data_11084 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11084 _Entry.Title ; Solution structure of the CH domain of human calponin-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-12-28 _Entry.Accession_date 2009-12-28 _Entry.Last_release_date 2011-01-04 _Entry.Original_release_date 2011-01-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 T. Tomizawa . . . 11084 2 T. Kigawa . . . 11084 3 S. Koshiba . . . 11084 4 M. Inoue . . . 11084 5 S. Yokoyama . . . 11084 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11084 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11084 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 617 11084 '15N chemical shifts' 151 11084 '1H chemical shifts' 982 11084 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 . . 2011-01-04 2009-12-28 original author . 11084 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WYN 'BMRB Entry Tracking System' 11084 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11084 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the CH domain of human calponin-2' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 T. Tomizawa . . . 11084 1 2 T. Kigawa . . . 11084 1 3 S. Koshiba . . . 11084 1 4 M. Inoue . . . 11084 1 5 S. Yokoyama . . . 11084 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11084 _Assembly.ID 1 _Assembly.Name Calponin-2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'CH domain' 1 $entity_1 A . yes native no no . . . 11084 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 1wyn . . . . . . 11084 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11084 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CH domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGNRLLSKYDPQKEA ELRTWIEGLTGLSIGPDFQK GLKDGTILCTLMNKLQPGSV PKINRSMQNWHQLENLSNFI KAMVSYGMNPVDLFEANDLF ESGNMTQVQVSLLALAGKAK TKGLQSGVDIGVKYSEKQER 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 146 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1WYN . "Solution Structure Of The Ch Domain Of Human Calponin-2" . . . . . 100.00 146 100.00 100.00 2.35e-100 . . . . 11084 1 2 no GB AAH08181 . "Cnn2 protein [Mus musculus]" . . . . . 61.64 242 98.89 100.00 7.66e-55 . . . . 11084 1 3 no GB EHH29410 . "Calponin H2, smooth muscle, partial [Macaca mulatta]" . . . . . 91.78 297 97.01 99.25 1.91e-87 . . . . 11084 1 4 no GB ERE72360 . "ATP-binding cassette sub-family A member 7 [Cricetulus griseus]" . . . . . 90.41 2318 96.97 99.24 1.71e-78 . . . . 11084 1 5 no REF XP_003813803 . "PREDICTED: calponin-2 [Pan paniscus]" . . . . . 61.64 246 98.89 100.00 1.17e-54 . . . . 11084 1 6 no REF XP_005587402 . "PREDICTED: calponin-2 [Macaca fascicularis]" . . . . . 61.64 246 98.89 100.00 1.21e-54 . . . . 11084 1 7 no REF XP_007176698 . "PREDICTED: calponin-2 isoform X1 [Balaenoptera acutorostrata scammoni]" . . . . . 90.41 384 96.97 98.48 1.71e-85 . . . . 11084 1 8 no REF XP_007176699 . "PREDICTED: calponin-2 isoform X2 [Balaenoptera acutorostrata scammoni]" . . . . . 89.73 337 97.71 99.24 5.24e-86 . . . . 11084 1 9 no REF XP_008068876 . "PREDICTED: calponin-2-like [Tarsius syrichta]" . . . . . 74.66 394 97.25 98.17 1.52e-68 . . . . 11084 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 11084 1 2 . SER . 11084 1 3 . SER . 11084 1 4 . GLY . 11084 1 5 . SER . 11084 1 6 . SER . 11084 1 7 . GLY . 11084 1 8 . ASN . 11084 1 9 . ARG . 11084 1 10 . LEU . 11084 1 11 . LEU . 11084 1 12 . SER . 11084 1 13 . LYS . 11084 1 14 . TYR . 11084 1 15 . ASP . 11084 1 16 . PRO . 11084 1 17 . GLN . 11084 1 18 . LYS . 11084 1 19 . GLU . 11084 1 20 . ALA . 11084 1 21 . GLU . 11084 1 22 . LEU . 11084 1 23 . ARG . 11084 1 24 . THR . 11084 1 25 . TRP . 11084 1 26 . ILE . 11084 1 27 . GLU . 11084 1 28 . GLY . 11084 1 29 . LEU . 11084 1 30 . THR . 11084 1 31 . GLY . 11084 1 32 . LEU . 11084 1 33 . SER . 11084 1 34 . ILE . 11084 1 35 . GLY . 11084 1 36 . PRO . 11084 1 37 . ASP . 11084 1 38 . PHE . 11084 1 39 . GLN . 11084 1 40 . LYS . 11084 1 41 . GLY . 11084 1 42 . LEU . 11084 1 43 . LYS . 11084 1 44 . ASP . 11084 1 45 . GLY . 11084 1 46 . THR . 11084 1 47 . ILE . 11084 1 48 . LEU . 11084 1 49 . CYS . 11084 1 50 . THR . 11084 1 51 . LEU . 11084 1 52 . MET . 11084 1 53 . ASN . 11084 1 54 . LYS . 11084 1 55 . LEU . 11084 1 56 . GLN . 11084 1 57 . PRO . 11084 1 58 . GLY . 11084 1 59 . SER . 11084 1 60 . VAL . 11084 1 61 . PRO . 11084 1 62 . LYS . 11084 1 63 . ILE . 11084 1 64 . ASN . 11084 1 65 . ARG . 11084 1 66 . SER . 11084 1 67 . MET . 11084 1 68 . GLN . 11084 1 69 . ASN . 11084 1 70 . TRP . 11084 1 71 . HIS . 11084 1 72 . GLN . 11084 1 73 . LEU . 11084 1 74 . GLU . 11084 1 75 . ASN . 11084 1 76 . LEU . 11084 1 77 . SER . 11084 1 78 . ASN . 11084 1 79 . PHE . 11084 1 80 . ILE . 11084 1 81 . LYS . 11084 1 82 . ALA . 11084 1 83 . MET . 11084 1 84 . VAL . 11084 1 85 . SER . 11084 1 86 . TYR . 11084 1 87 . GLY . 11084 1 88 . MET . 11084 1 89 . ASN . 11084 1 90 . PRO . 11084 1 91 . VAL . 11084 1 92 . ASP . 11084 1 93 . LEU . 11084 1 94 . PHE . 11084 1 95 . GLU . 11084 1 96 . ALA . 11084 1 97 . ASN . 11084 1 98 . ASP . 11084 1 99 . LEU . 11084 1 100 . PHE . 11084 1 101 . GLU . 11084 1 102 . SER . 11084 1 103 . GLY . 11084 1 104 . ASN . 11084 1 105 . MET . 11084 1 106 . THR . 11084 1 107 . GLN . 11084 1 108 . VAL . 11084 1 109 . GLN . 11084 1 110 . VAL . 11084 1 111 . SER . 11084 1 112 . LEU . 11084 1 113 . LEU . 11084 1 114 . ALA . 11084 1 115 . LEU . 11084 1 116 . ALA . 11084 1 117 . GLY . 11084 1 118 . LYS . 11084 1 119 . ALA . 11084 1 120 . LYS . 11084 1 121 . THR . 11084 1 122 . LYS . 11084 1 123 . GLY . 11084 1 124 . LEU . 11084 1 125 . GLN . 11084 1 126 . SER . 11084 1 127 . GLY . 11084 1 128 . VAL . 11084 1 129 . ASP . 11084 1 130 . ILE . 11084 1 131 . GLY . 11084 1 132 . VAL . 11084 1 133 . LYS . 11084 1 134 . TYR . 11084 1 135 . SER . 11084 1 136 . GLU . 11084 1 137 . LYS . 11084 1 138 . GLN . 11084 1 139 . GLU . 11084 1 140 . ARG . 11084 1 141 . SER . 11084 1 142 . GLY . 11084 1 143 . PRO . 11084 1 144 . SER . 11084 1 145 . SER . 11084 1 146 . GLY . 11084 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11084 1 . SER 2 2 11084 1 . SER 3 3 11084 1 . GLY 4 4 11084 1 . SER 5 5 11084 1 . SER 6 6 11084 1 . GLY 7 7 11084 1 . ASN 8 8 11084 1 . ARG 9 9 11084 1 . LEU 10 10 11084 1 . LEU 11 11 11084 1 . SER 12 12 11084 1 . LYS 13 13 11084 1 . TYR 14 14 11084 1 . ASP 15 15 11084 1 . PRO 16 16 11084 1 . GLN 17 17 11084 1 . LYS 18 18 11084 1 . GLU 19 19 11084 1 . ALA 20 20 11084 1 . GLU 21 21 11084 1 . LEU 22 22 11084 1 . ARG 23 23 11084 1 . THR 24 24 11084 1 . TRP 25 25 11084 1 . ILE 26 26 11084 1 . GLU 27 27 11084 1 . GLY 28 28 11084 1 . LEU 29 29 11084 1 . THR 30 30 11084 1 . GLY 31 31 11084 1 . LEU 32 32 11084 1 . SER 33 33 11084 1 . ILE 34 34 11084 1 . GLY 35 35 11084 1 . PRO 36 36 11084 1 . ASP 37 37 11084 1 . PHE 38 38 11084 1 . GLN 39 39 11084 1 . LYS 40 40 11084 1 . GLY 41 41 11084 1 . LEU 42 42 11084 1 . LYS 43 43 11084 1 . ASP 44 44 11084 1 . GLY 45 45 11084 1 . THR 46 46 11084 1 . ILE 47 47 11084 1 . LEU 48 48 11084 1 . CYS 49 49 11084 1 . THR 50 50 11084 1 . LEU 51 51 11084 1 . MET 52 52 11084 1 . ASN 53 53 11084 1 . LYS 54 54 11084 1 . LEU 55 55 11084 1 . GLN 56 56 11084 1 . PRO 57 57 11084 1 . GLY 58 58 11084 1 . SER 59 59 11084 1 . VAL 60 60 11084 1 . PRO 61 61 11084 1 . LYS 62 62 11084 1 . ILE 63 63 11084 1 . ASN 64 64 11084 1 . ARG 65 65 11084 1 . SER 66 66 11084 1 . MET 67 67 11084 1 . GLN 68 68 11084 1 . ASN 69 69 11084 1 . TRP 70 70 11084 1 . HIS 71 71 11084 1 . GLN 72 72 11084 1 . LEU 73 73 11084 1 . GLU 74 74 11084 1 . ASN 75 75 11084 1 . LEU 76 76 11084 1 . SER 77 77 11084 1 . ASN 78 78 11084 1 . PHE 79 79 11084 1 . ILE 80 80 11084 1 . LYS 81 81 11084 1 . ALA 82 82 11084 1 . MET 83 83 11084 1 . VAL 84 84 11084 1 . SER 85 85 11084 1 . TYR 86 86 11084 1 . GLY 87 87 11084 1 . MET 88 88 11084 1 . ASN 89 89 11084 1 . PRO 90 90 11084 1 . VAL 91 91 11084 1 . ASP 92 92 11084 1 . LEU 93 93 11084 1 . PHE 94 94 11084 1 . GLU 95 95 11084 1 . ALA 96 96 11084 1 . ASN 97 97 11084 1 . ASP 98 98 11084 1 . LEU 99 99 11084 1 . PHE 100 100 11084 1 . GLU 101 101 11084 1 . SER 102 102 11084 1 . GLY 103 103 11084 1 . ASN 104 104 11084 1 . MET 105 105 11084 1 . THR 106 106 11084 1 . GLN 107 107 11084 1 . VAL 108 108 11084 1 . GLN 109 109 11084 1 . VAL 110 110 11084 1 . SER 111 111 11084 1 . LEU 112 112 11084 1 . LEU 113 113 11084 1 . ALA 114 114 11084 1 . LEU 115 115 11084 1 . ALA 116 116 11084 1 . GLY 117 117 11084 1 . LYS 118 118 11084 1 . ALA 119 119 11084 1 . LYS 120 120 11084 1 . THR 121 121 11084 1 . LYS 122 122 11084 1 . GLY 123 123 11084 1 . LEU 124 124 11084 1 . GLN 125 125 11084 1 . SER 126 126 11084 1 . GLY 127 127 11084 1 . VAL 128 128 11084 1 . ASP 129 129 11084 1 . ILE 130 130 11084 1 . GLY 131 131 11084 1 . VAL 132 132 11084 1 . LYS 133 133 11084 1 . TYR 134 134 11084 1 . SER 135 135 11084 1 . GLU 136 136 11084 1 . LYS 137 137 11084 1 . GLN 138 138 11084 1 . GLU 139 139 11084 1 . ARG 140 140 11084 1 . SER 141 141 11084 1 . GLY 142 142 11084 1 . PRO 143 143 11084 1 . SER 144 144 11084 1 . SER 145 145 11084 1 . GLY 146 146 11084 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 11084 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11084 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 11084 _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' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P040607-10 . . . . . . 11084 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11084 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.30mM CH domain [U-15N,13C], 20mM d-Tris-HCl(pH 7.0), 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CH domain' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . protein 1.3 . . mM . . . . 11084 1 2 TRIS '[U-100% 2H]' . . . . . buffer 20 . . mM . . . . 11084 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11084 1 4 DTT '[U-100% 2H]' . . . . . salt 1 . . mM . . . . 11084 1 5 'sodium azide' 'natural abundance' . . . . . salt 0.02 . . % . . . . 11084 1 6 D2O . . . . . . solvent 10 . . % . . . . 11084 1 7 H2O . . . . . . solvent 90 . . % . . . . 11084 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 11084 _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 11084 1 pH 7.0 0.05 pH 11084 1 pressure 1 0.001 atm 11084 1 temperature 298 0.1 K 11084 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11084 _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 . . 11084 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11084 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11084 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11084 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11084 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11084 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11084 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11084 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11084 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9295 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11084 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11084 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11084 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11084 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11084 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 11084 _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_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11084 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11084 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 11084 _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 1H-15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11084 1 2 '3D 1H-13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11084 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11084 _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 . . . . . . . . . 11084 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11084 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11084 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 11084 _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 1H-15N-separated NOESY' 1 $sample_1 isotropic 11084 1 2 '3D 1H-13C-separated NOESY' 1 $sample_1 isotropic 11084 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11084 1 2 $NMRPipe . . 