL HG1 . 10319 1 470 . 1 1 40 40 VAL HG13 H 1 1.127 0.030 . 1 . . . . 40 VAL HG1 . 10319 1 471 . 1 1 40 40 VAL HG21 H 1 1.159 0.030 . 1 . . . . 40 VAL HG2 . 10319 1 472 . 1 1 40 40 VAL HG22 H 1 1.159 0.030 . 1 . . . . 40 VAL HG2 . 10319 1 473 . 1 1 40 40 VAL HG23 H 1 1.159 0.030 . 1 . . . . 40 VAL HG2 . 10319 1 474 . 1 1 40 40 VAL C C 13 175.974 0.300 . 1 . . . . 40 VAL C . 10319 1 475 . 1 1 40 40 VAL CA C 13 67.411 0.300 . 1 . . . . 40 VAL CA . 10319 1 476 . 1 1 40 40 VAL CB C 13 32.064 0.300 . 1 . . . . 40 VAL CB . 10319 1 477 . 1 1 40 40 VAL CG1 C 13 21.281 0.300 . 2 . . . . 40 VAL CG1 . 10319 1 478 . 1 1 40 40 VAL CG2 C 13 24.377 0.300 . 2 . . . . 40 VAL CG2 . 10319 1 479 . 1 1 40 40 VAL N N 15 121.977 0.300 . 1 . . . . 40 VAL N . 10319 1 480 . 1 1 41 41 SER H H 1 8.277 0.030 . 1 . . . . 41 SER H . 10319 1 481 . 1 1 41 41 SER HA H 1 5.206 0.030 . 1 . . . . 41 SER HA . 10319 1 482 . 1 1 41 41 SER HB2 H 1 3.948 0.030 . 2 . . . . 41 SER HB2 . 10319 1 483 . 1 1 41 41 SER HB3 H 1 3.804 0.030 . 2 . . . . 41 SER HB3 . 10319 1 484 . 1 1 41 41 SER C C 13 173.135 0.300 . 1 . . . . 41 SER C . 10319 1 485 . 1 1 41 41 SER CA C 13 56.279 0.300 . 1 . . . . 41 SER CA . 10319 1 486 . 1 1 41 41 SER CB C 13 65.830 0.300 . 1 . . . . 41 SER CB . 10319 1 487 . 1 1 41 41 SER N N 15 110.363 0.300 . 1 . . . . 41 SER N . 10319 1 488 . 1 1 42 42 GLU H H 1 7.269 0.030 . 1 . . . . 42 GLU H . 10319 1 489 . 1 1 42 42 GLU HA H 1 1.627 0.030 . 1 . . . . 42 GLU HA . 10319 1 490 . 1 1 42 42 GLU HB2 H 1 0.578 0.030 . 2 . . . . 42 GLU HB2 . 10319 1 491 . 1 1 42 42 GLU HB3 H 1 0.094 0.030 . 2 . . . . 42 GLU HB3 . 10319 1 492 . 1 1 42 42 GLU HG2 H 1 1.276 0.030 . 2 . . . . 42 GLU HG2 . 10319 1 493 . 1 1 42 42 GLU HG3 H 1 1.506 0.030 . 2 . . . . 42 GLU HG3 . 10319 1 494 . 1 1 42 42 GLU C C 13 173.821 0.300 . 1 . . . . 42 GLU C . 10319 1 495 . 1 1 42 42 GLU CA C 13 56.472 0.300 . 1 . . . . 42 GLU CA . 10319 1 496 . 1 1 42 42 GLU CB C 13 27.800 0.300 . 1 . . . . 42 GLU CB . 10319 1 497 . 1 1 42 42 GLU CG C 13 34.544 0.300 . 1 . . . . 42 GLU CG . 10319 1 498 . 1 1 42 42 GLU N N 15 120.106 0.300 . 1 . . . . 42 GLU N . 10319 1 499 . 1 1 43 43 ASP H H 1 7.225 0.030 . 1 . . . . 43 ASP H . 10319 1 500 . 1 1 43 43 ASP HA H 1 4.027 0.030 . 1 . . . . 43 ASP HA . 10319 1 501 . 1 1 43 43 ASP HB2 H 1 2.756 0.030 . 2 . . . . 43 ASP HB2 . 10319 1 502 . 1 1 43 43 ASP HB3 H 1 2.427 0.030 . 2 . . . . 43 ASP HB3 . 10319 1 503 . 1 1 43 43 ASP C C 13 176.926 0.300 . 1 . . . . 43 ASP C . 10319 1 504 . 1 1 43 43 ASP CA C 13 54.432 0.300 . 1 . . . . 43 ASP CA . 10319 1 505 . 1 1 43 43 ASP CB C 13 39.586 0.300 . 1 . . . . 43 ASP CB . 10319 1 506 . 1 1 43 43 ASP N N 15 118.330 0.300 . 1 . . . . 43 ASP N . 10319 1 507 . 1 1 44 44 LEU H H 1 7.680 0.030 . 1 . . . . 44 LEU H . 10319 1 508 . 1 1 44 44 LEU HA H 1 3.094 0.030 . 1 . . . . 44 LEU HA . 10319 1 509 . 1 1 44 44 LEU HB2 H 1 1.815 0.030 . 2 . . . . 44 LEU HB2 . 10319 1 510 . 1 1 44 44 LEU HB3 H 1 1.006 0.030 . 2 . . . . 44 LEU HB3 . 10319 1 511 . 1 1 44 44 LEU HD11 H 1 0.661 0.030 . 1 . . . . 44 LEU HD1 . 10319 1 512 . 1 1 44 44 LEU HD12 H 1 0.661 0.030 . 1 . . . . 44 LEU HD1 . 10319 1 513 . 1 1 44 44 LEU HD13 H 1 0.661 0.030 . 1 . . . . 44 LEU HD1 . 10319 1 514 . 1 1 44 44 LEU HD21 H 1 -0.022 0.030 . 1 . . . . 44 LEU HD2 . 10319 1 515 . 1 1 44 44 LEU HD22 H 1 -0.022 0.030 . 1 . . . . 44 LEU HD2 . 10319 1 516 . 1 1 44 44 LEU HD23 H 1 -0.022 0.030 . 1 . . . . 44 LEU HD2 . 10319 1 517 . 1 1 44 44 LEU HG H 1 1.018 0.030 . 1 . . . . 44 LEU HG . 10319 1 518 . 1 1 44 44 LEU C C 13 176.347 0.300 . 1 . . . . 44 LEU C . 10319 1 519 . 1 1 44 44 LEU CA C 13 55.992 0.300 . 1 . . . . 44 LEU CA . 10319 1 520 . 1 1 44 44 LEU CB C 13 38.229 0.300 . 1 . . . . 44 LEU CB . 10319 1 521 . 1 1 44 44 LEU CD1 C 13 25.583 0.300 . 2 . . . . 44 LEU CD1 . 10319 1 522 . 1 1 44 44 LEU CD2 C 13 22.332 0.300 . 2 . . . . 44 LEU CD2 . 10319 1 523 . 1 1 44 44 LEU CG C 13 25.576 0.300 . 1 . . . . 44 LEU CG . 10319 1 524 . 1 1 44 44 LEU N N 15 112.529 0.300 . 1 . . . . 44 LEU N . 10319 1 525 . 1 1 45 45 LYS H H 1 8.248 0.030 . 1 . . . . 45 LYS H . 10319 1 526 . 1 1 45 45 LYS HA H 1 4.027 0.030 . 1 . . . . 45 LYS HA . 10319 1 527 . 1 1 45 45 LYS HB2 H 1 1.706 0.030 . 2 . . . . 45 LYS HB2 . 10319 1 528 . 1 1 45 45 LYS HB3 H 1 1.678 0.030 . 2 . . . . 45 LYS HB3 . 10319 1 529 . 1 1 45 45 LYS HD2 H 1 1.590 0.030 . 1 . . . . 45 LYS HD2 . 10319 1 530 . 1 1 45 45 LYS HD3 H 1 1.590 0.030 . 1 . . . . 45 LYS HD3 . 10319 1 531 . 1 1 45 45 LYS HE2 H 1 2.924 0.030 . 1 . . . . 45 LYS HE2 . 10319 1 532 . 1 1 45 45 LYS HE3 H 1 2.924 0.030 . 1 . . . . 45 LYS HE3 . 10319 1 533 . 1 1 45 45 LYS HG2 H 1 1.251 0.030 . 1 . . . . 45 LYS HG2 . 10319 1 534 . 1 1 45 45 LYS HG3 H 1 1.251 0.030 . 1 . . . . 45 LYS HG3 . 10319 1 535 . 1 1 45 45 LYS C C 13 177.442 0.300 . 1 . . . . 45 LYS C . 10319 1 536 . 1 1 45 45 LYS CA C 13 59.022 0.300 . 1 . . . . 45 LYS CA . 10319 1 537 . 1 1 45 45 LYS CB C 13 33.050 0.300 . 1 . . . . 45 LYS CB . 10319 1 538 . 1 1 45 45 LYS CD C 13 28.943 0.300 . 1 . . . . 45 LYS CD . 10319 1 539 . 1 1 45 45 LYS CE C 13 42.153 0.300 . 1 . . . . 45 LYS CE . 10319 1 540 . 1 1 45 45 LYS CG C 13 25.652 0.300 . 1 . . . . 45 LYS CG . 10319 1 541 . 1 1 45 45 LYS N N 15 119.292 0.300 . 1 . . . . 45 LYS N . 10319 1 542 . 1 1 46 46 ASP H H 1 8.793 0.030 . 1 . . . . 46 ASP H . 10319 1 543 . 1 1 46 46 ASP HA H 1 5.004 0.030 . 1 . . . . 46 ASP HA . 10319 1 544 . 1 1 46 46 ASP HB2 H 1 2.787 0.030 . 2 . . . . 46 ASP HB2 . 10319 1 545 . 1 1 46 46 ASP HB3 H 1 2.395 0.030 . 2 . . . . 46 ASP HB3 . 10319 1 546 . 1 1 46 46 ASP C C 13 174.311 0.300 . 1 . . . . 46 ASP C . 10319 1 547 . 1 1 46 46 ASP CA C 13 52.515 0.300 . 1 . . . . 46 ASP CA . 10319 1 548 . 1 1 46 46 ASP CB C 13 41.682 0.300 . 1 . . . . 46 ASP CB . 10319 1 549 . 1 1 46 46 ASP N N 15 119.934 0.300 . 1 . . . . 46 ASP N . 10319 1 550 . 1 1 47 47 LYS H H 1 8.669 0.030 . 1 . . . . 47 LYS H . 10319 1 551 . 1 1 47 47 LYS HA H 1 3.697 0.030 . 1 . . . . 47 LYS HA . 10319 1 552 . 1 1 47 47 LYS HB2 H 1 1.514 0.030 . 2 . . . . 47 LYS HB2 . 10319 1 553 . 1 1 47 47 LYS HB3 H 1 1.665 0.030 . 2 . . . . 47 LYS HB3 . 10319 1 554 . 1 1 47 47 LYS HD2 H 1 1.322 0.030 . 2 . . . . 47 LYS HD2 . 10319 1 555 . 1 1 47 47 LYS HD3 H 1 1.568 0.030 . 2 . . . . 47 LYS HD3 . 10319 1 556 . 1 1 47 47 LYS HE2 H 1 2.649 0.030 . 1 . . . . 47 LYS HE2 . 10319 1 557 . 1 1 47 47 LYS HE3 H 1 2.649 0.030 . 1 . . . . 47 LYS HE3 . 10319 1 558 . 1 1 47 47 LYS HG2 H 1 0.405 0.030 . 2 . . . . 47 LYS HG2 . 10319 1 559 . 1 1 47 47 LYS HG3 H 1 0.767 0.030 . 2 . . . . 47 LYS HG3 . 10319 1 560 . 1 1 47 47 LYS C C 13 176.459 0.300 . 1 . . . . 47 LYS C . 10319 1 561 . 1 1 47 47 LYS CA C 13 57.404 0.300 . 1 . . . . 47 LYS CA . 10319 1 562 . 1 1 47 47 LYS CB C 13 31.858 0.300 . 1 . . . . 47 LYS CB . 10319 1 563 . 1 1 47 47 LYS CD C 13 28.430 0.300 . 1 . . . . 47 LYS CD . 10319 1 564 . 1 1 47 47 LYS CE C 13 41.558 0.300 . 1 . . . . 47 LYS CE . 10319 1 565 . 1 1 47 47 LYS CG C 13 24.967 0.300 . 1 . . . . 47 LYS CG . 10319 1 566 . 1 1 47 47 LYS N N 15 125.913 0.300 . 1 . . . . 47 LYS N . 10319 1 567 . 1 1 48 48 LYS H H 1 8.908 0.030 . 1 . . . . 48 LYS H . 10319 1 568 . 1 1 48 48 LYS HA H 1 4.437 0.030 . 1 . . . . 48 LYS HA . 10319 1 569 . 1 1 48 48 LYS HB2 H 1 1.877 0.030 . 2 . . . . 48 LYS HB2 . 10319 1 570 . 1 1 48 48 LYS HB3 H 1 1.297 0.030 . 2 . . . . 48 LYS HB3 . 10319 1 571 . 1 1 48 48 LYS HD2 H 1 1.646 0.030 . 2 . . . . 48 LYS HD2 . 10319 1 572 . 1 1 48 48 LYS HD3 H 1 1.579 0.030 . 2 . . . . 48 LYS HD3 . 10319 1 573 . 1 1 48 48 LYS HE2 H 1 2.719 0.030 . 2 . . . . 48 LYS HE2 . 10319 1 574 . 1 1 48 48 LYS HE3 H 1 2.861 0.030 . 2 . . . . 48 LYS HE3 . 10319 1 575 . 1 1 48 48 LYS HG2 H 1 1.342 0.030 . 2 . . . . 48 LYS HG2 . 10319 1 576 . 1 1 48 48 LYS HG3 H 1 1.197 0.030 . 2 . . . . 48 LYS HG3 . 10319 1 577 . 1 1 48 48 LYS C C 13 175.845 0.300 . 1 . . . . 48 LYS C . 10319 1 578 . 1 1 48 48 LYS CA C 13 53.640 0.300 . 1 . . . . 48 LYS CA . 10319 1 579 . 1 1 48 48 LYS CB C 13 33.543 0.300 . 1 . . . . 48 LYS CB . 10319 1 580 . 1 1 48 48 LYS CD C 13 27.419 0.300 . 1 . . . . 48 LYS CD . 10319 1 581 . 1 1 48 48 LYS CE C 13 41.901 0.300 . 1 . . . . 48 LYS CE . 10319 1 582 . 1 1 48 48 LYS CG C 13 23.637 0.300 . 1 . . . . 48 LYS CG . 10319 1 583 . 1 1 48 48 LYS N N 15 126.825 0.300 . 1 . . . . 48 LYS N . 10319 1 584 . 1 1 49 49 GLY H H 1 6.568 0.030 . 1 . . . . 49 GLY H . 10319 1 585 . 1 1 49 49 GLY HA2 H 1 3.669 0.030 . 2 . . . . 49 GLY HA2 . 10319 1 586 . 1 1 49 49 GLY HA3 H 1 3.549 0.030 . 2 . . . . 49 GLY HA3 . 10319 1 587 . 1 1 49 49 GLY C C 13 168.964 0.300 . 1 . . . . 49 GLY C . 10319 1 588 . 1 1 49 49 GLY CA C 13 45.603 0.300 . 1 . . . . 49 GLY CA . 10319 1 589 . 1 1 49 49 GLY N N 15 106.631 0.300 . 1 . . . . 