data_10026 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10026 _Entry.Title ; Solution structure of kinase associated domain 1 of mouse MAP/microtubule affinity-regulating kinase 3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-09-25 _Entry.Accession_date 2006-09-25 _Entry.Last_release_date 2008-06-24 _Entry.Original_release_date 2008-06-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 N. Tochio . . . 10026 2 S. Koshiba . . . 10026 3 M. Inoue . . . 10026 4 T. Kigawa . . . 10026 5 S. Yokoyama . . . 10026 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10026 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10026 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 559 10026 '15N chemical shifts' 141 10026 '1H chemical shifts' 864 10026 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 . . 2008-06-24 2006-09-25 original author . 10026 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1V5S 'BMRB Entry Tracking System' 10026 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10026 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17075132 _Citation.Full_citation . _Citation.Title 'Solution structure of the kinase-associated domain 1 of mouse microtubule-associated protein/microtubule affinity-regulating kinase 3' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 11 _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 2534 _Citation.Page_last 2543 _Citation.Year 2006 _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 N. Tochio . . . 10026 1 2 S. Koshiba . . . 10026 1 3 N. Kobayashi . . . 10026 1 4 M. Inoue . . . 10026 1 5 T. Yabuki . . . 10026 1 6 M. Aoki . . . 10026 1 7 E. Seki . . . 10026 1 8 T. Matsuda . . . 10026 1 9 Y. Tomo . . . 10026 1 10 Y. Motoda . . . 10026 1 11 A. Kobayashi . . . 10026 1 12 A. Tanaka . . . 10026 1 13 Y. Hayashizaki . . . 10026 1 14 T. Terada . . . 10026 1 15 M. Shirouzu . . . 10026 1 16 T. Kigawa . . . 10026 1 17 S. Yokoyama . . . 10026 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10026 _Assembly.ID 1 _Assembly.Name 'MAP/microtubule affinity-regulating kinase 3' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10026 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'MAP/microtubule affinity-regulating kinase 3' 1 $entity_1 . . yes native no no . . . 10026 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 yes PDB 1V5S . . . . . . 10026 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10026 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Kinase associated domain 1 (KA1)' _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 ; MKDHLIHNVHKEEHAHAHNK DYDIPTTENLYFQGSSGSSG DMMREIRKVLGANNCDYEQR ERFLLFCVHGDGHAENLVQW EMEVCKLPRLSLNGVRFKRI SGTSIAFKNIASKIANELKL SGPSSG ; _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 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 1V5S . "Solution Structure Of Kinase Associated Domain 1 Of Mouse MapMICROTUBULE AFFINITY-Regulating Kinase 3" . . . . . 100.00 126 100.00 100.00 2.89e-88 . . . . 10026 1 2 no REF XP_002696830 . "PREDICTED: MAP/microtubule affinity-regulating kinase 3 isoform X19 [Bos taurus]" . . . . . 63.49 757 97.50 98.75 9.36e-46 . . . . 10026 1 3 no REF XP_005200933 . "PREDICTED: MAP/microtubule affinity-regulating kinase 3 isoform X7 [Bos taurus]" . . . . . 63.49 766 97.50 98.75 8.70e-46 . . . . 10026 1 4 no REF XP_005200934 . "PREDICTED: MAP/microtubule affinity-regulating kinase 3 isoform X9 [Bos taurus]" . . . . . 63.49 751 97.50 98.75 9.24e-46 . . . . 10026 1 5 no REF XP_005200936 . "PREDICTED: MAP/microtubule affinity-regulating kinase 3 isoform X10 [Bos taurus]" . . . . . 63.49 742 97.50 98.75 7.87e-46 . . . . 10026 1 6 no REF XP_005200937 . "PREDICTED: MAP/microtubule affinity-regulating kinase 3 isoform X11 [Bos taurus]" . . . . . 63.49 726 97.50 98.75 9.09e-46 . . . . 10026 1 7 no TPG DAA17379 . "TPA: MAP/microtubule affinity-regulating kinase 3-like [Bos taurus]" . . . . . 63.49 1025 97.50 98.75 1.48e-45 . . . . 10026 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Kinase associated domain 1 (KA1)' . 10026 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 10026 1 2 . LYS . 10026 1 3 . ASP . 10026 1 4 . HIS . 10026 1 5 . LEU . 10026 1 6 . ILE . 10026 1 7 . HIS . 10026 1 8 . ASN . 10026 1 9 . VAL . 10026 1 10 . HIS . 10026 1 11 . LYS . 10026 1 12 . GLU . 10026 1 13 . GLU . 10026 1 14 . HIS . 10026 1 15 . ALA . 10026 1 16 . HIS . 10026 1 17 . ALA . 10026 1 18 . HIS . 10026 1 19 . ASN . 10026 1 20 . LYS . 10026 1 21 . ASP . 10026 1 22 . TYR . 10026 1 23 . ASP . 10026 1 24 . ILE . 10026 1 25 . PRO . 10026 1 26 . THR . 10026 1 27 . THR . 10026 1 28 . GLU . 10026 1 29 . ASN . 10026 1 30 . LEU . 10026 1 31 . TYR . 10026 1 32 . PHE . 10026 1 33 . GLN . 10026 1 34 . GLY . 10026 1 35 . SER . 10026 1 36 . SER . 10026 1 37 . GLY . 10026 1 38 . SER . 10026 1 39 . SER . 10026 1 40 . GLY . 10026 1 41 . ASP . 10026 1 42 . MET . 10026 1 43 . MET . 10026 1 44 . ARG . 10026 1 45 . GLU . 10026 1 46 . ILE . 10026 1 47 . ARG . 10026 1 48 . LYS . 10026 1 49 . VAL . 10026 1 50 . LEU . 10026 1 51 . GLY . 10026 1 52 . ALA . 10026 1 53 . ASN . 10026 1 54 . ASN . 10026 1 55 . CYS . 10026 1 56 . ASP . 10026 1 57 . TYR . 10026 1 58 . GLU . 10026 1 59 . GLN . 10026 1 60 . ARG . 10026 1 61 . GLU . 10026 1 62 . ARG . 10026 1 63 . PHE . 10026 1 64 . LEU . 10026 1 65 . LEU . 10026 1 66 . PHE . 10026 1 67 . CYS . 10026 1 68 . VAL . 10026 1 69 . HIS . 10026 1 70 . GLY . 10026 1 71 . ASP . 10026 1 72 . GLY . 10026 1 73 . HIS . 10026 1 74 . ALA . 10026 1 75 . GLU . 10026 1 76 . ASN . 10026 1 77 . LEU . 10026 1 78 . VAL . 10026 1 79 . GLN . 10026 1 80 . TRP . 10026 1 81 . GLU . 10026 1 82 . MET . 10026 1 83 . GLU . 10026 1 84 . VAL . 10026 1 85 . CYS . 10026 1 86 . LYS . 10026 1 87 . LEU . 10026 1 88 . PRO . 10026 1 89 . ARG . 10026 1 90 . LEU . 10026 1 91 . SER . 10026 1 92 . LEU . 10026 1 93 . ASN . 10026 1 94 . GLY . 10026 1 95 . VAL . 10026 1 96 . ARG . 10026 1 97 . PHE . 10026 1 98 . LYS . 10026 1 99 . ARG . 10026 1 100 . ILE . 10026 1 101 . SER . 10026 1 102 . GLY . 10026 1 103 . THR . 10026 1 104 . SER . 10026 1 105 . ILE . 10026 1 106 . ALA . 10026 1 107 . PHE . 10026 1 108 . LYS . 10026 1 109 . ASN . 10026 1 110 . ILE . 10026 1 111 . ALA . 10026 1 112 . SER . 10026 1 113 . LYS . 10026 1 114 . ILE . 10026 1 115 . ALA . 10026 1 116 . ASN . 10026 1 117 . GLU . 10026 1 118 . LEU . 10026 1 119 . LYS . 10026 1 120 . LEU . 10026 1 121 . SER . 10026 1 122 . GLY . 10026 1 123 . PRO . 10026 1 124 . SER . 10026 1 125 . SER . 10026 1 126 . GLY . 10026 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 10026 1 . LYS 2 2 10026 1 . ASP 3 3 10026 1 . HIS 4 4 10026 1 . LEU 5 5 10026 1 . ILE 6 6 10026 1 . HIS 7 7 10026 1 . ASN 8 8 10026 1 . VAL 9 9 10026 1 . HIS 10 10 10026 1 . LYS 11 11 10026 1 . GLU 12 12 10026 1 . GLU 13 13 10026 1 . HIS 14 14 10026 1 . ALA 15 15 10026 1 . HIS 16 16 10026 1 . ALA 17 17 10026 1 . HIS 18 18 10026 1 . ASN 19 19 10026 1 . LYS 20 20 10026 1 . ASP 21 21 10026 1 . TYR 22 22 10026 1 . ASP 23 23 10026 1 . ILE 24 24 10026 1 . PRO 25 25 10026 1 . THR 26 26 10026 1 . THR 27 27 10026 1 . GLU 28 28 10026 1 . ASN 29 29 10026 1 . LEU 30 30 10026 1 . TYR 31 31 10026 1 . PHE 32 32 10026 1 . GLN 33 33 10026 1 . GLY 34 34 10026 1 . SER 35 35 10026 1 . SER 36 36 10026 1 . GLY 37 37 10026 1 . SER 38 38 10026 1 . SER 39 39 10026 1 . GLY 40 40 10026 1 . ASP 41 41 10026 1 . MET 42 42 10026 1 . MET 43 43 10026 1 . ARG 44 44 10026 1 . GLU 45 45 10026 1 . ILE 46 46 10026 1 . ARG 47 47 10026 1 . LYS 48 48 10026 1 . VAL 49 49 10026 1 . LEU 50 50 10026 1 . GLY 51 51 10026 1 . ALA 52 52 10026 1 . ASN 53 53 10026 1 . ASN 54 54 10026 1 . CYS 55 55 10026 1 . ASP 56 56 10026 1 . TYR 57 57 10026 1 . GLU 58 58 10026 1 . GLN 59 59 10026 1 . ARG 60 60 10026 1 . GLU 61 61 10026 1 . ARG 62 62 10026 1 . PHE 63 63 10026 1 . LEU 64 64 10026 1 . LEU 65 65 10026 1 . PHE 66 66 10026 1 . CYS 67 67 10026 1 . VAL 68 68 10026 1 . HIS 69 69 10026 1 . GLY 70 70 10026 1 . ASP 71 71 10026 1 . GLY 72 72 10026 1 . HIS 73 73 10026 1 . ALA 74 74 10026 1 . GLU 75 75 10026 1 . ASN 76 76 10026 1 . LEU 77 77 10026 1 . VAL 78 78 10026 1 . GLN 79 79 10026 1 . TRP 80 80 10026 1 . GLU 81 81 10026 1 . MET 82 82 10026 1 . GLU 83 83 10026 1 . VAL 84 84 10026 1 . CYS 85 85 10026 1 . LYS 86 86 10026 1 . LEU 87 87 10026 1 . PRO 88 88 10026 1 . ARG 89 89 10026 1 . LEU 90 90 10026 1 . SER 91 91 10026 1 . LEU 92 92 10026 1 . ASN 93 93 10026 1 . GLY 94 94 10026 1 . VAL 95 95 10026 1 . ARG 96 96 10026 1 . PHE 97 97 10026 1 . LYS 98 98 10026 1 . ARG 99 99 10026 1 . ILE 100 100 10026 1 . SER 101 101 10026 1 . GLY 102 102 10026 1 . THR 103 103 10026 1 . SER 104 104 10026 1 . ILE 105 105 10026 1 . ALA 106 106 10026 1 . PHE 107 107 10026 1 . LYS 108 108 10026 1 . ASN 109 109 10026 1 . ILE 110 110 10026 1 . ALA 111 111 10026 1 . SER 112 112 10026 1 . LYS 113 113 10026 1 . ILE 114 114 10026 1 . ALA 115 115 10026 1 . ASN 116 116 10026 1 . GLU 117 117 10026 1 . LEU 118 118 10026 1 . LYS 119 119 10026 1 . LEU 120 120 10026 1 . SER 121 121 10026 1 . GLY 122 122 10026 1 . PRO 123 123 10026 1 . SER 124 124 10026 1 . SER 125 125 10026 1 . GLY 126 126 10026 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 10026 _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 . 10090 . . . mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10026 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 10026 _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 . . P020417-25 . . . . . . 10026 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10026 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'KA1 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 2.0 . . mM . . . . 10026 1 2 phosphate . . . . . . buffer 20 . . mM . . . . 10026 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10026 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10026 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10026 1 6 D2O . . . . . . solvent 10 . . % . . . . 10026 1 7 H2O . . . . . . solvent 90 . . % . . . . 10026 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 10026 _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 10026 1 pH 6.0 0.05 pH 10026 1 pressure 1 0.001 atm 10026 1 temperature 298 0.1 K 10026 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10026 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10026 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10026 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10026 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details 'Delaglio, F.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10026 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10026 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details 'Johnson, B.A.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10026 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10026 _Software.ID 4 _Software.Name Kujira _Software.Version 0.853 _Software.Details 'Kobayashi, N.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10026 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10026 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details 'Guntert, P.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution & refinement' 10026 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 10026 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10026 _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_13C-separated_NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10026 1 2 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10026 1 stop_ save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10026 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 3D_13C-separated_NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10026 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 3D_15N-separated_NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10026 _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 . . . . . . . . . 10026 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10026 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10026 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 10026 _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_13C-separated_NOESY 1 $sample_1 isotropic 10026 1 2 3D_15N-separated_NOESY 1 $sample_1 isotropic 10026 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HE1 H 1 2.115 0.030 . 1 . . . . 1 MET HE . 10026 1 2 . 1 1 1 1 MET HE2 H 1 2.115 0.030 . 1 . . . . 1 MET HE . 10026 1 3 . 1 1 1 1 MET HE3 H 1 2.115 0.030 . 1 . . . . 1 MET HE . 10026 1 4 . 1 1 1 1 MET C C 13 176.388 0.300 . 1 . . . . 1 MET C . 10026 1 5 . 1 1 1 1 MET CA C 13 54.620 0.300 . 1 . . . . 1 MET CA . 10026 1 6 . 1 1 1 1 MET CB C 13 33.032 0.300 . 1 . . . . 1 MET CB . 10026 1 7 . 1 1 1 1 MET CG C 13 32.004 0.300 . 1 . . . . 1 MET CG . 10026 1 8 . 1 1 1 1 MET CE C 13 16.858 0.300 . 1 . . . . 1 MET CE . 10026 1 9 . 1 1 2 2 LYS C C 13 176.339 0.300 . 1 . . . . 2 LYS C . 10026 1 10 . 1 1 2 2 LYS CA C 13 56.652 0.300 . 1 . . . . 2 LYS CA . 10026 1 11 . 1 1 2 2 LYS CB C 13 32.867 0.300 . 1 . . . . 2 LYS CB . 10026 1 12 . 1 1 2 2 LYS CG C 13 24.697 0.300 . 1 . . . . 2 LYS CG . 10026 1 13 . 1 1 2 2 LYS CD C 13 29.066 0.300 . 1 . . . . 2 LYS CD . 10026 1 14 . 1 1 2 2 LYS CE C 13 42.090 0.300 . 1 . . . . 2 LYS CE . 10026 1 15 . 1 1 2 2 LYS N N 15 122.412 0.300 . 1 . . . . 2 LYS N . 10026 1 16 . 1 1 3 3 ASP H H 1 8.226 0.030 . 1 . . . . 3 ASP H . 10026 1 17 . 1 1 3 3 ASP HB2 H 1 2.685 0.030 . 2 . . . . 3 ASP HB2 . 10026 1 18 . 1 1 3 3 ASP HB3 H 1 2.585 0.030 . 2 . . . . 3 ASP HB3 . 10026 1 19 . 1 1 3 3 ASP C C 13 175.962 0.300 . 1 . . . . 3 ASP C . 10026 1 20 . 1 1 3 3 ASP CA C 13 54.403 0.300 . 1 . . . . 3 ASP CA . 10026 1 21 . 1 1 3 3 ASP CB C 13 40.815 0.300 . 1 . . . . 3 ASP CB . 10026 1 22 . 1 1 3 3 ASP N N 15 120.140 0.300 . 1 . . . . 3 ASP N . 10026 1 23 . 1 1 4 4 HIS H H 1 8.420 0.030 . 1 . . . . 4 HIS H . 10026 1 24 . 1 1 4 4 HIS HA H 1 4.697 0.030 . 1 . . . . 4 HIS HA . 10026 1 25 . 1 1 4 4 HIS HB2 H 1 3.265 0.030 . 2 . . . . 4 HIS HB2 . 10026 1 26 . 1 1 4 4 HIS HB3 H 1 3.160 0.030 . 2 . . . . 4 HIS HB3 . 10026 1 27 . 1 1 4 4 HIS HD2 H 1 7.292 0.030 . 1 . . . . 4 HIS HD2 . 10026 1 28 . 1 1 4 4 HIS HE1 H 1 8.595 0.030 . 1 . . . . 4 HIS HE1 . 10026 1 29 . 1 1 4 4 HIS C C 13 174.213 0.300 . 1 . . . . 4 HIS C . 10026 1 30 . 1 1 4 4 HIS CA C 13 55.492 0.300 . 1 . . . . 4 HIS CA . 10026 1 31 . 1 1 4 4 HIS CB C 13 29.035 0.300 . 1 . . . . 4 HIS CB . 10026 1 32 . 1 1 4 4 HIS CD2 C 13 120.151 0.300 . 1 . . . . 4 HIS CD2 . 10026 1 33 . 1 1 4 4 HIS CE1 C 13 136.411 0.300 . 1 . . . . 4 HIS CE1 . 10026 1 34 . 1 1 4 4 HIS N N 15 118.011 0.300 . 1 . . . . 4 HIS N . 10026 1 35 . 1 1 5 5 LEU H H 1 8.283 0.030 . 1 . . . . 5 LEU H . 10026 1 36 . 1 1 5 5 LEU HA H 1 4.323 0.030 . 1 . . . . 5 LEU HA . 10026 1 37 . 1 1 5 5 LEU HB2 H 1 1.603 0.030 . 2 . . . . 5 LEU HB2 . 10026 1 38 . 1 1 5 5 LEU HB3 H 1 1.462 0.030 . 2 . . . . 5 LEU HB3 . 10026 1 39 . 1 1 5 5 LEU HG H 1 1.481 0.030 . 1 . . . . 5 LEU HG . 10026 1 40 . 1 1 5 5 LEU HD11 H 1 0.899 0.030 . 1 . . . . 5 LEU HD1 . 10026 1 41 . 1 1 5 5 LEU HD12 H 1 0.899 0.030 . 1 . . . . 5 LEU HD1 . 10026 1 42 . 1 1 5 5 LEU HD13 H 1 0.899 0.030 . 1 . . . . 5 LEU HD1 . 10026 1 43 . 1 1 5 5 LEU HD21 H 1 0.833 0.030 . 1 . . . . 5 LEU HD2 . 10026 1 44 . 1 1 5 5 LEU HD22 H 1 0.833 0.030 . 1 . . . . 5 LEU HD2 . 10026 1 45 . 1 1 5 5 LEU HD23 H 1 0.833 0.030 . 1 . . . . 5 LEU HD2 . 10026 1 46 . 1 1 5 5 LEU C C 13 176.976 0.300 . 1 . . . . 5 LEU C . 10026 1 47 . 1 1 5 5 LEU CA C 13 55.223 0.300 . 1 . . . . 5 LEU CA . 10026 1 48 . 1 1 5 5 LEU CB C 13 42.289 0.300 . 1 . . . . 5 LEU CB . 10026 1 49 . 1 1 5 5 LEU CG C 13 27.004 0.300 . 1 . . . . 5 LEU CG . 10026 1 50 . 1 1 5 5 LEU CD1 C 13 24.984 0.300 . 2 . . . . 5 LEU CD1 . 10026 1 51 . 1 1 5 5 LEU CD2 C 13 23.452 0.300 . 2 . . . . 5 LEU CD2 . 10026 1 52 . 1 1 5 5 LEU N N 15 122.928 0.300 . 1 . . . . 5 LEU N . 10026 1 53 . 1 1 6 6 ILE H H 1 8.120 0.030 . 1 . . . . 6 ILE H . 10026 1 54 . 