11084 1 3 $NMRview . . 11084 1 4 $Kujira . . 11084 1 5 $CYANA . . 11084 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 8 8 ASN HA H 1 4.623 0.030 . 1 . . . . 8 ASN HA . 11084 1 2 . 1 1 8 8 ASN HB2 H 1 2.763 0.030 . 2 . . . . 8 ASN HB2 . 11084 1 3 . 1 1 8 8 ASN HB3 H 1 2.688 0.030 . 2 . . . . 8 ASN HB3 . 11084 1 4 . 1 1 8 8 ASN HD21 H 1 6.850 0.030 . 2 . . . . 8 ASN HD21 . 11084 1 5 . 1 1 8 8 ASN HD22 H 1 7.523 0.030 . 2 . . . . 8 ASN HD22 . 11084 1 6 . 1 1 8 8 ASN C C 13 173.749 0.300 . 1 . . . . 8 ASN C . 11084 1 7 . 1 1 8 8 ASN CA C 13 50.963 0.300 . 1 . . . . 8 ASN CA . 11084 1 8 . 1 1 8 8 ASN CB C 13 36.567 0.300 . 1 . . . . 8 ASN CB . 11084 1 9 . 1 1 8 8 ASN ND2 N 15 112.293 0.300 . 1 . . . . 8 ASN ND2 . 11084 1 10 . 1 1 9 9 ARG HA H 1 4.228 0.030 . 1 . . . . 9 ARG HA . 11084 1 11 . 1 1 9 9 ARG HB2 H 1 1.793 0.030 . 2 . . . . 9 ARG HB2 . 11084 1 12 . 1 1 9 9 ARG HB3 H 1 1.711 0.030 . 2 . . . . 9 ARG HB3 . 11084 1 13 . 1 1 9 9 ARG HD2 H 1 3.129 0.030 . 1 . . . . 9 ARG HD2 . 11084 1 14 . 1 1 9 9 ARG HD3 H 1 3.129 0.030 . 1 . . . . 9 ARG HD3 . 11084 1 15 . 1 1 9 9 ARG HG2 H 1 1.552 0.030 . 1 . . . . 9 ARG HG2 . 11084 1 16 . 1 1 9 9 ARG HG3 H 1 1.552 0.030 . 1 . . . . 9 ARG HG3 . 11084 1 17 . 1 1 9 9 ARG C C 13 174.362 0.300 . 1 . . . . 9 ARG C . 11084 1 18 . 1 1 9 9 ARG CA C 13 54.166 0.300 . 1 . . . . 9 ARG CA . 11084 1 19 . 1 1 9 9 ARG CB C 13 28.378 0.300 . 1 . . . . 9 ARG CB . 11084 1 20 . 1 1 9 9 ARG CD C 13 41.026 0.300 . 1 . . . . 9 ARG CD . 11084 1 21 . 1 1 9 9 ARG CG C 13 24.776 0.300 . 1 . . . . 9 ARG CG . 11084 1 22 . 1 1 10 10 LEU H H 1 8.177 0.030 . 1 . . . . 10 LEU H . 11084 1 23 . 1 1 10 10 LEU HA H 1 4.263 0.030 . 1 . . . . 10 LEU HA . 11084 1 24 . 1 1 10 10 LEU HB2 H 1 1.590 0.030 . 2 . . . . 10 LEU HB2 . 11084 1 25 . 1 1 10 10 LEU HB3 H 1 1.518 0.030 . 2 . . . . 10 LEU HB3 . 11084 1 26 . 1 1 10 10 LEU HD11 H 1 0.795 0.030 . 1 . . . . 10 LEU HD1 . 11084 1 27 . 1 1 10 10 LEU HD12 H 1 0.795 0.030 . 1 . . . . 10 LEU HD1 . 11084 1 28 . 1 1 10 10 LEU HD13 H 1 0.795 0.030 . 1 . . . . 10 LEU HD1 . 11084 1 29 . 1 1 10 10 LEU HD21 H 1 0.862 0.030 . 1 . . . . 10 LEU HD2 . 11084 1 30 . 1 1 10 10 LEU HD22 H 1 0.862 0.030 . 1 . . . . 10 LEU HD2 . 11084 1 31 . 1 1 10 10 LEU HD23 H 1 0.862 0.030 . 1 . . . . 10 LEU HD2 . 11084 1 32 . 1 1 10 10 LEU HG H 1 1.538 0.030 . 1 . . . . 10 LEU HG . 11084 1 33 . 1 1 10 10 LEU C C 13 175.363 0.300 . 1 . . . . 10 LEU C . 11084 1 34 . 1 1 10 10 LEU CA C 13 53.023 0.300 . 1 . . . . 10 LEU CA . 11084 1 35 . 1 1 10 10 LEU CB C 13 39.775 0.300 . 1 . . . . 10 LEU CB . 11084 1 36 . 1 1 10 10 LEU CD1 C 13 21.217 0.300 . 2 . . . . 10 LEU CD1 . 11084 1 37 . 1 1 10 10 LEU CD2 C 13 22.571 0.300 . 2 . . . . 10 LEU CD2 . 11084 1 38 . 1 1 10 10 LEU CG C 13 24.764 0.300 . 1 . . . . 10 LEU CG . 11084 1 39 . 1 1 10 10 LEU N N 15 122.371 0.300 . 1 . . . . 10 LEU N . 11084 1 40 . 1 1 11 11 LEU H H 1 8.055 0.030 . 1 . . . . 11 LEU H . 11084 1 41 . 1 1 11 11 LEU HA H 1 4.323 0.030 . 1 . . . . 11 LEU HA . 11084 1 42 . 1 1 11 11 LEU HB2 H 1 1.563 0.030 . 1 . . . . 11 LEU HB2 . 11084 1 43 . 1 1 11 11 LEU HB3 H 1 1.563 0.030 . 1 . . . . 11 LEU HB3 . 11084 1 44 . 1 1 11 11 LEU HD11 H 1 0.794 0.030 . 1 . . . . 11 LEU HD1 . 11084 1 45 . 1 1 11 11 LEU HD12 H 1 0.794 0.030 . 1 . . . . 11 LEU HD1 . 11084 1 46 . 1 1 11 11 LEU HD13 H 1 0.794 0.030 . 1 . . . . 11 LEU HD1 . 11084 1 47 . 1 1 11 11 LEU HD21 H 1 0.890 0.030 . 1 . . . . 11 LEU HD2 . 11084 1 48 . 1 1 11 11 LEU HD22 H 1 0.890 0.030 . 1 . . . . 11 LEU HD2 . 11084 1 49 . 1 1 11 11 LEU HD23 H 1 0.890 0.030 . 1 . . . . 11 LEU HD2 . 11084 1 50 . 1 1 11 11 LEU HG H 1 1.564 0.030 . 1 . . . . 11 LEU HG . 11084 1 51 . 1 1 11 11 LEU C C 13 175.332 0.300 . 1 . . . . 11 LEU C . 11084 1 52 . 1 1 11 11 LEU CA C 13 52.716 0.300 . 1 . . . . 11 LEU CA . 11084 1 53 . 1 1 11 11 LEU CB C 13 40.036 0.300 . 1 . . . . 11 LEU CB . 11084 1 54 . 1 1 11 11 LEU CD1 C 13 21.155 0.300 . 2 . . . . 11 LEU CD1 . 11084 1 55 . 1 1 11 11 LEU CD2 C 13 22.784 0.300 . 2 . . . . 11 LEU CD2 . 11084 1 56 . 1 1 11 11 LEU CG C 13 24.705 0.300 . 1 . . . . 11 LEU CG . 11084 1 57 . 1 1 11 11 LEU N N 15 122.488 0.300 . 1 . . . . 11 LEU N . 11084 1 58 . 1 1 12 12 SER H H 1 8.082 0.030 . 1 . . . . 12 SER H . 11084 1 59 . 1 1 12 12 SER HA H 1 4.373 0.030 . 1 . . . . 12 SER HA . 11084 1 60 . 1 1 12 12 SER HB2 H 1 3.743 0.030 . 1 . . . . 12 SER HB2 . 11084 1 61 . 1 1 12 12 SER HB3 H 1 3.743 0.030 . 1 . . . . 12 SER HB3 . 11084 1 62 . 1 1 12 12 SER C C 13 171.882 0.300 . 1 . . . . 12 SER C . 11084 1 63 . 1 1 12 12 SER CA C 13 55.956 0.300 . 1 . . . . 12 SER CA . 11084 1 64 . 1 1 12 12 SER CB C 13 61.594 0.300 . 1 . . . . 12 SER CB . 11084 1 65 . 1 1 12 12 SER N N 15 116.472 0.300 . 1 . . . . 12 SER N . 11084 1 66 . 1 1 13 13 LYS H H 1 8.160 0.030 . 1 . . . . 13 LYS H . 11084 1 67 . 1 1 13 13 LYS HA H 1 4.386 0.030 . 1 . . . . 13 LYS HA . 11084 1 68 . 1 1 13 13 LYS HB2 H 1 1.786 0.030 . 2 . . . . 13 LYS HB2 . 11084 1 69 . 1 1 13 13 LYS HB3 H 1 1.642 0.030 . 2 . . . . 13 LYS HB3 . 11084 1 70 . 1 1 13 13 LYS HD2 H 1 1.643 0.030 . 1 . . . . 13 LYS HD2 . 11084 1 71 . 1 1 13 13 LYS HD3 H 1 1.643 0.030 . 1 . . . . 13 LYS HD3 . 11084 1 72 . 1 1 13 13 LYS HE2 H 1 2.935 0.030 . 1 . . . . 13 LYS HE2 . 11084 1 73 . 1 1 13 13 LYS HE3 H 1 2.935 0.030 . 1 . . . . 13 LYS HE3 . 11084 1 74 . 1 1 13 13 LYS HG2 H 1 1.347 0.030 . 1 . . . . 13 LYS HG2 . 11084 1 75 . 1 1 13 13 LYS HG3 H 1 1.347 0.030 . 1 . . . . 13 LYS HG3 . 11084 1 76 . 1 1 13 13 LYS C C 13 173.403 0.300 . 1 . . . . 13 LYS C . 11084 1 77 . 1 1 13 13 LYS CA C 13 53.121 0.300 . 1 . . . . 13 LYS CA . 11084 1 78 . 1 1 13 13 LYS CB C 13 31.694 0.300 . 1 . . . . 13 LYS CB . 11084 1 79 . 1 1 13 13 LYS CD C 13 26.835 0.300 . 1 . . . . 13 LYS CD . 11084 1 80 . 1 1 13 13 LYS CE C 13 39.818 0.300 . 1 . . . . 13 LYS CE . 11084 1 81 . 1 1 13 13 LYS CG C 13 22.242 0.300 . 1 . . . . 13 LYS CG . 11084 1 82 . 1 1 13 13 LYS N N 15 121.796 0.300 . 1 . . . . 13 LYS N . 11084 1 83 . 1 1 14 14 TYR H H 1 8.306 0.030 . 1 . . . . 14 TYR H . 11084 1 84 . 1 1 14 14 TYR HA H 1 3.745 0.030 . 1 . . . . 14 TYR HA . 11084 1 85 . 1 1 14 14 TYR HB2 H 1 2.839 0.030 . 2 . . . . 14 TYR HB2 . 11084 1 86 . 1 1 14 14 TYR HB3 H 1 2.744 0.030 . 2 . . . . 14 TYR HB3 . 11084 1 87 . 1 1 14 14 TYR HD1 H 1 6.646 0.030 . 1 . . . . 14 TYR HD1 . 11084 1 88 . 1 1 14 14 TYR HD2 H 1 6.646 0.030 . 1 . . . . 14 TYR HD2 . 11084 1 89 . 1 1 14 14 TYR HE1 H 1 6.495 0.030 . 1 . . . . 14 TYR HE1 . 11084 1 90 . 1 1 14 14 TYR HE2 H 1 6.495 0.030 . 1 . . . . 14 TYR HE2 . 11084 1 91 . 1 1 14 14 TYR C C 13 172.983 0.300 . 1 . . . . 14 TYR C . 11084 1 92 . 1 1 14 14 TYR CA C 13 57.684 0.300 . 1 . . . . 14 TYR CA . 11084 1 93 . 1 1 14 14 TYR CB C 13 36.012 0.300 . 1 . . . . 14 TYR CB . 11084 1 94 . 1 1 14 14 TYR CD1 C 13 130.823 0.300 . 1 . . . . 14 TYR CD1 . 11084 1 95 . 1 1 14 14 TYR CD2 C 13 130.823 0.300 . 1 . . . . 14 TYR CD2 . 11084 1 96 . 1 1 14 14 TYR CE1 C 13 115.547 0.300 . 1 . . . . 14 TYR CE1 . 11084 1 97 . 1 1 14 14 TYR CE2 C 13 115.547 0.300 . 1 . . . . 14 TYR CE2 . 11084 1 98 . 1 1 14 14 TYR N N 15 124.960 0.300 . 1 . . . . 14 TYR N . 11084 1 99 . 1 1 15 15 ASP H H 1 8.398 0.030 . 1 . . . . 15 ASP H . 11084 1 100 . 1 1 15 15 ASP HA H 1 5.152 0.030 . 1 . . . . 15 ASP HA . 11084 1 101 . 1 1 15 15 ASP HB2 H 1 2.408 0.030 . 2 . . . . 15 ASP HB2 . 11084 1 102 . 1 1 15 15 ASP HB3 H 1 2.603 0.030 . 2 . . . . 15 ASP HB3 . 11084 1 103 . 1 1 15 15 ASP CA C 13 48.217 0.300 . 1 . . . . 15 ASP CA . 11084 1 104 . 1 1 15 15 ASP CB C 13 41.338 0.300 . 1 . . . . 15 ASP CB . 11084 1 105 . 1 1 15 15 ASP N N 15 129.179 0.300 . 1 . . . . 15 ASP N . 11084 1 106 . 1 1 16 16 PRO HA H 1 4.163 0.030 . 1 . . . . 16 PRO HA . 11084 1 107 . 1 1 16 16 PRO HB2 H 1 1.975 0.030 . 2 . . . . 16 PRO HB2 . 11084 1 108 . 1 1 16 16 PRO HB3 H 1 2.435 0.030 . 2 . . . . 16 PRO HB3 . 11084 1 109 . 1 1 16 16 PRO HD2 H 1 4.083 0.030 . 2 . . . . 16 PRO HD2 . 11084 1 110 . 1 1 16 16 PRO HD3 H 1 3.967 0.030 . 2 . . . . 16 PRO HD3 . 11084 1 111 . 1 1 16 16 PRO HG2 H 1 2.107 0.030 . 2 . . . . 16 PRO HG2 . 11084 1 112 . 1 1 16 16 PRO HG3 H 1 2.072 0.030 . 2 . . . . 16 PRO HG3 . 11084 1 113 . 1 1 16 16 PRO C C 13 177.399 0.300 . 1 . . . . 16 PRO C . 11084 1 114 . 1 1 16 16 PRO CA C 13 62.466 0.300 . 1 . . . . 16 PRO CA . 11084 1 115 . 1 1 16 16 PRO CB C 13 29.988 0.300 . 1 . . . . 16 PRO CB . 11084 1 116 . 1 1 16 16 PRO CD C 13 49.422 0.300 . 1 . . . . 16 PRO CD . 11084 1 117 . 1 1 16 16 PRO CG C 13 25.141 0.300 . 1 . . . . 16 PRO CG . 11084 1 118 . 1 1 17 17 GLN H H 1 8.386 0.030 . 1 . . . . 17 GLN H . 11084 1 119 . 1 1 17 17 GLN HA H 1 4.107 0.030 . 1 . . . . 17 GLN HA . 11084 1 120 . 1 1 17 17 GLN HB2 H 1 2.111 0.030 . 2 . . . . 17 GLN HB2 . 11084 1 121 . 1 1 17 17 GLN HB3 H 1 2.070 0.030 . 2 . . . . 17 GLN HB3 . 11084 1 122 . 1 1 17 17 GLN HE21 H 1 7.638 0.030 . 2 . . . . 17 GLN HE21 . 11084 1 123 . 1 1 17 17 GLN HE22 H 1 6.802 0.030 . 2 . . . . 17 GLN HE22 . 11084 1 124 . 1 1 17 17 GLN HG2 H 1 2.334 0.030 . 2 . . . . 17 GLN HG2 . 11084 1 125 . 1 1 17 17 GLN HG3 H 1 2.296 0.030 . 2 . . . . 17 GLN HG3 . 11084 1 126 . 1 1 17 17 GLN C C 13 177.410 0.300 . 1 . . . . 17 GLN C . 11084 1 127 . 1 1 17 17 GLN CA C 13 56.393 0.300 . 1 . . . . 17 GLN CA . 11084 1 128 . 1 1 17 17 GLN CB C 13 25.298 0.300 . 1 . . . . 17 GLN CB . 11084 1 129 . 1 1 17 17 GLN CG C 13 31.792 0.300 . 1 . . . . 17 GLN CG . 11084 1 130 . 1 1 17 17 GLN N N 15 119.959 0.300 . 1 . . . . 17 GLN N . 11084 1 131 . 1 1 17 17 GLN NE2 N 15 112.420 0.300 . 1 . . . . 17 GLN NE2 . 11084 1 132 . 1 1 18 18 LYS H H 1 7.221 0.030 . 1 . . . . 18 LYS H . 11084 1 133 . 1 1 18 18 LYS HA H 1 4.005 0.030 . 1 . . . . 18 LYS HA . 11084 1 134 . 1 1 18 18 LYS HB2 H 1 1.687 0.030 . 2 . . . . 18 LYS HB2 . 11084 1 135 . 1 1 18 18 LYS HB3 H 1 1.431 0.030 . 2 . . . . 18 LYS HB3 . 11084 1 136 . 1 1 18 18 LYS HD2 H 1 1.448 0.030 . 2 . . . . 18 LYS HD2 . 11084 1 137 . 1 1 18 18 LYS HD3 H 1 1.363 0.030 . 2 . . . . 18 LYS HD3 . 11084 1 138 . 1 1 18 18 LYS HE2 H 1 2.749 0.030 . 2 . . . . 18 LYS HE2 . 11084 1 139 . 1 1 18 18 LYS HE3 H 1 2.818 0.030 . 2 . . . . 18 LYS HE3 . 11084 1 140 . 1 1 18 18 LYS HG2 H 1 1.330 0.030 . 2 . . . . 18 LYS HG2 . 11084 1 141 . 1 1 18 18 LYS HG3 H 1 1.245 0.030 . 2 . . . . 18 LYS HG3 . 11084 1 142 . 1 1 18 18 LYS C C 13 176.625 0.300 . 1 . . . . 18 LYS C . 11084 1 143 . 1 1 18 18 LYS CA C 13 54.926 0.300 . 1 . . . . 18 LYS CA . 11084 1 144 . 1 1 18 18 LYS CB C 13 29.201 0.300 . 1 . . . . 18 LYS CB . 11084 1 145 . 1 1 18 18 LYS CD C 13 25.580 0.300 . 1 . . . . 18 LYS CD . 11084 1 146 . 1 1 18 18 LYS CE C 13 39.814 0.300 . 1 . . . . 18 LYS CE . 11084 1 147 . 1 1 18 18 LYS CG C 13 22.421 0.300 . 1 . . . . 18 LYS CG . 11084 1 148 . 1 1 18 18 LYS N N 15 118.004 0.300 . 1 . . . . 18 LYS N . 11084 1 149 . 1 1 19 19 GLU H H 1 7.209 0.030 . 1 . . . . 19 GLU H . 11084 1 150 . 1 1 19 19 GLU HA H 1 3.418 0.030 . 1 . . . . 19 GLU HA . 11084 1 151 . 1 1 19 19 GLU HB2 H 1 1.428 0.030 . 2 . . . . 19 GLU HB2 . 11084 1 152 . 1 1 19 19 GLU HB3 H 1 2.023 0.030 . 2 . . . . 19 GLU HB3 . 11084 1 153 . 1 1 19 19 GLU HG2 H 1 1.536 0.030 . 2 . . . . 19 GLU HG2 . 11084 1 154 . 1 1 19 19 GLU HG3 H 1 0.971 0.030 . 2 . . . . 19 GLU HG3 . 11084 1 155 . 1 1 19 19 GLU C C 13 175.354 0.300 . 1 . . . . 19 GLU C . 11084 1 156 . 1 1 19 19 GLU CA C 13 57.412 0.300 . 1 . . . . 19 GLU CA . 11084 1 157 . 1 1 19 19 GLU CB C 13 26.863 0.300 . 1 . . . . 19 GLU CB . 11084 1 158 . 1 1 19 19 GLU CG C 13 34.543 0.300 . 1 . . . . 19 GLU CG . 11084 1 159 . 1 1 19 19 GLU N N 15 118.846 0.300 . 1 . . . . 19 GLU N . 11084 1 160 . 1 1 20 20 ALA H H 1 7.353 0.030 . 1 . . . . 20 ALA H . 11084 1 161 . 1 1 20 20 ALA HA H 1 3.990 0.030 . 1 . . . . 20 ALA HA . 11084 1 162 . 1 1 20 20 ALA HB1 H 1 1.473 0.030 . 1 . . . . 20 ALA HB . 11084 1 163 . 1 1 20 20 ALA HB2 H 1 1.473 0.030 . 1 . . . . 20 ALA HB . 11084 1 164 . 1 1 20 20 ALA HB3 H 1 1.473 0.030 . 1 . . . . 20 ALA HB . 11084 1 165 . 1 1 20 20 ALA C C 13 178.244 0.300 . 1 . . . . 20 ALA C . 