49 GLY N . 10319 1 590 . 1 1 50 50 ASP H H 1 7.886 0.030 . 1 . . . . 50 ASP H . 10319 1 591 . 1 1 50 50 ASP HA H 1 5.467 0.030 . 1 . . . . 50 ASP HA . 10319 1 592 . 1 1 50 50 ASP HB2 H 1 2.349 0.030 . 2 . . . . 50 ASP HB2 . 10319 1 593 . 1 1 50 50 ASP HB3 H 1 2.285 0.030 . 2 . . . . 50 ASP HB3 . 10319 1 594 . 1 1 50 50 ASP C C 13 175.204 0.300 . 1 . . . . 50 ASP C . 10319 1 595 . 1 1 50 50 ASP CA C 13 53.184 0.300 . 1 . . . . 50 ASP CA . 10319 1 596 . 1 1 50 50 ASP CB C 13 46.274 0.300 . 1 . . . . 50 ASP CB . 10319 1 597 . 1 1 50 50 ASP N N 15 114.230 0.300 . 1 . . . . 50 ASP N . 10319 1 598 . 1 1 51 51 ILE H H 1 9.559 0.030 . 1 . . . . 51 ILE H . 10319 1 599 . 1 1 51 51 ILE HA H 1 3.968 0.030 . 1 . . . . 51 ILE HA . 10319 1 600 . 1 1 51 51 ILE HB H 1 1.598 0.030 . 1 . . . . 51 ILE HB . 10319 1 601 . 1 1 51 51 ILE HD11 H 1 0.136 0.030 . 1 . . . . 51 ILE HD1 . 10319 1 602 . 1 1 51 51 ILE HD12 H 1 0.136 0.030 . 1 . . . . 51 ILE HD1 . 10319 1 603 . 1 1 51 51 ILE HD13 H 1 0.136 0.030 . 1 . . . . 51 ILE HD1 . 10319 1 604 . 1 1 51 51 ILE HG12 H 1 1.134 0.030 . 2 . . . . 51 ILE HG12 . 10319 1 605 . 1 1 51 51 ILE HG13 H 1 0.013 0.030 . 2 . . . . 51 ILE HG13 . 10319 1 606 . 1 1 51 51 ILE HG21 H 1 0.503 0.030 . 1 . . . . 51 ILE HG2 . 10319 1 607 . 1 1 51 51 ILE HG22 H 1 0.503 0.030 . 1 . . . . 51 ILE HG2 . 10319 1 608 . 1 1 51 51 ILE HG23 H 1 0.503 0.030 . 1 . . . . 51 ILE HG2 . 10319 1 609 . 1 1 51 51 ILE C C 13 174.299 0.300 . 1 . . . . 51 ILE C . 10319 1 610 . 1 1 51 51 ILE CA C 13 61.062 0.300 . 1 . . . . 51 ILE CA . 10319 1 611 . 1 1 51 51 ILE CB C 13 39.586 0.300 . 1 . . . . 51 ILE CB . 10319 1 612 . 1 1 51 51 ILE CD1 C 13 13.217 0.300 . 1 . . . . 51 ILE CD1 . 10319 1 613 . 1 1 51 51 ILE CG1 C 13 26.294 0.300 . 1 . . . . 51 ILE CG1 . 10319 1 614 . 1 1 51 51 ILE CG2 C 13 16.568 0.300 . 1 . . . . 51 ILE CG2 . 10319 1 615 . 1 1 51 51 ILE N N 15 122.187 0.300 . 1 . . . . 51 ILE N . 10319 1 616 . 1 1 52 52 LEU H H 1 8.477 0.030 . 1 . . . . 52 LEU H . 10319 1 617 . 1 1 52 52 LEU HA H 1 4.355 0.030 . 1 . . . . 52 LEU HA . 10319 1 618 . 1 1 52 52 LEU HB2 H 1 1.659 0.030 . 1 . . . . 52 LEU HB2 . 10319 1 619 . 1 1 52 52 LEU HB3 H 1 1.659 0.030 . 1 . . . . 52 LEU HB3 . 10319 1 620 . 1 1 52 52 LEU HD11 H 1 0.939 0.030 . 1 . . . . 52 LEU HD1 . 10319 1 621 . 1 1 52 52 LEU HD12 H 1 0.939 0.030 . 1 . . . . 52 LEU HD1 . 10319 1 622 . 1 1 52 52 LEU HD13 H 1 0.939 0.030 . 1 . . . . 52 LEU HD1 . 10319 1 623 . 1 1 52 52 LEU HD21 H 1 0.859 0.030 . 1 . . . . 52 LEU HD2 . 10319 1 624 . 1 1 52 52 LEU HD22 H 1 0.859 0.030 . 1 . . . . 52 LEU HD2 . 10319 1 625 . 1 1 52 52 LEU HD23 H 1 0.859 0.030 . 1 . . . . 52 LEU HD2 . 10319 1 626 . 1 1 52 52 LEU HG H 1 1.691 0.030 . 1 . . . . 52 LEU HG . 10319 1 627 . 1 1 52 52 LEU C C 13 176.115 0.300 . 1 . . . . 52 LEU C . 10319 1 628 . 1 1 52 52 LEU CA C 13 55.646 0.300 . 1 . . . . 52 LEU CA . 10319 1 629 . 1 1 52 52 LEU CB C 13 40.781 0.300 . 1 . . . . 52 LEU CB . 10319 1 630 . 1 1 52 52 LEU CD1 C 13 24.829 0.300 . 2 . . . . 52 LEU CD1 . 10319 1 631 . 1 1 52 52 LEU CD2 C 13 23.887 0.300 . 2 . . . . 52 LEU CD2 . 10319 1 632 . 1 1 52 52 LEU CG C 13 27.751 0.300 . 1 . . . . 52 LEU CG . 10319 1 633 . 1 1 52 52 LEU N N 15 129.012 0.300 . 1 . . . . 52 LEU N . 10319 1 634 . 1 1 53 53 LEU H H 1 7.671 0.030 . 1 . . . . 53 LEU H . 10319 1 635 . 1 1 53 53 LEU HA H 1 4.751 0.030 . 1 . . . . 53 LEU HA . 10319 1 636 . 1 1 53 53 LEU HB2 H 1 1.398 0.030 . 2 . . . . 53 LEU HB2 . 10319 1 637 . 1 1 53 53 LEU HB3 H 1 1.007 0.030 . 2 . . . . 53 LEU HB3 . 10319 1 638 . 1 1 53 53 LEU HD11 H 1 0.733 0.030 . 1 . . . . 53 LEU HD1 . 10319 1 639 . 1 1 53 53 LEU HD12 H 1 0.733 0.030 . 1 . . . . 53 LEU HD1 . 10319 1 640 . 1 1 53 53 LEU HD13 H 1 0.733 0.030 . 1 . . . . 53 LEU HD1 . 10319 1 641 . 1 1 53 53 LEU HD21 H 1 0.667 0.030 . 1 . . . . 53 LEU HD2 . 10319 1 642 . 1 1 53 53 LEU HD22 H 1 0.667 0.030 . 1 . . . . 53 LEU HD2 . 10319 1 643 . 1 1 53 53 LEU HD23 H 1 0.667 0.030 . 1 . . . . 53 LEU HD2 . 10319 1 644 . 1 1 53 53 LEU HG H 1 1.557 0.030 . 1 . . . . 53 LEU HG . 10319 1 645 . 1 1 53 53 LEU C C 13 175.044 0.300 . 1 . . . . 53 LEU C . 10319 1 646 . 1 1 53 53 LEU CA C 13 53.939 0.300 . 1 . . . . 53 LEU CA . 10319 1 647 . 1 1 53 53 LEU CB C 13 44.399 0.300 . 1 . . . . 53 LEU CB . 10319 1 648 . 1 1 53 53 LEU CD1 C 13 25.857 0.300 . 2 . . . . 53 LEU CD1 . 10319 1 649 . 1 1 53 53 LEU CD2 C 13 22.230 0.300 . 2 . . . . 53 LEU CD2 . 10319 1 650 . 1 1 53 53 LEU CG C 13 26.791 0.300 . 1 . . . . 53 LEU CG . 10319 1 651 . 1 1 53 53 LEU N N 15 122.088 0.300 . 1 . . . . 53 LEU N . 10319 1 652 . 1 1 54 54 ASP H H 1 7.635 0.030 . 1 . . . . 54 ASP H . 10319 1 653 . 1 1 54 54 ASP HA H 1 4.537 0.030 . 1 . . . . 54 ASP HA . 10319 1 654 . 1 1 54 54 ASP HB2 H 1 2.995 0.030 . 2 . . . . 54 ASP HB2 . 10319 1 655 . 1 1 54 54 ASP HB3 H 1 2.706 0.030 . 2 . . . . 54 ASP HB3 . 10319 1 656 . 1 1 54 54 ASP C C 13 175.325 0.300 . 1 . . . . 54 ASP C . 10319 1 657 . 1 1 54 54 ASP CA C 13 53.113 0.300 . 1 . . . . 54 ASP CA . 10319 1 658 . 1 1 54 54 ASP CB C 13 43.696 0.300 . 1 . . . . 54 ASP CB . 10319 1 659 . 1 1 54 54 ASP N N 15 119.112 0.300 . 1 . . . . 54 ASP N . 10319 1 660 . 1 1 55 55 GLU H H 1 9.359 0.030 . 1 . . . . 55 GLU H . 10319 1 661 . 1 1 55 55 GLU HA H 1 4.058 0.030 . 1 . . . . 55 GLU HA . 10319 1 662 . 1 1 55 55 GLU HB2 H 1 2.098 0.030 . 2 . . . . 55 GLU HB2 . 10319 1 663 . 1 1 55 55 GLU HB3 H 1 1.805 0.030 . 2 . . . . 55 GLU HB3 . 10319 1 664 . 1 1 55 55 GLU HG2 H 1 2.157 0.030 . 2 . . . . 55 GLU HG2 . 10319 1 665 . 1 1 55 55 GLU HG3 H 1 2.114 0.030 . 2 . . . . 55 GLU HG3 . 10319 1 666 . 1 1 55 55 GLU C C 13 174.850 0.300 . 1 . . . . 55 GLU C . 10319 1 667 . 1 1 55 55 GLU CA C 13 58.020 0.300 . 1 . . . . 55 GLU CA . 10319 1 668 . 1 1 55 55 GLU CB C 13 29.186 0.300 . 1 . . . . 55 GLU CB . 10319 1 669 . 1 1 55 55 GLU CG C 13 34.653 0.300 . 1 . . . . 55 GLU CG . 10319 1 670 . 1 1 55 55 GLU N N 15 116.269 0.300 . 1 . . . . 55 GLU N . 10319 1 671 . 1 1 56 56 ASN H H 1 8.890 0.030 . 1 . . . . 56 ASN H . 10319 1 672 . 1 1 56 56 ASN HA H 1 4.848 0.030 . 1 . . . . 56 ASN HA . 10319 1 673 . 1 1 56 56 ASN HB2 H 1 2.644 0.030 . 1 . . . . 56 ASN HB2 . 10319 1 674 . 1 1 56 56 ASN HB3 H 1 2.644 0.030 . 1 . . . . 56 ASN HB3 . 10319 1 675 . 1 1 56 56 ASN HD21 H 1 7.859 0.030 . 2 . . . . 56 ASN HD21 . 10319 1 676 . 1 1 56 56 ASN HD22 H 1 7.082 0.030 . 2 . . . . 56 ASN HD22 . 10319 1 677 . 1 1 56 56 ASN C C 13 176.174 0.300 . 1 . . . . 56 ASN C . 10319 1 678 . 1 1 56 56 ASN CA C 13 53.482 0.300 . 1 . . . . 56 ASN CA . 10319 1 679 . 1 1 56 56 ASN CB C 13 39.466 0.300 . 1 . . . . 56 ASN CB . 10319 1 680 . 1 1 56 56 ASN N N 15 118.171 0.300 . 1 . . . . 56 ASN N . 10319 1 681 . 1 1 56 56 ASN ND2 N 15 117.076 0.300 . 1 . . . . 56 ASN ND2 . 10319 1 682 . 1 1 57 57 CYS H H 1 7.558 0.030 . 1 . . . . 57 CYS H . 10319 1 683 . 1 1 57 57 CYS HA H 1 5.484 0.030 . 1 . . . . 57 CYS HA . 10319 1 684 . 1 1 57 57 CYS HB2 H 1 3.345 0.030 . 2 . . . . 57 CYS HB2 . 10319 1 685 . 1 1 57 57 CYS HB3 H 1 2.827 0.030 . 2 . . . . 57 CYS HB3 . 10319 1 686 . 1 1 57 57 CYS C C 13 172.702 0.300 . 1 . . . . 57 CYS C . 10319 1 687 . 1 1 57 57 CYS CA C 13 58.547 0.300 . 1 . . . . 57 CYS CA . 10319 1 688 . 1 1 57 57 CYS CB C 13 46.655 0.300 . 1 . . . . 57 CYS CB . 10319 1 689 . 1 1 57 57 CYS N N 15 118.902 0.300 . 1 . . . . 57 CYS N . 10319 1 690 . 1 1 58 58 CYS H H 1 9.402 0.030 . 1 . . . . 58 CYS H . 10319 1 691 . 1 1 58 58 CYS HA H 1 4.955 0.030 . 1 . . . . 58 CYS HA . 10319 1 692 . 1 1 58 58 CYS HB2 H 1 3.057 0.030 . 2 . . . . 58 CYS HB2 . 10319 1 693 . 1 1 58 58 CYS HB3 H 1 3.006 0.030 . 2 . . . . 58 CYS HB3 . 10319 1 694 . 1 1 58 58 CYS C C 13 171.553 0.300 . 1 . . . . 58 CYS C . 10319 1 695 . 1 1 58 58 CYS CA C 13 56.666 0.300 . 1 . . . . 58 CYS CA . 10319 1 696 . 1 1 58 58 CYS CB C 13 31.611 0.300 . 1 . . . . 58 CYS CB . 10319 1 697 . 1 1 58 58 CYS N N 15 116.116 0.300 . 1 . . . . 58 CYS N . 10319 1 698 . 1 1 59 59 VAL H H 1 8.788 0.030 . 1 . . . . 59 VAL H . 10319 1 699 . 1 1 59 59 VAL HA H 1 5.694 0.030 . 1 . . . . 59 VAL HA . 10319 1 700 . 1 1 59 59 VAL HB H 1 1.968 0.030 . 1 . . . . 59 VAL HB . 10319 1 701 . 1 1 59 59 VAL HG11 H 1 1.162 0.030 . 1 . . . . 59 VAL HG1 . 10319 1 702 . 1 1 59 59 VAL HG12 H 1 1.162 0.030 . 1 . . . . 59 VAL HG1 . 10319 1 703 . 1 1 59 59 VAL HG13 H 1 1.162 0.030 . 1 . . . . 59 VAL HG1 . 10319 1 704 . 1 1 59 59 VAL HG21 H 1 1.118 0.030 . 1 . . . . 59 VAL HG2 . 10319 1 705 . 1 1 59 59 VAL HG22 H 1 1.118 0.030 . 1 . . . . 59 VAL HG2 . 10319 1 706 . 1 1 59 59 VAL HG23 H 1 1.118 0.030 . 1 . . . . 59 VAL HG2 . 10319 1 707 . 1 1 59 59 VAL C C 13 173.777 0.300 . 1 . . . . 59 VAL C . 10319 1 708 . 1 1 59 59 VAL CA C 13 58.723 0.300 . 1 . . . . 59 VAL CA . 10319 1 709 . 1 1 59 59 VAL CB C 13 34.941 0.300 . 