1 1 6 6 ILE HA H 1 4.098 0.030 . 1 . . . . 6 ILE HA . 10026 1 55 . 1 1 6 6 ILE HB H 1 1.798 0.030 . 1 . . . . 6 ILE HB . 10026 1 56 . 1 1 6 6 ILE HG12 H 1 1.401 0.030 . 2 . . . . 6 ILE HG12 . 10026 1 57 . 1 1 6 6 ILE HG13 H 1 1.145 0.030 . 2 . . . . 6 ILE HG13 . 10026 1 58 . 1 1 6 6 ILE HG21 H 1 0.827 0.030 . 1 . . . . 6 ILE HG2 . 10026 1 59 . 1 1 6 6 ILE HG22 H 1 0.827 0.030 . 1 . . . . 6 ILE HG2 . 10026 1 60 . 1 1 6 6 ILE HG23 H 1 0.827 0.030 . 1 . . . . 6 ILE HG2 . 10026 1 61 . 1 1 6 6 ILE HD11 H 1 0.831 0.030 . 1 . . . . 6 ILE HD1 . 10026 1 62 . 1 1 6 6 ILE HD12 H 1 0.831 0.030 . 1 . . . . 6 ILE HD1 . 10026 1 63 . 1 1 6 6 ILE HD13 H 1 0.831 0.030 . 1 . . . . 6 ILE HD1 . 10026 1 64 . 1 1 6 6 ILE C C 13 176.020 0.300 . 1 . . . . 6 ILE C . 10026 1 65 . 1 1 6 6 ILE CA C 13 60.972 0.300 . 1 . . . . 6 ILE CA . 10026 1 66 . 1 1 6 6 ILE CB C 13 38.533 0.300 . 1 . . . . 6 ILE CB . 10026 1 67 . 1 1 6 6 ILE CG1 C 13 27.294 0.300 . 1 . . . . 6 ILE CG1 . 10026 1 68 . 1 1 6 6 ILE CG2 C 13 17.525 0.300 . 1 . . . . 6 ILE CG2 . 10026 1 69 . 1 1 6 6 ILE CD1 C 13 12.662 0.300 . 1 . . . . 6 ILE CD1 . 10026 1 70 . 1 1 6 6 ILE N N 15 121.702 0.300 . 1 . . . . 6 ILE N . 10026 1 71 . 1 1 7 7 HIS H H 1 8.619 0.030 . 1 . . . . 7 HIS H . 10026 1 72 . 1 1 7 7 HIS HA H 1 4.746 0.030 . 1 . . . . 7 HIS HA . 10026 1 73 . 1 1 7 7 HIS HB2 H 1 3.265 0.030 . 2 . . . . 7 HIS HB2 . 10026 1 74 . 1 1 7 7 HIS HB3 H 1 3.161 0.030 . 2 . . . . 7 HIS HB3 . 10026 1 75 . 1 1 7 7 HIS HD2 H 1 7.263 0.030 . 1 . . . . 7 HIS HD2 . 10026 1 76 . 1 1 7 7 HIS HE1 H 1 8.598 0.030 . 1 . . . . 7 HIS HE1 . 10026 1 77 . 1 1 7 7 HIS C C 13 173.849 0.300 . 1 . . . . 7 HIS C . 10026 1 78 . 1 1 7 7 HIS CA C 13 54.965 0.300 . 1 . . . . 7 HIS CA . 10026 1 79 . 1 1 7 7 HIS CB C 13 29.023 0.300 . 1 . . . . 7 HIS CB . 10026 1 80 . 1 1 7 7 HIS CD2 C 13 120.151 0.300 . 1 . . . . 7 HIS CD2 . 10026 1 81 . 1 1 7 7 HIS CE1 C 13 136.429 0.300 . 1 . . . . 7 HIS CE1 . 10026 1 82 . 1 1 7 7 HIS N N 15 123.028 0.300 . 1 . . . . 7 HIS N . 10026 1 83 . 1 1 8 8 ASN H H 1 8.539 0.030 . 1 . . . . 8 ASN H . 10026 1 84 . 1 1 8 8 ASN HA H 1 4.720 0.030 . 1 . . . . 8 ASN HA . 10026 1 85 . 1 1 8 8 ASN HB2 H 1 2.807 0.030 . 2 . . . . 8 ASN HB2 . 10026 1 86 . 1 1 8 8 ASN HB3 H 1 2.718 0.030 . 2 . . . . 8 ASN HB3 . 10026 1 87 . 1 1 8 8 ASN HD21 H 1 7.517 0.030 . 2 . . . . 8 ASN HD21 . 10026 1 88 . 1 1 8 8 ASN HD22 H 1 6.775 0.030 . 2 . . . . 8 ASN HD22 . 10026 1 89 . 1 1 8 8 ASN C C 13 174.942 0.300 . 1 . . . . 8 ASN C . 10026 1 90 . 1 1 8 8 ASN CA C 13 53.151 0.300 . 1 . . . . 8 ASN CA . 10026 1 91 . 1 1 8 8 ASN CB C 13 38.909 0.300 . 1 . . . . 8 ASN CB . 10026 1 92 . 1 1 8 8 ASN N N 15 121.119 0.300 . 1 . . . . 8 ASN N . 10026 1 93 . 1 1 8 8 ASN ND2 N 15 111.845 0.300 . 1 . . . . 8 ASN ND2 . 10026 1 94 . 1 1 9 9 VAL H H 1 8.178 0.030 . 1 . . . . 9 VAL H . 10026 1 95 . 1 1 9 9 VAL HA H 1 4.075 0.030 . 1 . . . . 9 VAL HA . 10026 1 96 . 1 1 9 9 VAL HB H 1 2.038 0.030 . 1 . . . . 9 VAL HB . 10026 1 97 . 1 1 9 9 VAL HG11 H 1 0.854 0.030 . 1 . . . . 9 VAL HG1 . 10026 1 98 . 1 1 9 9 VAL HG12 H 1 0.854 0.030 . 1 . . . . 9 VAL HG1 . 10026 1 99 . 1 1 9 9 VAL HG13 H 1 0.854 0.030 . 1 . . . . 9 VAL HG1 . 10026 1 100 . 1 1 9 9 VAL HG21 H 1 0.854 0.030 . 1 . . . . 9 VAL HG2 . 10026 1 101 . 1 1 9 9 VAL HG22 H 1 0.854 0.030 . 1 . . . . 9 VAL HG2 . 10026 1 102 . 1 1 9 9 VAL HG23 H 1 0.854 0.030 . 1 . . . . 9 VAL HG2 . 10026 1 103 . 1 1 9 9 VAL C C 13 175.914 0.300 . 1 . . . . 9 VAL C . 10026 1 104 . 1 1 9 9 VAL CA C 13 62.413 0.300 . 1 . . . . 9 VAL CA . 10026 1 105 . 1 1 9 9 VAL CB C 13 32.575 0.300 . 1 . . . . 9 VAL CB . 10026 1 106 . 1 1 9 9 VAL CG1 C 13 20.307 0.300 . 2 . . . . 9 VAL CG1 . 10026 1 107 . 1 1 9 9 VAL CG2 C 13 21.050 0.300 . 2 . . . . 9 VAL CG2 . 10026 1 108 . 1 1 9 9 VAL N N 15 120.566 0.300 . 1 . . . . 9 VAL N . 10026 1 109 . 1 1 10 10 HIS H H 1 8.611 0.030 . 1 . . . . 10 HIS H . 10026 1 110 . 1 1 10 10 HIS HA H 1 4.709 0.030 . 1 . . . . 10 HIS HA . 10026 1 111 . 1 1 10 10 HIS HB2 H 1 3.255 0.030 . 2 . . . . 10 HIS HB2 . 10026 1 112 . 1 1 10 10 HIS HB3 H 1 3.181 0.030 . 2 . . . . 10 HIS HB3 . 10026 1 113 . 1 1 10 10 HIS HD2 H 1 7.286 0.030 . 1 . . . . 10 HIS HD2 . 10026 1 114 . 1 1 10 10 HIS HE1 H 1 8.598 0.030 . 1 . . . . 10 HIS HE1 . 10026 1 115 . 1 1 10 10 HIS C C 13 174.286 0.300 . 1 . . . . 10 HIS C . 10026 1 116 . 1 1 10 10 HIS CA C 13 55.282 0.300 . 1 . . . . 10 HIS CA . 10026 1 117 . 1 1 10 10 HIS CB C 13 29.059 0.300 . 1 . . . . 10 HIS CB . 10026 1 118 . 1 1 10 10 HIS CD2 C 13 120.151 0.300 . 1 . . . . 10 HIS CD2 . 10026 1 119 . 1 1 10 10 HIS CE1 C 13 136.429 0.300 . 1 . . . . 10 HIS CE1 . 10026 1 120 . 1 1 10 10 HIS N N 15 122.406 0.300 . 1 . . . . 10 HIS N . 10026 1 121 . 1 1 11 11 LYS H H 1 8.363 0.030 . 1 . . . . 11 LYS H . 10026 1 122 . 1 1 11 11 LYS HA H 1 4.260 0.030 . 1 . . . . 11 LYS HA . 10026 1 123 . 1 1 11 11 LYS HB2 H 1 1.793 0.030 . 2 . . . . 11 LYS HB2 . 10026 1 124 . 1 1 11 11 LYS HB3 H 1 1.726 0.030 . 2 . . . . 11 LYS HB3 . 10026 1 125 . 1 1 11 11 LYS HG2 H 1 1.370 0.030 . 1 . . . . 11 LYS HG2 . 10026 1 126 . 1 1 11 11 LYS HG3 H 1 1.370 0.030 . 1 . . . . 11 LYS HG3 . 10026 1 127 . 1 1 11 11 LYS HD2 H 1 1.671 0.030 . 1 . . . . 11 LYS HD2 . 10026 1 128 . 1 1 11 11 LYS HD3 H 1 1.671 0.030 . 1 . . . . 11 LYS HD3 . 10026 1 129 . 1 1 11 11 LYS HE2 H 1 2.975 0.030 . 1 . . . . 11 LYS HE2 . 10026 1 130 . 1 1 11 11 LYS HE3 H 1 2.975 0.030 . 1 . . . . 11 LYS HE3 . 10026 1 131 . 1 1 11 11 LYS C C 13 176.230 0.300 . 1 . . . . 11 LYS C . 10026 1 132 . 1 1 11 11 LYS CA C 13 56.687 0.300 . 1 . . . . 11 LYS CA . 10026 1 133 . 1 1 11 11 LYS CB C 13 33.112 0.300 . 1 . . . . 11 LYS CB . 10026 1 134 . 1 1 11 11 LYS CG C 13 24.591 0.300 . 1 . . . . 11 LYS CG . 10026 1 135 . 1 1 11 11 LYS CD C 13 29.066 0.300 . 1 . . . . 11 LYS CD . 10026 1 136 . 1 1 11 11 LYS CE C 13 42.173 0.300 . 1 . . . . 11 LYS CE . 10026 1 137 . 1 1 11 11 LYS N N 15 123.939 0.300 . 1 . . . . 11 LYS N . 10026 1 138 . 1 1 12 12 GLU H H 1 8.546 0.030 . 1 . . . . 12 GLU H . 10026 1 139 . 1 1 12 12 GLU HA H 1 4.282 0.030 . 1 . . . . 12 GLU HA . 10026 1 140 . 1 1 12 12 GLU HB2 H 1 2.010 0.030 . 2 . . . . 12 GLU HB2 . 10026 1 141 . 1 1 12 12 GLU HB3 H 1 1.918 0.030 . 2 . . . . 12 GLU HB3 . 10026 1 142 . 1 1 12 12 GLU HG2 H 1 2.268 0.030 . 1 . . . . 12 GLU HG2 . 10026 1 143 . 1 1 12 12 GLU HG3 H 1 2.268 0.030 . 1 . . . . 12 GLU HG3 . 10026 1 144 . 1 1 12 12 GLU C C 13 176.205 0.300 . 1 . . . . 12 GLU C . 10026 1 145 . 1 1 12 12 GLU CA C 13 56.336 0.300 . 1 . . . . 12 GLU CA . 10026 1 146 . 1 1 12 12 GLU CB C 13 30.009 0.300 . 1 . . . . 12 GLU CB . 10026 1 147 . 1 1 12 12 GLU CG C 13 35.647 0.300 . 1 . . . . 12 GLU CG . 10026 1 148 . 1 1 12 12 GLU N N 15 122.576 0.300 . 1 . . . . 12 GLU N . 10026 1 149 . 1 1 13 13 GLU H H 1 8.434 0.030 . 1 . . . . 13 GLU H . 10026 1 150 . 1 1 13 13 GLU HA H 1 4.265 0.030 . 1 . . . . 13 GLU HA . 10026 1 151 . 1 1 13 13 GLU HB2 H 1 1.953 0.030 . 2 . . . . 13 GLU HB2 . 10026 1 152 . 1 1 13 13 GLU HB3 H 1 1.886 0.030 . 2 . . . . 13 GLU HB3 . 10026 1 153 . 1 1 13 13 GLU HG2 H 1 2.213 0.030 . 1 . . . . 13 GLU HG2 . 10026 1 154 . 1 1 13 13 GLU HG3 H 1 2.213 0.030 . 1 . . . . 13 GLU HG3 . 10026 1 155 . 1 1 13 13 GLU C C 13 176.254 0.300 . 1 . . . . 13 GLU C . 10026 1 156 . 1 1 13 13 GLU CA C 13 56.406 0.300 . 1 . . . . 13 GLU CA . 10026 1 157 . 1 1 13 13 GLU CB C 13 30.336 0.300 . 1 . . . . 13 GLU CB . 10026 1 158 . 1 1 13 13 GLU CG C 13 35.653 0.300 . 1 . . . . 13 GLU CG . 10026 1 159 . 1 1 13 13 GLU N N 15 122.803 0.300 . 1 . . . . 13 GLU N . 10026 1 160 . 1 1 14 14 HIS H H 1 8.572 0.030 . 1 . . . . 14 HIS H . 10026 1 161 . 1 1 14 14 HIS HA H 1 4.697 0.030 . 1 . . . . 14 HIS HA . 10026 1 162 . 1 1 14 14 HIS HB2 H 1 3.270 0.030 . 2 . . . . 14 HIS HB2 . 10026 1 163 . 1 1 14 14 HIS HB3 H 1 3.164 0.030 . 2 . . . . 14 HIS HB3 . 10026 1 164 . 1 1 14 14 HIS HD2 H 1 7.292 0.030 . 1 . . . . 14 HIS HD2 . 10026 1 165 . 1 1 14 14 HIS HE1 H 1 8.598 0.030 . 1 . . . . 14 HIS HE1 . 10026 1 166 . 1 1 14 14 HIS C C 13 174.165 0.300 . 1 . . . . 14 HIS C . 10026 1 167 . 1 1 14 14 HIS CA C 13 55.071 0.300 . 1 . . . . 14 HIS CA . 10026 1 168 . 1 1 14 14 HIS CB C 13 29.035 0.300 . 1 . . . . 14 HIS CB . 10026 1 169 . 1 1 14 14 HIS CD2 C 13 120.151 0.300 . 1 . . . . 14 HIS CD2 . 10026 1 170 . 1 1 14 14 HIS CE1 C 13 136.429 0.300 . 1 . . . . 14 HIS CE1 . 10026 1 171 . 1 1 14 14 HIS N N 15 119.362 0.300 . 1 . . . . 14 HIS N . 10026 1 172 . 1 1 15 15 ALA H H 1 8.363 0.030 . 1 . . . . 15 ALA H . 10026 1 173 . 1 1 15 15 ALA HA H 1 4.257 0.030 . 1 . . . . 15 ALA HA . 10026 1 174 . 1 1 15 15 ALA HB1 H 1 1.340 0.030 . 1 . . . . 15 ALA HB . 10026 1 175 . 1 1 15 15 ALA HB2 H 1 1.340 0.030 . 1 . . . . 15 ALA HB . 10026 1 176 . 1 1 15 15 ALA HB3 H 1 1.340 0.030 . 1 . . . . 15 ALA HB . 10026 1 177 . 1 1 15 15 ALA C C 13 177.590 0.300 . 1 . . . . 15 ALA C . 10026 1 178 . 1 1 15 15 ALA CA C 13 52.724 0.300 . 1 . . . . 15 ALA CA . 10026 1 179 . 1 1 15 15 ALA CB C 13 19.304 0.300 . 1 . . . . 15 ALA CB . 10026 1 180 . 1 1 15 15 ALA N N 15 124.613 0.300 . 1 . . . . 15 ALA N . 10026 1 181 . 1 1 16 16 HIS H H 1 8.543 0.030 . 1 . . . . 16 HIS H . 10026 1 182 . 1 1 16 16 HIS HA H 1 4.685 0.030 . 1 . . . . 16 HIS HA . 10026 1 183 . 1 1 16 16 HIS HB2 H 1 3.270 0.030 . 2 . . . . 16 HIS HB2 . 10026 1 184 . 1 1 16 16 HIS HB3 H 1 3.163 0.030 . 2 . . . . 16 HIS HB3 . 10026 1 185 . 1 1 16 16 HIS HD2 H 1 7.292 0.030 . 1 . . . . 16 HIS HD2 . 10026 1 186 . 1 1 16 16 HIS HE1 H 1 8.598 0.030 . 1 . . . . 16 HIS HE1 . 10026 1 187 . 1 1 16 16 HIS C C 13 174.165 0.300 . 1 . . . . 16 HIS C . 10026 1 188 . 1 1 16 16 HIS CA C 13 55.036 0.300 . 1 . . . . 16 HIS CA . 10026 1 189 . 1 1 16 16 HIS CB C 13 29.020 0.300 . 1 . . . . 16 HIS CB . 10026 1 190 . 1 1 16 16 HIS CD2 C 13 120.151 0.300 . 1 . . . . 16 HIS CD2 . 10026 1 191 . 1 1 16 16 HIS CE1 C 13 136.429 0.300 . 1 . . . . 16 HIS CE1 . 10026 1 192 . 1 1 16 16 HIS N N 15 117.755 0.300 . 1 . . . . 16 HIS N . 10026 1 193 . 1 1 17 17 ALA H H 1 8.312 0.030 . 1 . . . . 17 ALA H . 10026 1 194 . 1 1 17 17 ALA HA H 1 4.259 0.030 . 1 . . . . 17 ALA HA . 10026 1 195 . 1 1 17 17 ALA HB1 H 1 1.331 0.030 . 1 . . . . 17 ALA HB . 10026 1 196 . 1 1 17 17 ALA HB2 H 1 1.331 0.030 . 1 . . . . 17 ALA HB . 10026 1 197 . 1 1 17 17 ALA HB3 H 1 1.331 0.030 . 1 . . . . 17 ALA HB . 10026 1 198 . 1 1 17 17 ALA C C 13 177.541 0.300 . 1 . . . . 17 ALA C . 10026 1 199 . 1 1 17 17 ALA CA C 13 52.784 0.300 . 1 . . . . 17 ALA CA . 10026 1 200 . 1 1 17 17 ALA CB C 13 19.221 0.300 . 1 . . . . 17 ALA CB . 10026 1 201 . 1 1 17 17 ALA N N 15 124.844 0.300 . 1 . . . . 17 ALA N . 10026 1 202 . 1 1 18 18 HIS H H 1 8.613 0.030 . 1 . . . . 18 HIS H . 10026 1 203 . 1 1 18 18 HIS HA H 1 4.697 0.030 . 1 . . . . 18 HIS HA . 10026 1 204 . 1 1 18 18 HIS HB2 H 1 3.265 0.030 . 2 . . . . 18 HIS HB2 . 10026 1 205 . 1 1 18 18 HIS HB3 H 1 3.163 0.030 . 2 . . . . 18 HIS HB3 . 10026 1 206 . 1 1 18 18 HIS HD2 H 1 7.262 0.030 . 1 . . . . 18 HIS HD2 . 10026 1 207 . 1 1 18 18 HIS HE1 H 1 8.598 0.030 . 1 . . . . 18 HIS HE1 . 10026 1 208 . 1 1 18 18 HIS C C 13 174.165 0.300 . 1 . . . . 18 HIS C . 10026 1 209 . 1 1 18 18 HIS CA C 13 55.211 0.300 . 1 . . . . 18 HIS CA . 10026 1 210 . 1 1 18 18 HIS CB C 13 29.035 0.300 . 1 . . . . 18 HIS CB . 10026 1 211 . 1 1 18 18 HIS CD2 C 13 120.151 0.300 . 1 . . . . 18 HIS CD2 . 10026 1 212 . 1 1 18 18 HIS CE1 C 13 136.429 0.300 . 1 . . . . 18 HIS CE1 . 10026 1 213 . 1 1 18 18 HIS N N 15 117.939 0.300 . 1 . . . . 18 HIS N . 10026 1 214 . 1 1 19 19 ASN H H 1 8.478 0.030 . 1 . . . . 19 ASN H . 10026 1 215 . 1 1 19 19 ASN HA H 1 4.663 0.030 . 1 . . . . 19 ASN HA . 10026 1 216 . 1 1 19 19 ASN HB2 H 1 2.820 0.030 . 2 . . . . 19 ASN HB2 . 10026 1 217 . 1 1 19 19 ASN HB3 H 1 2.787 0.030 . 2 . . . . 19 ASN HB3 . 10026 1 218 . 1 1 19 19 ASN HD21 H 1 7.611 0.030 . 2 . . . . 19 ASN HD21 . 10026 1 219 . 1 1 19 19 ASN HD22 H 1 6.950 0.030 . 2 . . . . 19 ASN HD22 . 10026 1 220 . 1 1 19 19 ASN C C 13 175.282 0.300 . 1 . . . . 19 ASN C . 10026 1 221 . 1 1 19 19 ASN CA C 13 53.341 0.300 . 1 . . . . 19 ASN CA . 10026 1 222 . 1 1 19 19 ASN CB C 13 38.872 0.300 . 1 . . . . 19 ASN CB . 10026 1 223 . 1 1 19 19 ASN N N 15 120.402 0.300 . 1 . . . . 19 ASN N . 10026 1 224 . 1 1 19 19 ASN ND2 N 15 112.864 0.300 . 1 . . . . 19 ASN ND2 . 10026 1 225 . 1 1 20 20 LYS H H 1 8.398 0.030 . 1 . . . . 20 LYS H . 10026 1 226 . 1 1 20 20 LYS HA H 1 4.273 0.030 . 1 . . . . 20 LYS HA . 10026 1 227 . 1 1 20 20 LYS HB2 H 1 1.767 0.030 . 2 . . . . 20 LYS HB2 . 10026 1 228 . 1 1 20 20 LYS HB3 H 1 1.724 0.030 . 2 . . . . 20 LYS HB3 . 10026 1 229 . 1 1 20 20 LYS HG2 H 1 1.371 0.030 . 1 . . . . 20 LYS HG2 . 10026 1 230 . 1 1 20 20 LYS HG3 H 1 1.371 0.030 . 1 . . . . 20 LYS HG3 . 10026 1 231 . 1 1 20 20 LYS HD2 H 1 1.661 0.030 . 1 . . . . 20 LYS HD2 . 10026 1 232 . 1 1 20 20 LYS HD3 H 1 1.661 0.030 . 1 . . . . 20 LYS HD3 . 10026 1 233 . 1 1 20 20 LYS HE2 H 1 2.988 0.030 . 1 . . . . 20 LYS HE2 . 10026 1 234 . 1 1 20 20 LYS HE3 H 1 2.988 0.030 . 1 . . . . 20 LYS HE3 . 10026 1 235 . 1 1 20 20 LYS C C 13 176.181 0.300 . 1 . . . . 20 LYS C . 10026 1 236 . 1 1 20 20 LYS CA C 13 56.479 0.300 . 1 . . . . 20 LYS CA . 10026 1 237 . 1 1 20 20 LYS CB C 13 32.783 0.300 . 1 . . . . 20 LYS CB . 10026 1 238 . 1 1 20 20 LYS CG C 13 24.550 0.300 . 1 . . . . 20 LYS CG . 10026 1 239 . 1 1 20 20 LYS CD C 13 29.066 0.300 . 1 . . . . 20 LYS CD . 10026 1 240 . 1 1 20 20 LYS CE C 13 42.173 0.300 . 1 . . . . 20 LYS CE . 10026 1 241 . 1 1 20 20 LYS N N 15 121.607 0.300 . 1 . . . . 20 LYS N . 10026 1 242 . 1 1 21 21 ASP H H 1 8.270 0.030 . 1 . . . . 21 ASP H . 10026 1 243 . 1 1 21 21 ASP HA H 1 4.538 0.030 . 1 . . . . 21 ASP HA . 10026 1 244 . 1 1 21 21 ASP HB2 H 1 2.646 0.030 . 2 . . . . 21 ASP HB2 . 10026 1 245 . 1 1 21 21 ASP HB3 H 1 2.561 0.030 . 2 . . . . 21 ASP HB3 . 10026 1 246 . 1 1 21 21 ASP C C 13 175.841 0.300 . 1 . . . . 21 ASP C . 10026 1 247 . 1 1 21 21 ASP CA C 13 54.561 0.300 . 1 . . . . 21 ASP CA . 10026 1 248 . 1 1 21 21 ASP CB C 13 40.643 0.300 . 1 . . . . 21 ASP CB . 10026 1 249 . 1 1 21 21 ASP N N 15 120.567 0.300 . 1 . . . . 21 ASP N . 10026 1 250 . 1 1 22 22 TYR H H 1 7.923 0.030 . 1 . . . . 22 TYR H . 10026 1 251 . 1 1 22 22 TYR HA H 1 4.528 0.030 . 1 . . . . 22 TYR HA . 10026 1 252 . 1 1 22 22 TYR HB2 H 1 3.082 0.030 . 2 . . . . 22 TYR HB2 . 10026 1 253 . 1 1 22 22 TYR HB3 H 1 2.914 0.030 . 2 . . . . 22 TYR HB3 . 10026 1 254 . 1 1 22 22 TYR HD1 H 1 7.083 0.030 . 1 . . . . 22 TYR HD1 . 10026 1 255 . 1 1 22 22 TYR HD2 H 1 7.083 0.030 . 1 . . . . 22 TYR HD2 . 10026 1 256 . 1 1 22 22 TYR HE1 H 1 6.780 0.030 . 1 . . . . 22 TYR HE1 . 10026 1 257 . 1 1 22 22 TYR HE2 H 1 6.780 0.030 . 1 . . . . 22 TYR HE2 . 10026 1 258 . 1 1 22 22 TYR C C 13 175.282 0.300 . 1 . . . . 22 TYR C . 10026 1 259 . 1 1 22 22 TYR CA C 13 57.741 0.300 . 1 . . . . 22 TYR CA . 10026 1 260 . 1 1 22 22 TYR CB C 13 38.807 0.300 . 1 . . . . 22 TYR CB . 10026 1 261 . 1 1 22 22 TYR CD1 C 13 133.197 0.300 . 1 . . . . 22 TYR CD1 . 10026 1 262 . 1 1 22 22 TYR CD2 C 13 133.197 0.300 . 1 . . . . 22 TYR CD2 . 10026 1 263 . 1 1 22 22 TYR CE1 C 13 118.093 0.300 . 1 . . . . 22 TYR CE1 . 10026 1 264 . 1 1 22 22 TYR CE2 C 13 118.093 0.300 . 1 . . . . 22 TYR CE2 . 10026 1 265 . 1 1 22 22 TYR N N 15 119.234 0.300 . 1 . . . . 22 TYR N . 10026 1 266 . 1 1 23 23 ASP H H 1 8.196 0.030 . 1 . . . . 23 ASP H . 10026 1 267 . 1 1 23 23 ASP HA H 1 4.630 0.030 . 1 . . . . 23 ASP HA . 10026 1 268 . 1 1 23 23 ASP HB2 H 1 2.685 0.030 . 2 . . . . 23 ASP HB2 . 10026 1 269 . 1 1 23 23 ASP HB3 H 1 2.582 0.030 . 2 . . . . 23 ASP HB3 . 10026 1 270 . 1 1 23 23 ASP C C 13 175.310 0.300 . 1 . . . . 23 ASP C . 10026 1 271 . 1 1 23 23 ASP CA C 13 53.878 0.300 . 1 . . . . 23 ASP CA . 10026 1 272 . 1 1 23 23 ASP CB C 13 40.785 0.300 . 1 . . . . 23 ASP CB . 10026 1 273 . 1 1 23 23 ASP N N 15 121.651 0.300 . 1 . . . . 23 ASP N . 10026 1 274 . 1 1 24 24 ILE H H 1 7.965 0.030 . 1 . . . . 24 ILE H . 10026 1 275 . 1 1 24 24 ILE HA H 1 4.427 0.030 . 