11084 1 166 . 1 1 20 20 ALA CA C 13 53.393 0.300 . 1 . . . . 20 ALA CA . 11084 1 167 . 1 1 20 20 ALA CB C 13 15.311 0.300 . 1 . . . . 20 ALA CB . 11084 1 168 . 1 1 20 20 ALA N N 15 121.301 0.300 . 1 . . . . 20 ALA N . 11084 1 169 . 1 1 21 21 GLU H H 1 7.531 0.030 . 1 . . . . 21 GLU H . 11084 1 170 . 1 1 21 21 GLU HA H 1 3.994 0.030 . 1 . . . . 21 GLU HA . 11084 1 171 . 1 1 21 21 GLU HB2 H 1 2.049 0.030 . 2 . . . . 21 GLU HB2 . 11084 1 172 . 1 1 21 21 GLU HB3 H 1 1.950 0.030 . 2 . . . . 21 GLU HB3 . 11084 1 173 . 1 1 21 21 GLU HG2 H 1 2.319 0.030 . 2 . . . . 21 GLU HG2 . 11084 1 174 . 1 1 21 21 GLU HG3 H 1 2.069 0.030 . 2 . . . . 21 GLU HG3 . 11084 1 175 . 1 1 21 21 GLU C C 13 178.125 0.300 . 1 . . . . 21 GLU C . 11084 1 176 . 1 1 21 21 GLU CA C 13 57.098 0.300 . 1 . . . . 21 GLU CA . 11084 1 177 . 1 1 21 21 GLU CB C 13 27.469 0.300 . 1 . . . . 21 GLU CB . 11084 1 178 . 1 1 21 21 GLU CG C 13 33.784 0.300 . 1 . . . . 21 GLU CG . 11084 1 179 . 1 1 21 21 GLU N N 15 118.054 0.300 . 1 . . . . 21 GLU N . 11084 1 180 . 1 1 22 22 LEU H H 1 8.203 0.030 . 1 . . . . 22 LEU H . 11084 1 181 . 1 1 22 22 LEU HA H 1 4.334 0.030 . 1 . . . . 22 LEU HA . 11084 1 182 . 1 1 22 22 LEU HB2 H 1 1.362 0.030 . 2 . . . . 22 LEU HB2 . 11084 1 183 . 1 1 22 22 LEU HB3 H 1 2.163 0.030 . 2 . . . . 22 LEU HB3 . 11084 1 184 . 1 1 22 22 LEU HD11 H 1 0.908 0.030 . 1 . . . . 22 LEU HD1 . 11084 1 185 . 1 1 22 22 LEU HD12 H 1 0.908 0.030 . 1 . . . . 22 LEU HD1 . 11084 1 186 . 1 1 22 22 LEU HD13 H 1 0.908 0.030 . 1 . . . . 22 LEU HD1 . 11084 1 187 . 1 1 22 22 LEU HD21 H 1 0.899 0.030 . 1 . . . . 22 LEU HD2 . 11084 1 188 . 1 1 22 22 LEU HD22 H 1 0.899 0.030 . 1 . . . . 22 LEU HD2 . 11084 1 189 . 1 1 22 22 LEU HD23 H 1 0.899 0.030 . 1 . . . . 22 LEU HD2 . 11084 1 190 . 1 1 22 22 LEU HG H 1 1.795 0.030 . 1 . . . . 22 LEU HG . 11084 1 191 . 1 1 22 22 LEU C C 13 177.146 0.300 . 1 . . . . 22 LEU C . 11084 1 192 . 1 1 22 22 LEU CA C 13 55.490 0.300 . 1 . . . . 22 LEU CA . 11084 1 193 . 1 1 22 22 LEU CB C 13 41.440 0.300 . 1 . . . . 22 LEU CB . 11084 1 194 . 1 1 22 22 LEU CD1 C 13 24.693 0.300 . 2 . . . . 22 LEU CD1 . 11084 1 195 . 1 1 22 22 LEU CD2 C 13 21.479 0.300 . 2 . . . . 22 LEU CD2 . 11084 1 196 . 1 1 22 22 LEU CG C 13 24.917 0.300 . 1 . . . . 22 LEU CG . 11084 1 197 . 1 1 22 22 LEU N N 15 120.041 0.300 . 1 . . . . 22 LEU N . 11084 1 198 . 1 1 23 23 ARG H H 1 9.005 0.030 . 1 . . . . 23 ARG H . 11084 1 199 . 1 1 23 23 ARG HA H 1 3.851 0.030 . 1 . . . . 23 ARG HA . 11084 1 200 . 1 1 23 23 ARG HB2 H 1 2.103 0.030 . 2 . . . . 23 ARG HB2 . 11084 1 201 . 1 1 23 23 ARG HB3 H 1 1.971 0.030 . 2 . . . . 23 ARG HB3 . 11084 1 202 . 1 1 23 23 ARG HD2 H 1 3.160 0.030 . 2 . . . . 23 ARG HD2 . 11084 1 203 . 1 1 23 23 ARG HD3 H 1 3.309 0.030 . 2 . . . . 23 ARG HD3 . 11084 1 204 . 1 1 23 23 ARG HE H 1 8.331 0.030 . 1 . . . . 23 ARG HE . 11084 1 205 . 1 1 23 23 ARG HG2 H 1 1.542 0.030 . 2 . . . . 23 ARG HG2 . 11084 1 206 . 1 1 23 23 ARG HG3 H 1 1.794 0.030 . 2 . . . . 23 ARG HG3 . 11084 1 207 . 1 1 23 23 ARG C C 13 175.724 0.300 . 1 . . . . 23 ARG C . 11084 1 208 . 1 1 23 23 ARG CA C 13 58.355 0.300 . 1 . . . . 23 ARG CA . 11084 1 209 . 1 1 23 23 ARG CB C 13 27.917 0.300 . 1 . . . . 23 ARG CB . 11084 1 210 . 1 1 23 23 ARG CD C 13 40.937 0.300 . 1 . . . . 23 ARG CD . 11084 1 211 . 1 1 23 23 ARG CG C 13 26.840 0.300 . 1 . . . . 23 ARG CG . 11084 1 212 . 1 1 23 23 ARG N N 15 119.647 0.300 . 1 . . . . 23 ARG N . 11084 1 213 . 1 1 23 23 ARG NE N 15 85.497 0.300 . 1 . . . . 23 ARG NE . 11084 1 214 . 1 1 24 24 THR H H 1 7.920 0.030 . 1 . . . . 24 THR H . 11084 1 215 . 1 1 24 24 THR HA H 1 3.962 0.030 . 1 . . . . 24 THR HA . 11084 1 216 . 1 1 24 24 THR HB H 1 4.189 0.030 . 1 . . . . 24 THR HB . 11084 1 217 . 1 1 24 24 THR HG21 H 1 1.262 0.030 . 1 . . . . 24 THR HG2 . 11084 1 218 . 1 1 24 24 THR HG22 H 1 1.262 0.030 . 1 . . . . 24 THR HG2 . 11084 1 219 . 1 1 24 24 THR HG23 H 1 1.262 0.030 . 1 . . . . 24 THR HG2 . 11084 1 220 . 1 1 24 24 THR C C 13 175.471 0.300 . 1 . . . . 24 THR C . 11084 1 221 . 1 1 24 24 THR CA C 13 64.082 0.300 . 1 . . . . 24 THR CA . 11084 1 222 . 1 1 24 24 THR CB C 13 66.706 0.300 . 1 . . . . 24 THR CB . 11084 1 223 . 1 1 24 24 THR CG2 C 13 19.642 0.300 . 1 . . . . 24 THR CG2 . 11084 1 224 . 1 1 24 24 THR N N 15 113.681 0.300 . 1 . . . . 24 THR N . 11084 1 225 . 1 1 25 25 TRP H H 1 7.874 0.030 . 1 . . . . 25 TRP H . 11084 1 226 . 1 1 25 25 TRP HA H 1 4.450 0.030 . 1 . . . . 25 TRP HA . 11084 1 227 . 1 1 25 25 TRP HB2 H 1 3.318 0.030 . 2 . . . . 25 TRP HB2 . 11084 1 228 . 1 1 25 25 TRP HB3 H 1 3.505 0.030 . 2 . . . . 25 TRP HB3 . 11084 1 229 . 1 1 25 25 TRP HD1 H 1 7.313 0.030 . 1 . . . . 25 TRP HD1 . 11084 1 230 . 1 1 25 25 TRP HE1 H 1 10.274 0.030 . 1 . . . . 25 TRP HE1 . 11084 1 231 . 1 1 25 25 TRP HE3 H 1 7.493 0.030 . 1 . . . . 25 TRP HE3 . 11084 1 232 . 1 1 25 25 TRP HH2 H 1 6.819 0.030 . 1 . . . . 25 TRP HH2 . 11084 1 233 . 1 1 25 25 TRP HZ2 H 1 7.094 0.030 . 1 . . . . 25 TRP HZ2 . 11084 1 234 . 1 1 25 25 TRP HZ3 H 1 6.854 0.030 . 1 . . . . 25 TRP HZ3 . 11084 1 235 . 1 1 25 25 TRP C C 13 175.632 0.300 . 1 . . . . 25 TRP C . 11084 1 236 . 1 1 25 25 TRP CA C 13 58.551 0.300 . 1 . . . . 25 TRP CA . 11084 1 237 . 1 1 25 25 TRP CB C 13 26.171 0.300 . 1 . . . . 25 TRP CB . 11084 1 238 . 1 1 25 25 TRP CD1 C 13 124.932 0.300 . 1 . . . . 25 TRP CD1 . 11084 1 239 . 1 1 25 25 TRP CE3 C 13 118.458 0.300 . 1 . . . . 25 TRP CE3 . 11084 1 240 . 1 1 25 25 TRP CH2 C 13 120.843 0.300 . 1 . . . . 25 TRP CH2 . 11084 1 241 . 1 1 25 25 TRP CZ2 C 13 111.409 0.300 . 1 . . . . 25 TRP CZ2 . 11084 1 242 . 1 1 25 25 TRP CZ3 C 13 118.533 0.300 . 1 . . . . 25 TRP CZ3 . 11084 1 243 . 1 1 25 25 TRP N N 15 122.959 0.300 . 1 . . . . 25 TRP N . 11084 1 244 . 1 1 25 25 TRP NE1 N 15 131.289 0.300 . 1 . . . . 25 TRP NE1 . 11084 1 245 . 1 1 26 26 ILE H H 1 9.066 0.030 . 1 . . . . 26 ILE H . 11084 1 246 . 1 1 26 26 ILE HA H 1 2.887 0.030 . 1 . . . . 26 ILE HA . 11084 1 247 . 1 1 26 26 ILE HB H 1 1.718 0.030 . 1 . . . . 26 ILE HB . 11084 1 248 . 1 1 26 26 ILE HD11 H 1 0.820 0.030 . 1 . . . . 26 ILE HD1 . 11084 1 249 . 1 1 26 26 ILE HD12 H 1 0.820 0.030 . 1 . . . . 26 ILE HD1 . 11084 1 250 . 1 1 26 26 ILE HD13 H 1 0.820 0.030 . 1 . . . . 26 ILE HD1 . 11084 1 251 . 1 1 26 26 ILE HG12 H 1 0.629 0.030 . 2 . . . . 26 ILE HG12 . 11084 1 252 . 1 1 26 26 ILE HG13 H 1 2.300 0.030 . 2 . . . . 26 ILE HG13 . 11084 1 253 . 1 1 26 26 ILE HG21 H 1 0.475 0.030 . 1 . . . . 26 ILE HG2 . 11084 1 254 . 1 1 26 26 ILE HG22 H 1 0.475 0.030 . 1 . . . . 26 ILE HG2 . 11084 1 255 . 1 1 26 26 ILE HG23 H 1 0.475 0.030 . 1 . . . . 26 ILE HG2 . 11084 1 256 . 1 1 26 26 ILE C C 13 178.510 0.300 . 1 . . . . 26 ILE C . 11084 1 257 . 1 1 26 26 ILE CA C 13 63.279 0.300 . 1 . . . . 26 ILE CA . 11084 1 258 . 1 1 26 26 ILE CB C 13 36.605 0.300 . 1 . . . . 26 ILE CB . 11084 1 259 . 1 1 26 26 ILE CD1 C 13 11.313 0.300 . 1 . . . . 26 ILE CD1 . 11084 1 260 . 1 1 26 26 ILE CG1 C 13 27.449 0.300 . 1 . . . . 26 ILE CG1 . 11084 1 261 . 1 1 26 26 ILE CG2 C 13 15.197 0.300 . 1 . . . . 26 ILE CG2 . 11084 1 262 . 1 1 26 26 ILE N N 15 117.356 0.300 . 1 . . . . 26 ILE N . 11084 1 263 . 1 1 27 27 GLU H H 1 8.965 0.030 . 1 . . . . 27 GLU H . 11084 1 264 . 1 1 27 27 GLU HA H 1 3.920 0.030 . 1 . . . . 27 GLU HA . 11084 1 265 . 1 1 27 27 GLU HB2 H 1 2.004 0.030 . 2 . . . . 27 GLU HB2 . 11084 1 266 . 1 1 27 27 GLU HB3 H 1 1.881 0.030 . 2 . . . . 27 GLU HB3 . 11084 1 267 . 1 1 27 27 GLU HG2 H 1 2.674 0.030 . 1 . . . . 27 GLU HG2 . 11084 1 268 . 1 1 27 27 GLU HG3 H 1 2.674 0.030 . 1 . . . . 27 GLU HG3 . 11084 1 269 . 1 1 27 27 GLU C C 13 178.176 0.300 . 1 . . . . 27 GLU C . 11084 1 270 . 1 1 27 27 GLU CA C 13 57.889 0.300 . 1 . . . . 27 GLU CA . 11084 1 271 . 1 1 27 27 GLU CB C 13 26.361 0.300 . 1 . . . . 27 GLU CB . 11084 1 272 . 1 1 27 27 GLU CG C 13 35.151 0.300 . 1 . . . . 27 GLU CG . 11084 1 273 . 1 1 27 27 GLU N N 15 120.668 0.300 . 1 . . . . 27 GLU N . 11084 1 274 . 1 1 28 28 GLY H H 1 7.872 0.030 . 1 . . . . 28 GLY H . 11084 1 275 . 1 1 28 28 GLY HA2 H 1 3.878 0.030 . 2 . . . . 28 GLY HA2 . 11084 1 276 . 1 1 28 28 GLY HA3 H 1 3.762 0.030 . 2 . . . . 28 GLY HA3 . 11084 1 277 . 1 1 28 28 GLY C C 13 174.021 0.300 . 1 . . . . 28 GLY C . 11084 1 278 . 1 1 28 28 GLY CA C 13 44.736 0.300 . 1 . . . . 28 GLY CA . 11084 1 279 . 1 1 28 28 GLY N N 15 107.378 0.300 . 1 . . . . 28 GLY N . 11084 1 280 . 1 1 29 29 LEU H H 1 7.478 0.030 . 1 . . . . 29 LEU H . 11084 1 281 . 1 1 29 29 LEU HA H 1 4.115 0.030 . 1 . . . . 29 LEU HA . 11084 1 282 . 1 1 29 29 LEU HB2 H 1 0.933 0.030 . 2 . . . . 29 LEU HB2 . 11084 1 283 . 1 1 29 29 LEU HB3 H 1 1.260 0.030 . 2 . . . . 29 LEU HB3 . 11084 1 284 . 1 1 29 29 LEU HD11 H 1 0.409 0.030 . 1 . . . . 29 LEU HD1 . 11084 1 285 . 1 1 29 29 LEU HD12 H 1 0.409 0.030 . 1 . . . . 29 LEU HD1 . 11084 1 286 . 1 1 29 29 LEU HD13 H 1 0.409 0.030 . 1 . . . . 29 LEU HD1 . 11084 1 287 . 1 1 29 29 LEU HD21 H 1 0.637 0.030 . 1 . . . . 29 LEU HD2 . 11084 1 288 . 1 1 29 29 LEU HD22 H 1 0.637 0.030 . 1 . . . . 29 LEU HD2 . 11084 1 289 . 1 1 29 29 LEU HD23 H 1 0.637 0.030 . 1 . . . . 29 LEU HD2 . 11084 1 290 . 1 1 29 29 LEU HG H 1 1.305 0.030 . 1 . . . . 29 LEU HG . 11084 1 291 . 1 1 29 29 LEU C C 13 176.922 0.300 . 1 . . . . 29 LEU C . 11084 1 292 . 1 1 29 29 LEU CA C 13 54.672 0.300 . 1 . . . . 29 LEU CA . 11084 1 293 . 1 1 29 29 LEU CB C 13 41.312 0.300 . 1 . . . . 29 LEU CB . 11084 1 294 . 1 1 29 29 LEU CD1 C 13 22.646 0.300 . 2 . . . . 29 LEU CD1 . 11084 1 295 . 1 1 29 29 LEU CD2 C 13 22.099 0.300 . 2 . . . . 29 LEU CD2 . 11084 1 296 . 1 1 29 29 LEU CG C 13 25.664 0.300 . 1 . . . . 29 LEU CG . 11084 1 297 . 1 1 29 29 LEU N N 15 118.903 0.300 . 1 . . . . 29 LEU N . 11084 1 298 . 1 1 30 30 THR H H 1 7.519 0.030 . 1 . . . . 30 THR H . 11084 1 299 . 1 1 30 30 THR HA H 1 3.899 0.030 . 1 . . . . 30 THR HA . 11084 1 300 . 1 1 30 30 THR HB H 1 3.879 0.030 . 1 . . . . 30 THR HB . 11084 1 301 . 1 1 30 30 THR HG21 H 1 0.988 0.030 . 1 . . . . 30 THR HG2 . 11084 1 302 . 1 1 30 30 THR HG22 H 1 0.988 0.030 . 1 . . . . 30 THR HG2 . 11084 1 303 . 1 1 30 30 THR HG23 H 1 0.988 0.030 . 1 . . . . 30 THR HG2 . 11084 1 304 . 1 1 30 30 THR C C 13 173.769 0.300 . 1 . . . . 30 THR C . 11084 1 305 . 1 1 30 30 THR CA C 13 60.962 0.300 . 1 . . . . 30 THR CA . 11084 1 306 . 1 1 30 30 THR CB C 13 69.031 0.300 . 1 . . . . 30 THR CB . 11084 1 307 . 1 1 30 30 THR CG2 C 13 19.117 0.300 . 1 . . . . 30 THR CG2 . 11084 1 308 . 1 1 30 30 THR N N 15 102.710 0.300 . 1 . . . . 30 THR N . 11084 1 309 . 1 1 31 31 GLY H H 1 8.111 0.030 . 1 . . . . 31 GLY H . 11084 1 310 . 1 1 31 31 GLY HA2 H 1 3.949 0.030 . 2 . . . . 31 GLY HA2 . 11084 1 311 . 1 1 31 31 GLY HA3 H 1 3.756 0.030 . 2 . . . . 31 GLY HA3 . 11084 1 312 . 1 1 31 31 GLY C C 13 171.497 0.300 . 1 . . . . 31 GLY C . 11084 1 313 . 1 1 31 31 GLY CA C 13 43.704 0.300 . 1 . . . . 31 GLY CA . 11084 1 314 . 1 1 31 31 GLY N N 15 110.707 0.300 . 1 . . . . 31 GLY N . 11084 1 315 . 1 1 32 32 LEU H H 1 7.547 0.030 . 1 . . . . 32 LEU H . 11084 1 316 . 1 1 32 32 LEU HA H 1 4.458 0.030 . 1 . . . . 32 LEU HA . 11084 1 317 . 1 1 32 32 LEU HB2 H 1 1.187 0.030 . 2 . . . . 32 LEU HB2 . 11084 1 318 . 1 1 32 32 LEU HB3 H 1 1.468 0.030 . 2 . . . . 32 LEU HB3 . 11084 1 319 . 1 1 32 32 LEU HD11 H 1 0.773 0.030 . 1 . . . . 32 LEU HD1 . 11084 1 320 . 1 1 32 32 LEU HD12 H 1 0.773 0.030 . 1 . . . . 32 LEU HD1 . 11084 1 321 . 1 1 32 32 LEU HD13 H 1 0.773 0.030 . 1 . . . . 32 LEU HD1 . 11084 1 322 . 1 1 32 32 LEU HD21 H 1 0.738 0.030 . 1 . . . . 32 LEU HD2 . 11084 1 323 . 1 1 32 32 LEU HD22 H 1 0.738 0.030 . 1 . . . . 32 LEU HD2 . 11084 1 324 . 1 1 32 32 LEU HD23 H 1 0.738 0.030 . 1 . . . . 32 LEU HD2 . 11084 1 325 . 1 1 32 32 LEU HG H 1 1.374 0.030 . 1 . . . . 32 LEU HG . 11084 1 326 . 1 1 32 32 LEU C C 13 172.911 0.300 . 1 . . . . 32 LEU C . 11084 1 327 . 1 1 32 32 LEU CA C 13 50.782 0.300 . 1 . . . . 32 LEU CA . 11084 1 328 . 1 1 32 32 LEU CB C 13 41.190 0.300 . 1 . . . . 32 LEU CB . 11084 1 329 . 1 1 32 32 LEU CD1 C 13 24.455 0.300 . 2 . . . . 32 LEU CD1 . 11084 1 330 . 1 1 32 32 LEU CD2 C 13 19.829 0.300 . 2 . . . . 32 LEU CD2 . 11084 1 331 . 1 1 32 32 LEU CG C 13 24.419 0.300 . 1 . . . . 32 LEU CG . 