1 . . . . 59 VAL CB . 10319 1 710 . 1 1 59 59 VAL CG1 C 13 20.102 0.300 . 2 . . . . 59 VAL CG1 . 10319 1 711 . 1 1 59 59 VAL CG2 C 13 22.661 0.300 . 2 . . . . 59 VAL CG2 . 10319 1 712 . 1 1 59 59 VAL N N 15 119.962 0.300 . 1 . . . . 59 VAL N . 10319 1 713 . 1 1 60 60 GLU H H 1 8.899 0.030 . 1 . . . . 60 GLU H . 10319 1 714 . 1 1 60 60 GLU HA H 1 4.836 0.030 . 1 . . . . 60 GLU HA . 10319 1 715 . 1 1 60 60 GLU HB2 H 1 2.068 0.030 . 2 . . . . 60 GLU HB2 . 10319 1 716 . 1 1 60 60 GLU HB3 H 1 1.854 0.030 . 2 . . . . 60 GLU HB3 . 10319 1 717 . 1 1 60 60 GLU HG2 H 1 2.199 0.030 . 1 . . . . 60 GLU HG2 . 10319 1 718 . 1 1 60 60 GLU HG3 H 1 2.199 0.030 . 1 . . . . 60 GLU HG3 . 10319 1 719 . 1 1 60 60 GLU C C 13 175.316 0.300 . 1 . . . . 60 GLU C . 10319 1 720 . 1 1 60 60 GLU CA C 13 54.432 0.300 . 1 . . . . 60 GLU CA . 10319 1 721 . 1 1 60 60 GLU CB C 13 34.407 0.300 . 1 . . . . 60 GLU CB . 10319 1 722 . 1 1 60 60 GLU CG C 13 35.720 0.300 . 1 . . . . 60 GLU CG . 10319 1 723 . 1 1 60 60 GLU N N 15 124.392 0.300 . 1 . . . . 60 GLU N . 10319 1 724 . 1 1 61 61 SER H H 1 8.947 0.030 . 1 . . . . 61 SER H . 10319 1 725 . 1 1 61 61 SER HA H 1 4.286 0.030 . 1 . . . . 61 SER HA . 10319 1 726 . 1 1 61 61 SER HB2 H 1 3.856 0.030 . 2 . . . . 61 SER HB2 . 10319 1 727 . 1 1 61 61 SER HB3 H 1 3.803 0.030 . 2 . . . . 61 SER HB3 . 10319 1 728 . 1 1 61 61 SER C C 13 173.520 0.300 . 1 . . . . 61 SER C . 10319 1 729 . 1 1 61 61 SER CA C 13 58.741 0.300 . 1 . . . . 61 SER CA . 10319 1 730 . 1 1 61 61 SER CB C 13 63.384 0.300 . 1 . . . . 61 SER CB . 10319 1 731 . 1 1 61 61 SER N N 15 116.519 0.300 . 1 . . . . 61 SER N . 10319 1 732 . 1 1 62 62 LEU H H 1 7.640 0.030 . 1 . . . . 62 LEU H . 10319 1 733 . 1 1 62 62 LEU HA H 1 4.944 0.030 . 1 . . . . 62 LEU HA . 10319 1 734 . 1 1 62 62 LEU HB2 H 1 1.631 0.030 . 2 . . . . 62 LEU HB2 . 10319 1 735 . 1 1 62 62 LEU HB3 H 1 1.375 0.030 . 2 . . . . 62 LEU HB3 . 10319 1 736 . 1 1 62 62 LEU HD11 H 1 0.849 0.030 . 1 . . . . 62 LEU HD1 . 10319 1 737 . 1 1 62 62 LEU HD12 H 1 0.849 0.030 . 1 . . . . 62 LEU HD1 . 10319 1 738 . 1 1 62 62 LEU HD13 H 1 0.849 0.030 . 1 . . . . 62 LEU HD1 . 10319 1 739 . 1 1 62 62 LEU HD21 H 1 0.941 0.030 . 1 . . . . 62 LEU HD2 . 10319 1 740 . 1 1 62 62 LEU HD22 H 1 0.941 0.030 . 1 . . . . 62 LEU HD2 . 10319 1 741 . 1 1 62 62 LEU HD23 H 1 0.941 0.030 . 1 . . . . 62 LEU HD2 . 10319 1 742 . 1 1 62 62 LEU HG H 1 1.537 0.030 . 1 . . . . 62 LEU HG . 10319 1 743 . 1 1 62 62 LEU C C 13 174.399 0.300 . 1 . . . . 62 LEU C . 10319 1 744 . 1 1 62 62 LEU CA C 13 51.740 0.300 . 1 . . . . 62 LEU CA . 10319 1 745 . 1 1 62 62 LEU CB C 13 44.496 0.300 . 1 . . . . 62 LEU CB . 10319 1 746 . 1 1 62 62 LEU CD1 C 13 25.994 0.300 . 2 . . . . 62 LEU CD1 . 10319 1 747 . 1 1 62 62 LEU CD2 C 13 22.956 0.300 . 2 . . . . 62 LEU CD2 . 10319 1 748 . 1 1 62 62 LEU CG C 13 26.891 0.300 . 1 . . . . 62 LEU CG . 10319 1 749 . 1 1 62 62 LEU N N 15 128.181 0.300 . 1 . . . . 62 LEU N . 10319 1 750 . 1 1 63 63 PRO HA H 1 4.516 0.030 . 1 . . . . 63 PRO HA . 10319 1 751 . 1 1 63 63 PRO HB2 H 1 2.275 0.030 . 2 . . . . 63 PRO HB2 . 10319 1 752 . 1 1 63 63 PRO HB3 H 1 1.917 0.030 . 2 . . . . 63 PRO HB3 . 10319 1 753 . 1 1 63 63 PRO HD2 H 1 3.598 0.030 . 2 . . . . 63 PRO HD2 . 10319 1 754 . 1 1 63 63 PRO HD3 H 1 3.737 0.030 . 2 . . . . 63 PRO HD3 . 10319 1 755 . 1 1 63 63 PRO HG2 H 1 1.920 0.030 . 2 . . . . 63 PRO HG2 . 10319 1 756 . 1 1 63 63 PRO HG3 H 1 1.988 0.030 . 2 . . . . 63 PRO HG3 . 10319 1 757 . 1 1 63 63 PRO C C 13 175.044 0.300 . 1 . . . . 63 PRO C . 10319 1 758 . 1 1 63 63 PRO CA C 13 61.713 0.300 . 1 . . . . 63 PRO CA . 10319 1 759 . 1 1 63 63 PRO CB C 13 32.141 0.300 . 1 . . . . 63 PRO CB . 10319 1 760 . 1 1 63 63 PRO CD C 13 50.228 0.300 . 1 . . . . 63 PRO CD . 10319 1 761 . 1 1 63 63 PRO CG C 13 27.034 0.300 . 1 . . . . 63 PRO CG . 10319 1 762 . 1 1 64 64 ASP H H 1 8.205 0.030 . 1 . . . . 64 ASP H . 10319 1 763 . 1 1 64 64 ASP HA H 1 4.288 0.030 . 1 . . . . 64 ASP HA . 10319 1 764 . 1 1 64 64 ASP HB2 H 1 2.767 0.030 . 2 . . . . 64 ASP HB2 . 10319 1 765 . 1 1 64 64 ASP HB3 H 1 2.477 0.030 . 2 . . . . 64 ASP HB3 . 10319 1 766 . 1 1 64 64 ASP C C 13 176.058 0.300 . 1 . . . . 64 ASP C . 10319 1 767 . 1 1 64 64 ASP CA C 13 55.681 0.300 . 1 . . . . 64 ASP CA . 10319 1 768 . 1 1 64 64 ASP CB C 13 40.380 0.300 . 1 . . . . 64 ASP CB . 10319 1 769 . 1 1 64 64 ASP N N 15 119.378 0.300 . 1 . . . . 64 ASP N . 10319 1 770 . 1 1 65 65 LYS H H 1 7.575 0.030 . 1 . . . . 65 LYS H . 10319 1 771 . 1 1 65 65 LYS HA H 1 4.489 0.030 . 1 . . . . 65 LYS HA . 10319 1 772 . 1 1 65 65 LYS HB2 H 1 1.778 0.030 . 2 . . . . 65 LYS HB2 . 10319 1 773 . 1 1 65 65 LYS HB3 H 1 1.685 0.030 . 2 . . . . 65 LYS HB3 . 10319 1 774 . 1 1 65 65 LYS HD2 H 1 1.637 0.030 . 1 . . . . 65 LYS HD2 . 10319 1 775 . 1 1 65 65 LYS HD3 H 1 1.637 0.030 . 1 . . . . 65 LYS HD3 . 10319 1 776 . 1 1 65 65 LYS HE2 H 1 2.924 0.030 . 2 . . . . 65 LYS HE2 . 10319 1 777 . 1 1 65 65 LYS HG2 H 1 1.387 0.030 . 2 . . . . 65 LYS HG2 . 10319 1 778 . 1 1 65 65 LYS HG3 H 1 1.247 0.030 . 2 . . . . 65 LYS HG3 . 10319 1 779 . 1 1 65 65 LYS C C 13 175.461 0.300 . 1 . . . . 65 LYS C . 10319 1 780 . 1 1 65 65 LYS CA C 13 56.331 0.300 . 1 . . . . 65 LYS CA . 10319 1 781 . 1 1 65 65 LYS CB C 13 35.105 0.300 . 1 . . . . 65 LYS CB . 10319 1 782 . 1 1 65 65 LYS CD C 13 29.396 0.300 . 1 . . . . 65 LYS CD . 10319 1 783 . 1 1 65 65 LYS CE C 13 42.134 0.300 . 1 . . . . 65 LYS CE . 10319 1 784 . 1 1 65 65 LYS CG C 13 24.140 0.300 . 1 . . . . 65 LYS CG . 10319 1 785 . 1 1 65 65 LYS N N 15 119.752 0.300 . 1 . . . . 65 LYS N . 10319 1 786 . 1 1 66 66 ASP H H 1 9.111 0.030 . 1 . . . . 66 ASP H . 10319 1 787 . 1 1 66 66 ASP HA H 1 4.336 0.030 . 1 . . . . 66 ASP HA . 10319 1 788 . 1 1 66 66 ASP HB2 H 1 3.057 0.030 . 2 . . . . 66 ASP HB2 . 10319 1 789 . 1 1 66 66 ASP HB3 H 1 2.747 0.030 . 2 . . . . 66 ASP HB3 . 10319 1 790 . 1 1 66 66 ASP C C 13 175.664 0.300 . 1 . . . . 66 ASP C . 10319 1 791 . 1 1 66 66 ASP CA C 13 55.505 0.300 . 1 . . . . 66 ASP CA . 10319 1 792 . 1 1 66 66 ASP CB C 13 39.791 0.300 . 1 . . . . 66 ASP CB . 10319 1 793 . 1 1 66 66 ASP N N 15 121.323 0.300 . 1 . . . . 66 ASP N . 10319 1 794 . 1 1 67 67 GLY H H 1 8.461 0.030 . 1 . . . . 67 GLY H . 10319 1 795 . 1 1 67 67 GLY HA2 H 1 4.053 0.030 . 2 . . . . 67 GLY HA2 . 10319 1 796 . 1 1 67 67 GLY HA3 H 1 3.576 0.030 . 2 . . . . 67 GLY HA3 . 10319 1 797 . 1 1 67 67 GLY C C 13 173.818 0.300 . 1 . . . . 67 GLY C . 10319 1 798 . 1 1 67 67 GLY CA C 13 45.585 0.300 . 1 . . . . 67 GLY CA . 10319 1 799 . 1 1 67 67 GLY N N 15 105.261 0.300 . 1 . . . . 67 GLY N . 10319 1 800 . 1 1 68 68 LYS H H 1 7.877 0.030 . 1 . . . . 68 LYS H . 10319 1 801 . 1 1 68 68 LYS HA H 1 4.307 0.030 . 1 . . . . 68 LYS HA . 10319 1 802 . 1 1 68 68 LYS HB2 H 1 1.487 0.030 . 2 . . . . 68 LYS HB2 . 10319 1 803 . 1 1 68 68 LYS HB3 H 1 1.278 0.030 . 2 . . . . 68 LYS HB3 . 10319 1 804 . 1 1 68 68 LYS HD2 H 1 0.787 0.030 . 2 . . . . 68 LYS HD2 . 10319 1 805 . 1 1 68 68 LYS HD3 H 1 0.906 0.030 . 2 . . . . 68 LYS HD3 . 10319 1 806 . 1 1 68 68 LYS HE2 H 1 1.988 0.030 . 2 . . . . 68 LYS HE2 . 10319 1 807 . 1 1 68 68 LYS HE3 H 1 2.154 0.030 . 2 . . . . 68 LYS HE3 . 10319 1 808 . 1 1 68 68 LYS HG2 H 1 0.237 0.030 . 2 . . . . 68 LYS HG2 . 10319 1 809 . 1 1 68 68 LYS HG3 H 1 0.536 0.030 . 2 . . . . 68 LYS HG3 . 10319 1 810 . 1 1 68 68 LYS C C 13 174.904 0.300 . 1 . . . . 68 LYS C . 10319 1 811 . 1 1 68 68 LYS CA C 13 53.183 0.300 . 1 . . . . 68 LYS CA . 10319 1 812 . 1 1 68 68 LYS CB C 13 34.160 0.300 . 1 . . . . 68 LYS CB . 10319 1 813 . 1 1 68 68 LYS CD C 13 27.317 0.300 . 1 . . . . 68 LYS CD . 10319 1 814 . 1 1 68 68 LYS CE C 13 41.506 0.300 . 1 . . . . 68 LYS CE . 10319 1 815 . 1 1 68 68 LYS CG C 13 23.179 0.300 . 1 . . . . 68 LYS CG . 10319 1 816 . 1 1 68 68 LYS N N 15 121.019 0.300 . 1 . . . . 68 LYS N . 10319 1 817 . 1 1 69 69 LYS H H 1 8.118 0.030 . 1 . . . . 69 LYS H . 10319 1 818 . 1 1 69 69 LYS HA H 1 4.736 0.030 . 1 . . . . 69 LYS HA . 10319 1 819 . 1 1 69 69 LYS HB2 H 1 1.876 0.030 . 2 . . . . 69 LYS HB2 . 10319 1 820 . 1 1 69 69 LYS HB3 H 1 1.593 0.030 . 2 . . . . 69 LYS HB3 . 10319 1 821 . 1 1 69 69 LYS HD2 H 1 1.570 0.030 . 2 . . . . 69 LYS HD2 . 10319 1 822 . 1 1 69 69 LYS HD3 H 1 1.527 0.030 . 2 . . . . 69 LYS HD3 . 10319 1 823 . 1 1 69 69 LYS HE2 H 1 2.873 0.030 . 2 . . . . 69 LYS HE2 . 10319 1 824 . 1 1 69 69 LYS HG2 H 1 1.157 0.030 . 1 . . . . 69 LYS HG2 . 10319 1 825 . 1 1 69 69 LYS HG3 H 1 1.157 0.030 . 1 . . . . 69 LYS HG3 . 10319 1 826 . 1 1 69 69 LYS C C 13 174.827 0.300 . 1 . . . . 69 LYS C . 10319 1 827 . 1 1 69 69 LYS CA C 13 53.922 0.300 . 1 . . . . 69 LYS CA . 10319 1 828 . 1 1 69 69 LYS CB C 13 36.708 0.300 . 1 . . . . 69 LYS CB . 10319 1 829 . 1 1 69 69 LYS CD C 13 29.071 0.300 . 