1 . . . . 24 ILE HA . 10026 1 276 . 1 1 24 24 ILE HB H 1 1.870 0.030 . 1 . . . . 24 ILE HB . 10026 1 277 . 1 1 24 24 ILE HG12 H 1 1.518 0.030 . 2 . . . . 24 ILE HG12 . 10026 1 278 . 1 1 24 24 ILE HG13 H 1 1.158 0.030 . 2 . . . . 24 ILE HG13 . 10026 1 279 . 1 1 24 24 ILE HG21 H 1 0.960 0.030 . 1 . . . . 24 ILE HG2 . 10026 1 280 . 1 1 24 24 ILE HG22 H 1 0.960 0.030 . 1 . . . . 24 ILE HG2 . 10026 1 281 . 1 1 24 24 ILE HG23 H 1 0.960 0.030 . 1 . . . . 24 ILE HG2 . 10026 1 282 . 1 1 24 24 ILE HD11 H 1 0.865 0.030 . 1 . . . . 24 ILE HD1 . 10026 1 283 . 1 1 24 24 ILE HD12 H 1 0.865 0.030 . 1 . . . . 24 ILE HD1 . 10026 1 284 . 1 1 24 24 ILE HD13 H 1 0.865 0.030 . 1 . . . . 24 ILE HD1 . 10026 1 285 . 1 1 24 24 ILE C C 13 174.626 0.300 . 1 . . . . 24 ILE C . 10026 1 286 . 1 1 24 24 ILE CA C 13 58.827 0.300 . 1 . . . . 24 ILE CA . 10026 1 287 . 1 1 24 24 ILE CB C 13 38.666 0.300 . 1 . . . . 24 ILE CB . 10026 1 288 . 1 1 24 24 ILE CG1 C 13 27.069 0.300 . 1 . . . . 24 ILE CG1 . 10026 1 289 . 1 1 24 24 ILE CG2 C 13 17.297 0.300 . 1 . . . . 24 ILE CG2 . 10026 1 290 . 1 1 24 24 ILE CD1 C 13 12.912 0.300 . 1 . . . . 24 ILE CD1 . 10026 1 291 . 1 1 24 24 ILE N N 15 122.306 0.300 . 1 . . . . 24 ILE N . 10026 1 292 . 1 1 25 25 PRO HA H 1 4.540 0.030 . 1 . . . . 25 PRO HA . 10026 1 293 . 1 1 25 25 PRO HB2 H 1 2.346 0.030 . 2 . . . . 25 PRO HB2 . 10026 1 294 . 1 1 25 25 PRO HB3 H 1 1.960 0.030 . 2 . . . . 25 PRO HB3 . 10026 1 295 . 1 1 25 25 PRO HG2 H 1 2.064 0.030 . 2 . . . . 25 PRO HG2 . 10026 1 296 . 1 1 25 25 PRO HG3 H 1 2.022 0.030 . 2 . . . . 25 PRO HG3 . 10026 1 297 . 1 1 25 25 PRO HD2 H 1 3.708 0.030 . 2 . . . . 25 PRO HD2 . 10026 1 298 . 1 1 25 25 PRO HD3 H 1 3.914 0.030 . 2 . . . . 25 PRO HD3 . 10026 1 299 . 1 1 25 25 PRO C C 13 177.221 0.300 . 1 . . . . 25 PRO C . 10026 1 300 . 1 1 25 25 PRO CA C 13 63.357 0.300 . 1 . . . . 25 PRO CA . 10026 1 301 . 1 1 25 25 PRO CB C 13 32.293 0.300 . 1 . . . . 25 PRO CB . 10026 1 302 . 1 1 25 25 PRO CG C 13 27.500 0.300 . 1 . . . . 25 PRO CG . 10026 1 303 . 1 1 25 25 PRO CD C 13 51.158 0.300 . 1 . . . . 25 PRO CD . 10026 1 304 . 1 1 26 26 THR H H 1 8.314 0.030 . 1 . . . . 26 THR H . 10026 1 305 . 1 1 26 26 THR HA H 1 4.425 0.030 . 1 . . . . 26 THR HA . 10026 1 306 . 1 1 26 26 THR HB H 1 4.299 0.030 . 1 . . . . 26 THR HB . 10026 1 307 . 1 1 26 26 THR HG21 H 1 1.261 0.030 . 1 . . . . 26 THR HG2 . 10026 1 308 . 1 1 26 26 THR HG22 H 1 1.261 0.030 . 1 . . . . 26 THR HG2 . 10026 1 309 . 1 1 26 26 THR HG23 H 1 1.261 0.030 . 1 . . . . 26 THR HG2 . 10026 1 310 . 1 1 26 26 THR C C 13 174.918 0.300 . 1 . . . . 26 THR C . 10026 1 311 . 1 1 26 26 THR CA C 13 61.909 0.300 . 1 . . . . 26 THR CA . 10026 1 312 . 1 1 26 26 THR CB C 13 69.857 0.300 . 1 . . . . 26 THR CB . 10026 1 313 . 1 1 26 26 THR CG2 C 13 21.760 0.300 . 1 . . . . 26 THR CG2 . 10026 1 314 . 1 1 26 26 THR N N 15 114.396 0.300 . 1 . . . . 26 THR N . 10026 1 315 . 1 1 27 27 THR H H 1 8.076 0.030 . 1 . . . . 27 THR H . 10026 1 316 . 1 1 27 27 THR HA H 1 4.417 0.030 . 1 . . . . 27 THR HA . 10026 1 317 . 1 1 27 27 THR HB H 1 4.288 0.030 . 1 . . . . 27 THR HB . 10026 1 318 . 1 1 27 27 THR HG21 H 1 1.240 0.030 . 1 . . . . 27 THR HG2 . 10026 1 319 . 1 1 27 27 THR HG22 H 1 1.240 0.030 . 1 . . . . 27 THR HG2 . 10026 1 320 . 1 1 27 27 THR HG23 H 1 1.240 0.030 . 1 . . . . 27 THR HG2 . 10026 1 321 . 1 1 27 27 THR C C 13 174.019 0.300 . 1 . . . . 27 THR C . 10026 1 322 . 1 1 27 27 THR CA C 13 61.654 0.300 . 1 . . . . 27 THR CA . 10026 1 323 . 1 1 27 27 THR CB C 13 69.877 0.300 . 1 . . . . 27 THR CB . 10026 1 324 . 1 1 27 27 THR CG2 C 13 21.812 0.300 . 1 . . . . 27 THR CG2 . 10026 1 325 . 1 1 27 27 THR N N 15 115.175 0.300 . 1 . . . . 27 THR N . 10026 1 326 . 1 1 28 28 GLU H H 1 8.499 0.030 . 1 . . . . 28 GLU H . 10026 1 327 . 1 1 28 28 GLU HA H 1 4.409 0.030 . 1 . . . . 28 GLU HA . 10026 1 328 . 1 1 28 28 GLU HB2 H 1 2.083 0.030 . 2 . . . . 28 GLU HB2 . 10026 1 329 . 1 1 28 28 GLU HB3 H 1 1.939 0.030 . 2 . . . . 28 GLU HB3 . 10026 1 330 . 1 1 28 28 GLU HG2 H 1 2.339 0.030 . 2 . . . . 28 GLU HG2 . 10026 1 331 . 1 1 28 28 GLU HG3 H 1 2.245 0.030 . 2 . . . . 28 GLU HG3 . 10026 1 332 . 1 1 28 28 GLU C C 13 174.821 0.300 . 1 . . . . 28 GLU C . 10026 1 333 . 1 1 28 28 GLU CA C 13 56.754 0.300 . 1 . . . . 28 GLU CA . 10026 1 334 . 1 1 28 28 GLU CB C 13 30.741 0.300 . 1 . . . . 28 GLU CB . 10026 1 335 . 1 1 28 28 GLU CG C 13 35.660 0.300 . 1 . . . . 28 GLU CG . 10026 1 336 . 1 1 28 28 GLU N N 15 122.940 0.300 . 1 . . . . 28 GLU N . 10026 1 337 . 1 1 29 29 ASN H H 1 8.253 0.030 . 1 . . . . 29 ASN H . 10026 1 338 . 1 1 29 29 ASN HA H 1 5.646 0.030 . 1 . . . . 29 ASN HA . 10026 1 339 . 1 1 29 29 ASN HB2 H 1 2.725 0.030 . 2 . . . . 29 ASN HB2 . 10026 1 340 . 1 1 29 29 ASN HB3 H 1 2.290 0.030 . 2 . . . . 29 ASN HB3 . 10026 1 341 . 1 1 29 29 ASN HD21 H 1 7.444 0.030 . 2 . . . . 29 ASN HD21 . 10026 1 342 . 1 1 29 29 ASN HD22 H 1 6.972 0.030 . 2 . . . . 29 ASN HD22 . 10026 1 343 . 1 1 29 29 ASN C C 13 174.505 0.300 . 1 . . . . 29 ASN C . 10026 1 344 . 1 1 29 29 ASN CA C 13 52.597 0.300 . 1 . . . . 29 ASN CA . 10026 1 345 . 1 1 29 29 ASN CB C 13 42.457 0.300 . 1 . . . . 29 ASN CB . 10026 1 346 . 1 1 29 29 ASN N N 15 119.205 0.300 . 1 . . . . 29 ASN N . 10026 1 347 . 1 1 29 29 ASN ND2 N 15 113.225 0.300 . 1 . . . . 29 ASN ND2 . 10026 1 348 . 1 1 30 30 LEU H H 1 9.175 0.030 . 1 . . . . 30 LEU H . 10026 1 349 . 1 1 30 30 LEU HA H 1 4.784 0.030 . 1 . . . . 30 LEU HA . 10026 1 350 . 1 1 30 30 LEU HB2 H 1 1.696 0.030 . 2 . . . . 30 LEU HB2 . 10026 1 351 . 1 1 30 30 LEU HB3 H 1 1.259 0.030 . 2 . . . . 30 LEU HB3 . 10026 1 352 . 1 1 30 30 LEU HG H 1 0.504 0.030 . 1 . . . . 30 LEU HG . 10026 1 353 . 1 1 30 30 LEU HD11 H 1 0.816 0.030 . 1 . . . . 30 LEU HD1 . 10026 1 354 . 1 1 30 30 LEU HD12 H 1 0.816 0.030 . 1 . . . . 30 LEU HD1 . 10026 1 355 . 1 1 30 30 LEU HD13 H 1 0.816 0.030 . 1 . . . . 30 LEU HD1 . 10026 1 356 . 1 1 30 30 LEU HD21 H 1 0.816 0.030 . 1 . . . . 30 LEU HD2 . 10026 1 357 . 1 1 30 30 LEU HD22 H 1 0.816 0.030 . 1 . . . . 30 LEU HD2 . 10026 1 358 . 1 1 30 30 LEU HD23 H 1 0.816 0.030 . 1 . . . . 30 LEU HD2 . 10026 1 359 . 1 1 30 30 LEU C C 13 175.136 0.300 . 1 . . . . 30 LEU C . 10026 1 360 . 1 1 30 30 LEU CA C 13 53.806 0.300 . 1 . . . . 30 LEU CA . 10026 1 361 . 1 1 30 30 LEU CB C 13 46.801 0.300 . 1 . . . . 30 LEU CB . 10026 1 362 . 1 1 30 30 LEU CG C 13 26.314 0.300 . 1 . . . . 30 LEU CG . 10026 1 363 . 1 1 30 30 LEU CD1 C 13 23.378 0.300 . 1 . . . . 30 LEU CD1 . 10026 1 364 . 1 1 30 30 LEU CD2 C 13 23.378 0.300 . 1 . . . . 30 LEU CD2 . 10026 1 365 . 1 1 30 30 LEU N N 15 121.051 0.300 . 1 . . . . 30 LEU N . 10026 1 366 . 1 1 31 31 TYR H H 1 8.793 0.030 . 1 . . . . 31 TYR H . 10026 1 367 . 1 1 31 31 TYR HA H 1 5.371 0.030 . 1 . . . . 31 TYR HA . 10026 1 368 . 1 1 31 31 TYR HB2 H 1 2.861 0.030 . 1 . . . . 31 TYR HB2 . 10026 1 369 . 1 1 31 31 TYR HB3 H 1 2.861 0.030 . 1 . . . . 31 TYR HB3 . 10026 1 370 . 1 1 31 31 TYR HD1 H 1 6.974 0.030 . 1 . . . . 31 TYR HD1 . 10026 1 371 . 1 1 31 31 TYR HD2 H 1 6.974 0.030 . 1 . . . . 31 TYR HD2 . 10026 1 372 . 1 1 31 31 TYR HE1 H 1 6.740 0.030 . 1 . . . . 31 TYR HE1 . 10026 1 373 . 1 1 31 31 TYR HE2 H 1 6.740 0.030 . 1 . . . . 31 TYR HE2 . 10026 1 374 . 1 1 31 31 TYR C C 13 174.383 0.300 . 1 . . . . 31 TYR C . 10026 1 375 . 1 1 31 31 TYR CA C 13 57.635 0.300 . 1 . . . . 31 TYR CA . 10026 1 376 . 1 1 31 31 TYR CB C 13 40.446 0.300 . 1 . . . . 31 TYR CB . 10026 1 377 . 1 1 31 31 TYR CD1 C 13 133.010 0.300 . 1 . . . . 31 TYR CD1 . 10026 1 378 . 1 1 31 31 TYR CD2 C 13 133.010 0.300 . 1 . . . . 31 TYR CD2 . 10026 1 379 . 1 1 31 31 TYR CE1 C 13 117.907 0.300 . 1 . . . . 31 TYR CE1 . 10026 1 380 . 1 1 31 31 TYR CE2 C 13 117.907 0.300 . 1 . . . . 31 TYR CE2 . 10026 1 381 . 1 1 31 31 TYR N N 15 121.876 0.300 . 1 . . . . 31 TYR N . 10026 1 382 . 1 1 32 32 PHE H H 1 8.952 0.030 . 1 . . . . 32 PHE H . 10026 1 383 . 1 1 32 32 PHE HA H 1 5.155 0.030 . 1 . . . . 32 PHE HA . 10026 1 384 . 1 1 32 32 PHE HB2 H 1 3.001 0.030 . 2 . . . . 32 PHE HB2 . 10026 1 385 . 1 1 32 32 PHE HB3 H 1 2.747 0.030 . 2 . . . . 32 PHE HB3 . 10026 1 386 . 1 1 32 32 PHE HD1 H 1 6.901 0.030 . 1 . . . . 32 PHE HD1 . 10026 1 387 . 1 1 32 32 PHE HD2 H 1 6.901 0.030 . 1 . . . . 32 PHE HD2 . 10026 1 388 . 1 1 32 32 PHE HE1 H 1 6.609 0.030 . 1 . . . . 32 PHE HE1 . 10026 1 389 . 1 1 32 32 PHE HE2 H 1 6.609 0.030 . 1 . . . . 32 PHE HE2 . 10026 1 390 . 1 1 32 32 PHE HZ H 1 6.660 0.030 . 1 . . . . 32 PHE HZ . 10026 1 391 . 1 1 32 32 PHE C C 13 174.481 0.300 . 1 . . . . 32 PHE C . 10026 1 392 . 1 1 32 32 PHE CA C 13 56.054 0.300 . 1 . . . . 32 PHE CA . 10026 1 393 . 1 1 32 32 PHE CB C 13 44.561 0.300 . 1 . . . . 32 PHE CB . 10026 1 394 . 1 1 32 32 PHE CD1 C 13 132.050 0.300 . 1 . . . . 32 PHE CD1 . 10026 1 395 . 1 1 32 32 PHE CD2 C 13 132.050 0.300 . 1 . . . . 32 PHE CD2 . 10026 1 396 . 1 1 32 32 PHE CE1 C 13 131.320 0.300 . 1 . . . . 32 PHE CE1 . 10026 1 397 . 1 1 32 32 PHE CE2 C 13 131.320 0.300 . 1 . . . . 32 PHE CE2 . 10026 1 398 . 1 1 32 32 PHE CZ C 13 128.540 0.300 . 1 . . . . 32 PHE CZ . 10026 1 399 . 1 1 32 32 PHE N N 15 121.897 0.300 . 1 . . . . 32 PHE N . 10026 1 400 . 1 1 33 33 GLN H H 1 9.168 0.030 . 1 . . . . 33 GLN H . 10026 1 401 . 1 1 33 33 GLN HA H 1 5.037 0.030 . 1 . . . . 33 GLN HA . 10026 1 402 . 1 1 33 33 GLN HB2 H 1 2.125 0.030 . 2 . . . . 33 GLN HB2 . 10026 1 403 . 1 1 33 33 GLN HB3 H 1 2.069 0.030 . 2 . . . . 33 GLN HB3 . 10026 1 404 . 1 1 33 33 GLN HG2 H 1 2.377 0.030 . 2 . . . . 33 GLN HG2 . 10026 1 405 . 1 1 33 33 GLN HG3 H 1 2.331 0.030 . 2 . . . . 33 GLN HG3 . 10026 1 406 . 1 1 33 33 GLN HE21 H 1 7.441 0.030 . 2 . . . . 33 GLN HE21 . 10026 1 407 . 1 1 33 33 GLN HE22 H 1 6.729 0.030 . 2 . . . . 33 GLN HE22 . 10026 1 408 . 1 1 33 33 GLN C C 13 175.234 0.300 . 1 . . . . 33 GLN C . 10026 1 409 . 1 1 33 33 GLN CA C 13 55.351 0.300 . 1 . . . . 33 GLN CA . 10026 1 410 . 1 1 33 33 GLN CB C 13 32.235 0.300 . 1 . . . . 33 GLN CB . 10026 1 411 . 1 1 33 33 GLN CG C 13 33.858 0.300 . 1 . . . . 33 GLN CG . 10026 1 412 . 1 1 33 33 GLN N N 15 119.418 0.300 . 1 . . . . 33 GLN N . 10026 1 413 . 1 1 33 33 GLN NE2 N 15 111.761 0.300 . 1 . . . . 33 GLN NE2 . 10026 1 414 . 1 1 34 34 GLY H H 1 8.840 0.030 . 1 . . . . 34 GLY H . 10026 1 415 . 1 1 34 34 GLY HA2 H 1 4.445 0.030 . 2 . . . . 34 GLY HA2 . 10026 1 416 . 1 1 34 34 GLY HA3 H 1 4.101 0.030 . 2 . . . . 34 GLY HA3 . 10026 1 417 . 1 1 34 34 GLY C C 13 172.562 0.300 . 1 . . . . 34 GLY C . 10026 1 418 . 1 1 34 34 GLY CA C 13 45.269 0.300 . 1 . . . . 34 GLY CA . 10026 1 419 . 1 1 34 34 GLY N N 15 110.974 0.300 . 1 . . . . 34 GLY N . 10026 1 420 . 1 1 35 35 SER H H 1 8.359 0.030 . 1 . . . . 35 SER H . 10026 1 421 . 1 1 35 35 SER HA H 1 4.756 0.030 . 1 . . . . 35 SER HA . 10026 1 422 . 1 1 35 35 SER HB2 H 1 3.970 0.030 . 2 . . . . 35 SER HB2 . 10026 1 423 . 1 1 35 35 SER HB3 H 1 3.906 0.030 . 2 . . . . 35 SER HB3 . 10026 1 424 . 1 1 35 35 SER C C 13 174.505 0.300 . 1 . . . . 35 SER C . 10026 1 425 . 1 1 35 35 SER CA C 13 57.881 0.300 . 1 . . . . 35 SER CA . 10026 1 426 . 1 1 35 35 SER CB C 13 64.548 0.300 . 1 . . . . 35 SER CB . 10026 1 427 . 1 1 35 35 SER N N 15 114.541 0.300 . 1 . . . . 35 SER N . 10026 1 428 . 1 1 36 36 SER H H 1 8.404 0.030 . 1 . . . . 36 SER H . 10026 1 429 . 1 1 36 36 SER HA H 1 4.588 0.030 . 1 . . . . 36 SER HA . 10026 1 430 . 1 1 36 36 SER HB2 H 1 3.928 0.030 . 2 . . . . 36 SER HB2 . 10026 1 431 . 1 1 36 36 SER HB3 H 1 3.834 0.030 . 2 . . . . 36 SER HB3 . 10026 1 432 . 1 1 36 36 SER C C 13 174.673 0.300 . 1 . . . . 36 SER C . 10026 1 433 . 1 1 36 36 SER CA C 13 58.327 0.300 . 1 . . . . 36 SER CA . 10026 1 434 . 1 1 36 36 SER CB C 13 64.086 0.300 . 1 . . . . 36 SER CB . 10026 1 435 . 1 1 37 37 GLY H H 1 8.397 0.030 . 1 . . . . 37 GLY H . 10026 1 436 . 1 1 37 37 GLY HA2 H 1 4.170 0.030 . 2 . . . . 37 GLY HA2 . 10026 1 437 . 1 1 37 37 GLY HA3 H 1 3.997 0.030 . 2 . . . . 37 GLY HA3 . 10026 1 438 . 1 1 37 37 GLY C C 13 174.286 0.300 . 1 . . . . 37 GLY C . 10026 1 439 . 1 1 37 37 GLY CA C 13 45.216 0.300 . 1 . . . . 37 GLY CA . 10026 1 440 . 1 1 37 37 GLY N N 15 110.379 0.300 . 1 . . . . 37 GLY N . 10026 1 441 . 1 1 38 38 SER H H 1 8.652 0.030 . 1 . . . . 38 SER H . 10026 1 442 . 1 1 38 38 SER HA H 1 4.575 0.030 . 1 . . . . 38 SER HA . 10026 1 443 . 1 1 38 38 SER HB2 H 1 4.178 0.030 . 2 . . . . 38 SER HB2 . 10026 1 444 . 1 1 38 38 SER HB3 H 1 4.004 0.030 . 2 . . . . 38 SER HB3 . 10026 1 445 . 1 1 38 38 SER C C 13 175.841 0.300 . 1 . . . . 38 SER C . 10026 1 446 . 1 1 38 38 SER CA C 13 57.846 0.300 . 1 . . . . 38 SER CA . 10026 1 447 . 1 1 38 38 SER CB C 13 64.612 0.300 . 1 . . . . 38 SER CB . 10026 1 448 . 1 1 38 38 SER N N 15 116.151 0.300 . 1 . . . . 38 SER N . 10026 1 449 . 1 1 39 39 SER H H 1 8.934 0.030 . 1 . . . . 39 SER H . 10026 1 450 . 1 1 39 39 SER HA H 1 4.161 0.030 . 1 . . . . 39 SER HA . 10026 1 451 . 1 1 39 39 SER HB2 H 1 3.635 0.030 . 2 . . . . 39 SER HB2 . 10026 1 452 . 1 1 39 39 SER HB3 H 1 3.506 0.030 . 2 . . . . 39 SER HB3 . 10026 1 453 . 1 1 39 39 SER C C 13 176.241 0.300 . 1 . . . . 39 SER C . 10026 1 454 . 1 1 39 39 SER CA C 13 61.114 0.300 . 1 . . . . 39 SER CA . 10026 1 455 . 1 1 39 39 SER CB C 13 62.897 0.300 . 1 . . . . 39 SER CB . 10026 1 456 . 1 1 39 39 SER N N 15 119.631 0.300 . 1 . . . . 39 SER N . 10026 1 457 . 1 1 40 40 GLY H H 1 8.472 0.030 . 1 . . . . 40 GLY H . 10026 1 458 . 1 1 40 40 GLY HA2 H 1 4.035 0.030 . 2 . . . . 40 GLY HA2 . 10026 1 459 . 1 1 40 40 GLY HA3 H 1 3.958 0.030 . 2 . . . . 40 GLY HA3 . 10026 1 460 . 1 1 40 40 GLY C C 13 176.084 0.300 . 1 . . . . 40 GLY C . 10026 1 461 . 1 1 40 40 GLY CA C 13 46.744 0.300 . 1 . . . . 40 GLY CA . 10026 1 462 . 1 1 40 40 GLY N N 15 109.891 0.300 . 1 . . . . 40 GLY N . 10026 1 463 . 1 1 41 41 ASP H H 1 7.980 0.030 . 1 . . . . 41 ASP H . 10026 1 464 . 1 1 41 41 ASP HA H 1 4.555 0.030 . 1 . . . . 41 ASP HA . 10026 1 465 . 1 1 41 41 ASP HB2 H 1 2.808 0.030 . 1 . . . . 41 ASP HB2 . 10026 1 466 . 1 1 41 41 ASP HB3 H 1 2.808 0.030 . 1 . . . . 41 ASP HB3 . 10026 1 467 . 1 1 41 41 ASP C C 13 177.881 0.300 . 1 . . . . 41 ASP C . 10026 1 468 . 1 1 41 41 ASP CA C 13 56.160 0.300 . 1 . . . . 41 ASP CA . 10026 1 469 . 1 1 41 41 ASP CB C 13 40.507 0.300 . 1 . . . . 41 ASP CB . 10026 1 470 . 1 1 41 41 ASP N N 15 123.016 0.300 . 1 . . . . 41 ASP N . 10026 1 471 . 1 1 42 42 MET H H 1 8.183 0.030 . 1 . . . . 42 MET H . 10026 1 472 . 1 1 42 42 MET HA H 1 4.347 0.030 . 1 . . . . 42 MET HA . 10026 1 473 . 1 1 42 42 MET HB2 H 1 2.171 0.030 . 2 . . . . 42 MET HB2 . 10026 1 474 . 1 1 42 42 MET HB3 H 1 2.118 0.030 . 2 . . . . 42 MET HB3 . 10026 1 475 . 1 1 42 42 MET HG2 H 1 2.542 0.030 . 2 . . . . 42 MET HG2 . 10026 1 476 . 1 1 42 42 MET HG3 H 1 2.473 0.030 . 2 . . . . 42 MET HG3 . 10026 1 477 . 1 1 42 42 MET HE1 H 1 2.012 0.030 . 1 . . . . 42 MET HE . 10026 1 478 . 1 1 42 42 MET HE2 H 1 2.012 0.030 . 1 . . . . 42 MET HE . 10026 1 479 . 1 1 42 42 MET HE3 H 1 2.012 0.030 . 1 . . . . 42 MET HE . 10026 1 480 . 1 1 42 42 MET C C 13 178.343 0.300 . 1 . . . . 42 MET C . 10026 1 481 . 1 1 42 42 MET CA C 13 57.776 0.300 . 1 . . . . 42 MET CA . 10026 1 482 . 1 1 42 42 MET CB C 13 32.255 0.300 . 1 . . . . 42 MET CB . 10026 1 483 . 1 1 42 42 MET CG C 13 32.419 0.300 . 1 . . . . 42 MET CG . 10026 1 484 . 1 1 42 42 MET CE C 13 17.867 0.300 . 1 . . . . 42 MET CE . 10026 1 485 . 1 1 42 42 MET N N 15 121.335 0.300 . 1 . . . . 42 MET N . 10026 1 486 . 1 1 43 43 MET H H 1 8.247 0.030 . 1 . . . . 43 MET H . 10026 1 487 . 1 1 43 43 MET HA H 1 4.388 0.030 . 1 . . . . 43 MET HA . 10026 1 488 . 1 1 43 43 MET HB2 H 1 2.368 0.030 . 2 . . . . 43 MET HB2 . 10026 1 489 . 1 1 43 43 MET HB3 H 1 2.105 0.030 . 2 . . . . 43 MET HB3 . 10026 1 490 . 1 1 43 43 MET HG2 H 1 2.960 0.030 . 2 . . . . 43 MET HG2 . 10026 1 491 . 1 1 43 43 MET HG3 H 1 2.830 0.030 . 2 . . . . 43 MET HG3 . 10026 1 492 . 1 1 43 43 MET HE1 H 1 1.961 0.030 . 1 . . . . 43 MET HE . 10026 1 493 . 1 1 43 43 MET HE2 H 1 1.961 0.030 . 1 . . . . 43 MET HE . 