11084 1 332 . 1 1 32 32 LEU N N 15 120.583 0.300 . 1 . . . . 32 LEU N . 11084 1 333 . 1 1 33 33 SER H H 1 7.888 0.030 . 1 . . . . 33 SER H . 11084 1 334 . 1 1 33 33 SER HA H 1 4.393 0.030 . 1 . . . . 33 SER HA . 11084 1 335 . 1 1 33 33 SER HB2 H 1 3.605 0.030 . 2 . . . . 33 SER HB2 . 11084 1 336 . 1 1 33 33 SER HB3 H 1 3.538 0.030 . 2 . . . . 33 SER HB3 . 11084 1 337 . 1 1 33 33 SER C C 13 173.050 0.300 . 1 . . . . 33 SER C . 11084 1 338 . 1 1 33 33 SER CA C 13 54.481 0.300 . 1 . . . . 33 SER CA . 11084 1 339 . 1 1 33 33 SER CB C 13 61.610 0.300 . 1 . . . . 33 SER CB . 11084 1 340 . 1 1 33 33 SER N N 15 112.279 0.300 . 1 . . . . 33 SER N . 11084 1 341 . 1 1 34 34 ILE H H 1 9.682 0.030 . 1 . . . . 34 ILE H . 11084 1 342 . 1 1 34 34 ILE HA H 1 3.286 0.030 . 1 . . . . 34 ILE HA . 11084 1 343 . 1 1 34 34 ILE HB H 1 1.669 0.030 . 1 . . . . 34 ILE HB . 11084 1 344 . 1 1 34 34 ILE HD11 H 1 0.841 0.030 . 1 . . . . 34 ILE HD1 . 11084 1 345 . 1 1 34 34 ILE HD12 H 1 0.841 0.030 . 1 . . . . 34 ILE HD1 . 11084 1 346 . 1 1 34 34 ILE HD13 H 1 0.841 0.030 . 1 . . . . 34 ILE HD1 . 11084 1 347 . 1 1 34 34 ILE HG12 H 1 0.613 0.030 . 2 . . . . 34 ILE HG12 . 11084 1 348 . 1 1 34 34 ILE HG13 H 1 1.774 0.030 . 2 . . . . 34 ILE HG13 . 11084 1 349 . 1 1 34 34 ILE HG21 H 1 0.656 0.030 . 1 . . . . 34 ILE HG2 . 11084 1 350 . 1 1 34 34 ILE HG22 H 1 0.656 0.030 . 1 . . . . 34 ILE HG2 . 11084 1 351 . 1 1 34 34 ILE HG23 H 1 0.656 0.030 . 1 . . . . 34 ILE HG2 . 11084 1 352 . 1 1 34 34 ILE C C 13 174.580 0.300 . 1 . . . . 34 ILE C . 11084 1 353 . 1 1 34 34 ILE CA C 13 62.060 0.300 . 1 . . . . 34 ILE CA . 11084 1 354 . 1 1 34 34 ILE CB C 13 37.021 0.300 . 1 . . . . 34 ILE CB . 11084 1 355 . 1 1 34 34 ILE CD1 C 13 13.040 0.300 . 1 . . . . 34 ILE CD1 . 11084 1 356 . 1 1 34 34 ILE CG1 C 13 27.494 0.300 . 1 . . . . 34 ILE CG1 . 11084 1 357 . 1 1 34 34 ILE CG2 C 13 16.268 0.300 . 1 . . . . 34 ILE CG2 . 11084 1 358 . 1 1 34 34 ILE N N 15 128.181 0.300 . 1 . . . . 34 ILE N . 11084 1 359 . 1 1 35 35 GLY H H 1 8.279 0.030 . 1 . . . . 35 GLY H . 11084 1 360 . 1 1 35 35 GLY HA2 H 1 4.323 0.030 . 2 . . . . 35 GLY HA2 . 11084 1 361 . 1 1 35 35 GLY HA3 H 1 3.622 0.030 . 2 . . . . 35 GLY HA3 . 11084 1 362 . 1 1 35 35 GLY C C 13 171.264 0.300 . 1 . . . . 35 GLY C . 11084 1 363 . 1 1 35 35 GLY CA C 13 41.538 0.300 . 1 . . . . 35 GLY CA . 11084 1 364 . 1 1 35 35 GLY N N 15 105.480 0.300 . 1 . . . . 35 GLY N . 11084 1 365 . 1 1 36 36 PRO HA H 1 4.231 0.030 . 1 . . . . 36 PRO HA . 11084 1 366 . 1 1 36 36 PRO HB2 H 1 1.905 0.030 . 2 . . . . 36 PRO HB2 . 11084 1 367 . 1 1 36 36 PRO HB3 H 1 2.208 0.030 . 2 . . . . 36 PRO HB3 . 11084 1 368 . 1 1 36 36 PRO HD2 H 1 3.591 0.030 . 2 . . . . 36 PRO HD2 . 11084 1 369 . 1 1 36 36 PRO HD3 H 1 3.445 0.030 . 2 . . . . 36 PRO HD3 . 11084 1 370 . 1 1 36 36 PRO HG2 H 1 1.945 0.030 . 2 . . . . 36 PRO HG2 . 11084 1 371 . 1 1 36 36 PRO HG3 H 1 1.907 0.030 . 2 . . . . 36 PRO HG3 . 11084 1 372 . 1 1 36 36 PRO C C 13 173.912 0.300 . 1 . . . . 36 PRO C . 11084 1 373 . 1 1 36 36 PRO CA C 13 62.684 0.300 . 1 . . . . 36 PRO CA . 11084 1 374 . 1 1 36 36 PRO CB C 13 29.865 0.300 . 1 . . . . 36 PRO CB . 11084 1 375 . 1 1 36 36 PRO CD C 13 47.036 0.300 . 1 . . . . 36 PRO CD . 11084 1 376 . 1 1 36 36 PRO CG C 13 24.662 0.300 . 1 . . . . 36 PRO CG . 11084 1 377 . 1 1 37 37 ASP H H 1 7.705 0.030 . 1 . . . . 37 ASP H . 11084 1 378 . 1 1 37 37 ASP HA H 1 4.837 0.030 . 1 . . . . 37 ASP HA . 11084 1 379 . 1 1 37 37 ASP HB2 H 1 2.325 0.030 . 2 . . . . 37 ASP HB2 . 11084 1 380 . 1 1 37 37 ASP HB3 H 1 2.630 0.030 . 2 . . . . 37 ASP HB3 . 11084 1 381 . 1 1 37 37 ASP C C 13 173.834 0.300 . 1 . . . . 37 ASP C . 11084 1 382 . 1 1 37 37 ASP CA C 13 50.225 0.300 . 1 . . . . 37 ASP CA . 11084 1 383 . 1 1 37 37 ASP CB C 13 41.103 0.300 . 1 . . . . 37 ASP CB . 11084 1 384 . 1 1 37 37 ASP N N 15 118.019 0.300 . 1 . . . . 37 ASP N . 11084 1 385 . 1 1 38 38 PHE H H 1 9.049 0.030 . 1 . . . . 38 PHE H . 11084 1 386 . 1 1 38 38 PHE HA H 1 3.700 0.030 . 1 . . . . 38 PHE HA . 11084 1 387 . 1 1 38 38 PHE HB2 H 1 3.010 0.030 . 2 . . . . 38 PHE HB2 . 11084 1 388 . 1 1 38 38 PHE HB3 H 1 2.877 0.030 . 2 . . . . 38 PHE HB3 . 11084 1 389 . 1 1 38 38 PHE HD1 H 1 6.927 0.030 . 1 . . . . 38 PHE HD1 . 11084 1 390 . 1 1 38 38 PHE HD2 H 1 6.927 0.030 . 1 . . . . 38 PHE HD2 . 11084 1 391 . 1 1 38 38 PHE HE1 H 1 6.855 0.030 . 1 . . . . 38 PHE HE1 . 11084 1 392 . 1 1 38 38 PHE HE2 H 1 6.855 0.030 . 1 . . . . 38 PHE HE2 . 11084 1 393 . 1 1 38 38 PHE HZ H 1 6.855 0.030 . 1 . . . . 38 PHE HZ . 11084 1 394 . 1 1 38 38 PHE C C 13 172.879 0.300 . 1 . . . . 38 PHE C . 11084 1 395 . 1 1 38 38 PHE CA C 13 59.932 0.300 . 1 . . . . 38 PHE CA . 11084 1 396 . 1 1 38 38 PHE CB C 13 38.128 0.300 . 1 . . . . 38 PHE CB . 11084 1 397 . 1 1 38 38 PHE CD1 C 13 130.500 0.300 . 1 . . . . 38 PHE CD1 . 11084 1 398 . 1 1 38 38 PHE CD2 C 13 130.500 0.300 . 1 . . . . 38 PHE CD2 . 11084 1 399 . 1 1 38 38 PHE CE1 C 13 128.145 0.300 . 1 . . . . 38 PHE CE1 . 11084 1 400 . 1 1 38 38 PHE CE2 C 13 128.145 0.300 . 1 . . . . 38 PHE CE2 . 11084 1 401 . 1 1 38 38 PHE CZ C 13 126.134 0.300 . 1 . . . . 38 PHE CZ . 11084 1 402 . 1 1 38 38 PHE N N 15 130.147 0.300 . 1 . . . . 38 PHE N . 11084 1 403 . 1 1 39 39 GLN H H 1 8.218 0.030 . 1 . . . . 39 GLN H . 11084 1 404 . 1 1 39 39 GLN HA H 1 3.446 0.030 . 1 . . . . 39 GLN HA . 11084 1 405 . 1 1 39 39 GLN HB2 H 1 2.396 0.030 . 2 . . . . 39 GLN HB2 . 11084 1 406 . 1 1 39 39 GLN HB3 H 1 1.903 0.030 . 2 . . . . 39 GLN HB3 . 11084 1 407 . 1 1 39 39 GLN HE21 H 1 7.107 0.030 . 2 . . . . 39 GLN HE21 . 11084 1 408 . 1 1 39 39 GLN HE22 H 1 5.933 0.030 . 2 . . . . 39 GLN HE22 . 11084 1 409 . 1 1 39 39 GLN HG2 H 1 2.930 0.030 . 2 . . . . 39 GLN HG2 . 11084 1 410 . 1 1 39 39 GLN HG3 H 1 2.326 0.030 . 2 . . . . 39 GLN HG3 . 11084 1 411 . 1 1 39 39 GLN C C 13 176.439 0.300 . 1 . . . . 39 GLN C . 11084 1 412 . 1 1 39 39 GLN CA C 13 58.322 0.300 . 1 . . . . 39 GLN CA . 11084 1 413 . 1 1 39 39 GLN CB C 13 23.535 0.300 . 1 . . . . 39 GLN CB . 11084 1 414 . 1 1 39 39 GLN CG C 13 31.270 0.300 . 1 . . . . 39 GLN CG . 11084 1 415 . 1 1 39 39 GLN N N 15 116.759 0.300 . 1 . . . . 39 GLN N . 11084 1 416 . 1 1 39 39 GLN NE2 N 15 106.188 0.300 . 1 . . . . 39 GLN NE2 . 11084 1 417 . 1 1 40 40 LYS H H 1 8.153 0.030 . 1 . . . . 40 LYS H . 11084 1 418 . 1 1 40 40 LYS HA H 1 3.475 0.030 . 1 . . . . 40 LYS HA . 11084 1 419 . 1 1 40 40 LYS HB2 H 1 1.624 0.030 . 2 . . . . 40 LYS HB2 . 11084 1 420 . 1 1 40 40 LYS HB3 H 1 1.582 0.030 . 2 . . . . 40 LYS HB3 . 11084 1 421 . 1 1 40 40 LYS HD2 H 1 1.572 0.030 . 2 . . . . 40 LYS HD2 . 11084 1 422 . 1 1 40 40 LYS HD3 H 1 1.496 0.030 . 2 . . . . 40 LYS HD3 . 11084 1 423 . 1 1 40 40 LYS HE2 H 1 2.907 0.030 . 1 . . . . 40 LYS HE2 . 11084 1 424 . 1 1 40 40 LYS HE3 H 1 2.907 0.030 . 1 . . . . 40 LYS HE3 . 11084 1 425 . 1 1 40 40 LYS HG2 H 1 1.441 0.030 . 2 . . . . 40 LYS HG2 . 11084 1 426 . 1 1 40 40 LYS HG3 H 1 1.276 0.030 . 2 . . . . 40 LYS HG3 . 11084 1 427 . 1 1 40 40 LYS C C 13 177.996 0.300 . 1 . . . . 40 LYS C . 11084 1 428 . 1 1 40 40 LYS CA C 13 57.081 0.300 . 1 . . . . 40 LYS CA . 11084 1 429 . 1 1 40 40 LYS CB C 13 30.409 0.300 . 1 . . . . 40 LYS CB . 11084 1 430 . 1 1 40 40 LYS CD C 13 26.904 0.300 . 1 . . . . 40 LYS CD . 11084 1 431 . 1 1 40 40 LYS CE C 13 39.796 0.300 . 1 . . . . 40 LYS CE . 11084 1 432 . 1 1 40 40 LYS CG C 13 23.529 0.300 . 1 . . . . 40 LYS CG . 11084 1 433 . 1 1 40 40 LYS N N 15 118.031 0.300 . 1 . . . . 40 LYS N . 11084 1 434 . 1 1 41 41 GLY H H 1 8.210 0.030 . 1 . . . . 41 GLY H . 11084 1 435 . 1 1 41 41 GLY HA2 H 1 3.932 0.030 . 2 . . . . 41 GLY HA2 . 11084 1 436 . 1 1 41 41 GLY HA3 H 1 4.113 0.030 . 2 . . . . 41 GLY HA3 . 11084 1 437 . 1 1 41 41 GLY C C 13 173.321 0.300 . 1 . . . . 41 GLY C . 11084 1 438 . 1 1 41 41 GLY CA C 13 43.640 0.300 . 1 . . . . 41 GLY CA . 11084 1 439 . 1 1 41 41 GLY N N 15 104.267 0.300 . 1 . . . . 41 GLY N . 11084 1 440 . 1 1 42 42 LEU H H 1 6.992 0.030 . 1 . . . . 42 LEU H . 11084 1 441 . 1 1 42 42 LEU HA H 1 4.498 0.030 . 1 . . . . 42 LEU HA . 11084 1 442 . 1 1 42 42 LEU HB2 H 1 1.382 0.030 . 2 . . . . 42 LEU HB2 . 11084 1 443 . 1 1 42 42 LEU HB3 H 1 1.140 0.030 . 2 . . . . 42 LEU HB3 . 11084 1 444 . 1 1 42 42 LEU HD11 H 1 -0.205 0.030 . 1 . . . . 42 LEU HD1 . 11084 1 445 . 1 1 42 42 LEU HD12 H 1 -0.205 0.030 . 1 . . . . 42 LEU HD1 . 11084 1 446 . 1 1 42 42 LEU HD13 H 1 -0.205 0.030 . 1 . . . . 42 LEU HD1 . 11084 1 447 . 1 1 42 42 LEU HD21 H 1 0.389 0.030 . 1 . . . . 42 LEU HD2 . 11084 1 448 . 1 1 42 42 LEU HD22 H 1 0.389 0.030 . 1 . . . . 42 LEU HD2 . 11084 1 449 . 1 1 42 42 LEU HD23 H 1 0.389 0.030 . 1 . . . . 42 LEU HD2 . 11084 1 450 . 1 1 42 42 LEU HG H 1 1.263 0.030 . 1 . . . . 42 LEU HG . 11084 1 451 . 1 1 42 42 LEU C C 13 177.001 0.300 . 1 . . . . 42 LEU C . 11084 1 452 . 1 1 42 42 LEU CA C 13 51.524 0.300 . 1 . . . . 42 LEU CA . 11084 1 453 . 1 1 42 42 LEU CB C 13 41.215 0.300 . 1 . . . . 42 LEU CB . 11084 1 454 . 1 1 42 42 LEU CD1 C 13 23.272 0.300 . 2 . . . . 42 LEU CD1 . 11084 1 455 . 1 1 42 42 LEU CD2 C 13 20.162 0.300 . 2 . . . . 42 LEU CD2 . 11084 1 456 . 1 1 42 42 LEU CG C 13 23.417 0.300 . 1 . . . . 42 LEU CG . 11084 1 457 . 1 1 42 42 LEU N N 15 116.151 0.300 . 1 . . . . 42 LEU N . 11084 1 458 . 1 1 43 43 LYS H H 1 7.507 0.030 . 1 . . . . 43 LYS H . 11084 1 459 . 1 1 43 43 LYS HA H 1 3.717 0.030 . 1 . . . . 43 LYS HA . 11084 1 460 . 1 1 43 43 LYS HB2 H 1 1.882 0.030 . 2 . . . . 43 LYS HB2 . 11084 1 461 . 1 1 43 43 LYS HB3 H 1 1.739 0.030 . 2 . . . . 43 LYS HB3 . 11084 1 462 . 1 1 43 43 LYS HD2 H 1 1.417 0.030 . 2 . . . . 43 LYS HD2 . 11084 1 463 . 1 1 43 43 LYS HD3 H 1 1.279 0.030 . 2 . . . . 43 LYS HD3 . 11084 1 464 . 1 1 43 43 LYS HE2 H 1 2.371 0.030 . 1 . . . . 43 LYS HE2 . 11084 1 465 . 1 1 43 43 LYS HE3 H 1 2.371 0.030 . 1 . . . . 43 LYS HE3 . 11084 1 466 . 1 1 43 43 LYS HG2 H 1 1.147 0.030 . 2 . . . . 43 LYS HG2 . 11084 1 467 . 1 1 43 43 LYS HG3 H 1 1.366 0.030 . 2 . . . . 43 LYS HG3 . 11084 1 468 . 1 1 43 43 LYS C C 13 171.524 0.300 . 1 . . . . 43 LYS C . 11084 1 469 . 1 1 43 43 LYS CA C 13 58.499 0.300 . 1 . . . . 43 LYS CA . 11084 1 470 . 1 1 43 43 LYS CB C 13 30.119 0.300 . 1 . . . . 43 LYS CB . 11084 1 471 . 1 1 43 43 LYS CD C 13 27.635 0.300 . 1 . . . . 43 LYS CD . 11084 1 472 . 1 1 43 43 LYS CE C 13 39.560 0.300 . 1 . . . . 43 LYS CE . 11084 1 473 . 1 1 43 43 LYS CG C 13 22.148 0.300 . 1 . . . . 43 LYS CG . 11084 1 474 . 1 1 43 43 LYS N N 15 122.108 0.300 . 1 . . . . 43 LYS N . 11084 1 475 . 1 1 44 44 ASP H H 1 8.260 0.030 . 1 . . . . 44 ASP H . 11084 1 476 . 1 1 44 44 ASP HA H 1 4.654 0.030 . 1 . . . . 44 ASP HA . 11084 1 477 . 1 1 44 44 ASP HB2 H 1 2.503 0.030 . 2 . . . . 44 ASP HB2 . 11084 1 478 . 1 1 44 44 ASP HB3 H 1 3.149 0.030 . 2 . . . . 44 ASP HB3 . 11084 1 479 . 1 1 44 44 ASP C C 13 175.867 0.300 . 1 . . . . 44 ASP C . 11084 1 480 . 1 1 44 44 ASP CA C 13 51.795 0.300 . 1 . . . . 44 ASP CA . 11084 1 481 . 1 1 44 44 ASP CB C 13 38.533 0.300 . 1 . . . . 44 ASP CB . 11084 1 482 . 1 1 44 44 ASP N N 15 109.989 0.300 . 1 . . . . 44 ASP N . 11084 1 483 . 1 1 45 45 GLY H H 1 7.794 0.030 . 1 . . . . 45 GLY H . 11084 1 484 . 1 1 45 45 GLY HA2 H 1 3.573 0.030 . 2 . . . . 45 GLY HA2 . 11084 1 485 . 1 1 45 45 GLY HA3 H 1 4.053 0.030 . 2 . . . . 45 GLY HA3 . 11084 1 486 . 1 1 45 45 GLY C C 13 173.364 0.300 . 1 . . . . 45 GLY C . 11084 1 487 . 1 1 45 45 GLY CA C 13 45.131 0.300 . 1 . . . . 45 GLY CA . 11084 1 488 . 1 1 45 45 GLY N N 15 103.794 0.300 . 1 . . . . 45 GLY N . 11084 1 489 . 1 1 46 46 THR H H 1 8.824 0.030 . 1 . . . . 46 THR H . 11084 1 490 . 1 1 46 46 THR HA H 1 3.569 0.030 . 1 . . . . 46 THR HA . 11084 1 491 . 1 1 46 46 THR HB H 1 3.791 0.030 . 1 . . . . 46 THR HB . 11084 1 492 . 1 1 46 46 THR HG21 H 1 1.075 0.030 . 1 . . . . 46 THR HG2 . 11084 1 493 . 1 1 46 46 THR HG22 H 1 1.075 0.030 . 1 . . . . 46 THR HG2 . 11084 1 494 . 1 1 46 46 THR HG23 H 1 1.075 0.030 . 1 . . . . 46 THR HG2 . 11084 1 495 . 1 1 46 46 THR C C 13 176.418 0.300 . 1 . . . . 46 THR C . 11084 1 496 . 1 1 46 46 THR CA C 13 64.366 0.300 . 1 . . . . 46 THR CA . 11084 1 497 . 1 1 46 46 THR CB C 13 65.996 0.300 . 1 . . . . 46 THR CB . 11084 1 498 . 