1 . . . . 69 LYS CD . 10319 1 830 . 1 1 69 69 LYS CE C 13 42.298 0.300 . 1 . . . . 69 LYS CE . 10319 1 831 . 1 1 69 69 LYS CG C 13 25.117 0.300 . 1 . . . . 69 LYS CG . 10319 1 832 . 1 1 69 69 LYS N N 15 119.127 0.300 . 1 . . . . 69 LYS N . 10319 1 833 . 1 1 70 70 CYS H H 1 8.423 0.030 . 1 . . . . 70 CYS H . 10319 1 834 . 1 1 70 70 CYS HA H 1 3.827 0.030 . 1 . . . . 70 CYS HA . 10319 1 835 . 1 1 70 70 CYS HB2 H 1 2.387 0.030 . 2 . . . . 70 CYS HB2 . 10319 1 836 . 1 1 70 70 CYS HB3 H 1 3.538 0.030 . 2 . . . . 70 CYS HB3 . 10319 1 837 . 1 1 70 70 CYS C C 13 174.673 0.300 . 1 . . . . 70 CYS C . 10319 1 838 . 1 1 70 70 CYS CA C 13 59.461 0.300 . 1 . . . . 70 CYS CA . 10319 1 839 . 1 1 70 70 CYS CB C 13 25.816 0.300 . 1 . . . . 70 CYS CB . 10319 1 840 . 1 1 70 70 CYS N N 15 114.977 0.300 . 1 . . . . 70 CYS N . 10319 1 841 . 1 1 71 71 LEU H H 1 9.468 0.030 . 1 . . . . 71 LEU H . 10319 1 842 . 1 1 71 71 LEU HA H 1 5.409 0.030 . 1 . . . . 71 LEU HA . 10319 1 843 . 1 1 71 71 LEU HB2 H 1 1.777 0.030 . 2 . . . . 71 LEU HB2 . 10319 1 844 . 1 1 71 71 LEU HB3 H 1 1.297 0.030 . 2 . . . . 71 LEU HB3 . 10319 1 845 . 1 1 71 71 LEU HD11 H 1 0.948 0.030 . 1 . . . . 71 LEU HD1 . 10319 1 846 . 1 1 71 71 LEU HD12 H 1 0.948 0.030 . 1 . . . . 71 LEU HD1 . 10319 1 847 . 1 1 71 71 LEU HD13 H 1 0.948 0.030 . 1 . . . . 71 LEU HD1 . 10319 1 848 . 1 1 71 71 LEU HD21 H 1 0.697 0.030 . 1 . . . . 71 LEU HD2 . 10319 1 849 . 1 1 71 71 LEU HD22 H 1 0.697 0.030 . 1 . . . . 71 LEU HD2 . 10319 1 850 . 1 1 71 71 LEU HD23 H 1 0.697 0.030 . 1 . . . . 71 LEU HD2 . 10319 1 851 . 1 1 71 71 LEU HG H 1 1.306 0.030 . 1 . . . . 71 LEU HG . 10319 1 852 . 1 1 71 71 LEU C C 13 179.015 0.300 . 1 . . . . 71 LEU C . 10319 1 853 . 1 1 71 71 LEU CA C 13 54.346 0.300 . 1 . . . . 71 LEU CA . 10319 1 854 . 1 1 71 71 LEU CB C 13 46.254 0.300 . 1 . . . . 71 LEU CB . 10319 1 855 . 1 1 71 71 LEU CD1 C 13 26.148 0.300 . 2 . . . . 71 LEU CD1 . 10319 1 856 . 1 1 71 71 LEU CD2 C 13 26.021 0.300 . 2 . . . . 71 LEU CD2 . 10319 1 857 . 1 1 71 71 LEU CG C 13 27.957 0.300 . 1 . . . . 71 LEU CG . 10319 1 858 . 1 1 71 71 LEU N N 15 120.076 0.300 . 1 . . . . 71 LEU N . 10319 1 859 . 1 1 72 72 PHE H H 1 9.533 0.030 . 1 . . . . 72 PHE H . 10319 1 860 . 1 1 72 72 PHE HA H 1 5.030 0.030 . 1 . . . . 72 PHE HA . 10319 1 861 . 1 1 72 72 PHE HB2 H 1 3.098 0.030 . 2 . . . . 72 PHE HB2 . 10319 1 862 . 1 1 72 72 PHE HB3 H 1 3.057 0.030 . 2 . . . . 72 PHE HB3 . 10319 1 863 . 1 1 72 72 PHE HD1 H 1 6.835 0.030 . 1 . . . . 72 PHE HD1 . 10319 1 864 . 1 1 72 72 PHE HD2 H 1 6.835 0.030 . 1 . . . . 72 PHE HD2 . 10319 1 865 . 1 1 72 72 PHE HE1 H 1 6.742 0.030 . 1 . . . . 72 PHE HE1 . 10319 1 866 . 1 1 72 72 PHE HE2 H 1 6.742 0.030 . 1 . . . . 72 PHE HE2 . 10319 1 867 . 1 1 72 72 PHE HZ H 1 6.366 0.030 . 1 . . . . 72 PHE HZ . 10319 1 868 . 1 1 72 72 PHE C C 13 170.214 0.300 . 1 . . . . 72 PHE C . 10319 1 869 . 1 1 72 72 PHE CA C 13 56.894 0.300 . 1 . . . . 72 PHE CA . 10319 1 870 . 1 1 72 72 PHE CB C 13 41.558 0.300 . 1 . . . . 72 PHE CB . 10319 1 871 . 1 1 72 72 PHE CD1 C 13 132.260 0.300 . 1 . . . . 72 PHE CD1 . 10319 1 872 . 1 1 72 72 PHE CD2 C 13 132.260 0.300 . 1 . . . . 72 PHE CD2 . 10319 1 873 . 1 1 72 72 PHE CE1 C 13 130.001 0.300 . 1 . . . . 72 PHE CE1 . 10319 1 874 . 1 1 72 72 PHE CE2 C 13 130.001 0.300 . 1 . . . . 72 PHE CE2 . 10319 1 875 . 1 1 72 72 PHE CZ C 13 129.507 0.300 . 1 . . . . 72 PHE CZ . 10319 1 876 . 1 1 72 72 PHE N N 15 118.223 0.300 . 1 . . . . 72 PHE N . 10319 1 877 . 1 1 73 73 LEU H H 1 9.302 0.030 . 1 . . . . 73 LEU H . 10319 1 878 . 1 1 73 73 LEU HA H 1 5.475 0.030 . 1 . . . . 73 LEU HA . 10319 1 879 . 1 1 73 73 LEU HB2 H 1 1.708 0.030 . 2 . . . . 73 LEU HB2 . 10319 1 880 . 1 1 73 73 LEU HB3 H 1 1.497 0.030 . 2 . . . . 73 LEU HB3 . 10319 1 881 . 1 1 73 73 LEU HD11 H 1 0.857 0.030 . 1 . . . . 73 LEU HD1 . 10319 1 882 . 1 1 73 73 LEU HD12 H 1 0.857 0.030 . 1 . . . . 73 LEU HD1 . 10319 1 883 . 1 1 73 73 LEU HD13 H 1 0.857 0.030 . 1 . . . . 73 LEU HD1 . 10319 1 884 . 1 1 73 73 LEU HD21 H 1 0.887 0.030 . 1 . . . . 73 LEU HD2 . 10319 1 885 . 1 1 73 73 LEU HD22 H 1 0.887 0.030 . 1 . . . . 73 LEU HD2 . 10319 1 886 . 1 1 73 73 LEU HD23 H 1 0.887 0.030 . 1 . . . . 73 LEU HD2 . 10319 1 887 . 1 1 73 73 LEU HG H 1 1.527 0.030 . 1 . . . . 73 LEU HG . 10319 1 888 . 1 1 73 73 LEU C C 13 176.383 0.300 . 1 . . . . 73 LEU C . 10319 1 889 . 1 1 73 73 LEU CA C 13 52.832 0.300 . 1 . . . . 73 LEU CA . 10319 1 890 . 1 1 73 73 LEU CB C 13 46.819 0.300 . 1 . . . . 73 LEU CB . 10319 1 891 . 1 1 73 73 LEU CD1 C 13 26.521 0.300 . 2 . . . . 73 LEU CD1 . 10319 1 892 . 1 1 73 73 LEU CD2 C 13 25.117 0.300 . 2 . . . . 73 LEU CD2 . 10319 1 893 . 1 1 73 73 LEU CG C 13 26.811 0.300 . 1 . . . . 73 LEU CG . 10319 1 894 . 1 1 73 73 LEU N N 15 119.623 0.300 . 1 . . . . 73 LEU N . 10319 1 895 . 1 1 74 74 VAL H H 1 8.877 0.030 . 1 . . . . 74 VAL H . 10319 1 896 . 1 1 74 74 VAL HA H 1 4.780 0.030 . 1 . . . . 74 VAL HA . 10319 1 897 . 1 1 74 74 VAL HB H 1 2.027 0.030 . 1 . . . . 74 VAL HB . 10319 1 898 . 1 1 74 74 VAL HG11 H 1 0.923 0.030 . 1 . . . . 74 VAL HG1 . 10319 1 899 . 1 1 74 74 VAL HG12 H 1 0.923 0.030 . 1 . . . . 74 VAL HG1 . 10319 1 900 . 1 1 74 74 VAL HG13 H 1 0.923 0.030 . 1 . . . . 74 VAL HG1 . 10319 1 901 . 1 1 74 74 VAL HG21 H 1 1.031 0.030 . 1 . . . . 74 VAL HG2 . 10319 1 902 . 1 1 74 74 VAL HG22 H 1 1.031 0.030 . 1 . . . . 74 VAL HG2 . 10319 1 903 . 1 1 74 74 VAL HG23 H 1 1.031 0.030 . 1 . . . . 74 VAL HG2 . 10319 1 904 . 1 1 74 74 VAL C C 13 174.152 0.300 . 1 . . . . 74 VAL C . 10319 1 905 . 1 1 74 74 VAL CA C 13 61.800 0.300 . 1 . . . . 74 VAL CA . 10319 1 906 . 1 1 74 74 VAL CB C 13 33.954 0.300 . 1 . . . . 74 VAL CB . 10319 1 907 . 1 1 74 74 VAL CG1 C 13 21.227 0.300 . 2 . . . . 74 VAL CG1 . 10319 1 908 . 1 1 74 74 VAL CG2 C 13 21.869 0.300 . 2 . . . . 74 VAL CG2 . 10319 1 909 . 1 1 74 74 VAL N N 15 123.218 0.300 . 1 . . . . 74 VAL N . 10319 1 910 . 1 1 75 75 LYS H H 1 9.137 0.030 . 1 . . . . 75 LYS H . 10319 1 911 . 1 1 75 75 LYS HA H 1 5.325 0.030 . 1 . . . . 75 LYS HA . 10319 1 912 . 1 1 75 75 LYS HB2 H 1 1.906 0.030 . 2 . . . . 75 LYS HB2 . 10319 1 913 . 1 1 75 75 LYS HB3 H 1 1.547 0.030 . 2 . . . . 75 LYS HB3 . 10319 1 914 . 1 1 75 75 LYS HD2 H 1 1.577 0.030 . 1 . . . . 75 LYS HD2 . 10319 1 915 . 1 1 75 75 LYS HD3 H 1 1.577 0.030 . 1 . . . . 75 LYS HD3 . 10319 1 916 . 1 1 75 75 LYS HE2 H 1 2.860 0.030 . 1 . . . . 75 LYS HE2 . 10319 1 917 . 1 1 75 75 LYS HE3 H 1 2.860 0.030 . 1 . . . . 75 LYS HE3 . 10319 1 918 . 1 1 75 75 LYS HG2 H 1 1.247 0.030 . 2 . . . . 75 LYS HG2 . 10319 1 919 . 1 1 75 75 LYS HG3 H 1 1.334 0.030 . 2 . . . . 75 LYS HG3 . 10319 1 920 . 1 1 75 75 LYS C C 13 175.597 0.300 . 1 . . . . 75 LYS C . 10319 1 921 . 1 1 75 75 LYS CA C 13 54.836 0.300 . 1 . . . . 75 LYS CA . 10319 1 922 . 1 1 75 75 LYS CB C 13 35.582 0.300 . 1 . . . . 75 LYS CB . 10319 1 923 . 1 1 75 75 LYS CD C 13 29.556 0.300 . 1 . . . . 75 LYS CD . 10319 1 924 . 1 1 75 75 LYS CE C 13 42.134 0.300 . 1 . . . . 75 LYS CE . 10319 1 925 . 1 1 75 75 LYS CG C 13 24.422 0.300 . 1 . . . . 75 LYS CG . 10319 1 926 . 1 1 75 75 LYS N N 15 128.665 0.300 . 1 . . . . 75 LYS N . 10319 1 927 . 1 1 76 76 CYS H H 1 8.789 0.030 . 1 . . . . 76 CYS H . 10319 1 928 . 1 1 76 76 CYS HA H 1 4.933 0.030 . 1 . . . . 76 CYS HA . 10319 1 929 . 1 1 76 76 CYS HB2 H 1 3.385 0.030 . 2 . . . . 76 CYS HB2 . 10319 1 930 . 1 1 76 76 CYS HB3 H 1 2.936 0.030 . 2 . . . . 76 CYS HB3 . 10319 1 931 . 1 1 76 76 CYS C C 13 174.350 0.300 . 1 . . . . 76 CYS C . 10319 1 932 . 1 1 76 76 CYS CA C 13 54.819 0.300 . 1 . . . . 76 CYS CA . 10319 1 933 . 1 1 76 76 CYS CB C 13 45.792 0.300 . 1 . . . . 76 CYS CB . 10319 1 934 . 1 1 76 76 CYS N N 15 124.592 0.300 . 1 . . . . 76 CYS N . 10319 1 935 . 1 1 77 77 PHE H H 1 9.228 0.030 . 1 . . . . 77 PHE H . 10319 1 936 . 1 1 77 77 PHE HA H 1 4.152 0.030 . 1 . . . . 77 PHE HA . 10319 1 937 . 1 1 77 77 PHE HB2 H 1 3.309 0.030 . 2 . . . . 77 PHE HB2 . 10319 1 938 . 1 1 77 77 PHE HB3 H 1 3.256 0.030 . 2 . . . . 77 PHE HB3 . 10319 1 939 . 1 1 77 77 PHE HD1 H 1 7.268 0.030 . 1 . . . . 77 PHE HD1 . 10319 1 940 . 1 1 77 77 PHE HD2 H 1 7.268 0.030 . 1 . . . . 77 PHE HD2 . 10319 1 941 . 1 1 77 77 PHE HE1 H 1 7.357 0.030 . 1 . . . . 77 PHE HE1 . 10319 1 942 . 1 1 77 77 PHE HE2 H 1 7.357 0.030 . 1 . . . . 77 PHE HE2 . 10319 1 943 . 1 1 77 77 PHE HZ H 1 7.297 0.030 . 1 . . . . 77 PHE HZ . 10319 1 944 . 1 1 77 77 PHE C C 13 174.993 0.300 . 1 . . . . 77 PHE C . 10319 1 945 . 1 1 77 77 PHE CA C 13 60.200 0.300 . 1 . . . . 77 PHE CA . 10319 1 946 . 1 1 77 77 PHE CB C 13 36.987 0.300 . 1 . . . . 77 PHE CB . 10319 1 947 . 1 1 77 77 PHE CD1 C 13 131.633 0.300 . 1 . . . . 77 PHE CD1 . 10319 1 948 . 1 1 77 77 PHE CD2 C 13 131.633 0.300 . 1 . . . . 77 PHE CD2 . 