10026 1 494 . 1 1 43 43 MET HE3 H 1 1.961 0.030 . 1 . . . . 43 MET HE . 10026 1 495 . 1 1 43 43 MET C C 13 178.246 0.300 . 1 . . . . 43 MET C . 10026 1 496 . 1 1 43 43 MET CA C 13 57.073 0.300 . 1 . . . . 43 MET CA . 10026 1 497 . 1 1 43 43 MET CB C 13 30.069 0.300 . 1 . . . . 43 MET CB . 10026 1 498 . 1 1 43 43 MET CG C 13 32.528 0.300 . 1 . . . . 43 MET CG . 10026 1 499 . 1 1 43 43 MET CE C 13 15.690 0.300 . 1 . . . . 43 MET CE . 10026 1 500 . 1 1 43 43 MET N N 15 116.933 0.300 . 1 . . . . 43 MET N . 10026 1 501 . 1 1 44 44 ARG H H 1 7.699 0.030 . 1 . . . . 44 ARG H . 10026 1 502 . 1 1 44 44 ARG HA H 1 3.944 0.030 . 1 . . . . 44 ARG HA . 10026 1 503 . 1 1 44 44 ARG HB2 H 1 2.067 0.030 . 2 . . . . 44 ARG HB2 . 10026 1 504 . 1 1 44 44 ARG HB3 H 1 1.984 0.030 . 2 . . . . 44 ARG HB3 . 10026 1 505 . 1 1 44 44 ARG HG2 H 1 1.826 0.030 . 2 . . . . 44 ARG HG2 . 10026 1 506 . 1 1 44 44 ARG HG3 H 1 1.550 0.030 . 2 . . . . 44 ARG HG3 . 10026 1 507 . 1 1 44 44 ARG HD2 H 1 3.293 0.030 . 1 . . . . 44 ARG HD2 . 10026 1 508 . 1 1 44 44 ARG HD3 H 1 3.293 0.030 . 1 . . . . 44 ARG HD3 . 10026 1 509 . 1 1 44 44 ARG HE H 1 7.341 0.030 . 1 . . . . 44 ARG HE . 10026 1 510 . 1 1 44 44 ARG C C 13 179.411 0.300 . 1 . . . . 44 ARG C . 10026 1 511 . 1 1 44 44 ARG CA C 13 59.938 0.300 . 1 . . . . 44 ARG CA . 10026 1 512 . 1 1 44 44 ARG CB C 13 30.059 0.300 . 1 . . . . 44 ARG CB . 10026 1 513 . 1 1 44 44 ARG CG C 13 27.798 0.300 . 1 . . . . 44 ARG CG . 10026 1 514 . 1 1 44 44 ARG CD C 13 43.447 0.300 . 1 . . . . 44 ARG CD . 10026 1 515 . 1 1 44 44 ARG N N 15 119.557 0.300 . 1 . . . . 44 ARG N . 10026 1 516 . 1 1 44 44 ARG NE N 15 109.310 0.300 . 1 . . . . 44 ARG NE . 10026 1 517 . 1 1 45 45 GLU H H 1 7.953 0.030 . 1 . . . . 45 GLU H . 10026 1 518 . 1 1 45 45 GLU HA H 1 4.077 0.030 . 1 . . . . 45 GLU HA . 10026 1 519 . 1 1 45 45 GLU HB2 H 1 2.147 0.030 . 2 . . . . 45 GLU HB2 . 10026 1 520 . 1 1 45 45 GLU HB3 H 1 2.120 0.030 . 2 . . . . 45 GLU HB3 . 10026 1 521 . 1 1 45 45 GLU HG2 H 1 2.462 0.030 . 1 . . . . 45 GLU HG2 . 10026 1 522 . 1 1 45 45 GLU HG3 H 1 2.462 0.030 . 1 . . . . 45 GLU HG3 . 10026 1 523 . 1 1 45 45 GLU C C 13 178.901 0.300 . 1 . . . . 45 GLU C . 10026 1 524 . 1 1 45 45 GLU CA C 13 59.011 0.300 . 1 . . . . 45 GLU CA . 10026 1 525 . 1 1 45 45 GLU CB C 13 28.664 0.300 . 1 . . . . 45 GLU CB . 10026 1 526 . 1 1 45 45 GLU CG C 13 34.849 0.300 . 1 . . . . 45 GLU CG . 10026 1 527 . 1 1 45 45 GLU N N 15 120.046 0.300 . 1 . . . . 45 GLU N . 10026 1 528 . 1 1 46 46 ILE H H 1 8.782 0.030 . 1 . . . . 46 ILE H . 10026 1 529 . 1 1 46 46 ILE HA H 1 3.421 0.030 . 1 . . . . 46 ILE HA . 10026 1 530 . 1 1 46 46 ILE HB H 1 1.889 0.030 . 1 . . . . 46 ILE HB . 10026 1 531 . 1 1 46 46 ILE HG12 H 1 1.916 0.030 . 2 . . . . 46 ILE HG12 . 10026 1 532 . 1 1 46 46 ILE HG13 H 1 0.669 0.030 . 2 . . . . 46 ILE HG13 . 10026 1 533 . 1 1 46 46 ILE HG21 H 1 0.570 0.030 . 1 . . . . 46 ILE HG2 . 10026 1 534 . 1 1 46 46 ILE HG22 H 1 0.570 0.030 . 1 . . . . 46 ILE HG2 . 10026 1 535 . 1 1 46 46 ILE HG23 H 1 0.570 0.030 . 1 . . . . 46 ILE HG2 . 10026 1 536 . 1 1 46 46 ILE HD11 H 1 0.664 0.030 . 1 . . . . 46 ILE HD1 . 10026 1 537 . 1 1 46 46 ILE HD12 H 1 0.664 0.030 . 1 . . . . 46 ILE HD1 . 10026 1 538 . 1 1 46 46 ILE HD13 H 1 0.664 0.030 . 1 . . . . 46 ILE HD1 . 10026 1 539 . 1 1 46 46 ILE C C 13 177.444 0.300 . 1 . . . . 46 ILE C . 10026 1 540 . 1 1 46 46 ILE CA C 13 66.489 0.300 . 1 . . . . 46 ILE CA . 10026 1 541 . 1 1 46 46 ILE CB C 13 37.840 0.300 . 1 . . . . 46 ILE CB . 10026 1 542 . 1 1 46 46 ILE CG1 C 13 30.582 0.300 . 1 . . . . 46 ILE CG1 . 10026 1 543 . 1 1 46 46 ILE CG2 C 13 19.204 0.300 . 1 . . . . 46 ILE CG2 . 10026 1 544 . 1 1 46 46 ILE CD1 C 13 14.824 0.300 . 1 . . . . 46 ILE CD1 . 10026 1 545 . 1 1 46 46 ILE N N 15 119.752 0.300 . 1 . . . . 46 ILE N . 10026 1 546 . 1 1 47 47 ARG H H 1 8.059 0.030 . 1 . . . . 47 ARG H . 10026 1 547 . 1 1 47 47 ARG HA H 1 3.335 0.030 . 1 . . . . 47 ARG HA . 10026 1 548 . 1 1 47 47 ARG HB2 H 1 1.846 0.030 . 1 . . . . 47 ARG HB2 . 10026 1 549 . 1 1 47 47 ARG HB3 H 1 1.846 0.030 . 1 . . . . 47 ARG HB3 . 10026 1 550 . 1 1 47 47 ARG HG2 H 1 1.834 0.030 . 2 . . . . 47 ARG HG2 . 10026 1 551 . 1 1 47 47 ARG HG3 H 1 0.908 0.030 . 2 . . . . 47 ARG HG3 . 10026 1 552 . 1 1 47 47 ARG HD2 H 1 3.322 0.030 . 2 . . . . 47 ARG HD2 . 10026 1 553 . 1 1 47 47 ARG HD3 H 1 3.276 0.030 . 2 . . . . 47 ARG HD3 . 10026 1 554 . 1 1 47 47 ARG HE H 1 7.402 0.030 . 1 . . . . 47 ARG HE . 10026 1 555 . 1 1 47 47 ARG C C 13 179.290 0.300 . 1 . . . . 47 ARG C . 10026 1 556 . 1 1 47 47 ARG CA C 13 61.219 0.300 . 1 . . . . 47 ARG CA . 10026 1 557 . 1 1 47 47 ARG CB C 13 30.304 0.300 . 1 . . . . 47 ARG CB . 10026 1 558 . 1 1 47 47 ARG CG C 13 29.098 0.300 . 1 . . . . 47 ARG CG . 10026 1 559 . 1 1 47 47 ARG CD C 13 43.607 0.300 . 1 . . . . 47 ARG CD . 10026 1 560 . 1 1 47 47 ARG N N 15 117.548 0.300 . 1 . . . . 47 ARG N . 10026 1 561 . 1 1 47 47 ARG NE N 15 109.337 0.300 . 1 . . . . 47 ARG NE . 10026 1 562 . 1 1 48 48 LYS H H 1 7.587 0.030 . 1 . . . . 48 LYS H . 10026 1 563 . 1 1 48 48 LYS HA H 1 4.090 0.030 . 1 . . . . 48 LYS HA . 10026 1 564 . 1 1 48 48 LYS HB2 H 1 2.085 0.030 . 2 . . . . 48 LYS HB2 . 10026 1 565 . 1 1 48 48 LYS HB3 H 1 1.981 0.030 . 2 . . . . 48 LYS HB3 . 10026 1 566 . 1 1 48 48 LYS HG2 H 1 1.618 0.030 . 2 . . . . 48 LYS HG2 . 10026 1 567 . 1 1 48 48 LYS HG3 H 1 1.390 0.030 . 2 . . . . 48 LYS HG3 . 10026 1 568 . 1 1 48 48 LYS HD2 H 1 1.735 0.030 . 1 . . . . 48 LYS HD2 . 10026 1 569 . 1 1 48 48 LYS HD3 H 1 1.735 0.030 . 1 . . . . 48 LYS HD3 . 10026 1 570 . 1 1 48 48 LYS HE2 H 1 2.976 0.030 . 1 . . . . 48 LYS HE2 . 10026 1 571 . 1 1 48 48 LYS HE3 H 1 2.976 0.030 . 1 . . . . 48 LYS HE3 . 10026 1 572 . 1 1 48 48 LYS C C 13 179.436 0.300 . 1 . . . . 48 LYS C . 10026 1 573 . 1 1 48 48 LYS CA C 13 59.814 0.300 . 1 . . . . 48 LYS CA . 10026 1 574 . 1 1 48 48 LYS CB C 13 32.391 0.300 . 1 . . . . 48 LYS CB . 10026 1 575 . 1 1 48 48 LYS CG C 13 24.646 0.300 . 1 . . . . 48 LYS CG . 10026 1 576 . 1 1 48 48 LYS CD C 13 29.477 0.300 . 1 . . . . 48 LYS CD . 10026 1 577 . 1 1 48 48 LYS CE C 13 42.008 0.300 . 1 . . . . 48 LYS CE . 10026 1 578 . 1 1 48 48 LYS N N 15 120.211 0.300 . 1 . . . . 48 LYS N . 10026 1 579 . 1 1 49 49 VAL H H 1 8.233 0.030 . 1 . . . . 49 VAL H . 10026 1 580 . 1 1 49 49 VAL HA H 1 3.817 0.030 . 1 . . . . 49 VAL HA . 10026 1 581 . 1 1 49 49 VAL HB H 1 2.049 0.030 . 1 . . . . 49 VAL HB . 10026 1 582 . 1 1 49 49 VAL HG11 H 1 1.050 0.030 . 1 . . . . 49 VAL HG1 . 10026 1 583 . 1 1 49 49 VAL HG12 H 1 1.050 0.030 . 1 . . . . 49 VAL HG1 . 10026 1 584 . 1 1 49 49 VAL HG13 H 1 1.050 0.030 . 1 . . . . 49 VAL HG1 . 10026 1 585 . 1 1 49 49 VAL HG21 H 1 1.034 0.030 . 1 . . . . 49 VAL HG2 . 10026 1 586 . 1 1 49 49 VAL HG22 H 1 1.034 0.030 . 1 . . . . 49 VAL HG2 . 10026 1 587 . 1 1 49 49 VAL HG23 H 1 1.034 0.030 . 1 . . . . 49 VAL HG2 . 10026 1 588 . 1 1 49 49 VAL C C 13 179.557 0.300 . 1 . . . . 49 VAL C . 10026 1 589 . 1 1 49 49 VAL CA C 13 66.419 0.300 . 1 . . . . 49 VAL CA . 10026 1 590 . 1 1 49 49 VAL CB C 13 32.147 0.300 . 1 . . . . 49 VAL CB . 10026 1 591 . 1 1 49 49 VAL CG1 C 13 23.699 0.300 . 2 . . . . 49 VAL CG1 . 10026 1 592 . 1 1 49 49 VAL CG2 C 13 23.059 0.300 . 2 . . . . 49 VAL CG2 . 10026 1 593 . 1 1 49 49 VAL N N 15 121.388 0.300 . 1 . . . . 49 VAL N . 10026 1 594 . 1 1 50 50 LEU H H 1 9.090 0.030 . 1 . . . . 50 LEU H . 10026 1 595 . 1 1 50 50 LEU HA H 1 4.095 0.030 . 1 . . . . 50 LEU HA . 10026 1 596 . 1 1 50 50 LEU HB2 H 1 1.860 0.030 . 2 . . . . 50 LEU HB2 . 10026 1 597 . 1 1 50 50 LEU HB3 H 1 1.356 0.030 . 2 . . . . 50 LEU HB3 . 10026 1 598 . 1 1 50 50 LEU HG H 1 1.844 0.030 . 1 . . . . 50 LEU HG . 10026 1 599 . 1 1 50 50 LEU HD11 H 1 0.452 0.030 . 1 . . . . 50 LEU HD1 . 10026 1 600 . 1 1 50 50 LEU HD12 H 1 0.452 0.030 . 1 . . . . 50 LEU HD1 . 10026 1 601 . 1 1 50 50 LEU HD13 H 1 0.452 0.030 . 1 . . . . 50 LEU HD1 . 10026 1 602 . 1 1 50 50 LEU HD21 H 1 1.043 0.030 . 1 . . . . 50 LEU HD2 . 10026 1 603 . 1 1 50 50 LEU HD22 H 1 1.043 0.030 . 1 . . . . 50 LEU HD2 . 10026 1 604 . 1 1 50 50 LEU HD23 H 1 1.043 0.030 . 1 . . . . 50 LEU HD2 . 10026 1 605 . 1 1 50 50 LEU C C 13 180.480 0.300 . 1 . . . . 50 LEU C . 10026 1 606 . 1 1 50 50 LEU CA C 13 58.775 0.300 . 1 . . . . 50 LEU CA . 10026 1 607 . 1 1 50 50 LEU CB C 13 41.520 0.300 . 1 . . . . 50 LEU CB . 10026 1 608 . 1 1 50 50 LEU CG C 13 27.075 0.300 . 1 . . . . 50 LEU CG . 10026 1 609 . 1 1 50 50 LEU CD1 C 13 28.257 0.300 . 2 . . . . 50 LEU CD1 . 10026 1 610 . 1 1 50 50 LEU CD2 C 13 23.379 0.300 . 2 . . . . 50 LEU CD2 . 10026 1 611 . 1 1 50 50 LEU N N 15 122.673 0.300 . 1 . . . . 50 LEU N . 10026 1 612 . 1 1 51 51 GLY H H 1 8.203 0.030 . 1 . . . . 51 GLY H . 10026 1 613 . 1 1 51 51 GLY HA2 H 1 4.219 0.030 . 1 . . . . 51 GLY HA2 . 10026 1 614 . 1 1 51 51 GLY HA3 H 1 4.219 0.030 . 1 . . . . 51 GLY HA3 . 10026 1 615 . 1 1 51 51 GLY C C 13 177.590 0.300 . 1 . . . . 51 GLY C . 10026 1 616 . 1 1 51 51 GLY CA C 13 47.640 0.300 . 1 . . . . 51 GLY CA . 10026 1 617 . 1 1 51 51 GLY N N 15 106.536 0.300 . 1 . . . . 51 GLY N . 10026 1 618 . 1 1 52 52 ALA H H 1 8.151 0.030 . 1 . . . . 52 ALA H . 10026 1 619 . 1 1 52 52 ALA HA H 1 4.359 0.030 . 1 . . . . 52 ALA HA . 10026 1 620 . 1 1 52 52 ALA HB1 H 1 1.577 0.030 . 1 . . . . 52 ALA HB . 10026 1 621 . 1 1 52 52 ALA HB2 H 1 1.577 0.030 . 1 . . . . 52 ALA HB . 10026 1 622 . 1 1 52 52 ALA HB3 H 1 1.577 0.030 . 1 . . . . 52 ALA HB . 10026 1 623 . 1 1 52 52 ALA C C 13 178.318 0.300 . 1 . . . . 52 ALA C . 10026 1 624 . 1 1 52 52 ALA CA C 13 54.157 0.300 . 1 . . . . 52 ALA CA . 10026 1 625 . 1 1 52 52 ALA CB C 13 18.622 0.300 . 1 . . . . 52 ALA CB . 10026 1 626 . 1 1 52 52 ALA N N 15 124.217 0.300 . 1 . . . . 52 ALA N . 10026 1 627 . 1 1 53 53 ASN H H 1 7.526 0.030 . 1 . . . . 53 ASN H . 10026 1 628 . 1 1 53 53 ASN HA H 1 4.842 0.030 . 1 . . . . 53 ASN HA . 10026 1 629 . 1 1 53 53 ASN HB2 H 1 2.898 0.030 . 2 . . . . 53 ASN HB2 . 10026 1 630 . 1 1 53 53 ASN HB3 H 1 2.563 0.030 . 2 . . . . 53 ASN HB3 . 10026 1 631 . 1 1 53 53 ASN HD21 H 1 7.878 0.030 . 2 . . . . 53 ASN HD21 . 10026 1 632 . 1 1 53 53 ASN HD22 H 1 7.809 0.030 . 2 . . . . 53 ASN HD22 . 10026 1 633 . 1 1 53 53 ASN C C 13 173.339 0.300 . 1 . . . . 53 ASN C . 10026 1 634 . 1 1 53 53 ASN CA C 13 53.947 0.300 . 1 . . . . 53 ASN CA . 10026 1 635 . 1 1 53 53 ASN CB C 13 40.726 0.300 . 1 . . . . 53 ASN CB . 10026 1 636 . 1 1 53 53 ASN N N 15 114.796 0.300 . 1 . . . . 53 ASN N . 10026 1 637 . 1 1 53 53 ASN ND2 N 15 116.419 0.300 . 1 . . . . 53 ASN ND2 . 10026 1 638 . 1 1 54 54 ASN H H 1 8.228 0.030 . 1 . . . . 54 ASN H . 10026 1 639 . 1 1 54 54 ASN HA H 1 4.628 0.030 . 1 . . . . 54 ASN HA . 10026 1 640 . 1 1 54 54 ASN HB2 H 1 3.270 0.030 . 2 . . . . 54 ASN HB2 . 10026 1 641 . 1 1 54 54 ASN HB3 H 1 3.045 0.030 . 2 . . . . 54 ASN HB3 . 10026 1 642 . 1 1 54 54 ASN HD21 H 1 7.697 0.030 . 2 . . . . 54 ASN HD21 . 10026 1 643 . 1 1 54 54 ASN HD22 H 1 6.928 0.030 . 2 . . . . 54 ASN HD22 . 10026 1 644 . 1 1 54 54 ASN C C 13 174.942 0.300 . 1 . . . . 54 ASN C . 10026 1 645 . 1 1 54 54 ASN CA C 13 55.021 0.300 . 1 . . . . 54 ASN CA . 10026 1 646 . 1 1 54 54 ASN CB C 13 37.228 0.300 . 1 . . . . 54 ASN CB . 10026 1 647 . 1 1 54 54 ASN N N 15 114.319 0.300 . 1 . . . . 54 ASN N . 10026 1 648 . 1 1 54 54 ASN ND2 N 15 112.564 0.300 . 1 . . . . 54 ASN ND2 . 10026 1 649 . 1 1 55 55 CYS H H 1 8.276 0.030 . 1 . . . . 55 CYS H . 10026 1 650 . 1 1 55 55 CYS HA H 1 5.326 0.030 . 1 . . . . 55 CYS HA . 10026 1 651 . 1 1 55 55 CYS HB2 H 1 3.082 0.030 . 2 . . . . 55 CYS HB2 . 10026 1 652 . 1 1 55 55 CYS HB3 H 1 2.686 0.030 . 2 . . . . 55 CYS HB3 . 10026 1 653 . 1 1 55 55 CYS C C 13 174.651 0.300 . 1 . . . . 55 CYS C . 10026 1 654 . 1 1 55 55 CYS CA C 13 58.131 0.300 . 1 . . . . 55 CYS CA . 10026 1 655 . 1 1 55 55 CYS CB C 13 29.513 0.300 . 1 . . . . 55 CYS CB . 10026 1 656 . 1 1 55 55 CYS N N 15 114.944 0.300 . 1 . . . . 55 CYS N . 10026 1 657 . 1 1 56 56 ASP H H 1 8.507 0.030 . 1 . . . . 56 ASP H . 10026 1 658 . 1 1 56 56 ASP HA H 1 4.878 0.030 . 1 . . . . 56 ASP HA . 10026 1 659 . 1 1 56 56 ASP HB2 H 1 2.662 0.030 . 2 . . . . 56 ASP HB2 . 10026 1 660 . 1 1 56 56 ASP HB3 H 1 2.501 0.030 . 2 . . . . 56 ASP HB3 . 10026 1 661 . 1 1 56 56 ASP C C 13 174.796 0.300 . 1 . . . . 56 ASP C . 10026 1 662 . 1 1 56 56 ASP CA C 13 53.455 0.300 . 1 . . . . 56 ASP CA . 10026 1 663 . 1 1 56 56 ASP CB C 13 42.151 0.300 . 1 . . . . 56 ASP CB . 10026 1 664 . 1 1 56 56 ASP N N 15 124.045 0.300 . 1 . . . . 56 ASP N . 10026 1 665 . 1 1 57 57 TYR H H 1 8.008 0.030 . 1 . . . . 57 TYR H . 10026 1 666 . 1 1 57 57 TYR HA H 1 5.804 0.030 . 1 . . . . 57 TYR HA . 10026 1 667 . 1 1 57 57 TYR HB2 H 1 2.847 0.030 . 2 . . . . 57 TYR HB2 . 10026 1 668 . 1 1 57 57 TYR HB3 H 1 2.665 0.030 . 2 . . . . 57 TYR HB3 . 10026 1 669 . 1 1 57 57 TYR HD1 H 1 6.702 0.030 . 1 . . . . 57 TYR HD1 . 10026 1 670 . 1 1 57 57 TYR HD2 H 1 6.702 0.030 . 1 . . . . 57 TYR HD2 . 10026 1 671 . 1 1 57 57 TYR HE1 H 1 6.774 0.030 . 1 . . . . 57 TYR HE1 . 10026 1 672 . 1 1 57 57 TYR HE2 H 1 6.774 0.030 . 1 . . . . 57 TYR HE2 . 10026 1 673 . 1 1 57 57 TYR C C 13 173.898 0.300 . 1 . . . . 57 TYR C . 10026 1 674 . 1 1 57 57 TYR CA C 13 55.703 0.300 . 1 . . . . 57 TYR CA . 10026 1 675 . 1 1 57 57 TYR CB C 13 41.961 0.300 . 1 . . . . 57 TYR CB . 10026 1 676 . 1 1 57 57 TYR CD1 C 13 134.112 0.300 . 1 . . . . 57 TYR CD1 . 10026 1 677 . 1 1 57 57 TYR CD2 C 13 134.112 0.300 . 1 . . . . 57 TYR CD2 . 10026 1 678 . 1 1 57 57 TYR CE1 C 13 117.538 0.300 . 1 . . . . 57 TYR CE1 . 10026 1 679 . 1 1 57 57 TYR CE2 C 13 117.538 0.300 . 1 . . . . 57 TYR CE2 . 10026 1 680 . 1 1 57 57 TYR N N 15 115.660 0.300 . 1 . . . . 57 TYR N . 10026 1 681 . 1 1 58 58 GLU H H 1 9.162 0.030 . 1 . . . . 58 GLU H . 10026 1 682 . 1 1 58 58 GLU HA H 1 4.605 0.030 . 1 . . . . 58 GLU HA . 10026 1 683 . 1 1 58 58 GLU HB2 H 1 2.088 0.030 . 2 . . . . 58 GLU HB2 . 10026 1 684 . 1 1 58 58 GLU HB3 H 1 1.966 0.030 . 2 . . . . 58 GLU HB3 . 10026 1 685 . 1 1 58 58 GLU HG2 H 1 2.306 0.030 . 2 . . . . 58 GLU HG2 . 10026 1 686 . 1 1 58 58 GLU HG3 H 1 2.194 0.030 . 2 . . . . 58 GLU HG3 . 10026 1 687 . 1 1 58 58 GLU C C 13 175.331 0.300 . 1 . . . . 58 GLU C . 10026 1 688 . 1 1 58 58 GLU CA C 13 54.298 0.300 . 1 . . . . 58 GLU CA . 10026 1 689 . 1 1 58 58 GLU CB C 13 33.389 0.300 . 1 . . . . 58 GLU CB . 10026 1 690 . 1 1 58 58 GLU CG C 13 35.314 0.300 . 1 . . . . 58 GLU CG . 10026 1 691 . 1 1 58 58 GLU N N 15 118.581 0.300 . 1 . . . . 58 GLU N . 10026 1 692 . 1 1 59 59 GLN H H 1 9.430 0.030 . 1 . . . . 59 GLN H . 10026 1 693 . 1 1 59 59 GLN HA H 1 4.697 0.030 . 1 . . . . 59 GLN HA . 10026 1 694 . 1 1 59 59 GLN HB2 H 1 2.174 0.030 . 2 . . . . 59 GLN HB2 . 10026 1 695 . 1 1 59 59 GLN HB3 H 1 1.910 0.030 . 2 . . . . 59 GLN HB3 . 10026 1 696 . 1 1 59 59 GLN HG2 H 1 2.342 0.030 . 2 . . . . 59 GLN HG2 . 10026 1 697 . 1 1 59 59 GLN HG3 H 1 2.265 0.030 . 2 . . . . 59 GLN HG3 . 10026 1 698 . 1 1 59 59 GLN HE21 H 1 7.330 0.030 . 2 . . . . 59 GLN HE21 . 10026 1 699 . 1 1 59 59 GLN HE22 H 1 6.390 0.030 . 2 . . . . 59 GLN HE22 . 10026 1 700 . 1 1 59 59 GLN C C 13 175.282 0.300 . 1 . . . . 59 GLN C . 10026 1 701 . 1 1 59 59 GLN CA C 13 56.195 0.300 . 1 . . . . 59 GLN CA . 10026 1 702 . 1 1 59 59 GLN CB C 13 28.196 0.300 . 1 . . . . 59 GLN CB . 10026 1 703 . 1 1 59 59 GLN CG C 13 33.764 0.300 . 1 . . . . 59 GLN CG . 10026 1 704 . 1 1 59 59 GLN N N 15 127.563 0.300 . 1 . . . . 59 GLN N . 10026 1 705 . 1 1 59 59 GLN NE2 N 15 111.380 0.300 . 1 . . . . 59 GLN NE2 . 10026 1 706 . 1 1 60 60 ARG H H 1 8.349 0.030 . 1 . . . . 60 ARG H . 10026 1 707 . 1 1 60 60 ARG HA H 1 4.423 0.030 . 1 . . . . 60 ARG HA . 10026 1 708 . 1 1 60 60 ARG HB2 H 1 1.972 0.030 . 2 . . . . 60 ARG HB2 . 10026 1 709 . 1 1 60 60 ARG HB3 H 1 1.574 0.030 . 2 . . . . 60 ARG HB3 . 10026 1 710 . 1 1 60 60 ARG HG2 H 1 1.642 0.030 . 2 . . . . 60 ARG HG2 . 10026 1 711 . 1 1 60 60 ARG HG3 H 1 1.570 0.030 . 2 . . . . 60 ARG HG3 . 10026 1 712 . 1 1 60 60 ARG HD2 H 1 3.095 0.030 . 