1 1 46 46 THR CG2 C 13 19.724 0.300 . 1 . . . . 46 THR CG2 . 11084 1 499 . 1 1 46 46 THR N N 15 114.958 0.300 . 1 . . . . 46 THR N . 11084 1 500 . 1 1 47 47 ILE H H 1 7.978 0.030 . 1 . . . . 47 ILE H . 11084 1 501 . 1 1 47 47 ILE HA H 1 3.297 0.030 . 1 . . . . 47 ILE HA . 11084 1 502 . 1 1 47 47 ILE HB H 1 1.489 0.030 . 1 . . . . 47 ILE HB . 11084 1 503 . 1 1 47 47 ILE HD11 H 1 0.545 0.030 . 1 . . . . 47 ILE HD1 . 11084 1 504 . 1 1 47 47 ILE HD12 H 1 0.545 0.030 . 1 . . . . 47 ILE HD1 . 11084 1 505 . 1 1 47 47 ILE HD13 H 1 0.545 0.030 . 1 . . . . 47 ILE HD1 . 11084 1 506 . 1 1 47 47 ILE HG12 H 1 0.755 0.030 . 2 . . . . 47 ILE HG12 . 11084 1 507 . 1 1 47 47 ILE HG13 H 1 1.776 0.030 . 2 . . . . 47 ILE HG13 . 11084 1 508 . 1 1 47 47 ILE HG21 H 1 0.393 0.030 . 1 . . . . 47 ILE HG2 . 11084 1 509 . 1 1 47 47 ILE HG22 H 1 0.393 0.030 . 1 . . . . 47 ILE HG2 . 11084 1 510 . 1 1 47 47 ILE HG23 H 1 0.393 0.030 . 1 . . . . 47 ILE HG2 . 11084 1 511 . 1 1 47 47 ILE C C 13 175.912 0.300 . 1 . . . . 47 ILE C . 11084 1 512 . 1 1 47 47 ILE CA C 13 64.697 0.300 . 1 . . . . 47 ILE CA . 11084 1 513 . 1 1 47 47 ILE CB C 13 34.620 0.300 . 1 . . . . 47 ILE CB . 11084 1 514 . 1 1 47 47 ILE CD1 C 13 11.073 0.300 . 1 . . . . 47 ILE CD1 . 11084 1 515 . 1 1 47 47 ILE CG1 C 13 27.045 0.300 . 1 . . . . 47 ILE CG1 . 11084 1 516 . 1 1 47 47 ILE CG2 C 13 14.781 0.300 . 1 . . . . 47 ILE CG2 . 11084 1 517 . 1 1 47 47 ILE N N 15 125.145 0.300 . 1 . . . . 47 ILE N . 11084 1 518 . 1 1 48 48 LEU H H 1 8.772 0.030 . 1 . . . . 48 LEU H . 11084 1 519 . 1 1 48 48 LEU HA H 1 3.530 0.030 . 1 . . . . 48 LEU HA . 11084 1 520 . 1 1 48 48 LEU HB2 H 1 0.848 0.030 . 2 . . . . 48 LEU HB2 . 11084 1 521 . 1 1 48 48 LEU HB3 H 1 -0.335 0.030 . 2 . . . . 48 LEU HB3 . 11084 1 522 . 1 1 48 48 LEU HD11 H 1 0.421 0.030 . 1 . . . . 48 LEU HD1 . 11084 1 523 . 1 1 48 48 LEU HD12 H 1 0.421 0.030 . 1 . . . . 48 LEU HD1 . 11084 1 524 . 1 1 48 48 LEU HD13 H 1 0.421 0.030 . 1 . . . . 48 LEU HD1 . 11084 1 525 . 1 1 48 48 LEU HD21 H 1 0.413 0.030 . 1 . . . . 48 LEU HD2 . 11084 1 526 . 1 1 48 48 LEU HD22 H 1 0.413 0.030 . 1 . . . . 48 LEU HD2 . 11084 1 527 . 1 1 48 48 LEU HD23 H 1 0.413 0.030 . 1 . . . . 48 LEU HD2 . 11084 1 528 . 1 1 48 48 LEU HG H 1 1.546 0.030 . 1 . . . . 48 LEU HG . 11084 1 529 . 1 1 48 48 LEU C C 13 176.621 0.300 . 1 . . . . 48 LEU C . 11084 1 530 . 1 1 48 48 LEU CA C 13 55.458 0.300 . 1 . . . . 48 LEU CA . 11084 1 531 . 1 1 48 48 LEU CB C 13 35.992 0.300 . 1 . . . . 48 LEU CB . 11084 1 532 . 1 1 48 48 LEU CD1 C 13 23.128 0.300 . 2 . . . . 48 LEU CD1 . 11084 1 533 . 1 1 48 48 LEU CD2 C 13 19.203 0.300 . 2 . . . . 48 LEU CD2 . 11084 1 534 . 1 1 48 48 LEU CG C 13 23.662 0.300 . 1 . . . . 48 LEU CG . 11084 1 535 . 1 1 48 48 LEU N N 15 119.262 0.300 . 1 . . . . 48 LEU N . 11084 1 536 . 1 1 49 49 CYS H H 1 8.068 0.030 . 1 . . . . 49 CYS H . 11084 1 537 . 1 1 49 49 CYS HA H 1 3.975 0.030 . 1 . . . . 49 CYS HA . 11084 1 538 . 1 1 49 49 CYS HB2 H 1 2.813 0.030 . 2 . . . . 49 CYS HB2 . 11084 1 539 . 1 1 49 49 CYS HB3 H 1 2.240 0.030 . 2 . . . . 49 CYS HB3 . 11084 1 540 . 1 1 49 49 CYS C C 13 174.077 0.300 . 1 . . . . 49 CYS C . 11084 1 541 . 1 1 49 49 CYS CA C 13 63.904 0.300 . 1 . . . . 49 CYS CA . 11084 1 542 . 1 1 49 49 CYS CB C 13 26.128 0.300 . 1 . . . . 49 CYS CB . 11084 1 543 . 1 1 49 49 CYS N N 15 115.370 0.300 . 1 . . . . 49 CYS N . 11084 1 544 . 1 1 50 50 THR H H 1 7.657 0.030 . 1 . . . . 50 THR H . 11084 1 545 . 1 1 50 50 THR HA H 1 4.227 0.030 . 1 . . . . 50 THR HA . 11084 1 546 . 1 1 50 50 THR HB H 1 3.749 0.030 . 1 . . . . 50 THR HB . 11084 1 547 . 1 1 50 50 THR HG21 H 1 1.070 0.030 . 1 . . . . 50 THR HG2 . 11084 1 548 . 1 1 50 50 THR HG22 H 1 1.070 0.030 . 1 . . . . 50 THR HG2 . 11084 1 549 . 1 1 50 50 THR HG23 H 1 1.070 0.030 . 1 . . . . 50 THR HG2 . 11084 1 550 . 1 1 50 50 THR C C 13 174.308 0.300 . 1 . . . . 50 THR C . 11084 1 551 . 1 1 50 50 THR CA C 13 65.593 0.300 . 1 . . . . 50 THR CA . 11084 1 552 . 1 1 50 50 THR CB C 13 65.032 0.300 . 1 . . . . 50 THR CB . 11084 1 553 . 1 1 50 50 THR CG2 C 13 18.328 0.300 . 1 . . . . 50 THR CG2 . 11084 1 554 . 1 1 50 50 THR N N 15 116.749 0.300 . 1 . . . . 50 THR N . 11084 1 555 . 1 1 51 51 LEU H H 1 8.329 0.030 . 1 . . . . 51 LEU H . 11084 1 556 . 1 1 51 51 LEU HA H 1 3.364 0.030 . 1 . . . . 51 LEU HA . 11084 1 557 . 1 1 51 51 LEU HB2 H 1 2.269 0.030 . 2 . . . . 51 LEU HB2 . 11084 1 558 . 1 1 51 51 LEU HB3 H 1 0.992 0.030 . 2 . . . . 51 LEU HB3 . 11084 1 559 . 1 1 51 51 LEU HD11 H 1 0.116 0.030 . 1 . . . . 51 LEU HD1 . 11084 1 560 . 1 1 51 51 LEU HD12 H 1 0.116 0.030 . 1 . . . . 51 LEU HD1 . 11084 1 561 . 1 1 51 51 LEU HD13 H 1 0.116 0.030 . 1 . . . . 51 LEU HD1 . 11084 1 562 . 1 1 51 51 LEU HD21 H 1 0.659 0.030 . 1 . . . . 51 LEU HD2 . 11084 1 563 . 1 1 51 51 LEU HD22 H 1 0.659 0.030 . 1 . . . . 51 LEU HD2 . 11084 1 564 . 1 1 51 51 LEU HD23 H 1 0.659 0.030 . 1 . . . . 51 LEU HD2 . 11084 1 565 . 1 1 51 51 LEU HG H 1 1.196 0.030 . 1 . . . . 51 LEU HG . 11084 1 566 . 1 1 51 51 LEU C C 13 176.034 0.300 . 1 . . . . 51 LEU C . 11084 1 567 . 1 1 51 51 LEU CA C 13 56.254 0.300 . 1 . . . . 51 LEU CA . 11084 1 568 . 1 1 51 51 LEU CB C 13 39.606 0.300 . 1 . . . . 51 LEU CB . 11084 1 569 . 1 1 51 51 LEU CD1 C 13 22.895 0.300 . 2 . . . . 51 LEU CD1 . 11084 1 570 . 1 1 51 51 LEU CD2 C 13 24.008 0.300 . 2 . . . . 51 LEU CD2 . 11084 1 571 . 1 1 51 51 LEU CG C 13 24.422 0.300 . 1 . . . . 51 LEU CG . 11084 1 572 . 1 1 51 51 LEU N N 15 123.266 0.300 . 1 . . . . 51 LEU N . 11084 1 573 . 1 1 52 52 MET H H 1 8.126 0.030 . 1 . . . . 52 MET H . 11084 1 574 . 1 1 52 52 MET HA H 1 4.356 0.030 . 1 . . . . 52 MET HA . 11084 1 575 . 1 1 52 52 MET HB2 H 1 2.197 0.030 . 2 . . . . 52 MET HB2 . 11084 1 576 . 1 1 52 52 MET HB3 H 1 2.036 0.030 . 2 . . . . 52 MET HB3 . 11084 1 577 . 1 1 52 52 MET HE1 H 1 1.378 0.030 . 1 . . . . 52 MET HE . 11084 1 578 . 1 1 52 52 MET HE2 H 1 1.378 0.030 . 1 . . . . 52 MET HE . 11084 1 579 . 1 1 52 52 MET HE3 H 1 1.378 0.030 . 1 . . . . 52 MET HE . 11084 1 580 . 1 1 52 52 MET HG2 H 1 2.558 0.030 . 1 . . . . 52 MET HG2 . 11084 1 581 . 1 1 52 52 MET HG3 H 1 2.558 0.030 . 1 . . . . 52 MET HG3 . 11084 1 582 . 1 1 52 52 MET C C 13 175.999 0.300 . 1 . . . . 52 MET C . 11084 1 583 . 1 1 52 52 MET CA C 13 53.922 0.300 . 1 . . . . 52 MET CA . 11084 1 584 . 1 1 52 52 MET CB C 13 29.216 0.300 . 1 . . . . 52 MET CB . 11084 1 585 . 1 1 52 52 MET CE C 13 14.513 0.300 . 1 . . . . 52 MET CE . 11084 1 586 . 1 1 52 52 MET CG C 13 30.390 0.300 . 1 . . . . 52 MET CG . 11084 1 587 . 1 1 52 52 MET N N 15 118.078 0.300 . 1 . . . . 52 MET N . 11084 1 588 . 1 1 53 53 ASN H H 1 7.581 0.030 . 1 . . . . 53 ASN H . 11084 1 589 . 1 1 53 53 ASN HA H 1 4.840 0.030 . 1 . . . . 53 ASN HA . 11084 1 590 . 1 1 53 53 ASN HB2 H 1 2.770 0.030 . 2 . . . . 53 ASN HB2 . 11084 1 591 . 1 1 53 53 ASN HB3 H 1 2.684 0.030 . 2 . . . . 53 ASN HB3 . 11084 1 592 . 1 1 53 53 ASN HD21 H 1 7.369 0.030 . 2 . . . . 53 ASN HD21 . 11084 1 593 . 1 1 53 53 ASN HD22 H 1 7.066 0.030 . 2 . . . . 53 ASN HD22 . 11084 1 594 . 1 1 53 53 ASN C C 13 176.017 0.300 . 1 . . . . 53 ASN C . 11084 1 595 . 1 1 53 53 ASN CA C 13 52.085 0.300 . 1 . . . . 53 ASN CA . 11084 1 596 . 1 1 53 53 ASN CB C 13 35.874 0.300 . 1 . . . . 53 ASN CB . 11084 1 597 . 1 1 53 53 ASN N N 15 116.331 0.300 . 1 . . . . 53 ASN N . 11084 1 598 . 1 1 53 53 ASN ND2 N 15 109.238 0.300 . 1 . . . . 53 ASN ND2 . 11084 1 599 . 1 1 54 54 LYS H H 1 7.598 0.030 . 1 . . . . 54 LYS H . 11084 1 600 . 1 1 54 54 LYS HA H 1 4.140 0.030 . 1 . . . . 54 LYS HA . 11084 1 601 . 1 1 54 54 LYS HB2 H 1 1.699 0.030 . 2 . . . . 54 LYS HB2 . 11084 1 602 . 1 1 54 54 LYS HB3 H 1 2.000 0.030 . 2 . . . . 54 LYS HB3 . 11084 1 603 . 1 1 54 54 LYS HD2 H 1 1.545 0.030 . 1 . . . . 54 LYS HD2 . 11084 1 604 . 1 1 54 54 LYS HD3 H 1 1.545 0.030 . 1 . . . . 54 LYS HD3 . 11084 1 605 . 1 1 54 54 LYS HE2 H 1 2.813 0.030 . 2 . . . . 54 LYS HE2 . 11084 1 606 . 1 1 54 54 LYS HE3 H 1 2.919 0.030 . 2 . . . . 54 LYS HE3 . 11084 1 607 . 1 1 54 54 LYS HG2 H 1 1.178 0.030 . 2 . . . . 54 LYS HG2 . 11084 1 608 . 1 1 54 54 LYS HG3 H 1 1.508 0.030 . 2 . . . . 54 LYS HG3 . 11084 1 609 . 1 1 54 54 LYS C C 13 176.773 0.300 . 1 . . . . 54 LYS C . 11084 1 610 . 1 1 54 54 LYS CA C 13 54.476 0.300 . 1 . . . . 54 LYS CA . 11084 1 611 . 1 1 54 54 LYS CB C 13 28.877 0.300 . 1 . . . . 54 LYS CB . 11084 1 612 . 1 1 54 54 LYS CD C 13 25.694 0.300 . 1 . . . . 54 LYS CD . 11084 1 613 . 1 1 54 54 LYS CE C 13 39.730 0.300 . 1 . . . . 54 LYS CE . 11084 1 614 . 1 1 54 54 LYS CG C 13 21.869 0.300 . 1 . . . . 54 LYS CG . 11084 1 615 . 1 1 54 54 LYS N N 15 118.965 0.300 . 1 . . . . 54 LYS N . 11084 1 616 . 1 1 55 55 LEU H H 1 7.639 0.030 . 1 . . . . 55 LEU H . 11084 1 617 . 1 1 55 55 LEU HA H 1 4.079 0.030 . 1 . . . . 55 LEU HA . 11084 1 618 . 1 1 55 55 LEU HB2 H 1 1.195 0.030 . 2 . . . . 55 LEU HB2 . 11084 1 619 . 1 1 55 55 LEU HB3 H 1 1.630 0.030 . 2 . . . . 55 LEU HB3 . 11084 1 620 . 1 1 55 55 LEU HD11 H 1 0.731 0.030 . 1 . . . . 55 LEU HD1 . 11084 1 621 . 1 1 55 55 LEU HD12 H 1 0.731 0.030 . 1 . . . . 55 LEU HD1 . 11084 1 622 . 1 1 55 55 LEU HD13 H 1 0.731 0.030 . 1 . . . . 55 LEU HD1 . 11084 1 623 . 1 1 55 55 LEU HD21 H 1 0.887 0.030 . 1 . . . . 55 LEU HD2 . 11084 1 624 . 1 1 55 55 LEU HD22 H 1 0.887 0.030 . 1 . . . . 55 LEU HD2 . 11084 1 625 . 1 1 55 55 LEU HD23 H 1 0.887 0.030 . 1 . . . . 55 LEU HD2 . 11084 1 626 . 1 1 55 55 LEU HG H 1 1.747 0.030 . 1 . . . . 55 LEU HG . 11084 1 627 . 1 1 55 55 LEU C C 13 176.359 0.300 . 1 . . . . 55 LEU C . 11084 1 628 . 1 1 55 55 LEU CA C 13 54.739 0.300 . 1 . . . . 55 LEU CA . 11084 1 629 . 1 1 55 55 LEU CB C 13 39.240 0.300 . 1 . . . . 55 LEU CB . 11084 1 630 . 1 1 55 55 LEU CD1 C 13 22.859 0.300 . 2 . . . . 55 LEU CD1 . 11084 1 631 . 1 1 55 55 LEU CD2 C 13 20.517 0.300 . 2 . . . . 55 LEU CD2 . 11084 1 632 . 1 1 55 55 LEU CG C 13 24.149 0.300 . 1 . . . . 55 LEU CG . 11084 1 633 . 1 1 55 55 LEU N N 15 118.132 0.300 . 1 . . . . 55 LEU N . 11084 1 634 . 1 1 56 56 GLN H H 1 8.613 0.030 . 1 . . . . 56 GLN H . 11084 1 635 . 1 1 56 56 GLN HA H 1 4.614 0.030 . 1 . . . . 56 GLN HA . 11084 1 636 . 1 1 56 56 GLN HB2 H 1 1.824 0.030 . 2 . . . . 56 GLN HB2 . 11084 1 637 . 1 1 56 56 GLN HB3 H 1 1.876 0.030 . 2 . . . . 56 GLN HB3 . 11084 1 638 . 1 1 56 56 GLN HE21 H 1 7.382 0.030 . 2 . . . . 56 GLN HE21 . 11084 1 639 . 1 1 56 56 GLN HE22 H 1 6.736 0.030 . 2 . . . . 56 GLN HE22 . 11084 1 640 . 1 1 56 56 GLN HG2 H 1 2.189 0.030 . 2 . . . . 56 GLN HG2 . 11084 1 641 . 1 1 56 56 GLN HG3 H 1 2.128 0.030 . 2 . . . . 56 GLN HG3 . 11084 1 642 . 1 1 56 56 GLN C C 13 168.800 0.300 . 1 . . . . 56 GLN C . 11084 1 643 . 1 1 56 56 GLN CA C 13 50.878 0.300 . 1 . . . . 56 GLN CA . 11084 1 644 . 1 1 56 56 GLN CB C 13 27.670 0.300 . 1 . . . . 56 GLN CB . 11084 1 645 . 1 1 56 56 GLN CG C 13 32.107 0.300 . 1 . . . . 56 GLN CG . 11084 1 646 . 1 1 56 56 GLN N N 15 118.188 0.300 . 1 . . . . 56 GLN N . 11084 1 647 . 1 1 56 56 GLN NE2 N 15 111.058 0.300 . 1 . . . . 56 GLN NE2 . 11084 1 648 . 1 1 57 57 PRO HA H 1 4.692 0.030 . 1 . . . . 57 PRO HA . 11084 1 649 . 1 1 57 57 PRO HB2 H 1 1.788 0.030 . 2 . . . . 57 PRO HB2 . 11084 1 650 . 1 1 57 57 PRO HB3 H 1 2.249 0.030 . 2 . . . . 57 PRO HB3 . 11084 1 651 . 1 1 57 57 PRO HD2 H 1 3.371 0.030 . 2 . . . . 57 PRO HD2 . 11084 1 652 . 1 1 57 57 PRO HD3 H 1 3.602 0.030 . 2 . . . . 57 PRO HD3 . 11084 1 653 . 1 1 57 57 PRO HG2 H 1 2.052 0.030 . 1 . . . . 57 PRO HG2 . 11084 1 654 . 1 1 57 57 PRO HG3 H 1 2.052 0.030 . 1 . . . . 57 PRO HG3 . 11084 1 655 . 1 1 57 57 PRO C C 13 175.847 0.300 . 1 . . . . 57 PRO C . 11084 1 656 . 1 1 57 57 PRO CA C 13 62.401 0.300 . 1 . . . . 57 PRO CA . 11084 1 657 . 1 1 57 57 PRO CB C 13 29.460 0.300 . 1 . . . . 57 PRO CB . 11084 1 658 . 1 1 57 57 PRO CD C 13 48.094 0.300 . 1 . . . . 57 PRO CD . 11084 1 659 . 1 1 57 57 PRO CG C 13 24.904 0.300 . 1 . . . . 57 PRO CG . 11084 1 660 . 1 1 58 58 GLY H H 1 8.336 0.030 . 1 . . . . 58 GLY H . 11084 1 661 . 1 1 58 58 GLY HA2 H 1 4.050 0.030 . 2 . . . . 58 GLY HA2 . 11084 1 662 . 1 1 58 58 GLY HA3 H 1 3.529 0.030 . 2 . . . . 58 GLY HA3 . 11084 1 663 . 1 1 58 58 GLY C C 13 172.385 0.300 . 1 . . . . 58 GLY C . 11084 1 664 . 1 1 58 58 GLY CA C 13 42.767 0.300 . 