10319 1 949 . 1 1 77 77 PHE CE1 C 13 131.633 0.300 . 1 . . . . 77 PHE CE1 . 10319 1 950 . 1 1 77 77 PHE CE2 C 13 131.633 0.300 . 1 . . . . 77 PHE CE2 . 10319 1 951 . 1 1 77 77 PHE CZ C 13 130.043 0.300 . 1 . . . . 77 PHE CZ . 10319 1 952 . 1 1 77 77 PHE N N 15 123.914 0.300 . 1 . . . . 77 PHE N . 10319 1 953 . 1 1 78 78 ASP H H 1 8.689 0.030 . 1 . . . . 78 ASP H . 10319 1 954 . 1 1 78 78 ASP HA H 1 4.467 0.030 . 1 . . . . 78 ASP HA . 10319 1 955 . 1 1 78 78 ASP HB2 H 1 2.737 0.030 . 2 . . . . 78 ASP HB2 . 10319 1 956 . 1 1 78 78 ASP HB3 H 1 2.530 0.030 . 2 . . . . 78 ASP HB3 . 10319 1 957 . 1 1 78 78 ASP C C 13 175.566 0.300 . 1 . . . . 78 ASP C . 10319 1 958 . 1 1 78 78 ASP CA C 13 54.238 0.300 . 1 . . . . 78 ASP CA . 10319 1 959 . 1 1 78 78 ASP CB C 13 40.499 0.300 . 1 . . . . 78 ASP CB . 10319 1 960 . 1 1 78 78 ASP N N 15 119.241 0.300 . 1 . . . . 78 ASP N . 10319 1 961 . 1 1 79 79 LYS H H 1 7.869 0.030 . 1 . . . . 79 LYS H . 10319 1 962 . 1 1 79 79 LYS HA H 1 4.465 0.030 . 1 . . . . 79 LYS HA . 10319 1 963 . 1 1 79 79 LYS HB2 H 1 1.896 0.030 . 2 . . . . 79 LYS HB2 . 10319 1 964 . 1 1 79 79 LYS HB3 H 1 1.647 0.030 . 2 . . . . 79 LYS HB3 . 10319 1 965 . 1 1 79 79 LYS HD2 H 1 1.739 0.030 . 1 . . . . 79 LYS HD2 . 10319 1 966 . 1 1 79 79 LYS HD3 H 1 1.739 0.030 . 1 . . . . 79 LYS HD3 . 10319 1 967 . 1 1 79 79 LYS HE2 H 1 3.057 0.030 . 1 . . . . 79 LYS HE2 . 10319 1 968 . 1 1 79 79 LYS HE3 H 1 3.057 0.030 . 1 . . . . 79 LYS HE3 . 10319 1 969 . 1 1 79 79 LYS HG2 H 1 1.366 0.030 . 2 . . . . 79 LYS HG2 . 10319 1 970 . 1 1 79 79 LYS HG3 H 1 1.499 0.030 . 2 . . . . 79 LYS HG3 . 10319 1 971 . 1 1 79 79 LYS C C 13 174.661 0.300 . 1 . . . . 79 LYS C . 10319 1 972 . 1 1 79 79 LYS CA C 13 55.698 0.300 . 1 . . . . 79 LYS CA . 10319 1 973 . 1 1 79 79 LYS CB C 13 34.982 0.300 . 1 . . . . 79 LYS CB . 10319 1 974 . 1 1 79 79 LYS CD C 13 29.063 0.300 . 1 . . . . 79 LYS CD . 10319 1 975 . 1 1 79 79 LYS CE C 13 42.463 0.300 . 1 . . . . 79 LYS CE . 10319 1 976 . 1 1 79 79 LYS CG C 13 24.811 0.300 . 1 . . . . 79 LYS CG . 10319 1 977 . 1 1 79 79 LYS N N 15 120.886 0.300 . 1 . . . . 79 LYS N . 10319 1 978 . 1 1 80 80 THR H H 1 8.008 0.030 . 1 . . . . 80 THR H . 10319 1 979 . 1 1 80 80 THR HA H 1 5.064 0.030 . 1 . . . . 80 THR HA . 10319 1 980 . 1 1 80 80 THR HB H 1 3.906 0.030 . 1 . . . . 80 THR HB . 10319 1 981 . 1 1 80 80 THR HG21 H 1 1.078 0.030 . 1 . . . . 80 THR HG2 . 10319 1 982 . 1 1 80 80 THR HG22 H 1 1.078 0.030 . 1 . . . . 80 THR HG2 . 10319 1 983 . 1 1 80 80 THR HG23 H 1 1.078 0.030 . 1 . . . . 80 THR HG2 . 10319 1 984 . 1 1 80 80 THR C C 13 173.486 0.300 . 1 . . . . 80 THR C . 10319 1 985 . 1 1 80 80 THR CA C 13 60.482 0.300 . 1 . . . . 80 THR CA . 10319 1 986 . 1 1 80 80 THR CB C 13 71.508 0.300 . 1 . . . . 80 THR CB . 10319 1 987 . 1 1 80 80 THR CG2 C 13 22.404 0.300 . 1 . . . . 80 THR CG2 . 10319 1 988 . 1 1 80 80 THR N N 15 115.004 0.300 . 1 . . . . 80 THR N . 10319 1 989 . 1 1 81 81 PHE H H 1 9.012 0.030 . 1 . . . . 81 PHE H . 10319 1 990 . 1 1 81 81 PHE HA H 1 4.814 0.030 . 1 . . . . 81 PHE HA . 10319 1 991 . 1 1 81 81 PHE HB2 H 1 2.895 0.030 . 2 . . . . 81 PHE HB2 . 10319 1 992 . 1 1 81 81 PHE HB3 H 1 2.667 0.030 . 2 . . . . 81 PHE HB3 . 10319 1 993 . 1 1 81 81 PHE HD1 H 1 7.088 0.030 . 1 . . . . 81 PHE HD1 . 10319 1 994 . 1 1 81 81 PHE HD2 H 1 7.088 0.030 . 1 . . . . 81 PHE HD2 . 10319 1 995 . 1 1 81 81 PHE HE1 H 1 7.266 0.030 . 1 . . . . 81 PHE HE1 . 10319 1 996 . 1 1 81 81 PHE HE2 H 1 7.266 0.030 . 1 . . . . 81 PHE HE2 . 10319 1 997 . 1 1 81 81 PHE HZ H 1 7.219 0.030 . 1 . . . . 81 PHE HZ . 10319 1 998 . 1 1 81 81 PHE C C 13 173.547 0.300 . 1 . . . . 81 PHE C . 10319 1 999 . 1 1 81 81 PHE CA C 13 55.944 0.300 . 1 . . . . 81 PHE CA . 10319 1 1000 . 1 1 81 81 PHE CB C 13 41.394 0.300 . 1 . . . . 81 PHE CB . 10319 1 1001 . 1 1 81 81 PHE CD1 C 13 131.471 0.300 . 1 . . . . 81 PHE CD1 . 10319 1 1002 . 1 1 81 81 PHE CD2 C 13 131.471 0.300 . 1 . . . . 81 PHE CD2 . 10319 1 1003 . 1 1 81 81 PHE CE1 C 13 131.460 0.300 . 1 . . . . 81 PHE CE1 . 10319 1 1004 . 1 1 81 81 PHE CE2 C 13 131.460 0.300 . 1 . . . . 81 PHE CE2 . 10319 1 1005 . 1 1 81 81 PHE CZ C 13 130.015 0.300 . 1 . . . . 81 PHE CZ . 10319 1 1006 . 1 1 81 81 PHE N N 15 123.053 0.300 . 1 . . . . 81 PHE N . 10319 1 1007 . 1 1 82 82 GLU H H 1 8.811 0.030 . 1 . . . . 82 GLU H . 10319 1 1008 . 1 1 82 82 GLU HA H 1 4.713 0.030 . 1 . . . . 82 GLU HA . 10319 1 1009 . 1 1 82 82 GLU HB2 H 1 1.767 0.030 . 2 . . . . 82 GLU HB2 . 10319 1 1010 . 1 1 82 82 GLU HB3 H 1 1.669 0.030 . 2 . . . . 82 GLU HB3 . 10319 1 1011 . 1 1 82 82 GLU HG2 H 1 2.017 0.030 . 1 . . . . 82 GLU HG2 . 10319 1 1012 . 1 1 82 82 GLU HG3 H 1 2.017 0.030 . 1 . . . . 82 GLU HG3 . 10319 1 1013 . 1 1 82 82 GLU C C 13 174.133 0.300 . 1 . . . . 82 GLU C . 10319 1 1014 . 1 1 82 82 GLU CA C 13 56.244 0.300 . 1 . . . . 82 GLU CA . 10319 1 1015 . 1 1 82 82 GLU CB C 13 31.611 0.300 . 1 . . . . 82 GLU CB . 10319 1 1016 . 1 1 82 82 GLU CG C 13 36.911 0.300 . 1 . . . . 82 GLU CG . 10319 1 1017 . 1 1 82 82 GLU N N 15 125.567 0.300 . 1 . . . . 82 GLU N . 10319 1 1018 . 1 1 83 83 ILE H H 1 8.478 0.030 . 1 . . . . 83 ILE H . 10319 1 1019 . 1 1 83 83 ILE HA H 1 4.758 0.030 . 1 . . . . 83 ILE HA . 10319 1 1020 . 1 1 83 83 ILE HB H 1 -0.153 0.030 . 1 . . . . 83 ILE HB . 10319 1 1021 . 1 1 83 83 ILE HD11 H 1 0.087 0.030 . 1 . . . . 83 ILE HD1 . 10319 1 1022 . 1 1 83 83 ILE HD12 H 1 0.087 0.030 . 1 . . . . 83 ILE HD1 . 10319 1 1023 . 1 1 83 83 ILE HD13 H 1 0.087 0.030 . 1 . . . . 83 ILE HD1 . 10319 1 1024 . 1 1 83 83 ILE HG12 H 1 0.355 0.030 . 2 . . . . 83 ILE HG12 . 10319 1 1025 . 1 1 83 83 ILE HG13 H 1 0.907 0.030 . 2 . . . . 83 ILE HG13 . 10319 1 1026 . 1 1 83 83 ILE HG21 H 1 0.067 0.030 . 1 . . . . 83 ILE HG2 . 10319 1 1027 . 1 1 83 83 ILE HG22 H 1 0.067 0.030 . 1 . . . . 83 ILE HG2 . 10319 1 1028 . 1 1 83 83 ILE HG23 H 1 0.067 0.030 . 1 . . . . 83 ILE HG2 . 10319 1 1029 . 1 1 83 83 ILE C C 13 173.479 0.300 . 1 . . . . 83 ILE C . 10319 1 1030 . 1 1 83 83 ILE CA C 13 59.216 0.300 . 1 . . . . 83 ILE CA . 10319 1 1031 . 1 1 83 83 ILE CB C 13 40.777 0.300 . 1 . . . . 83 ILE CB . 10319 1 1032 . 1 1 83 83 ILE CD1 C 13 12.540 0.300 . 1 . . . . 83 ILE CD1 . 10319 1 1033 . 1 1 83 83 ILE CG1 C 13 27.362 0.300 . 1 . . . . 83 ILE CG1 . 10319 1 1034 . 1 1 83 83 ILE CG2 C 13 20.427 0.300 . 1 . . . . 83 ILE CG2 . 10319 1 1035 . 1 1 83 83 ILE N N 15 124.737 0.300 . 1 . . . . 83 ILE N . 10319 1 1036 . 1 1 84 84 SER H H 1 8.900 0.030 . 1 . . . . 84 SER H . 10319 1 1037 . 1 1 84 84 SER HA H 1 5.049 0.030 . 1 . . . . 84 SER HA . 10319 1 1038 . 1 1 84 84 SER HB2 H 1 3.155 0.030 . 2 . . . . 84 SER HB2 . 10319 1 1039 . 1 1 84 84 SER HB3 H 1 3.099 0.030 . 2 . . . . 84 SER HB3 . 10319 1 1040 . 1 1 84 84 SER C C 13 174.721 0.300 . 1 . . . . 84 SER C . 10319 1 1041 . 1 1 84 84 SER CA C 13 55.821 0.300 . 1 . . . . 84 SER CA . 10319 1 1042 . 1 1 84 84 SER CB C 13 65.168 0.300 . 1 . . . . 84 SER CB . 10319 1 1043 . 1 1 84 84 SER N N 15 117.273 0.300 . 1 . . . . 84 SER N . 10319 1 1044 . 1 1 85 85 ALA H H 1 8.627 0.030 . 1 . . . . 85 ALA H . 10319 1 1045 . 1 1 85 85 ALA HA H 1 4.792 0.030 . 1 . . . . 85 ALA HA . 10319 1 1046 . 1 1 85 85 ALA HB1 H 1 1.547 0.030 . 1 . . . . 85 ALA HB . 10319 1 1047 . 1 1 85 85 ALA HB2 H 1 1.547 0.030 . 1 . . . . 85 ALA HB . 10319 1 1048 . 1 1 85 85 ALA HB3 H 1 1.547 0.030 . 1 . . . . 85 ALA HB . 10319 1 1049 . 1 1 85 85 ALA C C 13 176.754 0.300 . 1 . . . . 85 ALA C . 10319 1 1050 . 1 1 85 85 ALA CA C 13 50.106 0.300 . 1 . . . . 85 ALA CA . 10319 1 1051 . 1 1 85 85 ALA CB C 13 21.025 0.300 . 1 . . . . 85 ALA CB . 10319 1 1052 . 1 1 85 85 ALA N N 15 129.885 0.300 . 1 . . . . 85 ALA N . 10319 1 1053 . 1 1 86 86 SER H H 1 8.410 0.030 . 1 . . . . 86 SER H . 10319 1 1054 . 1 1 86 86 SER HA H 1 4.017 0.030 . 1 . . . . 86 SER HA . 10319 1 1055 . 1 1 86 86 SER HB2 H 1 4.075 0.030 . 2 . . . . 86 SER HB2 . 10319 1 1056 . 1 1 86 86 SER HB3 H 1 3.958 0.030 . 2 . . . . 86 SER HB3 . 10319 1 1057 . 1 1 86 86 SER C C 13 174.186 0.300 . 1 . . . . 86 SER C . 10319 1 1058 . 1 1 86 86 SER CA C 13 61.186 0.300 . 1 . . . . 86 SER CA . 10319 1 1059 . 1 1 86 86 SER CB C 13 63.466 0.300 . 1 . . . . 86 SER CB . 10319 1 1060 . 1 1 86 86 SER N N 15 111.184 0.300 . 1 . . . . 86 SER N . 10319 1 1061 . 1 1 87 87 ASP H H 1 7.459 0.030 . 1 . . . . 87 ASP H . 10319 1 1062 . 1 1 87 87 ASP HA H 1 4.814 0.030 . 1 . . . . 87 ASP HA . 10319 1 1063 . 1 1 87 87 ASP HB2 H 1 3.017 0.030 . 2 . . . . 87 ASP HB2 . 10319 1 1064 . 1 1 87 87 ASP HB3 H 1 2.955 0.030 . 2 . . . . 87 ASP HB3 . 10319 1 1065 . 1 1 87 87 ASP C C 13 176.359 0.300 . 1 . . . . 87 ASP C . 10319 1 1066 . 1 1 87 87 ASP CA C 13 54.484 0.300 . 1 . . . . 87 ASP CA . 10319 1 1067 . 1 1 87 87 ASP CB C 13 42.874 0.300 . 1 . . . . 87 ASP CB . 