2 . . . . 60 ARG HD2 . 10026 1 713 . 1 1 60 60 ARG HD3 H 1 3.013 0.030 . 2 . . . . 60 ARG HD3 . 10026 1 714 . 1 1 60 60 ARG HE H 1 7.200 0.030 . 1 . . . . 60 ARG HE . 10026 1 715 . 1 1 60 60 ARG C C 13 175.914 0.300 . 1 . . . . 60 ARG C . 10026 1 716 . 1 1 60 60 ARG CA C 13 56.823 0.300 . 1 . . . . 60 ARG CA . 10026 1 717 . 1 1 60 60 ARG CB C 13 32.106 0.300 . 1 . . . . 60 ARG CB . 10026 1 718 . 1 1 60 60 ARG CG C 13 27.347 0.300 . 1 . . . . 60 ARG CG . 10026 1 719 . 1 1 60 60 ARG CD C 13 42.832 0.300 . 1 . . . . 60 ARG CD . 10026 1 720 . 1 1 60 60 ARG N N 15 127.939 0.300 . 1 . . . . 60 ARG N . 10026 1 721 . 1 1 60 60 ARG NE N 15 108.295 0.300 . 1 . . . . 60 ARG NE . 10026 1 722 . 1 1 61 61 GLU H H 1 8.315 0.030 . 1 . . . . 61 GLU H . 10026 1 723 . 1 1 61 61 GLU HA H 1 4.528 0.030 . 1 . . . . 61 GLU HA . 10026 1 724 . 1 1 61 61 GLU HB2 H 1 2.392 0.030 . 2 . . . . 61 GLU HB2 . 10026 1 725 . 1 1 61 61 GLU HB3 H 1 1.864 0.030 . 2 . . . . 61 GLU HB3 . 10026 1 726 . 1 1 61 61 GLU HG2 H 1 2.470 0.030 . 2 . . . . 61 GLU HG2 . 10026 1 727 . 1 1 61 61 GLU HG3 H 1 2.303 0.030 . 2 . . . . 61 GLU HG3 . 10026 1 728 . 1 1 61 61 GLU C C 13 176.230 0.300 . 1 . . . . 61 GLU C . 10026 1 729 . 1 1 61 61 GLU CA C 13 54.378 0.300 . 1 . . . . 61 GLU CA . 10026 1 730 . 1 1 61 61 GLU CB C 13 33.389 0.300 . 1 . . . . 61 GLU CB . 10026 1 731 . 1 1 61 61 GLU CG C 13 35.668 0.300 . 1 . . . . 61 GLU CG . 10026 1 732 . 1 1 61 61 GLU N N 15 115.992 0.300 . 1 . . . . 61 GLU N . 10026 1 733 . 1 1 62 62 ARG H H 1 8.813 0.030 . 1 . . . . 62 ARG H . 10026 1 734 . 1 1 62 62 ARG HA H 1 3.667 0.030 . 1 . . . . 62 ARG HA . 10026 1 735 . 1 1 62 62 ARG HB2 H 1 1.577 0.030 . 2 . . . . 62 ARG HB2 . 10026 1 736 . 1 1 62 62 ARG HB3 H 1 1.218 0.030 . 2 . . . . 62 ARG HB3 . 10026 1 737 . 1 1 62 62 ARG HG2 H 1 1.194 0.030 . 2 . . . . 62 ARG HG2 . 10026 1 738 . 1 1 62 62 ARG HG3 H 1 0.721 0.030 . 2 . . . . 62 ARG HG3 . 10026 1 739 . 1 1 62 62 ARG HD2 H 1 2.956 0.030 . 1 . . . . 62 ARG HD2 . 10026 1 740 . 1 1 62 62 ARG HD3 H 1 2.956 0.030 . 1 . . . . 62 ARG HD3 . 10026 1 741 . 1 1 62 62 ARG HE H 1 7.025 0.030 . 1 . . . . 62 ARG HE . 10026 1 742 . 1 1 62 62 ARG C C 13 176.327 0.300 . 1 . . . . 62 ARG C . 10026 1 743 . 1 1 62 62 ARG CA C 13 60.207 0.300 . 1 . . . . 62 ARG CA . 10026 1 744 . 1 1 62 62 ARG CB C 13 30.174 0.300 . 1 . . . . 62 ARG CB . 10026 1 745 . 1 1 62 62 ARG CG C 13 26.594 0.300 . 1 . . . . 62 ARG CG . 10026 1 746 . 1 1 62 62 ARG CD C 13 43.574 0.300 . 1 . . . . 62 ARG CD . 10026 1 747 . 1 1 62 62 ARG N N 15 120.821 0.300 . 1 . . . . 62 ARG N . 10026 1 748 . 1 1 62 62 ARG NE N 15 110.009 0.300 . 1 . . . . 62 ARG NE . 10026 1 749 . 1 1 63 63 PHE H H 1 8.032 0.030 . 1 . . . . 63 PHE H . 10026 1 750 . 1 1 63 63 PHE HA H 1 5.306 0.030 . 1 . . . . 63 PHE HA . 10026 1 751 . 1 1 63 63 PHE HB2 H 1 4.007 0.030 . 2 . . . . 63 PHE HB2 . 10026 1 752 . 1 1 63 63 PHE HB3 H 1 2.992 0.030 . 2 . . . . 63 PHE HB3 . 10026 1 753 . 1 1 63 63 PHE HD1 H 1 7.310 0.030 . 1 . . . . 63 PHE HD1 . 10026 1 754 . 1 1 63 63 PHE HD2 H 1 7.310 0.030 . 1 . . . . 63 PHE HD2 . 10026 1 755 . 1 1 63 63 PHE HE1 H 1 7.254 0.030 . 1 . . . . 63 PHE HE1 . 10026 1 756 . 1 1 63 63 PHE HE2 H 1 7.254 0.030 . 1 . . . . 63 PHE HE2 . 10026 1 757 . 1 1 63 63 PHE HZ H 1 7.264 0.030 . 1 . . . . 63 PHE HZ . 10026 1 758 . 1 1 63 63 PHE C C 13 173.728 0.300 . 1 . . . . 63 PHE C . 10026 1 759 . 1 1 63 63 PHE CA C 13 55.743 0.300 . 1 . . . . 63 PHE CA . 10026 1 760 . 1 1 63 63 PHE CB C 13 39.632 0.300 . 1 . . . . 63 PHE CB . 10026 1 761 . 1 1 63 63 PHE CD1 C 13 131.879 0.300 . 1 . . . . 63 PHE CD1 . 10026 1 762 . 1 1 63 63 PHE CD2 C 13 131.879 0.300 . 1 . . . . 63 PHE CD2 . 10026 1 763 . 1 1 63 63 PHE CE1 C 13 131.122 0.300 . 1 . . . . 63 PHE CE1 . 10026 1 764 . 1 1 63 63 PHE CE2 C 13 131.122 0.300 . 1 . . . . 63 PHE CE2 . 10026 1 765 . 1 1 63 63 PHE CZ C 13 129.311 0.300 . 1 . . . . 63 PHE CZ . 10026 1 766 . 1 1 63 63 PHE N N 15 111.826 0.300 . 1 . . . . 63 PHE N . 10026 1 767 . 1 1 64 64 LEU H H 1 7.154 0.030 . 1 . . . . 64 LEU H . 10026 1 768 . 1 1 64 64 LEU HA H 1 5.433 0.030 . 1 . . . . 64 LEU HA . 10026 1 769 . 1 1 64 64 LEU HB2 H 1 1.622 0.030 . 2 . . . . 64 LEU HB2 . 10026 1 770 . 1 1 64 64 LEU HB3 H 1 1.430 0.030 . 2 . . . . 64 LEU HB3 . 10026 1 771 . 1 1 64 64 LEU HG H 1 1.396 0.030 . 1 . . . . 64 LEU HG . 10026 1 772 . 1 1 64 64 LEU HD11 H 1 0.879 0.030 . 1 . . . . 64 LEU HD1 . 10026 1 773 . 1 1 64 64 LEU HD12 H 1 0.879 0.030 . 1 . . . . 64 LEU HD1 . 10026 1 774 . 1 1 64 64 LEU HD13 H 1 0.879 0.030 . 1 . . . . 64 LEU HD1 . 10026 1 775 . 1 1 64 64 LEU HD21 H 1 0.829 0.030 . 1 . . . . 64 LEU HD2 . 10026 1 776 . 1 1 64 64 LEU HD22 H 1 0.829 0.030 . 1 . . . . 64 LEU HD2 . 10026 1 777 . 1 1 64 64 LEU HD23 H 1 0.829 0.030 . 1 . . . . 64 LEU HD2 . 10026 1 778 . 1 1 64 64 LEU C C 13 175.136 0.300 . 1 . . . . 64 LEU C . 10026 1 779 . 1 1 64 64 LEU CA C 13 54.825 0.300 . 1 . . . . 64 LEU CA . 10026 1 780 . 1 1 64 64 LEU CB C 13 47.259 0.300 . 1 . . . . 64 LEU CB . 10026 1 781 . 1 1 64 64 LEU CG C 13 28.114 0.300 . 1 . . . . 64 LEU CG . 10026 1 782 . 1 1 64 64 LEU CD1 C 13 24.676 0.300 . 2 . . . . 64 LEU CD1 . 10026 1 783 . 1 1 64 64 LEU CD2 C 13 25.601 0.300 . 2 . . . . 64 LEU CD2 . 10026 1 784 . 1 1 64 64 LEU N N 15 119.471 0.300 . 1 . . . . 64 LEU N . 10026 1 785 . 1 1 65 65 LEU H H 1 9.132 0.030 . 1 . . . . 65 LEU H . 10026 1 786 . 1 1 65 65 LEU HA H 1 5.231 0.030 . 1 . . . . 65 LEU HA . 10026 1 787 . 1 1 65 65 LEU HB2 H 1 1.364 0.030 . 2 . . . . 65 LEU HB2 . 10026 1 788 . 1 1 65 65 LEU HB3 H 1 1.265 0.030 . 2 . . . . 65 LEU HB3 . 10026 1 789 . 1 1 65 65 LEU HG H 1 1.425 0.030 . 1 . . . . 65 LEU HG . 10026 1 790 . 1 1 65 65 LEU HD11 H 1 0.538 0.030 . 1 . . . . 65 LEU HD1 . 10026 1 791 . 1 1 65 65 LEU HD12 H 1 0.538 0.030 . 1 . . . . 65 LEU HD1 . 10026 1 792 . 1 1 65 65 LEU HD13 H 1 0.538 0.030 . 1 . . . . 65 LEU HD1 . 10026 1 793 . 1 1 65 65 LEU HD21 H 1 0.690 0.030 . 1 . . . . 65 LEU HD2 . 10026 1 794 . 1 1 65 65 LEU HD22 H 1 0.690 0.030 . 1 . . . . 65 LEU HD2 . 10026 1 795 . 1 1 65 65 LEU HD23 H 1 0.690 0.030 . 1 . . . . 65 LEU HD2 . 10026 1 796 . 1 1 65 65 LEU C C 13 175.039 0.300 . 1 . . . . 65 LEU C . 10026 1 797 . 1 1 65 65 LEU CA C 13 53.180 0.300 . 1 . . . . 65 LEU CA . 10026 1 798 . 1 1 65 65 LEU CB C 13 45.950 0.300 . 1 . . . . 65 LEU CB . 10026 1 799 . 1 1 65 65 LEU CG C 13 27.187 0.300 . 1 . . . . 65 LEU CG . 10026 1 800 . 1 1 65 65 LEU CD1 C 13 26.882 0.300 . 2 . . . . 65 LEU CD1 . 10026 1 801 . 1 1 65 65 LEU CD2 C 13 24.285 0.300 . 2 . . . . 65 LEU CD2 . 10026 1 802 . 1 1 65 65 LEU N N 15 125.111 0.300 . 1 . . . . 65 LEU N . 10026 1 803 . 1 1 66 66 PHE H H 1 9.029 0.030 . 1 . . . . 66 PHE H . 10026 1 804 . 1 1 66 66 PHE HA H 1 4.867 0.030 . 1 . . . . 66 PHE HA . 10026 1 805 . 1 1 66 66 PHE HB2 H 1 3.014 0.030 . 2 . . . . 66 PHE HB2 . 10026 1 806 . 1 1 66 66 PHE HB3 H 1 2.880 0.030 . 2 . . . . 66 PHE HB3 . 10026 1 807 . 1 1 66 66 PHE HD1 H 1 7.058 0.030 . 1 . . . . 66 PHE HD1 . 10026 1 808 . 1 1 66 66 PHE HD2 H 1 7.058 0.030 . 1 . . . . 66 PHE HD2 . 10026 1 809 . 1 1 66 66 PHE HE1 H 1 7.159 0.030 . 1 . . . . 66 PHE HE1 . 10026 1 810 . 1 1 66 66 PHE HE2 H 1 7.159 0.030 . 1 . . . . 66 PHE HE2 . 10026 1 811 . 1 1 66 66 PHE HZ H 1 7.149 0.030 . 1 . . . . 66 PHE HZ . 10026 1 812 . 1 1 66 66 PHE C C 13 174.821 0.300 . 1 . . . . 66 PHE C . 10026 1 813 . 1 1 66 66 PHE CA C 13 57.530 0.300 . 1 . . . . 66 PHE CA . 10026 1 814 . 1 1 66 66 PHE CB C 13 41.303 0.300 . 1 . . . . 66 PHE CB . 10026 1 815 . 1 1 66 66 PHE CD1 C 13 131.228 0.300 . 1 . . . . 66 PHE CD1 . 10026 1 816 . 1 1 66 66 PHE CD2 C 13 131.228 0.300 . 1 . . . . 66 PHE CD2 . 10026 1 817 . 1 1 66 66 PHE CE1 C 13 131.228 0.300 . 1 . . . . 66 PHE CE1 . 10026 1 818 . 1 1 66 66 PHE CE2 C 13 131.228 0.300 . 1 . . . . 66 PHE CE2 . 10026 1 819 . 1 1 66 66 PHE CZ C 13 129.720 0.300 . 1 . . . . 66 PHE CZ . 10026 1 820 . 1 1 66 66 PHE N N 15 124.048 0.300 . 1 . . . . 66 PHE N . 10026 1 821 . 1 1 67 67 CYS H H 1 8.521 0.030 . 1 . . . . 67 CYS H . 10026 1 822 . 1 1 67 67 CYS HA H 1 4.859 0.030 . 1 . . . . 67 CYS HA . 10026 1 823 . 1 1 67 67 CYS HB2 H 1 1.113 0.030 . 2 . . . . 67 CYS HB2 . 10026 1 824 . 1 1 67 67 CYS HB3 H 1 0.134 0.030 . 2 . . . . 67 CYS HB3 . 10026 1 825 . 1 1 67 67 CYS C C 13 172.003 0.300 . 1 . . . . 67 CYS C . 10026 1 826 . 1 1 67 67 CYS CA C 13 57.003 0.300 . 1 . . . . 67 CYS CA . 10026 1 827 . 1 1 67 67 CYS CB C 13 30.069 0.300 . 1 . . . . 67 CYS CB . 10026 1 828 . 1 1 67 67 CYS N N 15 124.755 0.300 . 1 . . . . 67 CYS N . 10026 1 829 . 1 1 68 68 VAL H H 1 8.408 0.030 . 1 . . . . 68 VAL H . 10026 1 830 . 1 1 68 68 VAL HA H 1 5.134 0.030 . 1 . . . . 68 VAL HA . 10026 1 831 . 1 1 68 68 VAL HB H 1 1.931 0.030 . 1 . . . . 68 VAL HB . 10026 1 832 . 1 1 68 68 VAL HG11 H 1 0.987 0.030 . 1 . . . . 68 VAL HG1 . 10026 1 833 . 1 1 68 68 VAL HG12 H 1 0.987 0.030 . 1 . . . . 68 VAL HG1 . 10026 1 834 . 1 1 68 68 VAL HG13 H 1 0.987 0.030 . 1 . . . . 68 VAL HG1 . 10026 1 835 . 1 1 68 68 VAL HG21 H 1 0.928 0.030 . 1 . . . . 68 VAL HG2 . 10026 1 836 . 1 1 68 68 VAL HG22 H 1 0.928 0.030 . 1 . . . . 68 VAL HG2 . 10026 1 837 . 1 1 68 68 VAL HG23 H 1 0.928 0.030 . 1 . . . . 68 VAL HG2 . 10026 1 838 . 1 1 68 68 VAL C C 13 174.505 0.300 . 1 . . . . 68 VAL C . 10026 1 839 . 1 1 68 68 VAL CA C 13 60.481 0.300 . 1 . . . . 68 VAL CA . 10026 1 840 . 1 1 68 68 VAL CB C 13 35.932 0.300 . 1 . . . . 68 VAL CB . 10026 1 841 . 1 1 68 68 VAL CG1 C 13 21.414 0.300 . 2 . . . . 68 VAL CG1 . 10026 1 842 . 1 1 68 68 VAL CG2 C 13 21.903 0.300 . 2 . . . . 68 VAL CG2 . 10026 1 843 . 1 1 68 68 VAL N N 15 118.885 0.300 . 1 . . . . 68 VAL N . 10026 1 844 . 1 1 69 69 HIS H H 1 9.060 0.030 . 1 . . . . 69 HIS H . 10026 1 845 . 1 1 69 69 HIS HA H 1 5.159 0.030 . 1 . . . . 69 HIS HA . 10026 1 846 . 1 1 69 69 HIS HB2 H 1 4.011 0.030 . 2 . . . . 69 HIS HB2 . 10026 1 847 . 1 1 69 69 HIS HB3 H 1 3.220 0.030 . 2 . . . . 69 HIS HB3 . 10026 1 848 . 1 1 69 69 HIS HD2 H 1 7.832 0.030 . 1 . . . . 69 HIS HD2 . 10026 1 849 . 1 1 69 69 HIS HE1 H 1 8.736 0.030 . 1 . . . . 69 HIS HE1 . 10026 1 850 . 1 1 69 69 HIS C C 13 172.319 0.300 . 1 . . . . 69 HIS C . 10026 1 851 . 1 1 69 69 HIS CA C 13 56.792 0.300 . 1 . . . . 69 HIS CA . 10026 1 852 . 1 1 69 69 HIS CB C 13 32.596 0.300 . 1 . . . . 69 HIS CB . 10026 1 853 . 1 1 69 69 HIS CD2 C 13 122.217 0.300 . 1 . . . . 69 HIS CD2 . 10026 1 854 . 1 1 69 69 HIS CE1 C 13 136.562 0.300 . 1 . . . . 69 HIS CE1 . 10026 1 855 . 1 1 69 69 HIS N N 15 122.673 0.300 . 1 . . . . 69 HIS N . 10026 1 856 . 1 1 70 70 GLY H H 1 8.119 0.030 . 1 . . . . 70 GLY H . 10026 1 857 . 1 1 70 70 GLY HA2 H 1 4.101 0.030 . 1 . . . . 70 GLY HA2 . 10026 1 858 . 1 1 70 70 GLY HA3 H 1 4.101 0.030 . 1 . . . . 70 GLY HA3 . 10026 1 859 . 1 1 70 70 GLY C C 13 172.003 0.300 . 1 . . . . 70 GLY C . 10026 1 860 . 1 1 70 70 GLY CA C 13 44.777 0.300 . 1 . . . . 70 GLY CA . 10026 1 861 . 1 1 70 70 GLY N N 15 112.725 0.300 . 1 . . . . 70 GLY N . 10026 1 862 . 1 1 71 71 ASP H H 1 8.635 0.030 . 1 . . . . 71 ASP H . 10026 1 863 . 1 1 71 71 ASP HA H 1 4.722 0.030 . 1 . . . . 71 ASP HA . 10026 1 864 . 1 1 71 71 ASP HB2 H 1 3.010 0.030 . 2 . . . . 71 ASP HB2 . 10026 1 865 . 1 1 71 71 ASP HB3 H 1 2.608 0.030 . 2 . . . . 71 ASP HB3 . 10026 1 866 . 1 1 71 71 ASP C C 13 176.952 0.300 . 1 . . . . 71 ASP C . 10026 1 867 . 1 1 71 71 ASP CA C 13 53.072 0.300 . 1 . . . . 71 ASP CA . 10026 1 868 . 1 1 71 71 ASP CB C 13 42.209 0.300 . 1 . . . . 71 ASP CB . 10026 1 869 . 1 1 71 71 ASP N N 15 118.359 0.300 . 1 . . . . 71 ASP N . 10026 1 870 . 1 1 72 72 GLY H H 1 8.454 0.030 . 1 . . . . 72 GLY H . 10026 1 871 . 1 1 72 72 GLY HA2 H 1 4.122 0.030 . 2 . . . . 72 GLY HA2 . 10026 1 872 . 1 1 72 72 GLY HA3 H 1 3.701 0.030 . 2 . . . . 72 GLY HA3 . 10026 1 873 . 1 1 72 72 GLY C C 13 174.554 0.300 . 1 . . . . 72 GLY C . 10026 1 874 . 1 1 72 72 GLY CA C 13 45.444 0.300 . 1 . . . . 72 GLY CA . 10026 1 875 . 1 1 72 72 GLY N N 15 109.062 0.300 . 1 . . . . 72 GLY N . 10026 1 876 . 1 1 73 73 HIS H H 1 8.554 0.030 . 1 . . . . 73 HIS H . 10026 1 877 . 1 1 73 73 HIS HA H 1 4.817 0.030 . 1 . . . . 73 HIS HA . 10026 1 878 . 1 1 73 73 HIS HB2 H 1 3.408 0.030 . 2 . . . . 73 HIS HB2 . 10026 1 879 . 1 1 73 73 HIS HB3 H 1 3.331 0.030 . 2 . . . . 73 HIS HB3 . 10026 1 880 . 1 1 73 73 HIS HD2 H 1 7.274 0.030 . 1 . . . . 73 HIS HD2 . 10026 1 881 . 1 1 73 73 HIS C C 13 175.744 0.300 . 1 . . . . 73 HIS C . 10026 1 882 . 1 1 73 73 HIS CA C 13 55.141 0.300 . 1 . . . . 73 HIS CA . 10026 1 883 . 1 1 73 73 HIS CB C 13 28.159 0.300 . 1 . . . . 73 HIS CB . 10026 1 884 . 1 1 73 73 HIS CD2 C 13 120.153 0.300 . 1 . . . . 73 HIS CD2 . 10026 1 885 . 1 1 73 73 HIS N N 15 119.069 0.300 . 1 . . . . 73 HIS N . 10026 1 886 . 1 1 74 74 ALA H H 1 9.127 0.030 . 1 . . . . 74 ALA H . 10026 1 887 . 1 1 74 74 ALA HA H 1 4.167 0.030 . 1 . . . . 74 ALA HA . 10026 1 888 . 1 1 74 74 ALA HB1 H 1 1.518 0.030 . 1 . . . . 74 ALA HB . 10026 1 889 . 1 1 74 74 ALA HB2 H 1 1.518 0.030 . 1 . . . . 74 ALA HB . 10026 1 890 . 1 1 74 74 ALA HB3 H 1 1.518 0.030 . 1 . . . . 74 ALA HB . 10026 1 891 . 1 1 74 74 ALA C C 13 178.513 0.300 . 1 . . . . 74 ALA C . 10026 1 892 . 1 1 74 74 ALA CA C 13 55.036 0.300 . 1 . . . . 74 ALA CA . 10026 1 893 . 1 1 74 74 ALA CB C 13 18.637 0.300 . 1 . . . . 74 ALA CB . 10026 1 894 . 1 1 74 74 ALA N N 15 129.191 0.300 . 1 . . . . 74 ALA N . 10026 1 895 . 1 1 75 75 GLU H H 1 9.316 0.030 . 1 . . . . 75 GLU H . 10026 1 896 . 1 1 75 75 GLU HA H 1 4.345 0.030 . 1 . . . . 75 GLU HA . 10026 1 897 . 1 1 75 75 GLU HB2 H 1 2.144 0.030 . 2 . . . . 75 GLU HB2 . 10026 1 898 . 1 1 75 75 GLU HB3 H 1 2.086 0.030 . 2 . . . . 75 GLU HB3 . 10026 1 899 . 1 1 75 75 GLU HG2 H 1 2.375 0.030 . 2 . . . . 75 GLU HG2 . 10026 1 900 . 1 1 75 75 GLU HG3 H 1 2.307 0.030 . 2 . . . . 75 GLU HG3 . 10026 1 901 . 1 1 75 75 GLU C C 13 177.104 0.300 . 1 . . . . 75 GLU C . 10026 1 902 . 1 1 75 75 GLU CA C 13 57.706 0.300 . 1 . . . . 75 GLU CA . 10026 1 903 . 1 1 75 75 GLU CB C 13 28.596 0.300 . 1 . . . . 75 GLU CB . 10026 1 904 . 1 1 75 75 GLU CG C 13 35.518 0.300 . 1 . . . . 75 GLU CG . 10026 1 905 . 1 1 75 75 GLU N N 15 115.651 0.300 . 1 . . . . 75 GLU N . 10026 1 906 . 1 1 76 76 ASN H H 1 8.206 0.030 . 1 . . . . 76 ASN H . 10026 1 907 . 1 1 76 76 ASN HA H 1 4.869 0.030 . 1 . . . . 76 ASN HA . 10026 1 908 . 1 1 76 76 ASN HB2 H 1 3.114 0.030 . 2 . . . . 76 ASN HB2 . 10026 1 909 . 1 1 76 76 ASN HB3 H 1 2.995 0.030 . 2 . . . . 76 ASN HB3 . 10026 1 910 . 1 1 76 76 ASN HD21 H 1 8.481 0.030 . 2 . . . . 76 ASN HD21 . 10026 1 911 . 1 1 76 76 ASN HD22 H 1 6.869 0.030 . 2 . . . . 76 ASN HD22 . 10026 1 912 . 1 1 76 76 ASN C C 13 174.084 0.300 . 1 . . . . 76 ASN C . 10026 1 913 . 1 1 76 76 ASN CA C 13 52.506 0.300 . 1 . . . . 76 ASN CA . 10026 1 914 . 1 1 76 76 ASN CB C 13 38.665 0.300 . 1 . . . . 76 ASN CB . 10026 1 915 . 1 1 76 76 ASN N N 15 118.974 0.300 . 1 . . . . 76 ASN N . 10026 1 916 . 1 1 76 76 ASN ND2 N 15 113.367 0.300 . 1 . . . . 76 ASN ND2 . 10026 1 917 . 1 1 77 77 LEU H H 1 7.501 0.030 . 1 . . . . 77 LEU H . 10026 1 918 . 1 1 77 77 LEU HA H 1 4.876 0.030 . 1 . . . . 77 LEU HA . 10026 1 919 . 1 1 77 77 LEU HB2 H 1 1.864 0.030 . 2 . . . . 77 LEU HB2 . 10026 1 920 . 1 1 77 77 LEU HB3 H 1 1.523 0.030 . 2 . . . . 77 LEU HB3 . 10026 1 921 . 1 1 77 77 LEU HG H 1 1.509 0.030 . 1 . . . . 77 LEU HG . 10026 1 922 . 1 1 77 77 LEU HD11 H 1 0.866 0.030 . 1 . . . . 77 LEU HD1 . 10026 1 923 . 1 1 77 77 LEU HD12 H 1 0.866 0.030 . 1 . . . . 77 LEU HD1 . 10026 1 924 . 1 1 77 77 LEU HD13 H 1 0.866 0.030 . 1 . . . . 77 LEU HD1 . 10026 1 925 . 1 1 77 77 LEU HD21 H 1 0.885 0.030 . 1 . . . . 77 LEU HD2 . 10026 1 926 . 1 1 77 77 LEU HD22 H 1 0.885 0.030 . 1 . . . . 77 LEU HD2 . 10026 1 927 . 1 1 77 77 LEU HD23 H 1 0.885 0.030 . 1 . . . . 77 LEU HD2 . 10026 1 928 . 1 1 77 77 LEU C C 13 177.663 0.300 . 1 . . . . 77 LEU C . 10026 1 929 . 1 1 77 77 LEU CA C 13 56.265 0.300 . 1 . . . . 77 LEU CA . 10026 1 930 . 1 1 77 77 LEU CB C 13 42.288 0.300 . 1 . . . . 77 LEU CB . 