1 . . . . 58 GLY CA . 11084 1 665 . 1 1 58 58 GLY N N 15 112.375 0.300 . 1 . . . . 58 GLY N . 11084 1 666 . 1 1 59 59 SER H H 1 8.199 0.030 . 1 . . . . 59 SER H . 11084 1 667 . 1 1 59 59 SER HA H 1 4.003 0.030 . 1 . . . . 59 SER HA . 11084 1 668 . 1 1 59 59 SER HB2 H 1 3.801 0.030 . 2 . . . . 59 SER HB2 . 11084 1 669 . 1 1 59 59 SER HB3 H 1 3.693 0.030 . 2 . . . . 59 SER HB3 . 11084 1 670 . 1 1 59 59 SER C C 13 173.614 0.300 . 1 . . . . 59 SER C . 11084 1 671 . 1 1 59 59 SER CA C 13 59.627 0.300 . 1 . . . . 59 SER CA . 11084 1 672 . 1 1 59 59 SER CB C 13 61.222 0.300 . 1 . . . . 59 SER CB . 11084 1 673 . 1 1 59 59 SER N N 15 116.946 0.300 . 1 . . . . 59 SER N . 11084 1 674 . 1 1 60 60 VAL H H 1 9.013 0.030 . 1 . . . . 60 VAL H . 11084 1 675 . 1 1 60 60 VAL HA H 1 4.388 0.030 . 1 . . . . 60 VAL HA . 11084 1 676 . 1 1 60 60 VAL HB H 1 1.945 0.030 . 1 . . . . 60 VAL HB . 11084 1 677 . 1 1 60 60 VAL HG11 H 1 0.837 0.030 . 1 . . . . 60 VAL HG1 . 11084 1 678 . 1 1 60 60 VAL HG12 H 1 0.837 0.030 . 1 . . . . 60 VAL HG1 . 11084 1 679 . 1 1 60 60 VAL HG13 H 1 0.837 0.030 . 1 . . . . 60 VAL HG1 . 11084 1 680 . 1 1 60 60 VAL HG21 H 1 0.716 0.030 . 1 . . . . 60 VAL HG2 . 11084 1 681 . 1 1 60 60 VAL HG22 H 1 0.716 0.030 . 1 . . . . 60 VAL HG2 . 11084 1 682 . 1 1 60 60 VAL HG23 H 1 0.716 0.030 . 1 . . . . 60 VAL HG2 . 11084 1 683 . 1 1 60 60 VAL C C 13 172.357 0.300 . 1 . . . . 60 VAL C . 11084 1 684 . 1 1 60 60 VAL CA C 13 57.665 0.300 . 1 . . . . 60 VAL CA . 11084 1 685 . 1 1 60 60 VAL CB C 13 29.867 0.300 . 1 . . . . 60 VAL CB . 11084 1 686 . 1 1 60 60 VAL CG1 C 13 20.481 0.300 . 2 . . . . 60 VAL CG1 . 11084 1 687 . 1 1 60 60 VAL CG2 C 13 17.985 0.300 . 2 . . . . 60 VAL CG2 . 11084 1 688 . 1 1 60 60 VAL N N 15 121.143 0.300 . 1 . . . . 60 VAL N . 11084 1 689 . 1 1 61 61 PRO HA H 1 4.125 0.030 . 1 . . . . 61 PRO HA . 11084 1 690 . 1 1 61 61 PRO HB2 H 1 1.865 0.030 . 2 . . . . 61 PRO HB2 . 11084 1 691 . 1 1 61 61 PRO HB3 H 1 2.228 0.030 . 2 . . . . 61 PRO HB3 . 11084 1 692 . 1 1 61 61 PRO HD2 H 1 3.436 0.030 . 2 . . . . 61 PRO HD2 . 11084 1 693 . 1 1 61 61 PRO HD3 H 1 3.723 0.030 . 2 . . . . 61 PRO HD3 . 11084 1 694 . 1 1 61 61 PRO HG2 H 1 1.894 0.030 . 2 . . . . 61 PRO HG2 . 11084 1 695 . 1 1 61 61 PRO C C 13 174.049 0.300 . 1 . . . . 61 PRO C . 11084 1 696 . 1 1 61 61 PRO CA C 13 62.517 0.300 . 1 . . . . 61 PRO CA . 11084 1 697 . 1 1 61 61 PRO CB C 13 30.116 0.300 . 1 . . . . 61 PRO CB . 11084 1 698 . 1 1 61 61 PRO CD C 13 48.636 0.300 . 1 . . . . 61 PRO CD . 11084 1 699 . 1 1 61 61 PRO CG C 13 24.612 0.300 . 1 . . . . 61 PRO CG . 11084 1 700 . 1 1 62 62 LYS H H 1 7.657 0.030 . 1 . . . . 62 LYS H . 11084 1 701 . 1 1 62 62 LYS HA H 1 4.421 0.030 . 1 . . . . 62 LYS HA . 11084 1 702 . 1 1 62 62 LYS HB2 H 1 1.613 0.030 . 2 . . . . 62 LYS HB2 . 11084 1 703 . 1 1 62 62 LYS HB3 H 1 1.488 0.030 . 2 . . . . 62 LYS HB3 . 11084 1 704 . 1 1 62 62 LYS HD2 H 1 1.537 0.030 . 1 . . . . 62 LYS HD2 . 11084 1 705 . 1 1 62 62 LYS HD3 H 1 1.537 0.030 . 1 . . . . 62 LYS HD3 . 11084 1 706 . 1 1 62 62 LYS HE2 H 1 2.832 0.030 . 1 . . . . 62 LYS HE2 . 11084 1 707 . 1 1 62 62 LYS HE3 H 1 2.832 0.030 . 1 . . . . 62 LYS HE3 . 11084 1 708 . 1 1 62 62 LYS HG2 H 1 1.190 0.030 . 2 . . . . 62 LYS HG2 . 11084 1 709 . 1 1 62 62 LYS HG3 H 1 0.984 0.030 . 2 . . . . 62 LYS HG3 . 11084 1 710 . 1 1 62 62 LYS C C 13 172.106 0.300 . 1 . . . . 62 LYS C . 11084 1 711 . 1 1 62 62 LYS CA C 13 52.776 0.300 . 1 . . . . 62 LYS CA . 11084 1 712 . 1 1 62 62 LYS CB C 13 32.096 0.300 . 1 . . . . 62 LYS CB . 11084 1 713 . 1 1 62 62 LYS CD C 13 26.811 0.300 . 1 . . . . 62 LYS CD . 11084 1 714 . 1 1 62 62 LYS CE C 13 39.641 0.300 . 1 . . . . 62 LYS CE . 11084 1 715 . 1 1 62 62 LYS CG C 13 22.057 0.300 . 1 . . . . 62 LYS CG . 11084 1 716 . 1 1 62 62 LYS N N 15 116.767 0.300 . 1 . . . . 62 LYS N . 11084 1 717 . 1 1 63 63 ILE H H 1 8.572 0.030 . 1 . . . . 63 ILE H . 11084 1 718 . 1 1 63 63 ILE HA H 1 3.640 0.030 . 1 . . . . 63 ILE HA . 11084 1 719 . 1 1 63 63 ILE HB H 1 1.470 0.030 . 1 . . . . 63 ILE HB . 11084 1 720 . 1 1 63 63 ILE HD11 H 1 0.609 0.030 . 1 . . . . 63 ILE HD1 . 11084 1 721 . 1 1 63 63 ILE HD12 H 1 0.609 0.030 . 1 . . . . 63 ILE HD1 . 11084 1 722 . 1 1 63 63 ILE HD13 H 1 0.609 0.030 . 1 . . . . 63 ILE HD1 . 11084 1 723 . 1 1 63 63 ILE HG12 H 1 0.444 0.030 . 2 . . . . 63 ILE HG12 . 11084 1 724 . 1 1 63 63 ILE HG13 H 1 1.402 0.030 . 2 . . . . 63 ILE HG13 . 11084 1 725 . 1 1 63 63 ILE HG21 H 1 0.546 0.030 . 1 . . . . 63 ILE HG2 . 11084 1 726 . 1 1 63 63 ILE HG22 H 1 0.546 0.030 . 1 . . . . 63 ILE HG2 . 11084 1 727 . 1 1 63 63 ILE HG23 H 1 0.546 0.030 . 1 . . . . 63 ILE HG2 . 11084 1 728 . 1 1 63 63 ILE C C 13 173.401 0.300 . 1 . . . . 63 ILE C . 11084 1 729 . 1 1 63 63 ILE CA C 13 58.877 0.300 . 1 . . . . 63 ILE CA . 11084 1 730 . 1 1 63 63 ILE CB C 13 37.495 0.300 . 1 . . . . 63 ILE CB . 11084 1 731 . 1 1 63 63 ILE CD1 C 13 11.579 0.300 . 1 . . . . 63 ILE CD1 . 11084 1 732 . 1 1 63 63 ILE CG1 C 13 25.562 0.300 . 1 . . . . 63 ILE CG1 . 11084 1 733 . 1 1 63 63 ILE CG2 C 13 15.106 0.300 . 1 . . . . 63 ILE CG2 . 11084 1 734 . 1 1 63 63 ILE N N 15 125.789 0.300 . 1 . . . . 63 ILE N . 11084 1 735 . 1 1 64 64 ASN H H 1 9.385 0.030 . 1 . . . . 64 ASN H . 11084 1 736 . 1 1 64 64 ASN HA H 1 4.415 0.030 . 1 . . . . 64 ASN HA . 11084 1 737 . 1 1 64 64 ASN HB2 H 1 2.439 0.030 . 2 . . . . 64 ASN HB2 . 11084 1 738 . 1 1 64 64 ASN HB3 H 1 2.198 0.030 . 2 . . . . 64 ASN HB3 . 11084 1 739 . 1 1 64 64 ASN HD21 H 1 7.330 0.030 . 2 . . . . 64 ASN HD21 . 11084 1 740 . 1 1 64 64 ASN HD22 H 1 8.018 0.030 . 2 . . . . 64 ASN HD22 . 11084 1 741 . 1 1 64 64 ASN C C 13 173.918 0.300 . 1 . . . . 64 ASN C . 11084 1 742 . 1 1 64 64 ASN CA C 13 51.327 0.300 . 1 . . . . 64 ASN CA . 11084 1 743 . 1 1 64 64 ASN CB C 13 37.342 0.300 . 1 . . . . 64 ASN CB . 11084 1 744 . 1 1 64 64 ASN N N 15 125.765 0.300 . 1 . . . . 64 ASN N . 11084 1 745 . 1 1 64 64 ASN ND2 N 15 117.215 0.300 . 1 . . . . 64 ASN ND2 . 11084 1 746 . 1 1 65 65 ARG HA H 1 4.419 0.030 . 1 . . . . 65 ARG HA . 11084 1 747 . 1 1 65 65 ARG HB2 H 1 1.570 0.030 . 2 . . . . 65 ARG HB2 . 11084 1 748 . 1 1 65 65 ARG HB3 H 1 1.764 0.030 . 2 . . . . 65 ARG HB3 . 11084 1 749 . 1 1 65 65 ARG HD2 H 1 3.007 0.030 . 2 . . . . 65 ARG HD2 . 11084 1 750 . 1 1 65 65 ARG HG2 H 1 1.478 0.030 . 2 . . . . 65 ARG HG2 . 11084 1 751 . 1 1 65 65 ARG HG3 H 1 1.387 0.030 . 2 . . . . 65 ARG HG3 . 11084 1 752 . 1 1 65 65 ARG C C 13 173.091 0.300 . 1 . . . . 65 ARG C . 11084 1 753 . 1 1 65 65 ARG CA C 13 52.636 0.300 . 1 . . . . 65 ARG CA . 11084 1 754 . 1 1 65 65 ARG CB C 13 26.882 0.300 . 1 . . . . 65 ARG CB . 11084 1 755 . 1 1 65 65 ARG CD C 13 40.635 0.300 . 1 . . . . 65 ARG CD . 11084 1 756 . 1 1 65 65 ARG CG C 13 25.109 0.300 . 1 . . . . 65 ARG CG . 11084 1 757 . 1 1 66 66 SER H H 1 7.637 0.030 . 1 . . . . 66 SER H . 11084 1 758 . 1 1 66 66 SER HA H 1 4.577 0.030 . 1 . . . . 66 SER HA . 11084 1 759 . 1 1 66 66 SER HB2 H 1 3.433 0.030 . 2 . . . . 66 SER HB2 . 11084 1 760 . 1 1 66 66 SER HB3 H 1 3.711 0.030 . 2 . . . . 66 SER HB3 . 11084 1 761 . 1 1 66 66 SER C C 13 172.463 0.300 . 1 . . . . 66 SER C . 11084 1 762 . 1 1 66 66 SER CA C 13 54.571 0.300 . 1 . . . . 66 SER CA . 11084 1 763 . 1 1 66 66 SER CB C 13 61.925 0.300 . 1 . . . . 66 SER CB . 11084 1 764 . 1 1 66 66 SER N N 15 115.618 0.300 . 1 . . . . 66 SER N . 11084 1 765 . 1 1 67 67 MET H H 1 8.570 0.030 . 1 . . . . 67 MET H . 11084 1 766 . 1 1 67 67 MET HA H 1 4.466 0.030 . 1 . . . . 67 MET HA . 11084 1 767 . 1 1 67 67 MET HB2 H 1 2.470 0.030 . 2 . . . . 67 MET HB2 . 11084 1 768 . 1 1 67 67 MET HB3 H 1 2.629 0.030 . 2 . . . . 67 MET HB3 . 11084 1 769 . 1 1 67 67 MET HE1 H 1 2.016 0.030 . 1 . . . . 67 MET HE . 11084 1 770 . 1 1 67 67 MET HE2 H 1 2.016 0.030 . 1 . . . . 67 MET HE . 11084 1 771 . 1 1 67 67 MET HE3 H 1 2.016 0.030 . 1 . . . . 67 MET HE . 11084 1 772 . 1 1 67 67 MET HG2 H 1 2.185 0.030 . 2 . . . . 67 MET HG2 . 11084 1 773 . 1 1 67 67 MET HG3 H 1 1.898 0.030 . 2 . . . . 67 MET HG3 . 11084 1 774 . 1 1 67 67 MET C C 13 175.016 0.300 . 1 . . . . 67 MET C . 11084 1 775 . 1 1 67 67 MET CA C 13 52.695 0.300 . 1 . . . . 67 MET CA . 11084 1 776 . 1 1 67 67 MET CB C 13 29.979 0.300 . 1 . . . . 67 MET CB . 11084 1 777 . 1 1 67 67 MET CE C 13 14.668 0.300 . 1 . . . . 67 MET CE . 11084 1 778 . 1 1 67 67 MET CG C 13 29.941 0.300 . 1 . . . . 67 MET CG . 11084 1 779 . 1 1 67 67 MET N N 15 119.888 0.300 . 1 . . . . 67 MET N . 11084 1 780 . 1 1 68 68 GLN H H 1 8.570 0.030 . 1 . . . . 68 GLN H . 11084 1 781 . 1 1 68 68 GLN HA H 1 4.171 0.030 . 1 . . . . 68 GLN HA . 11084 1 782 . 1 1 68 68 GLN HB2 H 1 1.470 0.030 . 2 . . . . 68 GLN HB2 . 11084 1 783 . 1 1 68 68 GLN HB3 H 1 1.312 0.030 . 2 . . . . 68 GLN HB3 . 11084 1 784 . 1 1 68 68 GLN HE21 H 1 7.401 0.030 . 2 . . . . 68 GLN HE21 . 11084 1 785 . 1 1 68 68 GLN HE22 H 1 6.869 0.030 . 2 . . . . 68 GLN HE22 . 11084 1 786 . 1 1 68 68 GLN HG2 H 1 2.242 0.030 . 1 . . . . 68 GLN HG2 . 11084 1 787 . 1 1 68 68 GLN HG3 H 1 2.242 0.030 . 1 . . . . 68 GLN HG3 . 11084 1 788 . 1 1 68 68 GLN C C 13 176.211 0.300 . 1 . . . . 68 GLN C . 11084 1 789 . 1 1 68 68 GLN CA C 13 53.766 0.300 . 1 . . . . 68 GLN CA . 11084 1 790 . 1 1 68 68 GLN CB C 13 25.797 0.300 . 1 . . . . 68 GLN CB . 11084 1 791 . 1 1 68 68 GLN CG C 13 31.400 0.300 . 1 . . . . 68 GLN CG . 11084 1 792 . 1 1 68 68 GLN N N 15 119.894 0.300 . 1 . . . . 68 GLN N . 11084 1 793 . 1 1 68 68 GLN NE2 N 15 111.935 0.300 . 1 . . . . 68 GLN NE2 . 11084 1 794 . 1 1 69 69 ASN H H 1 9.080 0.030 . 1 . . . . 69 ASN H . 11084 1 795 . 1 1 69 69 ASN HA H 1 4.245 0.030 . 1 . . . . 69 ASN HA . 11084 1 796 . 1 1 69 69 ASN HB2 H 1 2.912 0.030 . 2 . . . . 69 ASN HB2 . 11084 1 797 . 1 1 69 69 ASN HB3 H 1 2.780 0.030 . 2 . . . . 69 ASN HB3 . 11084 1 798 . 1 1 69 69 ASN HD21 H 1 7.680 0.030 . 2 . . . . 69 ASN HD21 . 11084 1 799 . 1 1 69 69 ASN HD22 H 1 7.002 0.030 . 2 . . . . 69 ASN HD22 . 11084 1 800 . 1 1 69 69 ASN C C 13 175.821 0.300 . 1 . . . . 69 ASN C . 11084 1 801 . 1 1 69 69 ASN CA C 13 54.597 0.300 . 1 . . . . 69 ASN CA . 11084 1 802 . 1 1 69 69 ASN CB C 13 35.038 0.300 . 1 . . . . 69 ASN CB . 11084 1 803 . 1 1 69 69 ASN N N 15 124.227 0.300 . 1 . . . . 69 ASN N . 11084 1 804 . 1 1 69 69 ASN ND2 N 15 111.180 0.300 . 1 . . . . 69 ASN ND2 . 11084 1 805 . 1 1 70 70 TRP H H 1 8.224 0.030 . 1 . . . . 70 TRP H . 11084 1 806 . 1 1 70 70 TRP HA H 1 4.198 0.030 . 1 . . . . 70 TRP HA . 11084 1 807 . 1 1 70 70 TRP HB2 H 1 3.223 0.030 . 2 . . . . 70 TRP HB2 . 11084 1 808 . 1 1 70 70 TRP HB3 H 1 3.096 0.030 . 2 . . . . 70 TRP HB3 . 11084 1 809 . 1 1 70 70 TRP HD1 H 1 6.913 0.030 . 1 . . . . 70 TRP HD1 . 11084 1 810 . 1 1 70 70 TRP HE1 H 1 9.702 0.030 . 1 . . . . 70 TRP HE1 . 11084 1 811 . 1 1 70 70 TRP HE3 H 1 7.295 0.030 . 1 . . . . 70 TRP HE3 . 11084 1 812 . 1 1 70 70 TRP HH2 H 1 7.139 0.030 . 1 . . . . 70 TRP HH2 . 11084 1 813 . 1 1 70 70 TRP HZ2 H 1 7.320 0.030 . 1 . . . . 70 TRP HZ2 . 11084 1 814 . 1 1 70 70 TRP HZ3 H 1 7.066 0.030 . 1 . . . . 70 TRP HZ3 . 11084 1 815 . 1 1 70 70 TRP C C 13 176.749 0.300 . 1 . . . . 70 TRP C . 11084 1 816 . 1 1 70 70 TRP CA C 13 57.883 0.300 . 1 . . . . 70 TRP CA . 11084 1 817 . 1 1 70 70 TRP CB C 13 24.831 0.300 . 1 . . . . 70 TRP CB . 11084 1 818 . 1 1 70 70 TRP CD1 C 13 125.068 0.300 . 1 . . . . 70 TRP CD1 . 11084 1 819 . 1 1 70 70 TRP CE3 C 13 117.737 0.300 . 1 . . . . 70 TRP CE3 . 11084 1 820 . 1 1 70 70 TRP CH2 C 13 122.649 0.300 . 1 . . . . 70 TRP CH2 . 11084 1 821 . 1 1 70 70 TRP CZ2 C 13 112.568 0.300 . 1 . . . . 70 TRP CZ2 . 11084 1 822 . 1 1 70 70 TRP CZ3 C 13 120.322 0.300 . 1 . . . . 70 TRP CZ3 . 11084 1 823 . 1 1 70 70 TRP N N 15 115.992 0.300 . 1 . . . . 70 TRP N . 11084 1 824 . 1 1 70 70 TRP NE1 N 15 129.455 0.300 . 1 . . . . 70 TRP NE1 . 11084 1 825 . 1 1 71 71 HIS H H 1 6.318 0.030 . 1 . . . . 71 HIS H . 11084 1 826 . 1 1 71 71 HIS HA H 1 4.054 0.030 . 1 . . . . 71 HIS HA . 11084 1 827 . 1 1 71 71 HIS HB2 H 1 2.975 0.030 . 2 . . . . 71 HIS HB2 . 11084 1 828 . 1 1 71 71 HIS HB3 H 1 2.686 0.030 . 2 . . . . 71 HIS HB3 . 11084 1 829 . 1 1 71 71 HIS HD2 H 1 6.237 0.030 . 1 . . . . 71 HIS HD2 . 11084 1 830 . 1 1 71 71 HIS HE1 H 1 7.598 0.030 . 