10319 1 1068 . 1 1 87 87 ASP N N 15 114.317 0.300 . 1 . . . . 87 ASP N . 10319 1 1069 . 1 1 88 88 LYS H H 1 8.656 0.030 . 1 . . . . 88 LYS H . 10319 1 1070 . 1 1 88 88 LYS HA H 1 3.890 0.030 . 1 . . . . 88 LYS HA . 10319 1 1071 . 1 1 88 88 LYS HB2 H 1 1.876 0.030 . 1 . . . . 88 LYS HB2 . 10319 1 1072 . 1 1 88 88 LYS HB3 H 1 1.876 0.030 . 1 . . . . 88 LYS HB3 . 10319 1 1073 . 1 1 88 88 LYS HD2 H 1 1.717 0.030 . 1 . . . . 88 LYS HD2 . 10319 1 1074 . 1 1 88 88 LYS HD3 H 1 1.717 0.030 . 1 . . . . 88 LYS HD3 . 10319 1 1075 . 1 1 88 88 LYS HE2 H 1 3.026 0.030 . 2 . . . . 88 LYS HE2 . 10319 1 1076 . 1 1 88 88 LYS HG2 H 1 1.624 0.030 . 2 . . . . 88 LYS HG2 . 10319 1 1077 . 1 1 88 88 LYS HG3 H 1 1.508 0.030 . 2 . . . . 88 LYS HG3 . 10319 1 1078 . 1 1 88 88 LYS C C 13 178.673 0.300 . 1 . . . . 88 LYS C . 10319 1 1079 . 1 1 88 88 LYS CA C 13 60.499 0.300 . 1 . . . . 88 LYS CA . 10319 1 1080 . 1 1 88 88 LYS CB C 13 32.927 0.300 . 1 . . . . 88 LYS CB . 10319 1 1081 . 1 1 88 88 LYS CD C 13 29.638 0.300 . 1 . . . . 88 LYS CD . 10319 1 1082 . 1 1 88 88 LYS CE C 13 41.961 0.300 . 1 . . . . 88 LYS CE . 10319 1 1083 . 1 1 88 88 LYS CG C 13 26.021 0.300 . 1 . . . . 88 LYS CG . 10319 1 1084 . 1 1 88 88 LYS N N 15 119.232 0.300 . 1 . . . . 88 LYS N . 10319 1 1085 . 1 1 89 89 LYS H H 1 8.282 0.030 . 1 . . . . 89 LYS H . 10319 1 1086 . 1 1 89 89 LYS HA H 1 4.105 0.030 . 1 . . . . 89 LYS HA . 10319 1 1087 . 1 1 89 89 LYS HB2 H 1 1.958 0.030 . 2 . . . . 89 LYS HB2 . 10319 1 1088 . 1 1 89 89 LYS HB3 H 1 1.866 0.030 . 2 . . . . 89 LYS HB3 . 10319 1 1089 . 1 1 89 89 LYS HD2 H 1 1.694 0.030 . 1 . . . . 89 LYS HD2 . 10319 1 1090 . 1 1 89 89 LYS HD3 H 1 1.694 0.030 . 1 . . . . 89 LYS HD3 . 10319 1 1091 . 1 1 89 89 LYS HE2 H 1 2.997 0.030 . 2 . . . . 89 LYS HE2 . 10319 1 1092 . 1 1 89 89 LYS HG2 H 1 1.469 0.030 . 2 . . . . 89 LYS HG2 . 10319 1 1093 . 1 1 89 89 LYS HG3 H 1 1.367 0.030 . 2 . . . . 89 LYS HG3 . 10319 1 1094 . 1 1 89 89 LYS C C 13 178.839 0.300 . 1 . . . . 89 LYS C . 10319 1 1095 . 1 1 89 89 LYS CA C 13 59.374 0.300 . 1 . . . . 89 LYS CA . 10319 1 1096 . 1 1 89 89 LYS CB C 13 31.899 0.300 . 1 . . . . 89 LYS CB . 10319 1 1097 . 1 1 89 89 LYS CD C 13 29.310 0.300 . 1 . . . . 89 LYS CD . 10319 1 1098 . 1 1 89 89 LYS CE C 13 42.134 0.300 . 1 . . . . 89 LYS CE . 10319 1 1099 . 1 1 89 89 LYS CG C 13 24.908 0.300 . 1 . . . . 89 LYS CG . 10319 1 1100 . 1 1 89 89 LYS N N 15 123.392 0.300 . 1 . . . . 89 LYS N . 10319 1 1101 . 1 1 90 90 LYS H H 1 8.866 0.030 . 1 . . . . 90 LYS H . 10319 1 1102 . 1 1 90 90 LYS HA H 1 4.109 0.030 . 1 . . . . 90 LYS HA . 10319 1 1103 . 1 1 90 90 LYS HB2 H 1 2.015 0.030 . 2 . . . . 90 LYS HB2 . 10319 1 1104 . 1 1 90 90 LYS HB3 H 1 1.886 0.030 . 2 . . . . 90 LYS HB3 . 10319 1 1105 . 1 1 90 90 LYS HD2 H 1 1.993 0.030 . 2 . . . . 90 LYS HD2 . 10319 1 1106 . 1 1 90 90 LYS HD3 H 1 1.841 0.030 . 2 . . . . 90 LYS HD3 . 10319 1 1107 . 1 1 90 90 LYS HE2 H 1 3.149 0.030 . 1 . . . . 90 LYS HE2 . 10319 1 1108 . 1 1 90 90 LYS HE3 H 1 3.149 0.030 . 1 . . . . 90 LYS HE3 . 10319 1 1109 . 1 1 90 90 LYS HG2 H 1 1.698 0.030 . 2 . . . . 90 LYS HG2 . 10319 1 1110 . 1 1 90 90 LYS HG3 H 1 1.841 0.030 . 2 . . . . 90 LYS HG3 . 10319 1 1111 . 1 1 90 90 LYS C C 13 179.034 0.300 . 1 . . . . 90 LYS C . 10319 1 1112 . 1 1 90 90 LYS CA C 13 59.092 0.300 . 1 . . . . 90 LYS CA . 10319 1 1113 . 1 1 90 90 LYS CB C 13 32.639 0.300 . 1 . . . . 90 LYS CB . 10319 1 1114 . 1 1 90 90 LYS CD C 13 28.965 0.300 . 1 . . . . 90 LYS CD . 10319 1 1115 . 1 1 90 90 LYS CE C 13 41.994 0.300 . 1 . . . . 90 LYS CE . 10319 1 1116 . 1 1 90 90 LYS CG C 13 25.630 0.300 . 1 . . . . 90 LYS CG . 10319 1 1117 . 1 1 90 90 LYS N N 15 120.995 0.300 . 1 . . . . 90 LYS N . 10319 1 1118 . 1 1 91 91 LYS H H 1 7.919 0.030 . 1 . . . . 91 LYS H . 10319 1 1119 . 1 1 91 91 LYS HA H 1 3.739 0.030 . 1 . . . . 91 LYS HA . 10319 1 1120 . 1 1 91 91 LYS HB2 H 1 2.027 0.030 . 2 . . . . 91 LYS HB2 . 10319 1 1121 . 1 1 91 91 LYS HB3 H 1 1.776 0.030 . 2 . . . . 91 LYS HB3 . 10319 1 1122 . 1 1 91 91 LYS HD2 H 1 1.417 0.030 . 2 . . . . 91 LYS HD2 . 10319 1 1123 . 1 1 91 91 LYS HD3 H 1 1.646 0.030 . 2 . . . . 91 LYS HD3 . 10319 1 1124 . 1 1 91 91 LYS HE2 H 1 3.087 0.030 . 2 . . . . 91 LYS HE2 . 10319 1 1125 . 1 1 91 91 LYS HE3 H 1 2.839 0.030 . 2 . . . . 91 LYS HE3 . 10319 1 1126 . 1 1 91 91 LYS HG2 H 1 1.069 0.030 . 2 . . . . 91 LYS HG2 . 10319 1 1127 . 1 1 91 91 LYS HG3 H 1 1.159 0.030 . 2 . . . . 91 LYS HG3 . 10319 1 1128 . 1 1 91 91 LYS C C 13 176.197 0.300 . 1 . . . . 91 LYS C . 10319 1 1129 . 1 1 91 91 LYS CA C 13 59.902 0.300 . 1 . . . . 91 LYS CA . 10319 1 1130 . 1 1 91 91 LYS CB C 13 32.598 0.300 . 1 . . . . 91 LYS CB . 10319 1 1131 . 1 1 91 91 LYS CD C 13 29.973 0.300 . 1 . . . . 91 LYS CD . 10319 1 1132 . 1 1 91 91 LYS CE C 13 43.202 0.300 . 1 . . . . 91 LYS CE . 10319 1 1133 . 1 1 91 91 LYS CG C 13 24.906 0.300 . 1 . . . . 91 LYS CG . 10319 1 1134 . 1 1 91 91 LYS N N 15 118.334 0.300 . 1 . . . . 91 LYS N . 10319 1 1135 . 1 1 92 92 GLN H H 1 7.844 0.030 . 1 . . . . 92 GLN H . 10319 1 1136 . 1 1 92 92 GLN HA H 1 3.837 0.030 . 1 . . . . 92 GLN HA . 10319 1 1137 . 1 1 92 92 GLN HB2 H 1 2.188 0.030 . 1 . . . . 92 GLN HB2 . 10319 1 1138 . 1 1 92 92 GLN HB3 H 1 2.188 0.030 . 1 . . . . 92 GLN HB3 . 10319 1 1139 . 1 1 92 92 GLN HE21 H 1 7.467 0.030 . 2 . . . . 92 GLN HE21 . 10319 1 1140 . 1 1 92 92 GLN HE22 H 1 6.827 0.030 . 2 . . . . 92 GLN HE22 . 10319 1 1141 . 1 1 92 92 GLN HG2 H 1 2.458 0.030 . 2 . . . . 92 GLN HG2 . 10319 1 1142 . 1 1 92 92 GLN HG3 H 1 2.408 0.030 . 2 . . . . 92 GLN HG3 . 10319 1 1143 . 1 1 92 92 GLN C C 13 178.536 0.300 . 1 . . . . 92 GLN C . 10319 1 1144 . 1 1 92 92 GLN CA C 13 58.899 0.300 . 1 . . . . 92 GLN CA . 10319 1 1145 . 1 1 92 92 GLN CB C 13 27.912 0.300 . 1 . . . . 92 GLN CB . 10319 1 1146 . 1 1 92 92 GLN CG C 13 33.584 0.300 . 1 . . . . 92 GLN CG . 10319 1 1147 . 1 1 92 92 GLN N N 15 117.734 0.300 . 1 . . . . 92 GLN N . 10319 1 1148 . 1 1 92 92 GLN NE2 N 15 111.489 0.300 . 1 . . . . 92 GLN NE2 . 10319 1 1149 . 1 1 93 93 GLU H H 1 8.498 0.030 . 1 . . . . 93 GLU H . 10319 1 1150 . 1 1 93 93 GLU HA H 1 3.898 0.030 . 1 . . . . 93 GLU HA . 10319 1 1151 . 1 1 93 93 GLU HB2 H 1 2.197 0.030 . 2 . . . . 93 GLU HB2 . 10319 1 1152 . 1 1 93 93 GLU HB3 H 1 1.626 0.030 . 2 . . . . 93 GLU HB3 . 10319 1 1153 . 1 1 93 93 GLU HG2 H 1 2.127 0.030 . 2 . . . . 93 GLU HG2 . 10319 1 1154 . 1 1 93 93 GLU HG3 H 1 2.577 0.030 . 2 . . . . 93 GLU HG3 . 10319 1 1155 . 1 1 93 93 GLU C C 13 180.831 0.300 . 1 . . . . 93 GLU C . 10319 1 1156 . 1 1 93 93 GLU CA C 13 59.039 0.300 . 1 . . . . 93 GLU CA . 10319 1 1157 . 1 1 93 93 GLU CB C 13 30.522 0.300 . 1 . . . . 93 GLU CB . 10319 1 1158 . 1 1 93 93 GLU CG C 13 36.195 0.300 . 1 . . . . 93 GLU CG . 10319 1 1159 . 1 1 93 93 GLU N N 15 118.276 0.300 . 1 . . . . 93 GLU N . 10319 1 1160 . 1 1 94 94 TRP H H 1 8.509 0.030 . 1 . . . . 94 TRP H . 10319 1 1161 . 1 1 94 94 TRP HA H 1 3.817 0.030 . 1 . . . . 94 TRP HA . 10319 1 1162 . 1 1 94 94 TRP HB2 H 1 2.895 0.030 . 2 . . . . 94 TRP HB2 . 10319 1 1163 . 1 1 94 94 TRP HB3 H 1 2.709 0.030 . 2 . . . . 94 TRP HB3 . 10319 1 1164 . 1 1 94 94 TRP HD1 H 1 7.266 0.030 . 1 . . . . 94 TRP HD1 . 10319 1 1165 . 1 1 94 94 TRP HE1 H 1 10.569 0.030 . 1 . . . . 94 TRP HE1 . 10319 1 1166 . 1 1 94 94 TRP HE3 H 1 7.292 0.030 . 1 . . . . 94 TRP HE3 . 10319 1 1167 . 1 1 94 94 TRP HH2 H 1 6.674 0.030 . 1 . . . . 94 TRP HH2 . 10319 1 1168 . 1 1 94 94 TRP HZ2 H 1 6.748 0.030 . 1 . . . . 94 TRP HZ2 . 10319 1 1169 . 1 1 94 94 TRP HZ3 H 1 6.726 0.030 . 1 . . . . 94 TRP HZ3 . 10319 1 1170 . 1 1 94 94 TRP C C 13 178.196 0.300 . 1 . . . . 94 TRP C . 10319 1 1171 . 1 1 94 94 TRP CA C 13 62.707 0.300 . 1 . . . . 94 TRP CA . 10319 1 1172 . 1 1 94 94 TRP CB C 13 28.940 0.300 . 1 . . . . 94 TRP CB . 10319 1 1173 . 1 1 94 94 TRP CD1 C 13 128.083 0.300 . 1 . . . . 94 TRP CD1 . 10319 1 1174 . 1 1 94 94 TRP CE3 C 13 118.524 0.300 . 1 . . . . 94 TRP CE3 . 10319 1 1175 . 1 1 94 94 TRP CH2 C 13 123.522 0.300 . 1 . . . . 94 TRP CH2 . 10319 1 1176 . 1 1 94 94 TRP CZ2 C 13 113.974 0.300 . 1 . . . . 94 TRP CZ2 . 10319 1 1177 . 1 1 94 94 TRP CZ3 C 13 120.267 0.300 . 1 . . . . 94 TRP CZ3 . 10319 1 1178 . 1 1 94 94 TRP N N 15 121.400 0.300 . 1 . . . . 94 TRP N . 10319 1 1179 . 1 1 94 94 TRP NE1 N 15 130.660 0.300 . 1 . . . . 94 TRP NE1 . 10319 1 1180 . 1 1 95 95 ILE H H 1 8.305 0.030 . 1 . . . . 95 ILE H . 10319 1 1181 . 1 1 95 95 ILE HA H 1 3.232 0.030 . 1 . . . . 95 ILE HA . 10319 1 1182 . 1 1 95 95 ILE HB H 1 1.578 0.030 . 1 . . . . 95 ILE HB . 10319 1 1183 . 1 1 95 95 ILE HD11 H 1 0.637 0.030 . 1 . . . . 95 ILE HD1 . 10319 1 1184 . 1 1 95 95 ILE HD12 H 1 0.637 0.030 . 1 . . . . 95 ILE HD1 . 10319 1 1185 . 1 1 95 95 ILE HD13 H 1 0.637 0.030 . 1 . . . . 95 ILE HD1 . 