10026 1 931 . 1 1 77 77 LEU CG C 13 27.367 0.300 . 1 . . . . 77 LEU CG . 10026 1 932 . 1 1 77 77 LEU CD1 C 13 24.057 0.300 . 2 . . . . 77 LEU CD1 . 10026 1 933 . 1 1 77 77 LEU CD2 C 13 25.405 0.300 . 2 . . . . 77 LEU CD2 . 10026 1 934 . 1 1 77 77 LEU N N 15 123.028 0.300 . 1 . . . . 77 LEU N . 10026 1 935 . 1 1 78 78 VAL H H 1 9.344 0.030 . 1 . . . . 78 VAL H . 10026 1 936 . 1 1 78 78 VAL HA H 1 4.962 0.030 . 1 . . . . 78 VAL HA . 10026 1 937 . 1 1 78 78 VAL HB H 1 2.275 0.030 . 1 . . . . 78 VAL HB . 10026 1 938 . 1 1 78 78 VAL HG11 H 1 1.390 0.030 . 1 . . . . 78 VAL HG1 . 10026 1 939 . 1 1 78 78 VAL HG12 H 1 1.390 0.030 . 1 . . . . 78 VAL HG1 . 10026 1 940 . 1 1 78 78 VAL HG13 H 1 1.390 0.030 . 1 . . . . 78 VAL HG1 . 10026 1 941 . 1 1 78 78 VAL HG21 H 1 1.224 0.030 . 1 . . . . 78 VAL HG2 . 10026 1 942 . 1 1 78 78 VAL HG22 H 1 1.224 0.030 . 1 . . . . 78 VAL HG2 . 10026 1 943 . 1 1 78 78 VAL HG23 H 1 1.224 0.030 . 1 . . . . 78 VAL HG2 . 10026 1 944 . 1 1 78 78 VAL C C 13 173.825 0.300 . 1 . . . . 78 VAL C . 10026 1 945 . 1 1 78 78 VAL CA C 13 60.710 0.300 . 1 . . . . 78 VAL CA . 10026 1 946 . 1 1 78 78 VAL CB C 13 35.697 0.300 . 1 . . . . 78 VAL CB . 10026 1 947 . 1 1 78 78 VAL CG1 C 13 21.902 0.300 . 2 . . . . 78 VAL CG1 . 10026 1 948 . 1 1 78 78 VAL CG2 C 13 22.458 0.300 . 2 . . . . 78 VAL CG2 . 10026 1 949 . 1 1 78 78 VAL N N 15 128.992 0.300 . 1 . . . . 78 VAL N . 10026 1 950 . 1 1 79 79 GLN H H 1 8.557 0.030 . 1 . . . . 79 GLN H . 10026 1 951 . 1 1 79 79 GLN HA H 1 5.806 0.030 . 1 . . . . 79 GLN HA . 10026 1 952 . 1 1 79 79 GLN HB2 H 1 2.116 0.030 . 2 . . . . 79 GLN HB2 . 10026 1 953 . 1 1 79 79 GLN HB3 H 1 2.003 0.030 . 2 . . . . 79 GLN HB3 . 10026 1 954 . 1 1 79 79 GLN HG2 H 1 2.339 0.030 . 2 . . . . 79 GLN HG2 . 10026 1 955 . 1 1 79 79 GLN HG3 H 1 2.295 0.030 . 2 . . . . 79 GLN HG3 . 10026 1 956 . 1 1 79 79 GLN HE21 H 1 7.261 0.030 . 2 . . . . 79 GLN HE21 . 10026 1 957 . 1 1 79 79 GLN HE22 H 1 6.978 0.030 . 2 . . . . 79 GLN HE22 . 10026 1 958 . 1 1 79 79 GLN C C 13 176.265 0.300 . 1 . . . . 79 GLN C . 10026 1 959 . 1 1 79 79 GLN CA C 13 53.848 0.300 . 1 . . . . 79 GLN CA . 10026 1 960 . 1 1 79 79 GLN CB C 13 32.462 0.300 . 1 . . . . 79 GLN CB . 10026 1 961 . 1 1 79 79 GLN CG C 13 34.506 0.300 . 1 . . . . 79 GLN CG . 10026 1 962 . 1 1 79 79 GLN N N 15 122.485 0.300 . 1 . . . . 79 GLN N . 10026 1 963 . 1 1 79 79 GLN NE2 N 15 110.776 0.300 . 1 . . . . 79 GLN NE2 . 10026 1 964 . 1 1 80 80 TRP H H 1 9.289 0.030 . 1 . . . . 80 TRP H . 10026 1 965 . 1 1 80 80 TRP HA H 1 5.428 0.030 . 1 . . . . 80 TRP HA . 10026 1 966 . 1 1 80 80 TRP HB2 H 1 3.606 0.030 . 2 . . . . 80 TRP HB2 . 10026 1 967 . 1 1 80 80 TRP HB3 H 1 3.500 0.030 . 2 . . . . 80 TRP HB3 . 10026 1 968 . 1 1 80 80 TRP HD1 H 1 7.151 0.030 . 1 . . . . 80 TRP HD1 . 10026 1 969 . 1 1 80 80 TRP HE1 H 1 8.751 0.030 . 1 . . . . 80 TRP HE1 . 10026 1 970 . 1 1 80 80 TRP HE3 H 1 7.329 0.030 . 1 . . . . 80 TRP HE3 . 10026 1 971 . 1 1 80 80 TRP HZ2 H 1 7.105 0.030 . 1 . . . . 80 TRP HZ2 . 10026 1 972 . 1 1 80 80 TRP HZ3 H 1 7.119 0.030 . 1 . . . . 80 TRP HZ3 . 10026 1 973 . 1 1 80 80 TRP HH2 H 1 7.235 0.030 . 1 . . . . 80 TRP HH2 . 10026 1 974 . 1 1 80 80 TRP C C 13 171.566 0.300 . 1 . . . . 80 TRP C . 10026 1 975 . 1 1 80 80 TRP CA C 13 57.354 0.300 . 1 . . . . 80 TRP CA . 10026 1 976 . 1 1 80 80 TRP CB C 13 33.373 0.300 . 1 . . . . 80 TRP CB . 10026 1 977 . 1 1 80 80 TRP CD1 C 13 126.955 0.300 . 1 . . . . 80 TRP CD1 . 10026 1 978 . 1 1 80 80 TRP CE3 C 13 122.980 0.300 . 1 . . . . 80 TRP CE3 . 10026 1 979 . 1 1 80 80 TRP CZ2 C 13 113.176 0.300 . 1 . . . . 80 TRP CZ2 . 10026 1 980 . 1 1 80 80 TRP CZ3 C 13 122.070 0.300 . 1 . . . . 80 TRP CZ3 . 10026 1 981 . 1 1 80 80 TRP CH2 C 13 125.059 0.300 . 1 . . . . 80 TRP CH2 . 10026 1 982 . 1 1 80 80 TRP N N 15 124.566 0.300 . 1 . . . . 80 TRP N . 10026 1 983 . 1 1 80 80 TRP NE1 N 15 125.943 0.300 . 1 . . . . 80 TRP NE1 . 10026 1 984 . 1 1 81 81 GLU H H 1 9.345 0.030 . 1 . . . . 81 GLU H . 10026 1 985 . 1 1 81 81 GLU HA H 1 5.453 0.030 . 1 . . . . 81 GLU HA . 10026 1 986 . 1 1 81 81 GLU HB2 H 1 2.006 0.030 . 1 . . . . 81 GLU HB2 . 10026 1 987 . 1 1 81 81 GLU HB3 H 1 2.006 0.030 . 1 . . . . 81 GLU HB3 . 10026 1 988 . 1 1 81 81 GLU HG2 H 1 2.314 0.030 . 1 . . . . 81 GLU HG2 . 10026 1 989 . 1 1 81 81 GLU HG3 H 1 2.314 0.030 . 1 . . . . 81 GLU HG3 . 10026 1 990 . 1 1 81 81 GLU C C 13 176.934 0.300 . 1 . . . . 81 GLU C . 10026 1 991 . 1 1 81 81 GLU CA C 13 53.390 0.300 . 1 . . . . 81 GLU CA . 10026 1 992 . 1 1 81 81 GLU CB C 13 33.020 0.300 . 1 . . . . 81 GLU CB . 10026 1 993 . 1 1 81 81 GLU CG C 13 36.015 0.300 . 1 . . . . 81 GLU CG . 10026 1 994 . 1 1 81 81 GLU N N 15 118.190 0.300 . 1 . . . . 81 GLU N . 10026 1 995 . 1 1 82 82 MET H H 1 9.073 0.030 . 1 . . . . 82 MET H . 10026 1 996 . 1 1 82 82 MET HA H 1 5.607 0.030 . 1 . . . . 82 MET HA . 10026 1 997 . 1 1 82 82 MET HB2 H 1 1.570 0.030 . 2 . . . . 82 MET HB2 . 10026 1 998 . 1 1 82 82 MET HB3 H 1 1.488 0.030 . 2 . . . . 82 MET HB3 . 10026 1 999 . 1 1 82 82 MET HG2 H 1 2.349 0.030 . 2 . . . . 82 MET HG2 . 10026 1 1000 . 1 1 82 82 MET HG3 H 1 1.862 0.030 . 2 . . . . 82 MET HG3 . 10026 1 1001 . 1 1 82 82 MET HE1 H 1 1.437 0.030 . 1 . . . . 82 MET HE . 10026 1 1002 . 1 1 82 82 MET HE2 H 1 1.437 0.030 . 1 . . . . 82 MET HE . 10026 1 1003 . 1 1 82 82 MET HE3 H 1 1.437 0.030 . 1 . . . . 82 MET HE . 10026 1 1004 . 1 1 82 82 MET C C 13 173.388 0.300 . 1 . . . . 82 MET C . 10026 1 1005 . 1 1 82 82 MET CA C 13 54.368 0.300 . 1 . . . . 82 MET CA . 10026 1 1006 . 1 1 82 82 MET CB C 13 36.984 0.300 . 1 . . . . 82 MET CB . 10026 1 1007 . 1 1 82 82 MET CG C 13 32.124 0.300 . 1 . . . . 82 MET CG . 10026 1 1008 . 1 1 82 82 MET CE C 13 17.517 0.300 . 1 . . . . 82 MET CE . 10026 1 1009 . 1 1 82 82 MET N N 15 119.282 0.300 . 1 . . . . 82 MET N . 10026 1 1010 . 1 1 83 83 GLU H H 1 8.879 0.030 . 1 . . . . 83 GLU H . 10026 1 1011 . 1 1 83 83 GLU HA H 1 5.666 0.030 . 1 . . . . 83 GLU HA . 10026 1 1012 . 1 1 83 83 GLU HB2 H 1 2.048 0.030 . 2 . . . . 83 GLU HB2 . 10026 1 1013 . 1 1 83 83 GLU HB3 H 1 1.885 0.030 . 2 . . . . 83 GLU HB3 . 10026 1 1014 . 1 1 83 83 GLU HG2 H 1 2.366 0.030 . 2 . . . . 83 GLU HG2 . 10026 1 1015 . 1 1 83 83 GLU HG3 H 1 2.181 0.030 . 2 . . . . 83 GLU HG3 . 10026 1 1016 . 1 1 83 83 GLU C C 13 175.744 0.300 . 1 . . . . 83 GLU C . 10026 1 1017 . 1 1 83 83 GLU CA C 13 53.585 0.300 . 1 . . . . 83 GLU CA . 10026 1 1018 . 1 1 83 83 GLU CB C 13 34.528 0.300 . 1 . . . . 83 GLU CB . 10026 1 1019 . 1 1 83 83 GLU CG C 13 35.579 0.300 . 1 . . . . 83 GLU CG . 10026 1 1020 . 1 1 83 83 GLU N N 15 123.365 0.300 . 1 . . . . 83 GLU N . 10026 1 1021 . 1 1 84 84 VAL H H 1 8.310 0.030 . 1 . . . . 84 VAL H . 10026 1 1022 . 1 1 84 84 VAL HA H 1 4.769 0.030 . 1 . . . . 84 VAL HA . 10026 1 1023 . 1 1 84 84 VAL HB H 1 2.034 0.030 . 1 . . . . 84 VAL HB . 10026 1 1024 . 1 1 84 84 VAL HG11 H 1 0.880 0.030 . 1 . . . . 84 VAL HG1 . 10026 1 1025 . 1 1 84 84 VAL HG12 H 1 0.880 0.030 . 1 . . . . 84 VAL HG1 . 10026 1 1026 . 1 1 84 84 VAL HG13 H 1 0.880 0.030 . 1 . . . . 84 VAL HG1 . 10026 1 1027 . 1 1 84 84 VAL HG21 H 1 0.920 0.030 . 1 . . . . 84 VAL HG2 . 10026 1 1028 . 1 1 84 84 VAL HG22 H 1 0.920 0.030 . 1 . . . . 84 VAL HG2 . 10026 1 1029 . 1 1 84 84 VAL HG23 H 1 0.920 0.030 . 1 . . . . 84 VAL HG2 . 10026 1 1030 . 1 1 84 84 VAL C C 13 174.918 0.300 . 1 . . . . 84 VAL C . 10026 1 1031 . 1 1 84 84 VAL CA C 13 62.343 0.300 . 1 . . . . 84 VAL CA . 10026 1 1032 . 1 1 84 84 VAL CB C 13 32.880 0.300 . 1 . . . . 84 VAL CB . 10026 1 1033 . 1 1 84 84 VAL CG1 C 13 21.482 0.300 . 2 . . . . 84 VAL CG1 . 10026 1 1034 . 1 1 84 84 VAL CG2 C 13 23.461 0.300 . 2 . . . . 84 VAL CG2 . 10026 1 1035 . 1 1 84 84 VAL N N 15 127.566 0.300 . 1 . . . . 84 VAL N . 10026 1 1036 . 1 1 85 85 CYS H H 1 8.828 0.030 . 1 . . . . 85 CYS H . 10026 1 1037 . 1 1 85 85 CYS HA H 1 4.865 0.030 . 1 . . . . 85 CYS HA . 10026 1 1038 . 1 1 85 85 CYS HB2 H 1 2.939 0.030 . 1 . . . . 85 CYS HB2 . 10026 1 1039 . 1 1 85 85 CYS HB3 H 1 2.939 0.030 . 1 . . . . 85 CYS HB3 . 10026 1 1040 . 1 1 85 85 CYS C C 13 172.805 0.300 . 1 . . . . 85 CYS C . 10026 1 1041 . 1 1 85 85 CYS CA C 13 55.809 0.300 . 1 . . . . 85 CYS CA . 10026 1 1042 . 1 1 85 85 CYS CB C 13 31.393 0.300 . 1 . . . . 85 CYS CB . 10026 1 1043 . 1 1 85 85 CYS N N 15 123.590 0.300 . 1 . . . . 85 CYS N . 10026 1 1044 . 1 1 86 86 LYS H H 1 8.431 0.030 . 1 . . . . 86 LYS H . 10026 1 1045 . 1 1 86 86 LYS HA H 1 4.660 0.030 . 1 . . . . 86 LYS HA . 10026 1 1046 . 1 1 86 86 LYS HB2 H 1 1.665 0.030 . 1 . . . . 86 LYS HB2 . 10026 1 1047 . 1 1 86 86 LYS HB3 H 1 1.665 0.030 . 1 . . . . 86 LYS HB3 . 10026 1 1048 . 1 1 86 86 LYS HG2 H 1 1.309 0.030 . 2 . . . . 86 LYS HG2 . 10026 1 1049 . 1 1 86 86 LYS HG3 H 1 1.278 0.030 . 2 . . . . 86 LYS HG3 . 10026 1 1050 . 1 1 86 86 LYS HD2 H 1 1.367 0.030 . 1 . . . . 86 LYS HD2 . 10026 1 1051 . 1 1 86 86 LYS HD3 H 1 1.367 0.030 . 1 . . . . 86 LYS HD3 . 10026 1 1052 . 1 1 86 86 LYS HE2 H 1 2.963 0.030 . 1 . . . . 86 LYS HE2 . 10026 1 1053 . 1 1 86 86 LYS HE3 H 1 2.963 0.030 . 1 . . . . 86 LYS HE3 . 10026 1 1054 . 1 1 86 86 LYS C C 13 176.388 0.300 . 1 . . . . 86 LYS C . 10026 1 1055 . 1 1 86 86 LYS CA C 13 55.632 0.300 . 1 . . . . 86 LYS CA . 10026 1 1056 . 1 1 86 86 LYS CB C 13 33.222 0.300 . 1 . . . . 86 LYS CB . 10026 1 1057 . 1 1 86 86 LYS CG C 13 24.762 0.300 . 1 . . . . 86 LYS CG . 10026 1 1058 . 1 1 86 86 LYS CD C 13 28.819 0.300 . 1 . . . . 86 LYS CD . 10026 1 1059 . 1 1 86 86 LYS CE C 13 42.173 0.300 . 1 . . . . 86 LYS CE . 10026 1 1060 . 1 1 86 86 LYS N N 15 122.052 0.300 . 1 . . . . 86 LYS N . 10026 1 1061 . 1 1 87 87 LEU H H 1 8.621 0.030 . 1 . . . . 87 LEU H . 10026 1 1062 . 1 1 87 87 LEU HA H 1 4.489 0.030 . 1 . . . . 87 LEU HA . 10026 1 1063 . 1 1 87 87 LEU HB2 H 1 1.654 0.030 . 2 . . . . 87 LEU HB2 . 10026 1 1064 . 1 1 87 87 LEU HB3 H 1 1.551 0.030 . 2 . . . . 87 LEU HB3 . 10026 1 1065 . 1 1 87 87 LEU HG H 1 1.590 0.030 . 1 . . . . 87 LEU HG . 10026 1 1066 . 1 1 87 87 LEU HD11 H 1 0.835 0.030 . 1 . . . . 87 LEU HD1 . 10026 1 1067 . 1 1 87 87 LEU HD12 H 1 0.835 0.030 . 1 . . . . 87 LEU HD1 . 10026 1 1068 . 1 1 87 87 LEU HD13 H 1 0.835 0.030 . 1 . . . . 87 LEU HD1 . 10026 1 1069 . 1 1 87 87 LEU HD21 H 1 0.853 0.030 . 1 . . . . 87 LEU HD2 . 10026 1 1070 . 1 1 87 87 LEU HD22 H 1 0.853 0.030 . 1 . . . . 87 LEU HD2 . 10026 1 1071 . 1 1 87 87 LEU HD23 H 1 0.853 0.030 . 1 . . . . 87 LEU HD2 . 10026 1 1072 . 1 1 87 87 LEU C C 13 175.695 0.300 . 1 . . . . 87 LEU C . 10026 1 1073 . 1 1 87 87 LEU CA C 13 53.207 0.300 . 1 . . . . 87 LEU CA . 10026 1 1074 . 1 1 87 87 LEU CB C 13 40.906 0.300 . 1 . . . . 87 LEU CB . 10026 1 1075 . 1 1 87 87 LEU CG C 13 28.277 0.300 . 1 . . . . 87 LEU CG . 10026 1 1076 . 1 1 87 87 LEU CD1 C 13 25.205 0.300 . 2 . . . . 87 LEU CD1 . 10026 1 1077 . 1 1 87 87 LEU CD2 C 13 23.969 0.300 . 2 . . . . 87 LEU CD2 . 10026 1 1078 . 1 1 87 87 LEU N N 15 127.227 0.300 . 1 . . . . 87 LEU N . 10026 1 1079 . 1 1 88 88 PRO HA H 1 4.262 0.030 . 1 . . . . 88 PRO HA . 10026 1 1080 . 1 1 88 88 PRO HB2 H 1 2.290 0.030 . 2 . . . . 88 PRO HB2 . 10026 1 1081 . 1 1 88 88 PRO HB3 H 1 1.894 0.030 . 2 . . . . 88 PRO HB3 . 10026 1 1082 . 1 1 88 88 PRO HG2 H 1 1.944 0.030 . 1 . . . . 88 PRO HG2 . 10026 1 1083 . 1 1 88 88 PRO HG3 H 1 1.944 0.030 . 1 . . . . 88 PRO HG3 . 10026 1 1084 . 1 1 88 88 PRO HD2 H 1 3.404 0.030 . 2 . . . . 88 PRO HD2 . 10026 1 1085 . 1 1 88 88 PRO HD3 H 1 3.581 0.030 . 2 . . . . 88 PRO HD3 . 10026 1 1086 . 1 1 88 88 PRO C C 13 177.760 0.300 . 1 . . . . 88 PRO C . 10026 1 1087 . 1 1 88 88 PRO CA C 13 64.582 0.300 . 1 . . . . 88 PRO CA . 10026 1 1088 . 1 1 88 88 PRO CB C 13 31.964 0.300 . 1 . . . . 88 PRO CB . 10026 1 1089 . 1 1 88 88 PRO CG C 13 27.610 0.300 . 1 . . . . 88 PRO CG . 10026 1 1090 . 1 1 88 88 PRO CD C 13 50.498 0.300 . 1 . . . . 88 PRO CD . 10026 1 1091 . 1 1 89 89 ARG H H 1 8.384 0.030 . 1 . . . . 89 ARG H . 10026 1 1092 . 1 1 89 89 ARG HA H 1 4.142 0.030 . 1 . . . . 89 ARG HA . 10026 1 1093 . 1 1 89 89 ARG HB2 H 1 1.929 0.030 . 2 . . . . 89 ARG HB2 . 10026 1 1094 . 1 1 89 89 ARG HB3 H 1 1.906 0.030 . 2 . . . . 89 ARG HB3 . 10026 1 1095 . 1 1 89 89 ARG HG2 H 1 1.562 0.030 . 1 . . . . 89 ARG HG2 . 10026 1 1096 . 1 1 89 89 ARG HG3 H 1 1.562 0.030 . 1 . . . . 89 ARG HG3 . 10026 1 1097 . 1 1 89 89 ARG HD2 H 1 3.193 0.030 . 1 . . . . 89 ARG HD2 . 10026 1 1098 . 1 1 89 89 ARG HD3 H 1 3.193 0.030 . 1 . . . . 89 ARG HD3 . 10026 1 1099 . 1 1 89 89 ARG HE H 1 7.263 0.030 . 1 . . . . 89 ARG HE . 10026 1 1100 . 1 1 89 89 ARG C C 13 176.400 0.300 . 1 . . . . 89 ARG C . 10026 1 1101 . 1 1 89 89 ARG CA C 13 57.785 0.300 . 1 . . . . 89 ARG CA . 10026 1 1102 . 1 1 89 89 ARG CB C 13 29.779 0.300 . 1 . . . . 89 ARG CB . 10026 1 1103 . 1 1 89 89 ARG CG C 13 27.719 0.300 . 1 . . . . 89 ARG CG . 10026 1 1104 . 1 1 89 89 ARG CD C 13 43.193 0.300 . 1 . . . . 89 ARG CD . 10026 1 1105 . 1 1 89 89 ARG N N 15 116.116 0.300 . 1 . . . . 89 ARG N . 10026 1 1106 . 1 1 89 89 ARG NE N 15 109.337 0.300 . 1 . . . . 89 ARG NE . 10026 1 1107 . 1 1 90 90 LEU H H 1 7.985 0.030 . 1 . . . . 90 LEU H . 10026 1 1108 . 1 1 90 90 LEU HA H 1 4.453 0.030 . 1 . . . . 90 LEU HA . 10026 1 1109 . 1 1 90 90 LEU HB2 H 1 1.602 0.030 . 2 . . . . 90 LEU HB2 . 10026 1 1110 . 1 1 90 90 LEU HB3 H 1 1.559 0.030 . 2 . . . . 90 LEU HB3 . 10026 1 1111 . 1 1 90 90 LEU HG H 1 1.638 0.030 . 1 . . . . 90 LEU HG . 10026 1 1112 . 1 1 90 90 LEU HD11 H 1 0.906 0.030 . 1 . . . . 90 LEU HD1 . 10026 1 1113 . 1 1 90 90 LEU HD12 H 1 0.906 0.030 . 1 . . . . 90 LEU HD1 . 10026 1 1114 . 1 1 90 90 LEU HD13 H 1 0.906 0.030 . 1 . . . . 90 LEU HD1 . 10026 1 1115 . 1 1 90 90 LEU HD21 H 1 0.887 0.030 . 1 . . . . 90 LEU HD2 . 10026 1 1116 . 1 1 90 90 LEU HD22 H 1 0.887 0.030 . 1 . . . . 90 LEU HD2 . 10026 1 1117 . 1 1 90 90 LEU HD23 H 1 0.887 0.030 . 1 . . . . 90 LEU HD2 . 10026 1 1118 . 1 1 90 90 LEU C C 13 176.837 0.300 . 1 . . . . 90 LEU C . 10026 1 1119 . 1 1 90 90 LEU CA C 13 54.805 0.300 . 1 . . . . 90 LEU CA . 10026 1 1120 . 1 1 90 90 LEU CB C 13 44.000 0.300 . 1 . . . . 90 LEU CB . 10026 1 1121 . 1 1 90 90 LEU CG C 13 27.089 0.300 . 1 . . . . 90 LEU CG . 10026 1 1122 . 1 1 90 90 LEU CD1 C 13 25.503 0.300 . 2 . . . . 90 LEU CD1 . 10026 1 1123 . 1 1 90 90 LEU CD2 C 13 22.971 0.300 . 2 . . . . 90 LEU CD2 . 10026 1 1124 . 1 1 90 90 LEU N N 15 119.377 0.300 . 1 . . . . 90 LEU N . 10026 1 1125 . 1 1 91 91 SER H H 1 8.217 0.030 . 1 . . . . 91 SER H . 10026 1 1126 . 1 1 91 91 SER HA H 1 4.262 0.030 . 1 . . . . 91 SER HA . 10026 1 1127 . 1 1 91 91 SER HB2 H 1 4.018 0.030 . 2 . . . . 91 SER HB2 . 10026 1 1128 . 1 1 91 91 SER HB3 H 1 3.953 0.030 . 2 . . . . 91 SER HB3 . 10026 1 1129 . 1 1 91 91 SER C C 13 173.801 0.300 . 1 . . . . 91 SER C . 10026 1 1130 . 1 1 91 91 SER CA C 13 58.654 0.300 . 1 . . . . 91 SER CA . 10026 1 1131 . 1 1 91 91 SER CB C 13 62.478 0.300 . 1 . . . . 91 SER CB . 10026 1 1132 . 1 1 91 91 SER N N 15 112.956 0.300 . 1 . . . . 91 SER N . 10026 1 1133 . 1 1 92 92 LEU H H 1 6.975 0.030 . 1 . . . . 92 LEU H . 10026 1 1134 . 1 1 92 92 LEU HA H 1 4.605 0.030 . 1 . . . . 92 LEU HA . 10026 1 1135 . 1 1 92 92 LEU HB2 H 1 1.556 0.030 . 2 . . . . 92 LEU HB2 . 10026 1 1136 . 1 1 92 92 LEU HB3 H 1 1.475 0.030 . 2 . . . . 92 LEU HB3 . 10026 1 1137 . 1 1 92 92 LEU HG H 1 1.614 0.030 . 1 . . . . 92 LEU HG . 10026 1 1138 . 1 1 92 92 LEU HD11 H 1 0.884 0.030 . 1 . . . . 92 LEU HD1 . 10026 1 1139 . 1 1 92 92 LEU HD12 H 1 0.884 0.030 . 1 . . . . 92 LEU HD1 . 10026 1 1140 . 1 1 92 92 LEU HD13 H 1 0.884 0.030 . 1 . . . . 92 LEU HD1 . 10026 1 1141 . 1 1 92 92 LEU HD21 H 1 0.855 0.030 . 1 . . . . 92 LEU HD2 . 10026 1 1142 . 1 1 92 92 LEU HD22 H 1 0.855 0.030 . 1 . . . . 92 LEU HD2 . 10026 1 1143 . 1 1 92 92 LEU HD23 H 1 0.855 0.030 . 1 . . . . 92 LEU HD2 . 10026 1 1144 . 1 1 92 92 LEU C C 13 175.938 0.300 . 1 . . . . 92 LEU C . 10026 1 1145 . 1 1 92 92 LEU CA C 13 53.626 0.300 . 1 . . . . 92 LEU CA . 10026 1 1146 . 1 1 92 92 LEU CB C 13 45.035 0.300 . 1 . . . . 92 LEU CB . 10026 1 1147 . 