1 . . . . 71 HIS HE1 . 11084 1 831 . 1 1 71 71 HIS C C 13 176.484 0.300 . 1 . . . . 71 HIS C . 11084 1 832 . 1 1 71 71 HIS CA C 13 55.895 0.300 . 1 . . . . 71 HIS CA . 11084 1 833 . 1 1 71 71 HIS CB C 13 29.766 0.300 . 1 . . . . 71 HIS CB . 11084 1 834 . 1 1 71 71 HIS CD2 C 13 113.844 0.300 . 1 . . . . 71 HIS CD2 . 11084 1 835 . 1 1 71 71 HIS CE1 C 13 136.022 0.300 . 1 . . . . 71 HIS CE1 . 11084 1 836 . 1 1 71 71 HIS N N 15 119.864 0.300 . 1 . . . . 71 HIS N . 11084 1 837 . 1 1 72 72 GLN H H 1 7.369 0.030 . 1 . . . . 72 GLN H . 11084 1 838 . 1 1 72 72 GLN HA H 1 4.112 0.030 . 1 . . . . 72 GLN HA . 11084 1 839 . 1 1 72 72 GLN HB2 H 1 2.209 0.030 . 2 . . . . 72 GLN HB2 . 11084 1 840 . 1 1 72 72 GLN HB3 H 1 2.438 0.030 . 2 . . . . 72 GLN HB3 . 11084 1 841 . 1 1 72 72 GLN HE21 H 1 7.039 0.030 . 2 . . . . 72 GLN HE21 . 11084 1 842 . 1 1 72 72 GLN HE22 H 1 6.606 0.030 . 2 . . . . 72 GLN HE22 . 11084 1 843 . 1 1 72 72 GLN HG2 H 1 2.624 0.030 . 2 . . . . 72 GLN HG2 . 11084 1 844 . 1 1 72 72 GLN HG3 H 1 2.508 0.030 . 2 . . . . 72 GLN HG3 . 11084 1 845 . 1 1 72 72 GLN C C 13 176.388 0.300 . 1 . . . . 72 GLN C . 11084 1 846 . 1 1 72 72 GLN CA C 13 57.086 0.300 . 1 . . . . 72 GLN CA . 11084 1 847 . 1 1 72 72 GLN CB C 13 26.806 0.300 . 1 . . . . 72 GLN CB . 11084 1 848 . 1 1 72 72 GLN CG C 13 32.019 0.300 . 1 . . . . 72 GLN CG . 11084 1 849 . 1 1 72 72 GLN N N 15 121.745 0.300 . 1 . . . . 72 GLN N . 11084 1 850 . 1 1 72 72 GLN NE2 N 15 107.378 0.300 . 1 . . . . 72 GLN NE2 . 11084 1 851 . 1 1 73 73 LEU H H 1 8.122 0.030 . 1 . . . . 73 LEU H . 11084 1 852 . 1 1 73 73 LEU HA H 1 3.602 0.030 . 1 . . . . 73 LEU HA . 11084 1 853 . 1 1 73 73 LEU HB2 H 1 1.170 0.030 . 2 . . . . 73 LEU HB2 . 11084 1 854 . 1 1 73 73 LEU HB3 H 1 1.440 0.030 . 2 . . . . 73 LEU HB3 . 11084 1 855 . 1 1 73 73 LEU HD11 H 1 0.313 0.030 . 1 . . . . 73 LEU HD1 . 11084 1 856 . 1 1 73 73 LEU HD12 H 1 0.313 0.030 . 1 . . . . 73 LEU HD1 . 11084 1 857 . 1 1 73 73 LEU HD13 H 1 0.313 0.030 . 1 . . . . 73 LEU HD1 . 11084 1 858 . 1 1 73 73 LEU HD21 H 1 0.477 0.030 . 1 . . . . 73 LEU HD2 . 11084 1 859 . 1 1 73 73 LEU HD22 H 1 0.477 0.030 . 1 . . . . 73 LEU HD2 . 11084 1 860 . 1 1 73 73 LEU HD23 H 1 0.477 0.030 . 1 . . . . 73 LEU HD2 . 11084 1 861 . 1 1 73 73 LEU HG H 1 0.478 0.030 . 1 . . . . 73 LEU HG . 11084 1 862 . 1 1 73 73 LEU C C 13 177.810 0.300 . 1 . . . . 73 LEU C . 11084 1 863 . 1 1 73 73 LEU CA C 13 55.768 0.300 . 1 . . . . 73 LEU CA . 11084 1 864 . 1 1 73 73 LEU CB C 13 39.301 0.300 . 1 . . . . 73 LEU CB . 11084 1 865 . 1 1 73 73 LEU CD1 C 13 21.039 0.300 . 2 . . . . 73 LEU CD1 . 11084 1 866 . 1 1 73 73 LEU CD2 C 13 22.624 0.300 . 2 . . . . 73 LEU CD2 . 11084 1 867 . 1 1 73 73 LEU CG C 13 24.868 0.300 . 1 . . . . 73 LEU CG . 11084 1 868 . 1 1 73 73 LEU N N 15 118.830 0.300 . 1 . . . . 73 LEU N . 11084 1 869 . 1 1 74 74 GLU H H 1 7.716 0.030 . 1 . . . . 74 GLU H . 11084 1 870 . 1 1 74 74 GLU HA H 1 3.972 0.030 . 1 . . . . 74 GLU HA . 11084 1 871 . 1 1 74 74 GLU HB2 H 1 1.939 0.030 . 2 . . . . 74 GLU HB2 . 11084 1 872 . 1 1 74 74 GLU HB3 H 1 1.883 0.030 . 2 . . . . 74 GLU HB3 . 11084 1 873 . 1 1 74 74 GLU HG2 H 1 2.191 0.030 . 2 . . . . 74 GLU HG2 . 11084 1 874 . 1 1 74 74 GLU HG3 H 1 2.084 0.030 . 2 . . . . 74 GLU HG3 . 11084 1 875 . 1 1 74 74 GLU C C 13 176.208 0.300 . 1 . . . . 74 GLU C . 11084 1 876 . 1 1 74 74 GLU CA C 13 57.305 0.300 . 1 . . . . 74 GLU CA . 11084 1 877 . 1 1 74 74 GLU CB C 13 27.331 0.300 . 1 . . . . 74 GLU CB . 11084 1 878 . 1 1 74 74 GLU CG C 13 34.500 0.300 . 1 . . . . 74 GLU CG . 11084 1 879 . 1 1 74 74 GLU N N 15 120.458 0.300 . 1 . . . . 74 GLU N . 11084 1 880 . 1 1 75 75 ASN H H 1 7.476 0.030 . 1 . . . . 75 ASN H . 11084 1 881 . 1 1 75 75 ASN HA H 1 4.543 0.030 . 1 . . . . 75 ASN HA . 11084 1 882 . 1 1 75 75 ASN HB2 H 1 2.749 0.030 . 2 . . . . 75 ASN HB2 . 11084 1 883 . 1 1 75 75 ASN HB3 H 1 3.795 0.030 . 2 . . . . 75 ASN HB3 . 11084 1 884 . 1 1 75 75 ASN HD21 H 1 8.292 0.030 . 2 . . . . 75 ASN HD21 . 11084 1 885 . 1 1 75 75 ASN HD22 H 1 8.138 0.030 . 2 . . . . 75 ASN HD22 . 11084 1 886 . 1 1 75 75 ASN C C 13 175.970 0.300 . 1 . . . . 75 ASN C . 11084 1 887 . 1 1 75 75 ASN CA C 13 53.353 0.300 . 1 . . . . 75 ASN CA . 11084 1 888 . 1 1 75 75 ASN CB C 13 35.773 0.300 . 1 . . . . 75 ASN CB . 11084 1 889 . 1 1 75 75 ASN N N 15 116.811 0.300 . 1 . . . . 75 ASN N . 11084 1 890 . 1 1 75 75 ASN ND2 N 15 110.790 0.300 . 1 . . . . 75 ASN ND2 . 11084 1 891 . 1 1 76 76 LEU H H 1 7.914 0.030 . 1 . . . . 76 LEU H . 11084 1 892 . 1 1 76 76 LEU HA H 1 4.148 0.030 . 1 . . . . 76 LEU HA . 11084 1 893 . 1 1 76 76 LEU HB2 H 1 1.292 0.030 . 2 . . . . 76 LEU HB2 . 11084 1 894 . 1 1 76 76 LEU HB3 H 1 2.162 0.030 . 2 . . . . 76 LEU HB3 . 11084 1 895 . 1 1 76 76 LEU HD11 H 1 1.327 0.030 . 1 . . . . 76 LEU HD1 . 11084 1 896 . 1 1 76 76 LEU HD12 H 1 1.327 0.030 . 1 . . . . 76 LEU HD1 . 11084 1 897 . 1 1 76 76 LEU HD13 H 1 1.327 0.030 . 1 . . . . 76 LEU HD1 . 11084 1 898 . 1 1 76 76 LEU HD21 H 1 0.976 0.030 . 1 . . . . 76 LEU HD2 . 11084 1 899 . 1 1 76 76 LEU HD22 H 1 0.976 0.030 . 1 . . . . 76 LEU HD2 . 11084 1 900 . 1 1 76 76 LEU HD23 H 1 0.976 0.030 . 1 . . . . 76 LEU HD2 . 11084 1 901 . 1 1 76 76 LEU HG H 1 1.997 0.030 . 1 . . . . 76 LEU HG . 11084 1 902 . 1 1 76 76 LEU C C 13 176.580 0.300 . 1 . . . . 76 LEU C . 11084 1 903 . 1 1 76 76 LEU CA C 13 55.921 0.300 . 1 . . . . 76 LEU CA . 11084 1 904 . 1 1 76 76 LEU CB C 13 39.795 0.300 . 1 . . . . 76 LEU CB . 11084 1 905 . 1 1 76 76 LEU CD1 C 13 24.748 0.300 . 2 . . . . 76 LEU CD1 . 11084 1 906 . 1 1 76 76 LEU CD2 C 13 21.317 0.300 . 2 . . . . 76 LEU CD2 . 11084 1 907 . 1 1 76 76 LEU CG C 13 24.725 0.300 . 1 . . . . 76 LEU CG . 11084 1 908 . 1 1 76 76 LEU N N 15 117.797 0.300 . 1 . . . . 76 LEU N . 11084 1 909 . 1 1 77 77 SER H H 1 8.799 0.030 . 1 . . . . 77 SER H . 11084 1 910 . 1 1 77 77 SER HA H 1 4.114 0.030 . 1 . . . . 77 SER HA . 11084 1 911 . 1 1 77 77 SER HB2 H 1 3.959 0.030 . 2 . . . . 77 SER HB2 . 11084 1 912 . 1 1 77 77 SER HB3 H 1 3.910 0.030 . 2 . . . . 77 SER HB3 . 11084 1 913 . 1 1 77 77 SER C C 13 175.592 0.300 . 1 . . . . 77 SER C . 11084 1 914 . 1 1 77 77 SER CA C 13 59.798 0.300 . 1 . . . . 77 SER CA . 11084 1 915 . 1 1 77 77 SER CB C 13 60.303 0.300 . 1 . . . . 77 SER CB . 11084 1 916 . 1 1 77 77 SER N N 15 114.953 0.300 . 1 . . . . 77 SER N . 11084 1 917 . 1 1 78 78 ASN H H 1 8.664 0.030 . 1 . . . . 78 ASN H . 11084 1 918 . 1 1 78 78 ASN HA H 1 4.544 0.030 . 1 . . . . 78 ASN HA . 11084 1 919 . 1 1 78 78 ASN HB2 H 1 2.767 0.030 . 2 . . . . 78 ASN HB2 . 11084 1 920 . 1 1 78 78 ASN HB3 H 1 3.036 0.030 . 2 . . . . 78 ASN HB3 . 11084 1 921 . 1 1 78 78 ASN HD21 H 1 8.324 0.030 . 2 . . . . 78 ASN HD21 . 11084 1 922 . 1 1 78 78 ASN HD22 H 1 7.122 0.030 . 2 . . . . 78 ASN HD22 . 11084 1 923 . 1 1 78 78 ASN C C 13 176.667 0.300 . 1 . . . . 78 ASN C . 11084 1 924 . 1 1 78 78 ASN CA C 13 53.417 0.300 . 1 . . . . 78 ASN CA . 11084 1 925 . 1 1 78 78 ASN CB C 13 35.103 0.300 . 1 . . . . 78 ASN CB . 11084 1 926 . 1 1 78 78 ASN N N 15 119.998 0.300 . 1 . . . . 78 ASN N . 11084 1 927 . 1 1 78 78 ASN ND2 N 15 113.951 0.300 . 1 . . . . 78 ASN ND2 . 11084 1 928 . 1 1 79 79 PHE H H 1 8.633 0.030 . 1 . . . . 79 PHE H . 11084 1 929 . 1 1 79 79 PHE HA H 1 4.000 0.030 . 1 . . . . 79 PHE HA . 11084 1 930 . 1 1 79 79 PHE HB2 H 1 3.398 0.030 . 2 . . . . 79 PHE HB2 . 11084 1 931 . 1 1 79 79 PHE HB3 H 1 3.542 0.030 . 2 . . . . 79 PHE HB3 . 11084 1 932 . 1 1 79 79 PHE HD1 H 1 6.919 0.030 . 1 . . . . 79 PHE HD1 . 11084 1 933 . 1 1 79 79 PHE HD2 H 1 6.919 0.030 . 1 . . . . 79 PHE HD2 . 11084 1 934 . 1 1 79 79 PHE HE1 H 1 7.114 0.030 . 1 . . . . 79 PHE HE1 . 11084 1 935 . 1 1 79 79 PHE HE2 H 1 7.114 0.030 . 1 . . . . 79 PHE HE2 . 11084 1 936 . 1 1 79 79 PHE C C 13 174.039 0.300 . 1 . . . . 79 PHE C . 11084 1 937 . 1 1 79 79 PHE CA C 13 59.545 0.300 . 1 . . . . 79 PHE CA . 11084 1 938 . 1 1 79 79 PHE CB C 13 36.356 0.300 . 1 . . . . 79 PHE CB . 11084 1 939 . 1 1 79 79 PHE CD1 C 13 128.948 0.300 . 1 . . . . 79 PHE CD1 . 11084 1 940 . 1 1 79 79 PHE CD2 C 13 128.948 0.300 . 1 . . . . 79 PHE CD2 . 11084 1 941 . 1 1 79 79 PHE CE1 C 13 127.818 0.300 . 1 . . . . 79 PHE CE1 . 11084 1 942 . 1 1 79 79 PHE CE2 C 13 127.818 0.300 . 1 . . . . 79 PHE CE2 . 11084 1 943 . 1 1 79 79 PHE N N 15 124.943 0.300 . 1 . . . . 79 PHE N . 11084 1 944 . 1 1 80 80 ILE H H 1 8.331 0.030 . 1 . . . . 80 ILE H . 11084 1 945 . 1 1 80 80 ILE HA H 1 3.067 0.030 . 1 . . . . 80 ILE HA . 11084 1 946 . 1 1 80 80 ILE HB H 1 1.710 0.030 . 1 . . . . 80 ILE HB . 11084 1 947 . 1 1 80 80 ILE HD11 H 1 0.419 0.030 . 1 . . . . 80 ILE HD1 . 11084 1 948 . 1 1 80 80 ILE HD12 H 1 0.419 0.030 . 1 . . . . 80 ILE HD1 . 11084 1 949 . 1 1 80 80 ILE HD13 H 1 0.419 0.030 . 1 . . . . 80 ILE HD1 . 11084 1 950 . 1 1 80 80 ILE HG12 H 1 1.543 0.030 . 2 . . . . 80 ILE HG12 . 11084 1 951 . 1 1 80 80 ILE HG13 H 1 0.203 0.030 . 2 . . . . 80 ILE HG13 . 11084 1 952 . 1 1 80 80 ILE HG21 H 1 0.787 0.030 . 1 . . . . 80 ILE HG2 . 11084 1 953 . 1 1 80 80 ILE HG22 H 1 0.787 0.030 . 1 . . . . 80 ILE HG2 . 11084 1 954 . 1 1 80 80 ILE HG23 H 1 0.787 0.030 . 1 . . . . 80 ILE HG2 . 11084 1 955 . 1 1 80 80 ILE C C 13 176.125 0.300 . 1 . . . . 80 ILE C . 11084 1 956 . 1 1 80 80 ILE CA C 13 63.774 0.300 . 1 . . . . 80 ILE CA . 11084 1 957 . 1 1 80 80 ILE CB C 13 35.944 0.300 . 1 . . . . 80 ILE CB . 11084 1 958 . 1 1 80 80 ILE CD1 C 13 11.596 0.300 . 1 . . . . 80 ILE CD1 . 11084 1 959 . 1 1 80 80 ILE CG1 C 13 27.761 0.300 . 1 . . . . 80 ILE CG1 . 11084 1 960 . 1 1 80 80 ILE CG2 C 13 15.620 0.300 . 1 . . . . 80 ILE CG2 . 11084 1 961 . 1 1 80 80 ILE N N 15 120.789 0.300 . 1 . . . . 80 ILE N . 11084 1 962 . 1 1 81 81 LYS H H 1 8.030 0.030 . 1 . . . . 81 LYS H . 11084 1 963 . 1 1 81 81 LYS HA H 1 3.864 0.030 . 1 . . . . 81 LYS HA . 11084 1 964 . 1 1 81 81 LYS HB2 H 1 1.860 0.030 . 1 . . . . 81 LYS HB2 . 11084 1 965 . 1 1 81 81 LYS HB3 H 1 1.860 0.030 . 1 . . . . 81 LYS HB3 . 11084 1 966 . 1 1 81 81 LYS HD2 H 1 1.669 0.030 . 1 . . . . 81 LYS HD2 . 11084 1 967 . 1 1 81 81 LYS HD3 H 1 1.669 0.030 . 1 . . . . 81 LYS HD3 . 11084 1 968 . 1 1 81 81 LYS HE2 H 1 2.924 0.030 . 1 . . . . 81 LYS HE2 . 11084 1 969 . 1 1 81 81 LYS HE3 H 1 2.924 0.030 . 1 . . . . 81 LYS HE3 . 11084 1 970 . 1 1 81 81 LYS HG2 H 1 1.592 0.030 . 2 . . . . 81 LYS HG2 . 11084 1 971 . 1 1 81 81 LYS HG3 H 1 1.414 0.030 . 2 . . . . 81 LYS HG3 . 11084 1 972 . 1 1 81 81 LYS C C 13 177.861 0.300 . 1 . . . . 81 LYS C . 11084 1 973 . 1 1 81 81 LYS CA C 13 57.635 0.300 . 1 . . . . 81 LYS CA . 11084 1 974 . 1 1 81 81 LYS CB C 13 30.282 0.300 . 1 . . . . 81 LYS CB . 11084 1 975 . 1 1 81 81 LYS CD C 13 27.304 0.300 . 1 . . . . 81 LYS CD . 11084 1 976 . 1 1 81 81 LYS CE C 13 39.848 0.300 . 1 . . . . 81 LYS CE . 11084 1 977 . 1 1 81 81 LYS CG C 13 23.364 0.300 . 1 . . . . 81 LYS CG . 11084 1 978 . 1 1 81 81 LYS N N 15 117.635 0.300 . 1 . . . . 81 LYS N . 11084 1 979 . 1 1 82 82 ALA H H 1 7.856 0.030 . 1 . . . . 82 ALA H . 11084 1 980 . 1 1 82 82 ALA HA H 1 4.211 0.030 . 1 . . . . 82 ALA HA . 11084 1 981 . 1 1 82 82 ALA HB1 H 1 1.363 0.030 . 1 . . . . 82 ALA HB . 11084 1 982 . 1 1 82 82 ALA HB2 H 1 1.363 0.030 . 1 . . . . 82 ALA HB . 11084 1 983 . 1 1 82 82 ALA HB3 H 1 1.363 0.030 . 1 . . . . 82 ALA HB . 11084 1 984 . 1 1 82 82 ALA C C 13 178.488 0.300 . 1 . . . . 82 ALA C . 11084 1 985 . 1 1 82 82 ALA CA C 13 52.097 0.300 . 1 . . . . 82 ALA CA . 11084 1 986 . 1 1 82 82 ALA CB C 13 16.673 0.300 . 1 . . . . 82 ALA CB . 11084 1 987 . 1 1 82 82 ALA N N 15 122.231 0.300 . 1 . . . . 82 ALA N . 11084 1 988 . 1 1 83 83 MET H H 1 8.081 0.030 . 1 . . . . 83 MET H . 11084 1 989 . 1 1 83 83 MET HA H 1 3.587 0.030 . 1 . . . . 83 MET HA . 11084 1 990 . 1 1 83 83 MET HB2 H 1 1.593 0.030 . 2 . . . . 83 MET HB2 . 11084 1 991 . 1 1 83 83 MET HB3 H 1 2.514 0.030 . 2 . . . . 83 MET HB3 . 11084 1 992 . 1 1 83 83 MET HE1 H 1 1.813 0.030 . 1 . . . . 83 MET HE . 11084 1 993 . 1 1 83 83 MET HE2 H 1 1.813 0.030 . 1 . . . . 83 MET HE . 11084 1 994 . 1 1 83 83 MET HE3 H 1 1.813 0.030 . 1 . . . . 83 MET HE . 11084 1 995 . 1 1 83 83 MET HG2 H 1 1.773 0.030 . 2 . . . . 83 MET HG2 . 11084 1 996 . 1 1 83 83 MET HG3 H 1 1.622 0.030 . 