10319 1 1186 . 1 1 95 95 ILE HG12 H 1 0.256 0.030 . 2 . . . . 95 ILE HG12 . 10319 1 1187 . 1 1 95 95 ILE HG13 H 1 1.108 0.030 . 2 . . . . 95 ILE HG13 . 10319 1 1188 . 1 1 95 95 ILE HG21 H 1 0.706 0.030 . 1 . . . . 95 ILE HG2 . 10319 1 1189 . 1 1 95 95 ILE HG22 H 1 0.706 0.030 . 1 . . . . 95 ILE HG2 . 10319 1 1190 . 1 1 95 95 ILE HG23 H 1 0.706 0.030 . 1 . . . . 95 ILE HG2 . 10319 1 1191 . 1 1 95 95 ILE C C 13 177.652 0.300 . 1 . . . . 95 ILE C . 10319 1 1192 . 1 1 95 95 ILE CA C 13 66.780 0.300 . 1 . . . . 95 ILE CA . 10319 1 1193 . 1 1 95 95 ILE CB C 13 37.621 0.300 . 1 . . . . 95 ILE CB . 10319 1 1194 . 1 1 95 95 ILE CD1 C 13 14.754 0.300 . 1 . . . . 95 ILE CD1 . 10319 1 1195 . 1 1 95 95 ILE CG1 C 13 28.919 0.300 . 1 . . . . 95 ILE CG1 . 10319 1 1196 . 1 1 95 95 ILE CG2 C 13 16.320 0.300 . 1 . . . . 95 ILE CG2 . 10319 1 1197 . 1 1 95 95 ILE N N 15 119.269 0.300 . 1 . . . . 95 ILE N . 10319 1 1198 . 1 1 96 96 GLN H H 1 8.097 0.030 . 1 . . . . 96 GLN H . 10319 1 1199 . 1 1 96 96 GLN HA H 1 4.008 0.030 . 1 . . . . 96 GLN HA . 10319 1 1200 . 1 1 96 96 GLN HB2 H 1 2.077 0.030 . 2 . . . . 96 GLN HB2 . 10319 1 1201 . 1 1 96 96 GLN HB3 H 1 1.998 0.030 . 2 . . . . 96 GLN HB3 . 10319 1 1202 . 1 1 96 96 GLN HE21 H 1 7.395 0.030 . 2 . . . . 96 GLN HE21 . 10319 1 1203 . 1 1 96 96 GLN HE22 H 1 6.829 0.030 . 2 . . . . 96 GLN HE22 . 10319 1 1204 . 1 1 96 96 GLN HG2 H 1 2.439 0.030 . 2 . . . . 96 GLN HG2 . 10319 1 1205 . 1 1 96 96 GLN HG3 H 1 2.357 0.030 . 2 . . . . 96 GLN HG3 . 10319 1 1206 . 1 1 96 96 GLN C C 13 178.951 0.300 . 1 . . . . 96 GLN C . 10319 1 1207 . 1 1 96 96 GLN CA C 13 58.969 0.300 . 1 . . . . 96 GLN CA . 10319 1 1208 . 1 1 96 96 GLN CB C 13 28.117 0.300 . 1 . . . . 96 GLN CB . 10319 1 1209 . 1 1 96 96 GLN CG C 13 33.995 0.300 . 1 . . . . 96 GLN CG . 10319 1 1210 . 1 1 96 96 GLN N N 15 116.735 0.300 . 1 . . . . 96 GLN N . 10319 1 1211 . 1 1 96 96 GLN NE2 N 15 111.834 0.300 . 1 . . . . 96 GLN NE2 . 10319 1 1212 . 1 1 97 97 ALA H H 1 8.034 0.030 . 1 . . . . 97 ALA H . 10319 1 1213 . 1 1 97 97 ALA HA H 1 4.090 0.030 . 1 . . . . 97 ALA HA . 10319 1 1214 . 1 1 97 97 ALA HB1 H 1 1.116 0.030 . 1 . . . . 97 ALA HB . 10319 1 1215 . 1 1 97 97 ALA HB2 H 1 1.116 0.030 . 1 . . . . 97 ALA HB . 10319 1 1216 . 1 1 97 97 ALA HB3 H 1 1.116 0.030 . 1 . . . . 97 ALA HB . 10319 1 1217 . 1 1 97 97 ALA C C 13 180.733 0.300 . 1 . . . . 97 ALA C . 10319 1 1218 . 1 1 97 97 ALA CA C 13 55.036 0.300 . 1 . . . . 97 ALA CA . 10319 1 1219 . 1 1 97 97 ALA CB C 13 18.376 0.300 . 1 . . . . 97 ALA CB . 10319 1 1220 . 1 1 97 97 ALA N N 15 121.771 0.300 . 1 . . . . 97 ALA N . 10319 1 1221 . 1 1 98 98 ILE H H 1 8.849 0.030 . 1 . . . . 98 ILE H . 10319 1 1222 . 1 1 98 98 ILE HA H 1 3.557 0.030 . 1 . . . . 98 ILE HA . 10319 1 1223 . 1 1 98 98 ILE HB H 1 1.892 0.030 . 1 . . . . 98 ILE HB . 10319 1 1224 . 1 1 98 98 ILE HD11 H 1 1.023 0.030 . 1 . . . . 98 ILE HD1 . 10319 1 1225 . 1 1 98 98 ILE HD12 H 1 1.023 0.030 . 1 . . . . 98 ILE HD1 . 10319 1 1226 . 1 1 98 98 ILE HD13 H 1 1.023 0.030 . 1 . . . . 98 ILE HD1 . 10319 1 1227 . 1 1 98 98 ILE HG12 H 1 1.014 0.030 . 2 . . . . 98 ILE HG12 . 10319 1 1228 . 1 1 98 98 ILE HG13 H 1 2.327 0.030 . 2 . . . . 98 ILE HG13 . 10319 1 1229 . 1 1 98 98 ILE HG21 H 1 0.917 0.030 . 1 . . . . 98 ILE HG2 . 10319 1 1230 . 1 1 98 98 ILE HG22 H 1 0.917 0.030 . 1 . . . . 98 ILE HG2 . 10319 1 1231 . 1 1 98 98 ILE HG23 H 1 0.917 0.030 . 1 . . . . 98 ILE HG2 . 10319 1 1232 . 1 1 98 98 ILE C C 13 177.392 0.300 . 1 . . . . 98 ILE C . 10319 1 1233 . 1 1 98 98 ILE CA C 13 66.303 0.300 . 1 . . . . 98 ILE CA . 10319 1 1234 . 1 1 98 98 ILE CB C 13 38.536 0.300 . 1 . . . . 98 ILE CB . 10319 1 1235 . 1 1 98 98 ILE CD1 C 13 14.547 0.300 . 1 . . . . 98 ILE CD1 . 10319 1 1236 . 1 1 98 98 ILE CG1 C 13 30.611 0.300 . 1 . . . . 98 ILE CG1 . 10319 1 1237 . 1 1 98 98 ILE CG2 C 13 17.962 0.300 . 1 . . . . 98 ILE CG2 . 10319 1 1238 . 1 1 98 98 ILE N N 15 120.657 0.300 . 1 . . . . 98 ILE N . 10319 1 1239 . 1 1 99 99 HIS H H 1 9.269 0.030 . 1 . . . . 99 HIS H . 10319 1 1240 . 1 1 99 99 HIS HA H 1 4.028 0.030 . 1 . . . . 99 HIS HA . 10319 1 1241 . 1 1 99 99 HIS HB2 H 1 3.140 0.030 . 1 . . . . 99 HIS HB2 . 10319 1 1242 . 1 1 99 99 HIS HB3 H 1 3.140 0.030 . 1 . . . . 99 HIS HB3 . 10319 1 1243 . 1 1 99 99 HIS HD2 H 1 6.946 0.030 . 1 . . . . 99 HIS HD2 . 10319 1 1244 . 1 1 99 99 HIS HE1 H 1 7.701 0.030 . 1 . . . . 99 HIS HE1 . 10319 1 1245 . 1 1 99 99 HIS C C 13 178.474 0.300 . 1 . . . . 99 HIS C . 10319 1 1246 . 1 1 99 99 HIS CA C 13 61.484 0.300 . 1 . . . . 99 HIS CA . 10319 1 1247 . 1 1 99 99 HIS CB C 13 31.187 0.300 . 1 . . . . 99 HIS CB . 10319 1 1248 . 1 1 99 99 HIS CD2 C 13 118.818 0.300 . 1 . . . . 99 HIS CD2 . 10319 1 1249 . 1 1 99 99 HIS CE1 C 13 138.942 0.300 . 1 . . . . 99 HIS CE1 . 10319 1 1250 . 1 1 99 99 HIS N N 15 121.187 0.300 . 1 . . . . 99 HIS N . 10319 1 1251 . 1 1 100 100 SER H H 1 8.487 0.030 . 1 . . . . 100 SER H . 10319 1 1252 . 1 1 100 100 SER HA H 1 4.209 0.030 . 1 . . . . 100 SER HA . 10319 1 1253 . 1 1 100 100 SER HB2 H 1 4.045 0.030 . 1 . . . . 100 SER HB2 . 10319 1 1254 . 1 1 100 100 SER HB3 H 1 4.045 0.030 . 1 . . . . 100 SER HB3 . 10319 1 1255 . 1 1 100 100 SER C C 13 176.205 0.300 . 1 . . . . 100 SER C . 10319 1 1256 . 1 1 100 100 SER CA C 13 61.913 0.300 . 1 . . . . 100 SER CA . 10319 1 1257 . 1 1 100 100 SER CB C 13 62.855 0.300 . 1 . . . . 100 SER CB . 10319 1 1258 . 1 1 100 100 SER N N 15 113.810 0.300 . 1 . . . . 100 SER N . 10319 1 1259 . 1 1 101 101 THR H H 1 7.688 0.030 . 1 . . . . 101 THR H . 10319 1 1260 . 1 1 101 101 THR HA H 1 3.969 0.030 . 1 . . . . 101 THR HA . 10319 1 1261 . 1 1 101 101 THR HB H 1 4.288 0.030 . 1 . . . . 101 THR HB . 10319 1 1262 . 1 1 101 101 THR HG21 H 1 1.217 0.030 . 1 . . . . 101 THR HG2 . 10319 1 1263 . 1 1 101 101 THR HG22 H 1 1.217 0.030 . 1 . . . . 101 THR HG2 . 10319 1 1264 . 1 1 101 101 THR HG23 H 1 1.217 0.030 . 1 . . . . 101 THR HG2 . 10319 1 1265 . 1 1 101 101 THR C C 13 177.267 0.300 . 1 . . . . 101 THR C . 10319 1 1266 . 1 1 101 101 THR CA C 13 67.393 0.300 . 1 . . . . 101 THR CA . 10319 1 1267 . 1 1 101 101 THR CB C 13 68.601 0.300 . 1 . . . . 101 THR CB . 10319 1 1268 . 1 1 101 101 THR CG2 C 13 22.807 0.300 . 1 . . . . 101 THR CG2 . 10319 1 1269 . 1 1 101 101 THR N N 15 119.355 0.300 . 1 . . . . 101 THR N . 10319 1 1270 . 1 1 102 102 ILE H H 1 8.233 0.030 . 1 . . . . 102 ILE H . 10319 1 1271 . 1 1 102 102 ILE HA H 1 3.465 0.030 . 1 . . . . 102 ILE HA . 10319 1 1272 . 1 1 102 102 ILE HB H 1 1.742 0.030 . 1 . . . . 102 ILE HB . 10319 1 1273 . 1 1 102 102 ILE HD11 H 1 0.657 0.030 . 1 . . . . 102 ILE HD1 . 10319 1 1274 . 1 1 102 102 ILE HD12 H 1 0.657 0.030 . 1 . . . . 102 ILE HD1 . 10319 1 1275 . 1 1 102 102 ILE HD13 H 1 0.657 0.030 . 1 . . . . 102 ILE HD1 . 10319 1 1276 . 1 1 102 102 ILE HG12 H 1 0.795 0.030 . 2 . . . . 102 ILE HG12 . 10319 1 1277 . 1 1 102 102 ILE HG13 H 1 1.808 0.030 . 2 . . . . 102 ILE HG13 . 10319 1 1278 . 1 1 102 102 ILE HG21 H 1 0.908 0.030 . 1 . . . . 102 ILE HG2 . 10319 1 1279 . 1 1 102 102 ILE HG22 H 1 0.908 0.030 . 1 . . . . 102 ILE HG2 . 10319 1 1280 . 1 1 102 102 ILE HG23 H 1 0.908 0.030 . 1 . . . . 102 ILE HG2 . 10319 1 1281 . 1 1 102 102 ILE C C 13 177.713 0.300 . 1 . . . . 102 ILE C . 10319 1 1282 . 1 1 102 102 ILE CA C 13 65.748 0.300 . 1 . . . . 102 ILE CA . 10319 1 1283 . 1 1 102 102 ILE CB C 13 38.434 0.300 . 1 . . . . 102 ILE CB . 10319 1 1284 . 1 1 102 102 ILE CD1 C 13 14.512 0.300 . 1 . . . . 102 ILE CD1 . 10319 1 1285 . 1 1 102 102 ILE CG1 C 13 29.587 0.300 . 1 . . . . 102 ILE CG1 . 10319 1 1286 . 1 1 102 102 ILE CG2 C 13 17.649 0.300 . 1 . . . . 102 ILE CG2 . 10319 1 1287 . 1 1 102 102 ILE N N 15 123.048 0.300 . 1 . . . . 102 ILE N . 10319 1 1288 . 1 1 103 103 HIS H H 1 8.361 0.030 . 1 . . . . 103 HIS H . 10319 1 1289 . 1 1 103 103 HIS HA H 1 4.093 0.030 . 1 . . . . 103 HIS HA . 10319 1 1290 . 1 1 103 103 HIS HB2 H 1 3.232 0.030 . 2 . . . . 103 HIS HB2 . 10319 1 1291 . 1 1 103 103 HIS HB3 H 1 2.869 0.030 . 2 . . . . 103 HIS HB3 . 10319 1 1292 . 1 1 103 103 HIS HD2 H 1 6.889 0.030 . 1 . . . . 103 HIS HD2 . 10319 1 1293 . 1 1 103 103 HIS HE1 H 1 7.778 0.030 . 1 . . . . 103 HIS HE1 . 10319 1 1294 . 1 1 103 103 HIS C C 13 177.612 0.300 . 1 . . . . 103 HIS C . 10319 1 1295 . 1 1 103 103 HIS CA C 13 60.235 0.300 . 1 . . . . 103 HIS CA . 10319 1 1296 . 1 1 103 103 HIS CB C 13 30.173 0.300 . 1 . . . . 103 HIS CB . 10319 1 1297 . 1 1 103 103 HIS CD2 C 13 119.283 0.300 . 1 . . . . 103 HIS CD2 . 10319 1 1298 . 1 1 103 103 HIS CE1 C 13 138.228 0.300 . 1 . . . . 103 HIS CE1 . 10319 1 1299 . 1 1 103 103 HIS N N 15 119.976 0.300 . 1 . . . . 103 HIS N . 10319 1 1300 . 1 1 104 104 LEU H H 1 7.707 0.030 . 1 . . . . 104 LEU H . 10319 1 1301 . 1 1 104 104 LEU HA H 1 3.996 0.030 . 