1 1 92 92 LEU CG C 13 26.556 0.300 . 1 . . . . 92 LEU CG . 10026 1 1148 . 1 1 92 92 LEU CD1 C 13 25.418 0.300 . 2 . . . . 92 LEU CD1 . 10026 1 1149 . 1 1 92 92 LEU CD2 C 13 23.236 0.300 . 2 . . . . 92 LEU CD2 . 10026 1 1150 . 1 1 92 92 LEU N N 15 118.631 0.300 . 1 . . . . 92 LEU N . 10026 1 1151 . 1 1 93 93 ASN H H 1 8.592 0.030 . 1 . . . . 93 ASN H . 10026 1 1152 . 1 1 93 93 ASN HA H 1 5.124 0.030 . 1 . . . . 93 ASN HA . 10026 1 1153 . 1 1 93 93 ASN HB2 H 1 2.602 0.030 . 1 . . . . 93 ASN HB2 . 10026 1 1154 . 1 1 93 93 ASN HB3 H 1 2.602 0.030 . 1 . . . . 93 ASN HB3 . 10026 1 1155 . 1 1 93 93 ASN HD21 H 1 7.096 0.030 . 2 . . . . 93 ASN HD21 . 10026 1 1156 . 1 1 93 93 ASN HD22 H 1 6.743 0.030 . 2 . . . . 93 ASN HD22 . 10026 1 1157 . 1 1 93 93 ASN C C 13 174.967 0.300 . 1 . . . . 93 ASN C . 10026 1 1158 . 1 1 93 93 ASN CA C 13 53.319 0.300 . 1 . . . . 93 ASN CA . 10026 1 1159 . 1 1 93 93 ASN CB C 13 40.945 0.300 . 1 . . . . 93 ASN CB . 10026 1 1160 . 1 1 93 93 ASN N N 15 118.743 0.300 . 1 . . . . 93 ASN N . 10026 1 1161 . 1 1 93 93 ASN ND2 N 15 112.065 0.300 . 1 . . . . 93 ASN ND2 . 10026 1 1162 . 1 1 94 94 GLY H H 1 8.960 0.030 . 1 . . . . 94 GLY H . 10026 1 1163 . 1 1 94 94 GLY HA2 H 1 4.709 0.030 . 2 . . . . 94 GLY HA2 . 10026 1 1164 . 1 1 94 94 GLY HA3 H 1 4.146 0.030 . 2 . . . . 94 GLY HA3 . 10026 1 1165 . 1 1 94 94 GLY C C 13 172.270 0.300 . 1 . . . . 94 GLY C . 10026 1 1166 . 1 1 94 94 GLY CA C 13 45.228 0.300 . 1 . . . . 94 GLY CA . 10026 1 1167 . 1 1 94 94 GLY N N 15 109.471 0.300 . 1 . . . . 94 GLY N . 10026 1 1168 . 1 1 95 95 VAL H H 1 8.900 0.030 . 1 . . . . 95 VAL H . 10026 1 1169 . 1 1 95 95 VAL HA H 1 5.001 0.030 . 1 . . . . 95 VAL HA . 10026 1 1170 . 1 1 95 95 VAL HB H 1 1.815 0.030 . 1 . . . . 95 VAL HB . 10026 1 1171 . 1 1 95 95 VAL HG11 H 1 0.438 0.030 . 1 . . . . 95 VAL HG1 . 10026 1 1172 . 1 1 95 95 VAL HG12 H 1 0.438 0.030 . 1 . . . . 95 VAL HG1 . 10026 1 1173 . 1 1 95 95 VAL HG13 H 1 0.438 0.030 . 1 . . . . 95 VAL HG1 . 10026 1 1174 . 1 1 95 95 VAL HG21 H 1 0.818 0.030 . 1 . . . . 95 VAL HG2 . 10026 1 1175 . 1 1 95 95 VAL HG22 H 1 0.818 0.030 . 1 . . . . 95 VAL HG2 . 10026 1 1176 . 1 1 95 95 VAL HG23 H 1 0.818 0.030 . 1 . . . . 95 VAL HG2 . 10026 1 1177 . 1 1 95 95 VAL C C 13 173.922 0.300 . 1 . . . . 95 VAL C . 10026 1 1178 . 1 1 95 95 VAL CA C 13 60.987 0.300 . 1 . . . . 95 VAL CA . 10026 1 1179 . 1 1 95 95 VAL CB C 13 35.591 0.300 . 1 . . . . 95 VAL CB . 10026 1 1180 . 1 1 95 95 VAL CG1 C 13 22.258 0.300 . 2 . . . . 95 VAL CG1 . 10026 1 1181 . 1 1 95 95 VAL CG2 C 13 22.342 0.300 . 2 . . . . 95 VAL CG2 . 10026 1 1182 . 1 1 95 95 VAL N N 15 120.729 0.300 . 1 . . . . 95 VAL N . 10026 1 1183 . 1 1 96 96 ARG H H 1 9.221 0.030 . 1 . . . . 96 ARG H . 10026 1 1184 . 1 1 96 96 ARG HA H 1 5.323 0.030 . 1 . . . . 96 ARG HA . 10026 1 1185 . 1 1 96 96 ARG HB2 H 1 1.928 0.030 . 2 . . . . 96 ARG HB2 . 10026 1 1186 . 1 1 96 96 ARG HB3 H 1 1.765 0.030 . 2 . . . . 96 ARG HB3 . 10026 1 1187 . 1 1 96 96 ARG HG2 H 1 1.398 0.030 . 2 . . . . 96 ARG HG2 . 10026 1 1188 . 1 1 96 96 ARG HG3 H 1 1.121 0.030 . 2 . . . . 96 ARG HG3 . 10026 1 1189 . 1 1 96 96 ARG HD2 H 1 3.222 0.030 . 2 . . . . 96 ARG HD2 . 10026 1 1190 . 1 1 96 96 ARG HD3 H 1 3.166 0.030 . 2 . . . . 96 ARG HD3 . 10026 1 1191 . 1 1 96 96 ARG HE H 1 7.284 0.030 . 1 . . . . 96 ARG HE . 10026 1 1192 . 1 1 96 96 ARG C C 13 175.506 0.300 . 1 . . . . 96 ARG C . 10026 1 1193 . 1 1 96 96 ARG CA C 13 54.342 0.300 . 1 . . . . 96 ARG CA . 10026 1 1194 . 1 1 96 96 ARG CB C 13 34.017 0.300 . 1 . . . . 96 ARG CB . 10026 1 1195 . 1 1 96 96 ARG CG C 13 27.586 0.300 . 1 . . . . 96 ARG CG . 10026 1 1196 . 1 1 96 96 ARG CD C 13 43.409 0.300 . 1 . . . . 96 ARG CD . 10026 1 1197 . 1 1 96 96 ARG N N 15 128.146 0.300 . 1 . . . . 96 ARG N . 10026 1 1198 . 1 1 96 96 ARG NE N 15 107.108 0.300 . 1 . . . . 96 ARG NE . 10026 1 1199 . 1 1 97 97 PHE H H 1 9.718 0.030 . 1 . . . . 97 PHE H . 10026 1 1200 . 1 1 97 97 PHE HA H 1 5.778 0.030 . 1 . . . . 97 PHE HA . 10026 1 1201 . 1 1 97 97 PHE HB2 H 1 3.396 0.030 . 2 . . . . 97 PHE HB2 . 10026 1 1202 . 1 1 97 97 PHE HB3 H 1 2.920 0.030 . 2 . . . . 97 PHE HB3 . 10026 1 1203 . 1 1 97 97 PHE HD1 H 1 7.240 0.030 . 1 . . . . 97 PHE HD1 . 10026 1 1204 . 1 1 97 97 PHE HD2 H 1 7.240 0.030 . 1 . . . . 97 PHE HD2 . 10026 1 1205 . 1 1 97 97 PHE HE1 H 1 6.823 0.030 . 1 . . . . 97 PHE HE1 . 10026 1 1206 . 1 1 97 97 PHE HE2 H 1 6.823 0.030 . 1 . . . . 97 PHE HE2 . 10026 1 1207 . 1 1 97 97 PHE HZ H 1 6.585 0.030 . 1 . . . . 97 PHE HZ . 10026 1 1208 . 1 1 97 97 PHE C C 13 175.185 0.300 . 1 . . . . 97 PHE C . 10026 1 1209 . 1 1 97 97 PHE CA C 13 56.188 0.300 . 1 . . . . 97 PHE CA . 10026 1 1210 . 1 1 97 97 PHE CB C 13 42.508 0.300 . 1 . . . . 97 PHE CB . 10026 1 1211 . 1 1 97 97 PHE CD1 C 13 132.035 0.300 . 1 . . . . 97 PHE CD1 . 10026 1 1212 . 1 1 97 97 PHE CD2 C 13 132.035 0.300 . 1 . . . . 97 PHE CD2 . 10026 1 1213 . 1 1 97 97 PHE CE1 C 13 130.700 0.300 . 1 . . . . 97 PHE CE1 . 10026 1 1214 . 1 1 97 97 PHE CE2 C 13 130.700 0.300 . 1 . . . . 97 PHE CE2 . 10026 1 1215 . 1 1 97 97 PHE CZ C 13 128.835 0.300 . 1 . . . . 97 PHE CZ . 10026 1 1216 . 1 1 97 97 PHE N N 15 124.495 0.300 . 1 . . . . 97 PHE N . 10026 1 1217 . 1 1 98 98 LYS H H 1 9.345 0.030 . 1 . . . . 98 LYS H . 10026 1 1218 . 1 1 98 98 LYS HA H 1 5.213 0.030 . 1 . . . . 98 LYS HA . 10026 1 1219 . 1 1 98 98 LYS HB2 H 1 1.898 0.030 . 2 . . . . 98 LYS HB2 . 10026 1 1220 . 1 1 98 98 LYS HB3 H 1 1.735 0.030 . 2 . . . . 98 LYS HB3 . 10026 1 1221 . 1 1 98 98 LYS HG2 H 1 1.385 0.030 . 2 . . . . 98 LYS HG2 . 10026 1 1222 . 1 1 98 98 LYS HG3 H 1 1.150 0.030 . 2 . . . . 98 LYS HG3 . 10026 1 1223 . 1 1 98 98 LYS HE2 H 1 2.887 0.030 . 1 . . . . 98 LYS HE2 . 10026 1 1224 . 1 1 98 98 LYS HE3 H 1 2.887 0.030 . 1 . . . . 98 LYS HE3 . 10026 1 1225 . 1 1 98 98 LYS C C 13 175.310 0.300 . 1 . . . . 98 LYS C . 10026 1 1226 . 1 1 98 98 LYS CA C 13 55.012 0.300 . 1 . . . . 98 LYS CA . 10026 1 1227 . 1 1 98 98 LYS CB C 13 36.234 0.300 . 1 . . . . 98 LYS CB . 10026 1 1228 . 1 1 98 98 LYS CG C 13 24.709 0.300 . 1 . . . . 98 LYS CG . 10026 1 1229 . 1 1 98 98 LYS CD C 13 29.725 0.300 . 1 . . . . 98 LYS CD . 10026 1 1230 . 1 1 98 98 LYS CE C 13 42.220 0.300 . 1 . . . . 98 LYS CE . 10026 1 1231 . 1 1 98 98 LYS N N 15 122.841 0.300 . 1 . . . . 98 LYS N . 10026 1 1232 . 1 1 99 99 ARG H H 1 8.442 0.030 . 1 . . . . 99 ARG H . 10026 1 1233 . 1 1 99 99 ARG HA H 1 3.479 0.030 . 1 . . . . 99 ARG HA . 10026 1 1234 . 1 1 99 99 ARG HB2 H 1 1.407 0.030 . 2 . . . . 99 ARG HB2 . 10026 1 1235 . 1 1 99 99 ARG HB3 H 1 -0.382 0.030 . 2 . . . . 99 ARG HB3 . 10026 1 1236 . 1 1 99 99 ARG HG2 H 1 1.201 0.030 . 2 . . . . 99 ARG HG2 . 10026 1 1237 . 1 1 99 99 ARG HG3 H 1 0.907 0.030 . 2 . . . . 99 ARG HG3 . 10026 1 1238 . 1 1 99 99 ARG HD2 H 1 3.184 0.030 . 2 . . . . 99 ARG HD2 . 10026 1 1239 . 1 1 99 99 ARG HD3 H 1 2.512 0.030 . 2 . . . . 99 ARG HD3 . 10026 1 1240 . 1 1 99 99 ARG HE H 1 7.594 0.030 . 1 . . . . 99 ARG HE . 10026 1 1241 . 1 1 99 99 ARG C C 13 174.748 0.300 . 1 . . . . 99 ARG C . 10026 1 1242 . 1 1 99 99 ARG CA C 13 58.795 0.300 . 1 . . . . 99 ARG CA . 10026 1 1243 . 1 1 99 99 ARG CB C 13 30.092 0.300 . 1 . . . . 99 ARG CB . 10026 1 1244 . 1 1 99 99 ARG CG C 13 27.231 0.300 . 1 . . . . 99 ARG CG . 10026 1 1245 . 1 1 99 99 ARG CD C 13 42.502 0.300 . 1 . . . . 99 ARG CD . 10026 1 1246 . 1 1 99 99 ARG N N 15 129.903 0.300 . 1 . . . . 99 ARG N . 10026 1 1247 . 1 1 99 99 ARG NE N 15 106.897 0.300 . 1 . . . . 99 ARG NE . 10026 1 1248 . 1 1 100 100 ILE H H 1 8.968 0.030 . 1 . . . . 100 ILE H . 10026 1 1249 . 1 1 100 100 ILE HA H 1 4.346 0.030 . 1 . . . . 100 ILE HA . 10026 1 1250 . 1 1 100 100 ILE HB H 1 1.618 0.030 . 1 . . . . 100 ILE HB . 10026 1 1251 . 1 1 100 100 ILE HG12 H 1 1.530 0.030 . 2 . . . . 100 ILE HG12 . 10026 1 1252 . 1 1 100 100 ILE HG13 H 1 1.470 0.030 . 2 . . . . 100 ILE HG13 . 10026 1 1253 . 1 1 100 100 ILE HG21 H 1 1.024 0.030 . 1 . . . . 100 ILE HG2 . 10026 1 1254 . 1 1 100 100 ILE HG22 H 1 1.024 0.030 . 1 . . . . 100 ILE HG2 . 10026 1 1255 . 1 1 100 100 ILE HG23 H 1 1.024 0.030 . 1 . . . . 100 ILE HG2 . 10026 1 1256 . 1 1 100 100 ILE HD11 H 1 0.812 0.030 . 1 . . . . 100 ILE HD1 . 10026 1 1257 . 1 1 100 100 ILE HD12 H 1 0.812 0.030 . 1 . . . . 100 ILE HD1 . 10026 1 1258 . 1 1 100 100 ILE HD13 H 1 0.812 0.030 . 1 . . . . 100 ILE HD1 . 10026 1 1259 . 1 1 100 100 ILE C C 13 175.873 0.300 . 1 . . . . 100 ILE C . 10026 1 1260 . 1 1 100 100 ILE CA C 13 61.137 0.300 . 1 . . . . 100 ILE CA . 10026 1 1261 . 1 1 100 100 ILE CB C 13 38.433 0.300 . 1 . . . . 100 ILE CB . 10026 1 1262 . 1 1 100 100 ILE CG1 C 13 27.500 0.300 . 1 . . . . 100 ILE CG1 . 10026 1 1263 . 1 1 100 100 ILE CG2 C 13 16.759 0.300 . 1 . . . . 100 ILE CG2 . 10026 1 1264 . 1 1 100 100 ILE CD1 C 13 11.250 0.300 . 1 . . . . 100 ILE CD1 . 10026 1 1265 . 1 1 100 100 ILE N N 15 127.649 0.300 . 1 . . . . 100 ILE N . 10026 1 1266 . 1 1 101 101 SER H H 1 8.564 0.030 . 1 . . . . 101 SER H . 10026 1 1267 . 1 1 101 101 SER HA H 1 4.733 0.030 . 1 . . . . 101 SER HA . 10026 1 1268 . 1 1 101 101 SER HB2 H 1 3.972 0.030 . 2 . . . . 101 SER HB2 . 10026 1 1269 . 1 1 101 101 SER HB3 H 1 3.851 0.030 . 2 . . . . 101 SER HB3 . 10026 1 1270 . 1 1 101 101 SER C C 13 172.780 0.300 . 1 . . . . 101 SER C . 10026 1 1271 . 1 1 101 101 SER CA C 13 58.268 0.300 . 1 . . . . 101 SER CA . 10026 1 1272 . 1 1 101 101 SER CB C 13 65.335 0.300 . 1 . . . . 101 SER CB . 10026 1 1273 . 1 1 101 101 SER N N 15 113.503 0.300 . 1 . . . . 101 SER N . 10026 1 1274 . 1 1 102 102 GLY H H 1 8.582 0.030 . 1 . . . . 102 GLY H . 10026 1 1275 . 1 1 102 102 GLY HA2 H 1 5.047 0.030 . 2 . . . . 102 GLY HA2 . 10026 1 1276 . 1 1 102 102 GLY HA3 H 1 4.087 0.030 . 2 . . . . 102 GLY HA3 . 10026 1 1277 . 1 1 102 102 GLY C C 13 174.699 0.300 . 1 . . . . 102 GLY C . 10026 1 1278 . 1 1 102 102 GLY CA C 13 43.602 0.300 . 1 . . . . 102 GLY CA . 10026 1 1279 . 1 1 102 102 GLY N N 15 109.988 0.300 . 1 . . . . 102 GLY N . 10026 1 1280 . 1 1 103 103 THR H H 1 9.020 0.030 . 1 . . . . 103 THR H . 10026 1 1281 . 1 1 103 103 THR HA H 1 4.364 0.030 . 1 . . . . 103 THR HA . 10026 1 1282 . 1 1 103 103 THR HB H 1 4.733 0.030 . 1 . . . . 103 THR HB . 10026 1 1283 . 1 1 103 103 THR HG21 H 1 1.479 0.030 . 1 . . . . 103 THR HG2 . 10026 1 1284 . 1 1 103 103 THR HG22 H 1 1.479 0.030 . 1 . . . . 103 THR HG2 . 10026 1 1285 . 1 1 103 103 THR HG23 H 1 1.479 0.030 . 1 . . . . 103 THR HG2 . 10026 1 1286 . 1 1 103 103 THR C C 13 175.598 0.300 . 1 . . . . 103 THR C . 10026 1 1287 . 1 1 103 103 THR CA C 13 61.851 0.300 . 1 . . . . 103 THR CA . 10026 1 1288 . 1 1 103 103 THR CB C 13 70.236 0.300 . 1 . . . . 103 THR CB . 10026 1 1289 . 1 1 103 103 THR CG2 C 13 22.146 0.300 . 1 . . . . 103 THR CG2 . 10026 1 1290 . 1 1 103 103 THR N N 15 111.355 0.300 . 1 . . . . 103 THR N . 10026 1 1291 . 1 1 104 104 SER H H 1 8.890 0.030 . 1 . . . . 104 SER H . 10026 1 1292 . 1 1 104 104 SER HB2 H 1 4.189 0.030 . 2 . . . . 104 SER HB2 . 10026 1 1293 . 1 1 104 104 SER HB3 H 1 4.020 0.030 . 2 . . . . 104 SER HB3 . 10026 1 1294 . 1 1 104 104 SER C C 13 177.177 0.300 . 1 . . . . 104 SER C . 10026 1 1295 . 1 1 104 104 SER CB C 13 62.698 0.300 . 1 . . . . 104 SER CB . 10026 1 1296 . 1 1 104 104 SER N N 15 117.009 0.300 . 1 . . . . 104 SER N . 10026 1 1297 . 1 1 105 105 ILE H H 1 8.040 0.030 . 1 . . . . 105 ILE H . 10026 1 1298 . 1 1 105 105 ILE HA H 1 3.936 0.030 . 1 . . . . 105 ILE HA . 10026 1 1299 . 1 1 105 105 ILE HB H 1 1.782 0.030 . 1 . . . . 105 ILE HB . 10026 1 1300 . 1 1 105 105 ILE HG12 H 1 1.543 0.030 . 2 . . . . 105 ILE HG12 . 10026 1 1301 . 1 1 105 105 ILE HG13 H 1 1.271 0.030 . 2 . . . . 105 ILE HG13 . 10026 1 1302 . 1 1 105 105 ILE HG21 H 1 0.947 0.030 . 1 . . . . 105 ILE HG2 . 10026 1 1303 . 1 1 105 105 ILE HG22 H 1 0.947 0.030 . 1 . . . . 105 ILE HG2 . 10026 1 1304 . 1 1 105 105 ILE HG23 H 1 0.947 0.030 . 1 . . . . 105 ILE HG2 . 10026 1 1305 . 1 1 105 105 ILE HD11 H 1 0.918 0.030 . 1 . . . . 105 ILE HD1 . 10026 1 1306 . 1 1 105 105 ILE HD12 H 1 0.918 0.030 . 1 . . . . 105 ILE HD1 . 10026 1 1307 . 1 1 105 105 ILE HD13 H 1 0.918 0.030 . 1 . . . . 105 ILE HD1 . 10026 1 1308 . 1 1 105 105 ILE C C 13 176.837 0.300 . 1 . . . . 105 ILE C . 10026 1 1309 . 1 1 105 105 ILE CA C 13 63.643 0.300 . 1 . . . . 105 ILE CA . 10026 1 1310 . 1 1 105 105 ILE CB C 13 38.253 0.300 . 1 . . . . 105 ILE CB . 10026 1 1311 . 1 1 105 105 ILE CG1 C 13 29.046 0.300 . 1 . . . . 105 ILE CG1 . 10026 1 1312 . 1 1 105 105 ILE CG2 C 13 17.421 0.300 . 1 . . . . 105 ILE CG2 . 10026 1 1313 . 1 1 105 105 ILE CD1 C 13 13.366 0.300 . 1 . . . . 105 ILE CD1 . 10026 1 1314 . 1 1 105 105 ILE N N 15 119.166 0.300 . 1 . . . . 105 ILE N . 10026 1 1315 . 1 1 106 106 ALA H H 1 7.935 0.030 . 1 . . . . 106 ALA H . 10026 1 1316 . 1 1 106 106 ALA HA H 1 4.121 0.030 . 1 . . . . 106 ALA HA . 10026 1 1317 . 1 1 106 106 ALA HB1 H 1 1.477 0.030 . 1 . . . . 106 ALA HB . 10026 1 1318 . 1 1 106 106 ALA HB2 H 1 1.477 0.030 . 1 . . . . 106 ALA HB . 10026 1 1319 . 1 1 106 106 ALA HB3 H 1 1.477 0.030 . 1 . . . . 106 ALA HB . 10026 1 1320 . 1 1 106 106 ALA C C 13 181.670 0.300 . 1 . . . . 106 ALA C . 10026 1 1321 . 1 1 106 106 ALA CA C 13 55.317 0.300 . 1 . . . . 106 ALA CA . 10026 1 1322 . 1 1 106 106 ALA CB C 13 18.496 0.300 . 1 . . . . 106 ALA CB . 10026 1 1323 . 1 1 106 106 ALA N N 15 124.619 0.300 . 1 . . . . 106 ALA N . 10026 1 1324 . 1 1 107 107 PHE H H 1 8.330 0.030 . 1 . . . . 107 PHE H . 10026 1 1325 . 1 1 107 107 PHE HA H 1 4.137 0.030 . 1 . . . . 107 PHE HA . 10026 1 1326 . 1 1 107 107 PHE HB2 H 1 3.189 0.030 . 2 . . . . 107 PHE HB2 . 10026 1 1327 . 1 1 107 107 PHE HB3 H 1 3.043 0.030 . 2 . . . . 107 PHE HB3 . 10026 1 1328 . 1 1 107 107 PHE HD1 H 1 7.019 0.030 . 1 . . . . 107 PHE HD1 . 10026 1 1329 . 1 1 107 107 PHE HD2 H 1 7.019 0.030 . 1 . . . . 107 PHE HD2 . 10026 1 1330 . 1 1 107 107 PHE HE1 H 1 7.071 0.030 . 1 . . . . 107 PHE HE1 . 10026 1 1331 . 1 1 107 107 PHE HE2 H 1 7.071 0.030 . 1 . . . . 107 PHE HE2 . 10026 1 1332 . 1 1 107 107 PHE C C 13 174.626 0.300 . 1 . . . . 107 PHE C . 10026 1 1333 . 1 1 107 107 PHE CA C 13 59.814 0.300 . 1 . . . . 107 PHE CA . 10026 1 1334 . 1 1 107 107 PHE CB C 13 39.094 0.300 . 1 . . . . 107 PHE CB . 10026 1 1335 . 1 1 107 107 PHE CD1 C 13 131.760 0.300 . 1 . . . . 107 PHE CD1 . 10026 1 1336 . 1 1 107 107 PHE CD2 C 13 131.760 0.300 . 1 . . . . 107 PHE CD2 . 10026 1 1337 . 1 1 107 107 PHE CE1 C 13 129.770 0.300 . 1 . . . . 107 PHE CE1 . 10026 1 1338 . 1 1 107 107 PHE CE2 C 13 129.770 0.300 . 1 . . . . 107 PHE CE2 . 10026 1 1339 . 1 1 107 107 PHE N N 15 118.944 0.300 . 1 . . . . 107 PHE N . 10026 1 1340 . 1 1 108 108 LYS H H 1 8.682 0.030 . 1 . . . . 108 LYS H . 10026 1 1341 . 1 1 108 108 LYS HA H 1 3.135 0.030 . 1 . . . . 108 LYS HA . 10026 1 1342 . 1 1 108 108 LYS HB2 H 1 1.819 0.030 . 2 . . . . 108 LYS HB2 . 10026 1 1343 . 1 1 108 108 LYS HB3 H 1 1.789 0.030 . 2 . . . . 108 LYS HB3 . 10026 1 1344 . 1 1 108 108 LYS HG2 H 1 1.557 0.030 . 2 . . . . 108 LYS HG2 . 10026 1 1345 . 1 1 108 108 LYS HG3 H 1 1.267 0.030 . 2 . . . . 108 LYS HG3 . 10026 1 1346 . 1 1 108 108 LYS HD2 H 1 1.613 0.030 . 1 . . . . 108 LYS HD2 . 10026 1 1347 . 1 1 108 108 LYS HD3 H 1 1.613 0.030 . 1 . . . . 108 LYS HD3 . 10026 1 1348 . 1 1 108 108 LYS HE2 H 1 2.903 0.030 . 1 . . . . 108 LYS HE2 . 10026 1 1349 . 1 1 108 108 LYS HE3 H 1 2.903 0.030 . 1 . . . . 108 LYS HE3 . 10026 1 1350 . 1 1 108 108 LYS C C 13 179.387 0.300 . 1 . . . . 108 LYS C . 10026 1 1351 . 1 1 108 108 LYS CA C 13 60.060 0.300 . 1 . . . . 108 LYS CA . 10026 1 1352 . 1 1 108 108 LYS CB C 13 31.901 0.300 . 1 . . . . 108 LYS CB . 10026 1 1353 . 1 1 108 108 LYS CG C 13 25.804 0.300 . 1 . . . . 108 LYS CG . 10026 1 1354 . 1 1 108 108 LYS CD C 13 29.438 0.300 . 1 . . . . 108 LYS CD . 10026 1 1355 . 1 1 108 108 LYS CE C 13 41.998 0.300 . 1 . . . . 108 LYS CE . 10026 1 1356 . 1 1 108 108 LYS N N 15 119.752 0.300 . 1 . . . . 108 LYS N . 10026 1 1357 . 1 1 109 109 ASN H H 1 8.179 0.030 . 1 . . . . 109 ASN H . 