1 . . . . 104 LEU HA . 10319 1 1302 . 1 1 104 104 LEU HB2 H 1 1.847 0.030 . 2 . . . . 104 LEU HB2 . 10319 1 1303 . 1 1 104 104 LEU HB3 H 1 1.556 0.030 . 2 . . . . 104 LEU HB3 . 10319 1 1304 . 1 1 104 104 LEU HD11 H 1 0.948 0.030 . 1 . . . . 104 LEU HD1 . 10319 1 1305 . 1 1 104 104 LEU HD12 H 1 0.948 0.030 . 1 . . . . 104 LEU HD1 . 10319 1 1306 . 1 1 104 104 LEU HD13 H 1 0.948 0.030 . 1 . . . . 104 LEU HD1 . 10319 1 1307 . 1 1 104 104 LEU HD21 H 1 0.907 0.030 . 1 . . . . 104 LEU HD2 . 10319 1 1308 . 1 1 104 104 LEU HD22 H 1 0.907 0.030 . 1 . . . . 104 LEU HD2 . 10319 1 1309 . 1 1 104 104 LEU HD23 H 1 0.907 0.030 . 1 . . . . 104 LEU HD2 . 10319 1 1310 . 1 1 104 104 LEU HG H 1 1.875 0.030 . 1 . . . . 104 LEU HG . 10319 1 1311 . 1 1 104 104 LEU C C 13 180.347 0.300 . 1 . . . . 104 LEU C . 10319 1 1312 . 1 1 104 104 LEU CA C 13 57.826 0.300 . 1 . . . . 104 LEU CA . 10319 1 1313 . 1 1 104 104 LEU CB C 13 41.558 0.300 . 1 . . . . 104 LEU CB . 10319 1 1314 . 1 1 104 104 LEU CD1 C 13 25.117 0.300 . 2 . . . . 104 LEU CD1 . 10319 1 1315 . 1 1 104 104 LEU CD2 C 13 23.309 0.300 . 2 . . . . 104 LEU CD2 . 10319 1 1316 . 1 1 104 104 LEU CG C 13 27.356 0.300 . 1 . . . . 104 LEU CG . 10319 1 1317 . 1 1 104 104 LEU N N 15 117.624 0.300 . 1 . . . . 104 LEU N . 10319 1 1318 . 1 1 105 105 LEU H H 1 7.607 0.030 . 1 . . . . 105 LEU H . 10319 1 1319 . 1 1 105 105 LEU HA H 1 4.167 0.030 . 1 . . . . 105 LEU HA . 10319 1 1320 . 1 1 105 105 LEU HB2 H 1 2.061 0.030 . 2 . . . . 105 LEU HB2 . 10319 1 1321 . 1 1 105 105 LEU HB3 H 1 1.417 0.030 . 2 . . . . 105 LEU HB3 . 10319 1 1322 . 1 1 105 105 LEU HD11 H 1 0.725 0.030 . 1 . . . . 105 LEU HD1 . 10319 1 1323 . 1 1 105 105 LEU HD12 H 1 0.725 0.030 . 1 . . . . 105 LEU HD1 . 10319 1 1324 . 1 1 105 105 LEU HD13 H 1 0.725 0.030 . 1 . . . . 105 LEU HD1 . 10319 1 1325 . 1 1 105 105 LEU HD21 H 1 0.859 0.030 . 1 . . . . 105 LEU HD2 . 10319 1 1326 . 1 1 105 105 LEU HD22 H 1 0.859 0.030 . 1 . . . . 105 LEU HD2 . 10319 1 1327 . 1 1 105 105 LEU HD23 H 1 0.859 0.030 . 1 . . . . 105 LEU HD2 . 10319 1 1328 . 1 1 105 105 LEU HG H 1 1.965 0.030 . 1 . . . . 105 LEU HG . 10319 1 1329 . 1 1 105 105 LEU C C 13 179.747 0.300 . 1 . . . . 105 LEU C . 10319 1 1330 . 1 1 105 105 LEU CA C 13 57.299 0.300 . 1 . . . . 105 LEU CA . 10319 1 1331 . 1 1 105 105 LEU CB C 13 40.736 0.300 . 1 . . . . 105 LEU CB . 10319 1 1332 . 1 1 105 105 LEU CD1 C 13 26.021 0.300 . 2 . . . . 105 LEU CD1 . 10319 1 1333 . 1 1 105 105 LEU CD2 C 13 22.322 0.300 . 2 . . . . 105 LEU CD2 . 10319 1 1334 . 1 1 105 105 LEU CG C 13 26.152 0.300 . 1 . . . . 105 LEU CG . 10319 1 1335 . 1 1 105 105 LEU N N 15 120.458 0.300 . 1 . . . . 105 LEU N . 10319 1 1336 . 1 1 106 106 LYS H H 1 8.032 0.030 . 1 . . . . 106 LYS H . 10319 1 1337 . 1 1 106 106 LYS HA H 1 4.030 0.030 . 1 . . . . 106 LYS HA . 10319 1 1338 . 1 1 106 106 LYS HB2 H 1 1.916 0.030 . 1 . . . . 106 LYS HB2 . 10319 1 1339 . 1 1 106 106 LYS HB3 H 1 1.916 0.030 . 1 . . . . 106 LYS HB3 . 10319 1 1340 . 1 1 106 106 LYS HD2 H 1 1.677 0.030 . 1 . . . . 106 LYS HD2 . 10319 1 1341 . 1 1 106 106 LYS HD3 H 1 1.677 0.030 . 1 . . . . 106 LYS HD3 . 10319 1 1342 . 1 1 106 106 LYS HE2 H 1 2.987 0.030 . 1 . . . . 106 LYS HE2 . 10319 1 1343 . 1 1 106 106 LYS HE3 H 1 2.987 0.030 . 1 . . . . 106 LYS HE3 . 10319 1 1344 . 1 1 106 106 LYS HG2 H 1 1.509 0.030 . 2 . . . . 106 LYS HG2 . 10319 1 1345 . 1 1 106 106 LYS HG3 H 1 1.597 0.030 . 2 . . . . 106 LYS HG3 . 10319 1 1346 . 1 1 106 106 LYS C C 13 178.768 0.300 . 1 . . . . 106 LYS C . 10319 1 1347 . 1 1 106 106 LYS CA C 13 58.934 0.300 . 1 . . . . 106 LYS CA . 10319 1 1348 . 1 1 106 106 LYS CB C 13 32.392 0.300 . 1 . . . . 106 LYS CB . 10319 1 1349 . 1 1 106 106 LYS CD C 13 29.556 0.300 . 1 . . . . 106 LYS CD . 10319 1 1350 . 1 1 106 106 LYS CE C 13 42.271 0.300 . 1 . . . . 106 LYS CE . 10319 1 1351 . 1 1 106 106 LYS CG C 13 25.610 0.300 . 1 . . . . 106 LYS CG . 10319 1 1352 . 1 1 106 106 LYS N N 15 120.414 0.300 . 1 . . . . 106 LYS N . 10319 1 1353 . 1 1 107 107 LEU H H 1 7.989 0.030 . 1 . . . . 107 LEU H . 10319 1 1354 . 1 1 107 107 LEU HA H 1 4.097 0.030 . 1 . . . . 107 LEU HA . 10319 1 1355 . 1 1 107 107 LEU HB2 H 1 1.690 0.030 . 2 . . . . 107 LEU HB2 . 10319 1 1356 . 1 1 107 107 LEU HB3 H 1 1.537 0.030 . 2 . . . . 107 LEU HB3 . 10319 1 1357 . 1 1 107 107 LEU HD11 H 1 0.787 0.030 . 1 . . . . 107 LEU HD1 . 10319 1 1358 . 1 1 107 107 LEU HD12 H 1 0.787 0.030 . 1 . . . . 107 LEU HD1 . 10319 1 1359 . 1 1 107 107 LEU HD13 H 1 0.787 0.030 . 1 . . . . 107 LEU HD1 . 10319 1 1360 . 1 1 107 107 LEU HD21 H 1 0.777 0.030 . 1 . . . . 107 LEU HD2 . 10319 1 1361 . 1 1 107 107 LEU HD22 H 1 0.777 0.030 . 1 . . . . 107 LEU HD2 . 10319 1 1362 . 1 1 107 107 LEU HD23 H 1 0.777 0.030 . 1 . . . . 107 LEU HD2 . 10319 1 1363 . 1 1 107 107 LEU HG H 1 1.527 0.030 . 1 . . . . 107 LEU HG . 10319 1 1364 . 1 1 107 107 LEU C C 13 179.013 0.300 . 1 . . . . 107 LEU C . 10319 1 1365 . 1 1 107 107 LEU CA C 13 56.595 0.300 . 1 . . . . 107 LEU CA . 10319 1 1366 . 1 1 107 107 LEU CB C 13 42.011 0.300 . 1 . . . . 107 LEU CB . 10319 1 1367 . 1 1 107 107 LEU CD1 C 13 25.035 0.300 . 2 . . . . 107 LEU CD1 . 10319 1 1368 . 1 1 107 107 LEU CD2 C 13 22.905 0.300 . 2 . . . . 107 LEU CD2 . 10319 1 1369 . 1 1 107 107 LEU CG C 13 26.541 0.300 . 1 . . . . 107 LEU CG . 10319 1 1370 . 1 1 107 107 LEU N N 15 120.057 0.300 . 1 . . . . 107 LEU N . 10319 1 1371 . 1 1 108 108 GLY H H 1 7.926 0.030 . 1 . . . . 108 GLY H . 10319 1 1372 . 1 1 108 108 GLY HA2 H 1 3.996 0.030 . 2 . . . . 108 GLY HA2 . 10319 1 1373 . 1 1 108 108 GLY HA3 H 1 3.907 0.030 . 2 . . . . 108 GLY HA3 . 10319 1 1374 . 1 1 108 108 GLY C C 13 174.556 0.300 . 1 . . . . 108 GLY C . 10319 1 1375 . 1 1 108 108 GLY CA C 13 45.744 0.300 . 1 . . . . 108 GLY CA . 10319 1 1376 . 1 1 108 108 GLY N N 15 106.613 0.300 . 1 . . . . 108 GLY N . 10319 1 1377 . 1 1 109 109 SER H H 1 7.896 0.030 . 1 . . . . 109 SER H . 10319 1 1378 . 1 1 109 109 SER HA H 1 4.505 0.030 . 1 . . . . 109 SER HA . 10319 1 1379 . 1 1 109 109 SER HB2 H 1 3.934 0.030 . 2 . . . . 109 SER HB2 . 10319 1 1380 . 1 1 109 109 SER HB3 H 1 3.875 0.030 . 2 . . . . 109 SER HB3 . 10319 1 1381 . 1 1 109 109 SER C C 13 174.753 0.300 . 1 . . . . 109 SER C . 10319 1 1382 . 1 1 109 109 SER CA C 13 58.419 0.300 . 1 . . . . 109 SER CA . 10319 1 1383 . 1 1 109 109 SER CB C 13 63.877 0.300 . 1 . . . . 109 SER CB . 10319 1 1384 . 1 1 109 109 SER N N 15 115.290 0.300 . 1 . . . . 109 SER N . 10319 1 1385 . 1 1 110 110 SER H H 1 8.277 0.030 . 1 . . . . 110 SER H . 10319 1 1386 . 1 1 110 110 SER HA H 1 4.537 0.030 . 1 . . . . 110 SER HA . 10319 1 1387 . 1 1 110 110 SER HB2 H 1 3.925 0.030 . 1 . . . . 110 SER HB2 . 10319 1 1388 . 1 1 110 110 SER HB3 H 1 3.925 0.030 . 1 . . . . 110 SER HB3 . 10319 1 1389 . 1 1 110 110 SER CA C 13 58.739 0.300 . 1 . . . . 110 SER CA . 10319 1 1390 . 1 1 110 110 SER CB C 13 64.000 0.300 . 1 . . . . 110 SER CB . 10319 1 1391 . 1 1 110 110 SER N N 15 117.409 0.300 . 1 . . . . 110 SER N . 10319 1 1392 . 1 1 111 111 GLY H H 1 8.214 0.030 . 1 . . . . 111 GLY H . 10319 1 1393 . 1 1 111 111 GLY HA2 H 1 4.117 0.030 . 1 . . . . 111 GLY HA2 . 10319 1 1394 . 1 1 111 111 GLY HA3 H 1 4.117 0.030 . 1 . . . . 111 GLY HA3 . 10319 1 1395 . 1 1 111 111 GLY CA C 13 44.831 0.300 . 1 . . . . 111 GLY CA . 10319 1 1396 . 1 1 111 111 GLY N N 15 110.581 0.300 . 1 . . . . 111 GLY N . 10319 1 1397 . 1 1 112 112 PRO HA H 1 4.468 0.030 . 1 . . . . 112 PRO HA . 10319 1 1398 . 1 1 112 112 PRO HB2 H 1 2.280 0.030 . 2 . . . . 112 PRO HB2 . 10319 1 1399 . 1 1 112 112 PRO HB3 H 1 1.970 0.030 . 2 . . . . 112 PRO HB3 . 10319 1 1400 . 1 1 112 112 PRO HD2 H 1 3.627 0.030 . 1 . . . . 112 PRO HD2 . 10319 1 1401 . 1 1 112 112 PRO HD3 H 1 3.627 0.030 . 1 . . . . 112 PRO HD3 . 10319 1 1402 . 1 1 112 112 PRO HG2 H 1 2.006 0.030 . 1 . . . . 112 PRO HG2 . 10319 1 1403 . 1 1 112 112 PRO HG3 H 1 2.006 0.030 . 1 . . . . 112 PRO HG3 . 10319 1 1404 . 1 1 112 112 PRO C C 13 177.393 0.300 . 1 . . . . 112 PRO C . 10319 1 1405 . 1 1 112 112 PRO CA C 13 63.225 0.300 . 1 . . . . 112 PRO CA . 10319 1 1406 . 1 1 112 112 PRO CB C 13 32.105 0.300 . 1 . . . . 112 PRO CB . 10319 1 1407 . 1 1 112 112 PRO CD C 13 49.871 0.300 . 1 . . . . 112 PRO CD . 10319 1 1408 . 1 1 112 112 PRO CG C 13 27.164 0.300 . 1 . . . . 112 PRO CG . 10319 1 1409 . 1 1 113 113 SER H H 1 8.520 0.030 . 1 . . . . 113 SER H . 10319 1 1410 . 1 1 113 113 SER C C 13 174.738 0.300 . 1 . . . . 113 SER C . 10319 1 1411 . 1 1 113 113 SER CA C 13 58.371 0.300 . 1 . . . . 113 SER CA . 10319 1 1412 . 1 1 113 113 SER CB C 13 64.083 0.300 . 1 . . . . 113 SER CB . 10319 1 1413 . 1 1 113 113 SER N N 15 116.361 0.300 . 1 . . . . 113 SER N . 10319 1 1414 . 1 1 114 114 SER H H 1 7.325 0.030 . 1 . . . . 114 SER H . 10319 1 stop_ save_