10026 1 1358 . 1 1 109 109 ASN HA H 1 4.291 0.030 . 1 . . . . 109 ASN HA . 10026 1 1359 . 1 1 109 109 ASN HB2 H 1 2.797 0.030 . 2 . . . . 109 ASN HB2 . 10026 1 1360 . 1 1 109 109 ASN HB3 H 1 2.660 0.030 . 2 . . . . 109 ASN HB3 . 10026 1 1361 . 1 1 109 109 ASN HD21 H 1 7.521 0.030 . 2 . . . . 109 ASN HD21 . 10026 1 1362 . 1 1 109 109 ASN HD22 H 1 6.786 0.030 . 2 . . . . 109 ASN HD22 . 10026 1 1363 . 1 1 109 109 ASN C C 13 177.760 0.300 . 1 . . . . 109 ASN C . 10026 1 1364 . 1 1 109 109 ASN CA C 13 56.038 0.300 . 1 . . . . 109 ASN CA . 10026 1 1365 . 1 1 109 109 ASN CB C 13 37.880 0.300 . 1 . . . . 109 ASN CB . 10026 1 1366 . 1 1 109 109 ASN N N 15 117.305 0.300 . 1 . . . . 109 ASN N . 10026 1 1367 . 1 1 109 109 ASN ND2 N 15 111.251 0.300 . 1 . . . . 109 ASN ND2 . 10026 1 1368 . 1 1 110 110 ILE H H 1 7.530 0.030 . 1 . . . . 110 ILE H . 10026 1 1369 . 1 1 110 110 ILE HA H 1 4.049 0.030 . 1 . . . . 110 ILE HA . 10026 1 1370 . 1 1 110 110 ILE HB H 1 1.499 0.030 . 1 . . . . 110 ILE HB . 10026 1 1371 . 1 1 110 110 ILE HG12 H 1 0.856 0.030 . 2 . . . . 110 ILE HG12 . 10026 1 1372 . 1 1 110 110 ILE HG13 H 1 0.777 0.030 . 2 . . . . 110 ILE HG13 . 10026 1 1373 . 1 1 110 110 ILE HG21 H 1 0.222 0.030 . 1 . . . . 110 ILE HG2 . 10026 1 1374 . 1 1 110 110 ILE HG22 H 1 0.222 0.030 . 1 . . . . 110 ILE HG2 . 10026 1 1375 . 1 1 110 110 ILE HG23 H 1 0.222 0.030 . 1 . . . . 110 ILE HG2 . 10026 1 1376 . 1 1 110 110 ILE HD11 H 1 0.330 0.030 . 1 . . . . 110 ILE HD1 . 10026 1 1377 . 1 1 110 110 ILE HD12 H 1 0.330 0.030 . 1 . . . . 110 ILE HD1 . 10026 1 1378 . 1 1 110 110 ILE HD13 H 1 0.330 0.030 . 1 . . . . 110 ILE HD1 . 10026 1 1379 . 1 1 110 110 ILE C C 13 175.549 0.300 . 1 . . . . 110 ILE C . 10026 1 1380 . 1 1 110 110 ILE CA C 13 60.505 0.300 . 1 . . . . 110 ILE CA . 10026 1 1381 . 1 1 110 110 ILE CB C 13 37.596 0.300 . 1 . . . . 110 ILE CB . 10026 1 1382 . 1 1 110 110 ILE CG1 C 13 30.389 0.300 . 1 . . . . 110 ILE CG1 . 10026 1 1383 . 1 1 110 110 ILE CG2 C 13 17.773 0.300 . 1 . . . . 110 ILE CG2 . 10026 1 1384 . 1 1 110 110 ILE CD1 C 13 12.744 0.300 . 1 . . . . 110 ILE CD1 . 10026 1 1385 . 1 1 110 110 ILE N N 15 120.533 0.300 . 1 . . . . 110 ILE N . 10026 1 1386 . 1 1 111 111 ALA H H 1 7.848 0.030 . 1 . . . . 111 ALA H . 10026 1 1387 . 1 1 111 111 ALA HA H 1 2.997 0.030 . 1 . . . . 111 ALA HA . 10026 1 1388 . 1 1 111 111 ALA HB1 H 1 -0.116 0.030 . 1 . . . . 111 ALA HB . 10026 1 1389 . 1 1 111 111 ALA HB2 H 1 -0.116 0.030 . 1 . . . . 111 ALA HB . 10026 1 1390 . 1 1 111 111 ALA HB3 H 1 -0.116 0.030 . 1 . . . . 111 ALA HB . 10026 1 1391 . 1 1 111 111 ALA C C 13 178.294 0.300 . 1 . . . . 111 ALA C . 10026 1 1392 . 1 1 111 111 ALA CA C 13 54.544 0.300 . 1 . . . . 111 ALA CA . 10026 1 1393 . 1 1 111 111 ALA CB C 13 17.147 0.300 . 1 . . . . 111 ALA CB . 10026 1 1394 . 1 1 111 111 ALA N N 15 125.108 0.300 . 1 . . . . 111 ALA N . 10026 1 1395 . 1 1 112 112 SER H H 1 7.545 0.030 . 1 . . . . 112 SER H . 10026 1 1396 . 1 1 112 112 SER HA H 1 3.652 0.030 . 1 . . . . 112 SER HA . 10026 1 1397 . 1 1 112 112 SER HB2 H 1 3.813 0.030 . 2 . . . . 112 SER HB2 . 10026 1 1398 . 1 1 112 112 SER HB3 H 1 3.742 0.030 . 2 . . . . 112 SER HB3 . 10026 1 1399 . 1 1 112 112 SER C C 13 176.011 0.300 . 1 . . . . 112 SER C . 10026 1 1400 . 1 1 112 112 SER CA C 13 61.779 0.300 . 1 . . . . 112 SER CA . 10026 1 1401 . 1 1 112 112 SER CB C 13 62.710 0.300 . 1 . . . . 112 SER CB . 10026 1 1402 . 1 1 112 112 SER N N 15 109.402 0.300 . 1 . . . . 112 SER N . 10026 1 1403 . 1 1 113 113 LYS H H 1 7.212 0.030 . 1 . . . . 113 LYS H . 10026 1 1404 . 1 1 113 113 LYS HA H 1 3.952 0.030 . 1 . . . . 113 LYS HA . 10026 1 1405 . 1 1 113 113 LYS HB2 H 1 1.799 0.030 . 2 . . . . 113 LYS HB2 . 10026 1 1406 . 1 1 113 113 LYS HB3 H 1 1.744 0.030 . 2 . . . . 113 LYS HB3 . 10026 1 1407 . 1 1 113 113 LYS HG2 H 1 1.544 0.030 . 1 . . . . 113 LYS HG2 . 10026 1 1408 . 1 1 113 113 LYS HG3 H 1 1.544 0.030 . 1 . . . . 113 LYS HG3 . 10026 1 1409 . 1 1 113 113 LYS HD2 H 1 1.566 0.030 . 1 . . . . 113 LYS HD2 . 10026 1 1410 . 1 1 113 113 LYS HD3 H 1 1.566 0.030 . 1 . . . . 113 LYS HD3 . 10026 1 1411 . 1 1 113 113 LYS HE2 H 1 2.901 0.030 . 1 . . . . 113 LYS HE2 . 10026 1 1412 . 1 1 113 113 LYS HE3 H 1 2.901 0.030 . 1 . . . . 113 LYS HE3 . 10026 1 1413 . 1 1 113 113 LYS C C 13 178.440 0.300 . 1 . . . . 113 LYS C . 10026 1 1414 . 1 1 113 113 LYS CA C 13 59.546 0.300 . 1 . . . . 113 LYS CA . 10026 1 1415 . 1 1 113 113 LYS CB C 13 32.949 0.300 . 1 . . . . 113 LYS CB . 10026 1 1416 . 1 1 113 113 LYS CG C 13 29.121 0.300 . 1 . . . . 113 LYS CG . 10026 1 1417 . 1 1 113 113 LYS CE C 13 42.173 0.300 . 1 . . . . 113 LYS CE . 10026 1 1418 . 1 1 113 113 LYS N N 15 123.072 0.300 . 1 . . . . 113 LYS N . 10026 1 1419 . 1 1 114 114 ILE H H 1 7.825 0.030 . 1 . . . . 114 ILE H . 10026 1 1420 . 1 1 114 114 ILE HA H 1 3.392 0.030 . 1 . . . . 114 ILE HA . 10026 1 1421 . 1 1 114 114 ILE HB H 1 1.880 0.030 . 1 . . . . 114 ILE HB . 10026 1 1422 . 1 1 114 114 ILE HG12 H 1 1.524 0.030 . 2 . . . . 114 ILE HG12 . 10026 1 1423 . 1 1 114 114 ILE HG13 H 1 1.265 0.030 . 2 . . . . 114 ILE HG13 . 10026 1 1424 . 1 1 114 114 ILE HG21 H 1 0.890 0.030 . 1 . . . . 114 ILE HG2 . 10026 1 1425 . 1 1 114 114 ILE HG22 H 1 0.890 0.030 . 1 . . . . 114 ILE HG2 . 10026 1 1426 . 1 1 114 114 ILE HG23 H 1 0.890 0.030 . 1 . . . . 114 ILE HG2 . 10026 1 1427 . 1 1 114 114 ILE HD11 H 1 0.873 0.030 . 1 . . . . 114 ILE HD1 . 10026 1 1428 . 1 1 114 114 ILE HD12 H 1 0.873 0.030 . 1 . . . . 114 ILE HD1 . 10026 1 1429 . 1 1 114 114 ILE HD13 H 1 0.873 0.030 . 1 . . . . 114 ILE HD1 . 10026 1 1430 . 1 1 114 114 ILE C C 13 177.565 0.300 . 1 . . . . 114 ILE C . 10026 1 1431 . 1 1 114 114 ILE CA C 13 63.748 0.300 . 1 . . . . 114 ILE CA . 10026 1 1432 . 1 1 114 114 ILE CB C 13 37.078 0.300 . 1 . . . . 114 ILE CB . 10026 1 1433 . 1 1 114 114 ILE CG1 C 13 28.637 0.300 . 1 . . . . 114 ILE CG1 . 10026 1 1434 . 1 1 114 114 ILE CG2 C 13 17.297 0.300 . 1 . . . . 114 ILE CG2 . 10026 1 1435 . 1 1 114 114 ILE CD1 C 13 13.637 0.300 . 1 . . . . 114 ILE CD1 . 10026 1 1436 . 1 1 114 114 ILE N N 15 118.190 0.300 . 1 . . . . 114 ILE N . 10026 1 1437 . 1 1 115 115 ALA H H 1 8.355 0.030 . 1 . . . . 115 ALA H . 10026 1 1438 . 1 1 115 115 ALA HA H 1 3.496 0.030 . 1 . . . . 115 ALA HA . 10026 1 1439 . 1 1 115 115 ALA HB1 H 1 0.281 0.030 . 1 . . . . 115 ALA HB . 10026 1 1440 . 1 1 115 115 ALA HB2 H 1 0.281 0.030 . 1 . . . . 115 ALA HB . 10026 1 1441 . 1 1 115 115 ALA HB3 H 1 0.281 0.030 . 1 . . . . 115 ALA HB . 10026 1 1442 . 1 1 115 115 ALA C C 13 179.484 0.300 . 1 . . . . 115 ALA C . 10026 1 1443 . 1 1 115 115 ALA CA C 13 55.598 0.300 . 1 . . . . 115 ALA CA . 10026 1 1444 . 1 1 115 115 ALA CB C 13 17.689 0.300 . 1 . . . . 115 ALA CB . 10026 1 1445 . 1 1 115 115 ALA N N 15 119.903 0.300 . 1 . . . . 115 ALA N . 10026 1 1446 . 1 1 116 116 ASN H H 1 8.017 0.030 . 1 . . . . 116 ASN H . 10026 1 1447 . 1 1 116 116 ASN HA H 1 4.493 0.030 . 1 . . . . 116 ASN HA . 10026 1 1448 . 1 1 116 116 ASN HB2 H 1 2.937 0.030 . 2 . . . . 116 ASN HB2 . 10026 1 1449 . 1 1 116 116 ASN HB3 H 1 2.795 0.030 . 2 . . . . 116 ASN HB3 . 10026 1 1450 . 1 1 116 116 ASN HD21 H 1 7.585 0.030 . 2 . . . . 116 ASN HD21 . 10026 1 1451 . 1 1 116 116 ASN HD22 H 1 6.912 0.030 . 2 . . . . 116 ASN HD22 . 10026 1 1452 . 1 1 116 116 ASN C C 13 179.849 0.300 . 1 . . . . 116 ASN C . 10026 1 1453 . 1 1 116 116 ASN CA C 13 56.371 0.300 . 1 . . . . 116 ASN CA . 10026 1 1454 . 1 1 116 116 ASN CB C 13 38.623 0.300 . 1 . . . . 116 ASN CB . 10026 1 1455 . 1 1 116 116 ASN N N 15 115.396 0.300 . 1 . . . . 116 ASN N . 10026 1 1456 . 1 1 116 116 ASN ND2 N 15 112.864 0.300 . 1 . . . . 116 ASN ND2 . 10026 1 1457 . 1 1 117 117 GLU H H 1 7.926 0.030 . 1 . . . . 117 GLU H . 10026 1 1458 . 1 1 117 117 GLU HA H 1 4.073 0.030 . 1 . . . . 117 GLU HA . 10026 1 1459 . 1 1 117 117 GLU HB2 H 1 2.105 0.030 . 2 . . . . 117 GLU HB2 . 10026 1 1460 . 1 1 117 117 GLU HB3 H 1 2.047 0.030 . 2 . . . . 117 GLU HB3 . 10026 1 1461 . 1 1 117 117 GLU HG2 H 1 2.567 0.030 . 2 . . . . 117 GLU HG2 . 10026 1 1462 . 1 1 117 117 GLU HG3 H 1 2.386 0.030 . 2 . . . . 117 GLU HG3 . 10026 1 1463 . 1 1 117 117 GLU C C 13 178.173 0.300 . 1 . . . . 117 GLU C . 10026 1 1464 . 1 1 117 117 GLU CA C 13 59.022 0.300 . 1 . . . . 117 GLU CA . 10026 1 1465 . 1 1 117 117 GLU CB C 13 29.020 0.300 . 1 . . . . 117 GLU CB . 10026 1 1466 . 1 1 117 117 GLU CG C 13 36.320 0.300 . 1 . . . . 117 GLU CG . 10026 1 1467 . 1 1 117 117 GLU N N 15 121.510 0.300 . 1 . . . . 117 GLU N . 10026 1 1468 . 1 1 118 118 LEU H H 1 7.610 0.030 . 1 . . . . 118 LEU H . 10026 1 1469 . 1 1 118 118 LEU HA H 1 4.236 0.030 . 1 . . . . 118 LEU HA . 10026 1 1470 . 1 1 118 118 LEU HB2 H 1 1.736 0.030 . 2 . . . . 118 LEU HB2 . 10026 1 1471 . 1 1 118 118 LEU HB3 H 1 1.507 0.030 . 2 . . . . 118 LEU HB3 . 10026 1 1472 . 1 1 118 118 LEU HG H 1 1.725 0.030 . 1 . . . . 118 LEU HG . 10026 1 1473 . 1 1 118 118 LEU HD11 H 1 0.681 0.030 . 1 . . . . 118 LEU HD1 . 10026 1 1474 . 1 1 118 118 LEU HD12 H 1 0.681 0.030 . 1 . . . . 118 LEU HD1 . 10026 1 1475 . 1 1 118 118 LEU HD13 H 1 0.681 0.030 . 1 . . . . 118 LEU HD1 . 10026 1 1476 . 1 1 118 118 LEU HD21 H 1 0.795 0.030 . 1 . . . . 118 LEU HD2 . 10026 1 1477 . 1 1 118 118 LEU HD22 H 1 0.795 0.030 . 1 . . . . 118 LEU HD2 . 10026 1 1478 . 1 1 118 118 LEU HD23 H 1 0.795 0.030 . 1 . . . . 118 LEU HD2 . 10026 1 1479 . 1 1 118 118 LEU C C 13 174.722 0.300 . 1 . . . . 118 LEU C . 10026 1 1480 . 1 1 118 118 LEU CA C 13 54.765 0.300 . 1 . . . . 118 LEU CA . 10026 1 1481 . 1 1 118 118 LEU CB C 13 43.589 0.300 . 1 . . . . 118 LEU CB . 10026 1 1482 . 1 1 118 118 LEU CG C 13 26.677 0.300 . 1 . . . . 118 LEU CG . 10026 1 1483 . 1 1 118 118 LEU CD1 C 13 27.994 0.300 . 2 . . . . 118 LEU CD1 . 10026 1 1484 . 1 1 118 118 LEU CD2 C 13 23.412 0.300 . 2 . . . . 118 LEU CD2 . 10026 1 1485 . 1 1 118 118 LEU N N 15 118.617 0.300 . 1 . . . . 118 LEU N . 10026 1 1486 . 1 1 119 119 LYS H H 1 7.800 0.030 . 1 . . . . 119 LYS H . 10026 1 1487 . 1 1 119 119 LYS HA H 1 3.980 0.030 . 1 . . . . 119 LYS HA . 10026 1 1488 . 1 1 119 119 LYS HB2 H 1 2.115 0.030 . 2 . . . . 119 LYS HB2 . 10026 1 1489 . 1 1 119 119 LYS HB3 H 1 1.957 0.030 . 2 . . . . 119 LYS HB3 . 10026 1 1490 . 1 1 119 119 LYS HG2 H 1 1.353 0.030 . 1 . . . . 119 LYS HG2 . 10026 1 1491 . 1 1 119 119 LYS HG3 H 1 1.353 0.030 . 1 . . . . 119 LYS HG3 . 10026 1 1492 . 1 1 119 119 LYS HD2 H 1 1.742 0.030 . 2 . . . . 119 LYS HD2 . 10026 1 1493 . 1 1 119 119 LYS HD3 H 1 1.660 0.030 . 2 . . . . 119 LYS HD3 . 10026 1 1494 . 1 1 119 119 LYS HE2 H 1 3.014 0.030 . 1 . . . . 119 LYS HE2 . 10026 1 1495 . 1 1 119 119 LYS HE3 H 1 3.014 0.030 . 1 . . . . 119 LYS HE3 . 10026 1 1496 . 1 1 119 119 LYS C C 13 176.400 0.300 . 1 . . . . 119 LYS C . 10026 1 1497 . 1 1 119 119 LYS CA C 13 56.968 0.300 . 1 . . . . 119 LYS CA . 10026 1 1498 . 1 1 119 119 LYS CB C 13 28.529 0.300 . 1 . . . . 119 LYS CB . 10026 1 1499 . 1 1 119 119 LYS CG C 13 24.905 0.300 . 1 . . . . 119 LYS CG . 10026 1 1500 . 1 1 119 119 LYS CD C 13 29.061 0.300 . 1 . . . . 119 LYS CD . 10026 1 1501 . 1 1 119 119 LYS CE C 13 42.420 0.300 . 1 . . . . 119 LYS CE . 10026 1 1502 . 1 1 119 119 LYS N N 15 115.116 0.300 . 1 . . . . 119 LYS N . 10026 1 1503 . 1 1 120 120 LEU H H 1 7.962 0.030 . 1 . . . . 120 LEU H . 10026 1 1504 . 1 1 120 120 LEU HA H 1 4.704 0.030 . 1 . . . . 120 LEU HA . 10026 1 1505 . 1 1 120 120 LEU HB2 H 1 1.525 0.030 . 2 . . . . 120 LEU HB2 . 10026 1 1506 . 1 1 120 120 LEU HB3 H 1 1.436 0.030 . 2 . . . . 120 LEU HB3 . 10026 1 1507 . 1 1 120 120 LEU HG H 1 1.715 0.030 . 1 . . . . 120 LEU HG . 10026 1 1508 . 1 1 120 120 LEU HD11 H 1 0.633 0.030 . 1 . . . . 120 LEU HD1 . 10026 1 1509 . 1 1 120 120 LEU HD12 H 1 0.633 0.030 . 1 . . . . 120 LEU HD1 . 10026 1 1510 . 1 1 120 120 LEU HD13 H 1 0.633 0.030 . 1 . . . . 120 LEU HD1 . 10026 1 1511 . 1 1 120 120 LEU HD21 H 1 0.668 0.030 . 1 . . . . 120 LEU HD2 . 10026 1 1512 . 1 1 120 120 LEU HD22 H 1 0.668 0.030 . 1 . . . . 120 LEU HD2 . 10026 1 1513 . 1 1 120 120 LEU HD23 H 1 0.668 0.030 . 1 . . . . 120 LEU HD2 . 10026 1 1514 . 1 1 120 120 LEU C C 13 177.323 0.300 . 1 . . . . 120 LEU C . 10026 1 1515 . 1 1 120 120 LEU CA C 13 53.595 0.300 . 1 . . . . 120 LEU CA . 10026 1 1516 . 1 1 120 120 LEU CB C 13 43.206 0.300 . 1 . . . . 120 LEU CB . 10026 1 1517 . 1 1 120 120 LEU CG C 13 26.029 0.300 . 1 . . . . 120 LEU CG . 10026 1 1518 . 1 1 120 120 LEU CD1 C 13 25.520 0.300 . 2 . . . . 120 LEU CD1 . 10026 1 1519 . 1 1 120 120 LEU CD2 C 13 21.894 0.300 . 2 . . . . 120 LEU CD2 . 10026 1 1520 . 1 1 120 120 LEU N N 15 116.356 0.300 . 1 . . . . 120 LEU N . 10026 1 1521 . 1 1 121 121 SER H H 1 9.152 0.030 . 1 . . . . 121 SER H . 10026 1 1522 . 1 1 121 121 SER HA H 1 5.016 0.030 . 1 . . . . 121 SER HA . 10026 1 1523 . 1 1 121 121 SER HB2 H 1 3.912 0.030 . 1 . . . . 121 SER HB2 . 10026 1 1524 . 1 1 121 121 SER HB3 H 1 3.912 0.030 . 1 . . . . 121 SER HB3 . 10026 1 1525 . 1 1 121 121 SER C C 13 173.849 0.300 . 1 . . . . 121 SER C . 10026 1 1526 . 1 1 121 121 SER CA C 13 57.354 0.300 . 1 . . . . 121 SER CA . 10026 1 1527 . 1 1 121 121 SER CB C 13 65.063 0.300 . 1 . . . . 121 SER CB . 10026 1 1528 . 1 1 121 121 SER N N 15 116.237 0.300 . 1 . . . . 121 SER N . 10026 1 1529 . 1 1 122 122 GLY H H 1 8.745 0.030 . 1 . . . . 122 GLY H . 10026 1 1530 . 1 1 122 122 GLY HA2 H 1 4.438 0.030 . 2 . . . . 122 GLY HA2 . 10026 1 1531 . 1 1 122 122 GLY HA3 H 1 3.463 0.030 . 2 . . . . 122 GLY HA3 . 10026 1 1532 . 1 1 122 122 GLY C C 13 170.837 0.300 . 1 . . . . 122 GLY C . 10026 1 1533 . 1 1 122 122 GLY CA C 13 43.827 0.300 . 1 . . . . 122 GLY CA . 10026 1 1534 . 1 1 122 122 GLY N N 15 112.483 0.300 . 1 . . . . 122 GLY N . 10026 1 1535 . 1 1 123 123 PRO HA H 1 4.388 0.030 . 1 . . . . 123 PRO HA . 10026 1 1536 . 1 1 123 123 PRO HB2 H 1 1.833 0.030 . 2 . . . . 123 PRO HB2 . 10026 1 1537 . 1 1 123 123 PRO HB3 H 1 1.336 0.030 . 2 . . . . 123 PRO HB3 . 10026 1 1538 . 1 1 123 123 PRO HG2 H 1 1.766 0.030 . 2 . . . . 123 PRO HG2 . 10026 1 1539 . 1 1 123 123 PRO HG3 H 1 1.587 0.030 . 2 . . . . 123 PRO HG3 . 10026 1 1540 . 1 1 123 123 PRO HD2 H 1 3.463 0.030 . 2 . . . . 123 PRO HD2 . 10026 1 1541 . 1 1 123 123 PRO HD3 H 1 3.548 0.030 . 2 . . . . 123 PRO HD3 . 10026 1 1542 . 1 1 123 123 PRO C C 13 177.344 0.300 . 1 . . . . 123 PRO C . 10026 1 1543 . 1 1 123 123 PRO CA C 13 63.054 0.300 . 1 . . . . 123 PRO CA . 10026 1 1544 . 1 1 123 123 PRO CB C 13 34.675 0.300 . 1 . . . . 123 PRO CB . 10026 1 1545 . 1 1 123 123 PRO CG C 13 24.444 0.300 . 1 . . . . 123 PRO CG . 10026 1 1546 . 1 1 123 123 PRO CD C 13 49.917 0.300 . 1 . . . . 123 PRO CD . 10026 1 1547 . 1 1 124 124 SER H H 1 8.545 0.030 . 1 . . . . 124 SER H . 10026 1 1548 . 1 1 124 124 SER HA H 1 4.540 0.030 . 1 . . . . 124 SER HA . 10026 1 1549 . 1 1 124 124 SER C C 13 174.456 0.300 . 1 . . . . 124 SER C . 10026 1 1550 . 1 1 124 124 SER CA C 13 58.162 0.300 . 1 . . . . 124 SER CA . 10026 1 1551 . 1 1 124 124 SER CB C 13 64.301 0.300 . 1 . . . . 124 SER CB . 10026 1 1552 . 1 1 124 124 SER N N 15 116.237 0.300 . 1 . . . . 124 SER N . 10026 1 1553 . 1 1 125 125 SER H H 1 8.403 0.030 . 1 . . . . 125 SER H . 10026 1 1554 . 1 1 125 125 SER HA H 1 4.598 0.030 . 1 . . . . 125 SER HA . 10026 1 1555 . 1 1 125 125 SER C C 13 173.971 0.300 . 1 . . . . 125 SER C . 10026 1 1556 . 1 1 125 125 SER CA C 13 58.268 0.300 . 1 . . . . 125 SER CA . 10026 1 1557 . 1 1 125 125 SER CB C 13 64.136 0.300 . 1 . . . . 125 SER CB . 10026 1 1558 . 1 1 125 125 SER N N 15 117.631 0.300 . 1 . . . . 125 SER N . 10026 1 1559 . 1 1 126 126 GLY H H 1 8.044 0.030 . 1 . . . . 126 GLY H . 10026 1 1560 . 1 1 126 126 GLY HA2 H 1 3.788 0.030 . 2 . . . . 126 GLY HA2 . 10026 1 1561 . 1 1 126 126 GLY HA3 H 1 3.707 0.030 . 2 . . . . 126 GLY HA3 . 10026 1 1562 . 1 1 126 126 GLY C C 13 178.634 0.300 . 1 . . . . 126 GLY C . 10026 1 1563 . 1 1 126 126 GLY CA C 13 46.198 0.300 . 1 . . . . 126 GLY CA . 10026 1 1564 . 1 1 126 126 GLY N N 15 116.468 0.300 . 1 . . . . 126 GLY N . 10026 1 stop_ save_