2 . . . . 83 MET HG3 . 11084 1 997 . 1 1 83 83 MET C C 13 176.692 0.300 . 1 . . . . 83 MET C . 11084 1 998 . 1 1 83 83 MET CA C 13 59.067 0.300 . 1 . . . . 83 MET CA . 11084 1 999 . 1 1 83 83 MET CB C 13 32.030 0.300 . 1 . . . . 83 MET CB . 11084 1 1000 . 1 1 83 83 MET CE C 13 15.591 0.300 . 1 . . . . 83 MET CE . 11084 1 1001 . 1 1 83 83 MET CG C 13 30.193 0.300 . 1 . . . . 83 MET CG . 11084 1 1002 . 1 1 83 83 MET N N 15 120.293 0.300 . 1 . . . . 83 MET N . 11084 1 1003 . 1 1 84 84 VAL H H 1 7.658 0.030 . 1 . . . . 84 VAL H . 11084 1 1004 . 1 1 84 84 VAL HA H 1 3.707 0.030 . 1 . . . . 84 VAL HA . 11084 1 1005 . 1 1 84 84 VAL HB H 1 2.261 0.030 . 1 . . . . 84 VAL HB . 11084 1 1006 . 1 1 84 84 VAL HG11 H 1 0.894 0.030 . 1 . . . . 84 VAL HG1 . 11084 1 1007 . 1 1 84 84 VAL HG12 H 1 0.894 0.030 . 1 . . . . 84 VAL HG1 . 11084 1 1008 . 1 1 84 84 VAL HG13 H 1 0.894 0.030 . 1 . . . . 84 VAL HG1 . 11084 1 1009 . 1 1 84 84 VAL HG21 H 1 0.977 0.030 . 1 . . . . 84 VAL HG2 . 11084 1 1010 . 1 1 84 84 VAL HG22 H 1 0.977 0.030 . 1 . . . . 84 VAL HG2 . 11084 1 1011 . 1 1 84 84 VAL HG23 H 1 0.977 0.030 . 1 . . . . 84 VAL HG2 . 11084 1 1012 . 1 1 84 84 VAL C C 13 179.392 0.300 . 1 . . . . 84 VAL C . 11084 1 1013 . 1 1 84 84 VAL CA C 13 64.640 0.300 . 1 . . . . 84 VAL CA . 11084 1 1014 . 1 1 84 84 VAL CB C 13 29.073 0.300 . 1 . . . . 84 VAL CB . 11084 1 1015 . 1 1 84 84 VAL CG1 C 13 18.666 0.300 . 2 . . . . 84 VAL CG1 . 11084 1 1016 . 1 1 84 84 VAL CG2 C 13 21.397 0.300 . 2 . . . . 84 VAL CG2 . 11084 1 1017 . 1 1 84 84 VAL N N 15 119.961 0.300 . 1 . . . . 84 VAL N . 11084 1 1018 . 1 1 85 85 SER H H 1 8.005 0.030 . 1 . . . . 85 SER H . 11084 1 1019 . 1 1 85 85 SER HA H 1 4.174 0.030 . 1 . . . . 85 SER HA . 11084 1 1020 . 1 1 85 85 SER HB2 H 1 3.961 0.030 . 1 . . . . 85 SER HB2 . 11084 1 1021 . 1 1 85 85 SER HB3 H 1 3.961 0.030 . 1 . . . . 85 SER HB3 . 11084 1 1022 . 1 1 85 85 SER C C 13 173.244 0.300 . 1 . . . . 85 SER C . 11084 1 1023 . 1 1 85 85 SER CA C 13 59.387 0.300 . 1 . . . . 85 SER CA . 11084 1 1024 . 1 1 85 85 SER CB C 13 60.371 0.300 . 1 . . . . 85 SER CB . 11084 1 1025 . 1 1 85 85 SER N N 15 118.063 0.300 . 1 . . . . 85 SER N . 11084 1 1026 . 1 1 86 86 TYR H H 1 7.969 0.030 . 1 . . . . 86 TYR H . 11084 1 1027 . 1 1 86 86 TYR HA H 1 4.299 0.030 . 1 . . . . 86 TYR HA . 11084 1 1028 . 1 1 86 86 TYR HB2 H 1 2.858 0.030 . 2 . . . . 86 TYR HB2 . 11084 1 1029 . 1 1 86 86 TYR HB3 H 1 3.053 0.030 . 2 . . . . 86 TYR HB3 . 11084 1 1030 . 1 1 86 86 TYR HD1 H 1 6.816 0.030 . 1 . . . . 86 TYR HD1 . 11084 1 1031 . 1 1 86 86 TYR HD2 H 1 6.816 0.030 . 1 . . . . 86 TYR HD2 . 11084 1 1032 . 1 1 86 86 TYR HE1 H 1 6.556 0.030 . 1 . . . . 86 TYR HE1 . 11084 1 1033 . 1 1 86 86 TYR HE2 H 1 6.556 0.030 . 1 . . . . 86 TYR HE2 . 11084 1 1034 . 1 1 86 86 TYR C C 13 173.108 0.300 . 1 . . . . 86 TYR C . 11084 1 1035 . 1 1 86 86 TYR CA C 13 56.070 0.300 . 1 . . . . 86 TYR CA . 11084 1 1036 . 1 1 86 86 TYR CB C 13 38.044 0.300 . 1 . . . . 86 TYR CB . 11084 1 1037 . 1 1 86 86 TYR CD1 C 13 130.791 0.300 . 1 . . . . 86 TYR CD1 . 11084 1 1038 . 1 1 86 86 TYR CD2 C 13 130.791 0.300 . 1 . . . . 86 TYR CD2 . 11084 1 1039 . 1 1 86 86 TYR CE1 C 13 115.294 0.300 . 1 . . . . 86 TYR CE1 . 11084 1 1040 . 1 1 86 86 TYR CE2 C 13 115.294 0.300 . 1 . . . . 86 TYR CE2 . 11084 1 1041 . 1 1 86 86 TYR N N 15 121.538 0.300 . 1 . . . . 86 TYR N . 11084 1 1042 . 1 1 87 87 GLY H H 1 7.629 0.030 . 1 . . . . 87 GLY H . 11084 1 1043 . 1 1 87 87 GLY HA2 H 1 3.607 0.030 . 2 . . . . 87 GLY HA2 . 11084 1 1044 . 1 1 87 87 GLY HA3 H 1 4.207 0.030 . 2 . . . . 87 GLY HA3 . 11084 1 1045 . 1 1 87 87 GLY C C 13 173.640 0.300 . 1 . . . . 87 GLY C . 11084 1 1046 . 1 1 87 87 GLY CA C 13 42.207 0.300 . 1 . . . . 87 GLY CA . 11084 1 1047 . 1 1 87 87 GLY N N 15 101.929 0.300 . 1 . . . . 87 GLY N . 11084 1 1048 . 1 1 88 88 MET H H 1 7.758 0.030 . 1 . . . . 88 MET H . 11084 1 1049 . 1 1 88 88 MET HA H 1 4.352 0.030 . 1 . . . . 88 MET HA . 11084 1 1050 . 1 1 88 88 MET HB2 H 1 1.799 0.030 . 2 . . . . 88 MET HB2 . 11084 1 1051 . 1 1 88 88 MET HB3 H 1 1.558 0.030 . 2 . . . . 88 MET HB3 . 11084 1 1052 . 1 1 88 88 MET HE1 H 1 2.132 0.030 . 1 . . . . 88 MET HE . 11084 1 1053 . 1 1 88 88 MET HE2 H 1 2.132 0.030 . 1 . . . . 88 MET HE . 11084 1 1054 . 1 1 88 88 MET HE3 H 1 2.132 0.030 . 1 . . . . 88 MET HE . 11084 1 1055 . 1 1 88 88 MET HG2 H 1 2.471 0.030 . 2 . . . . 88 MET HG2 . 11084 1 1056 . 1 1 88 88 MET HG3 H 1 2.597 0.030 . 2 . . . . 88 MET HG3 . 11084 1 1057 . 1 1 88 88 MET C C 13 173.555 0.300 . 1 . . . . 88 MET C . 11084 1 1058 . 1 1 88 88 MET CA C 13 52.393 0.300 . 1 . . . . 88 MET CA . 11084 1 1059 . 1 1 88 88 MET CB C 13 28.624 0.300 . 1 . . . . 88 MET CB . 11084 1 1060 . 1 1 88 88 MET CE C 13 14.967 0.300 . 1 . . . . 88 MET CE . 11084 1 1061 . 1 1 88 88 MET CG C 13 30.353 0.300 . 1 . . . . 88 MET CG . 11084 1 1062 . 1 1 88 88 MET N N 15 118.102 0.300 . 1 . . . . 88 MET N . 11084 1 1063 . 1 1 89 89 ASN H H 1 9.166 0.030 . 1 . . . . 89 ASN H . 11084 1 1064 . 1 1 89 89 ASN HA H 1 4.803 0.030 . 1 . . . . 89 ASN HA . 11084 1 1065 . 1 1 89 89 ASN HB2 H 1 2.815 0.030 . 2 . . . . 89 ASN HB2 . 11084 1 1066 . 1 1 89 89 ASN HB3 H 1 2.648 0.030 . 2 . . . . 89 ASN HB3 . 11084 1 1067 . 1 1 89 89 ASN HD21 H 1 6.918 0.030 . 2 . . . . 89 ASN HD21 . 11084 1 1068 . 1 1 89 89 ASN HD22 H 1 7.718 0.030 . 2 . . . . 89 ASN HD22 . 11084 1 1069 . 1 1 89 89 ASN C C 13 173.126 0.300 . 1 . . . . 89 ASN C . 11084 1 1070 . 1 1 89 89 ASN CA C 13 49.227 0.300 . 1 . . . . 89 ASN CA . 11084 1 1071 . 1 1 89 89 ASN CB C 13 36.696 0.300 . 1 . . . . 89 ASN CB . 11084 1 1072 . 1 1 89 89 ASN N N 15 122.815 0.300 . 1 . . . . 89 ASN N . 11084 1 1073 . 1 1 89 89 ASN ND2 N 15 113.868 0.300 . 1 . . . . 89 ASN ND2 . 11084 1 1074 . 1 1 90 90 PRO HA H 1 3.988 0.030 . 1 . . . . 90 PRO HA . 11084 1 1075 . 1 1 90 90 PRO HB2 H 1 2.272 0.030 . 2 . . . . 90 PRO HB2 . 11084 1 1076 . 1 1 90 90 PRO HB3 H 1 1.845 0.030 . 2 . . . . 90 PRO HB3 . 11084 1 1077 . 1 1 90 90 PRO HD2 H 1 3.731 0.030 . 2 . . . . 90 PRO HD2 . 11084 1 1078 . 1 1 90 90 PRO HD3 H 1 3.903 0.030 . 2 . . . . 90 PRO HD3 . 11084 1 1079 . 1 1 90 90 PRO HG2 H 1 1.925 0.030 . 2 . . . . 90 PRO HG2 . 11084 1 1080 . 1 1 90 90 PRO HG3 H 1 2.073 0.030 . 2 . . . . 90 PRO HG3 . 11084 1 1081 . 1 1 90 90 PRO C C 13 176.787 0.300 . 1 . . . . 90 PRO C . 11084 1 1082 . 1 1 90 90 PRO CA C 13 63.448 0.300 . 1 . . . . 90 PRO CA . 11084 1 1083 . 1 1 90 90 PRO CB C 13 29.778 0.300 . 1 . . . . 90 PRO CB . 11084 1 1084 . 1 1 90 90 PRO CD C 13 48.318 0.300 . 1 . . . . 90 PRO CD . 11084 1 1085 . 1 1 90 90 PRO CG C 13 25.352 0.300 . 1 . . . . 90 PRO CG . 11084 1 1086 . 1 1 91 91 VAL H H 1 7.770 0.030 . 1 . . . . 91 VAL H . 11084 1 1087 . 1 1 91 91 VAL HA H 1 3.965 0.030 . 1 . . . . 91 VAL HA . 11084 1 1088 . 1 1 91 91 VAL HB H 1 2.107 0.030 . 1 . . . . 91 VAL HB . 11084 1 1089 . 1 1 91 91 VAL HG11 H 1 0.854 0.030 . 1 . . . . 91 VAL HG1 . 11084 1 1090 . 1 1 91 91 VAL HG12 H 1 0.854 0.030 . 1 . . . . 91 VAL HG1 . 11084 1 1091 . 1 1 91 91 VAL HG13 H 1 0.854 0.030 . 1 . . . . 91 VAL HG1 . 11084 1 1092 . 1 1 91 91 VAL HG21 H 1 0.854 0.030 . 1 . . . . 91 VAL HG2 . 11084 1 1093 . 1 1 91 91 VAL HG22 H 1 0.854 0.030 . 1 . . . . 91 VAL HG2 . 11084 1 1094 . 1 1 91 91 VAL HG23 H 1 0.854 0.030 . 1 . . . . 91 VAL HG2 . 11084 1 1095 . 1 1 91 91 VAL C C 13 174.004 0.300 . 1 . . . . 91 VAL C . 11084 1 1096 . 1 1 91 91 VAL CA C 13 61.357 0.300 . 1 . . . . 91 VAL CA . 11084 1 1097 . 1 1 91 91 VAL CB C 13 29.065 0.300 . 1 . . . . 91 VAL CB . 11084 1 1098 . 1 1 91 91 VAL CG1 C 13 18.058 0.300 . 1 . . . . 91 VAL CG1 . 11084 1 1099 . 1 1 91 91 VAL CG2 C 13 18.058 0.300 . 1 . . . . 91 VAL CG2 . 11084 1 1100 . 1 1 91 91 VAL N N 15 112.427 0.300 . 1 . . . . 91 VAL N . 11084 1 1101 . 1 1 92 92 ASP H H 1 7.884 0.030 . 1 . . . . 92 ASP H . 11084 1 1102 . 1 1 92 92 ASP HA H 1 4.753 0.030 . 1 . . . . 92 ASP HA . 11084 1 1103 . 1 1 92 92 ASP HB2 H 1 2.925 0.030 . 2 . . . . 92 ASP HB2 . 11084 1 1104 . 1 1 92 92 ASP HB3 H 1 2.617 0.030 . 2 . . . . 92 ASP HB3 . 11084 1 1105 . 1 1 92 92 ASP C C 13 173.327 0.300 . 1 . . . . 92 ASP C . 11084 1 1106 . 1 1 92 92 ASP CA C 13 51.817 0.300 . 1 . . . . 92 ASP CA . 11084 1 1107 . 1 1 92 92 ASP CB C 13 39.886 0.300 . 1 . . . . 92 ASP CB . 11084 1 1108 . 1 1 92 92 ASP N N 15 118.725 0.300 . 1 . . . . 92 ASP N . 11084 1 1109 . 1 1 93 93 LEU H H 1 6.882 0.030 . 1 . . . . 93 LEU H . 11084 1 1110 . 1 1 93 93 LEU HA H 1 4.354 0.030 . 1 . . . . 93 LEU HA . 11084 1 1111 . 1 1 93 93 LEU HB2 H 1 1.736 0.030 . 2 . . . . 93 LEU HB2 . 11084 1 1112 . 1 1 93 93 LEU HB3 H 1 1.230 0.030 . 2 . . . . 93 LEU HB3 . 11084 1 1113 . 1 1 93 93 LEU HD11 H 1 0.691 0.030 . 1 . . . . 93 LEU HD1 . 11084 1 1114 . 1 1 93 93 LEU HD12 H 1 0.691 0.030 . 1 . . . . 93 LEU HD1 . 11084 1 1115 . 1 1 93 93 LEU HD13 H 1 0.691 0.030 . 1 . . . . 93 LEU HD1 . 11084 1 1116 . 1 1 93 93 LEU HD21 H 1 0.614 0.030 . 1 . . . . 93 LEU HD2 . 11084 1 1117 . 1 1 93 93 LEU HD22 H 1 0.614 0.030 . 1 . . . . 93 LEU HD2 . 11084 1 1118 . 1 1 93 93 LEU HD23 H 1 0.614 0.030 . 1 . . . . 93 LEU HD2 . 11084 1 1119 . 1 1 93 93 LEU HG H 1 1.804 0.030 . 1 . . . . 93 LEU HG . 11084 1 1120 . 1 1 93 93 LEU C C 13 173.377 0.300 . 1 . . . . 93 LEU C . 11084 1 1121 . 1 1 93 93 LEU CA C 13 51.479 0.300 . 1 . . . . 93 LEU CA . 11084 1 1122 . 1 1 93 93 LEU CB C 13 40.583 0.300 . 1 . . . . 93 LEU CB . 11084 1 1123 . 1 1 93 93 LEU CD1 C 13 23.502 0.300 . 2 . . . . 93 LEU CD1 . 11084 1 1124 . 1 1 93 93 LEU CD2 C 13 20.458 0.300 . 2 . . . . 93 LEU CD2 . 11084 1 1125 . 1 1 93 93 LEU CG C 13 23.905 0.300 . 1 . . . . 93 LEU CG . 11084 1 1126 . 1 1 93 93 LEU N N 15 116.007 0.300 . 1 . . . . 93 LEU N . 11084 1 1127 . 1 1 94 94 PHE H H 1 6.437 0.030 . 1 . . . . 94 PHE H . 11084 1 1128 . 1 1 94 94 PHE HA H 1 4.894 0.030 . 1 . . . . 94 PHE HA . 11084 1 1129 . 1 1 94 94 PHE HB2 H 1 2.829 0.030 . 2 . . . . 94 PHE HB2 . 11084 1 1130 . 1 1 94 94 PHE HB3 H 1 3.691 0.030 . 2 . . . . 94 PHE HB3 . 11084 1 1131 . 1 1 94 94 PHE HD1 H 1 7.592 0.030 . 1 . . . . 94 PHE HD1 . 11084 1 1132 . 1 1 94 94 PHE HD2 H 1 7.592 0.030 . 1 . . . . 94 PHE HD2 . 11084 1 1133 . 1 1 94 94 PHE HE1 H 1 7.255 0.030 . 1 . . . . 94 PHE HE1 . 11084 1 1134 . 1 1 94 94 PHE HE2 H 1 7.255 0.030 . 1 . . . . 94 PHE HE2 . 11084 1 1135 . 1 1 94 94 PHE HZ H 1 7.139 0.030 . 1 . . . . 94 PHE HZ . 11084 1 1136 . 1 1 94 94 PHE C C 13 171.183 0.300 . 1 . . . . 94 PHE C . 11084 1 1137 . 1 1 94 94 PHE CA C 13 52.690 0.300 . 1 . . . . 94 PHE CA . 11084 1 1138 . 1 1 94 94 PHE CB C 13 37.847 0.300 . 1 . . . . 94 PHE CB . 11084 1 1139 . 1 1 94 94 PHE CD1 C 13 131.794 0.300 . 1 . . . . 94 PHE CD1 . 11084 1 1140 . 1 1 94 94 PHE CD2 C 13 131.794 0.300 . 1 . . . . 94 PHE CD2 . 11084 1 1141 . 1 1 94 94 PHE CE1 C 13 127.801 0.300 . 1 . . . . 94 PHE CE1 . 11084 1 1142 . 1 1 94 94 PHE CE2 C 13 127.801 0.300 . 1 . . . . 94 PHE CE2 . 11084 1 1143 . 1 1 94 94 PHE CZ C 13 125.966 0.300 . 1 . . . . 94 PHE CZ . 11084 1 1144 . 1 1 94 94 PHE N N 15 112.178 0.300 . 1 . . . . 94 PHE N . 11084 1 1145 . 1 1 95 95 GLU H H 1 8.983 0.030 . 1 . . . . 95 GLU H . 11084 1 1146 . 1 1 95 95 GLU HA H 1 4.523 0.030 . 1 . . . . 95 GLU HA . 11084 1 1147 . 1 1 95 95 GLU HB2 H 1 2.127 0.030 . 2 . . . . 95 GLU HB2 . 11084 1 1148 . 1 1 95 95 GLU HB3 H 1 1.856 0.030 . 2 . . . . 95 GLU HB3 . 11084 1 1149 . 1 1 95 95 GLU HG2 H 1 2.227 0.030 . 2 . . . . 95 GLU HG2 . 11084 1 1150 . 1 1 95 95 GLU HG3 H 1 2.322 0.030 . 2 . . . . 95 GLU HG3 . 11084 1 1151 . 1 1 95 95 GLU C C 13 176.731 0.300 . 1 . . . . 95 GLU C . 11084 1 1152 . 1 1 95 95 GLU CA C 13 52.445 0.300 . 1 . . . . 95 GLU CA . 11084 1 1153 . 1 1 95 95 GLU CB C 13 28.831 0.300 . 1 . . . . 95 GLU CB . 11084 1 1154 . 1 1 95 95 GLU CG C 13 34.348 0.300 . 1 . . . . 95 GLU CG . 11084 1 1155 . 1 1 95 95 GLU N N 15 119.588 0.300 . 1 . . . . 95 GLU N . 11084 1 1156 . 1 1 96 96 ALA H H 1 9.165 0.030 . 1 . . . . 96 ALA H . 11084 1 1157 . 1 1 96 96 ALA HA H 1 3.893 0.030 . 1 . . . . 96 ALA HA . 11084 1 1158 . 1 1 96 96 ALA HB1 H 1 1.329 0.030 . 1 . . . . 96 ALA HB . 11084 1 1159 . 1 1 96 96 ALA HB2 H 1 1.329 0.030 . 1 . . . . 96 ALA HB . 11084 1 1160 . 1 1 96 96 ALA HB3 H 1 1.329 0.030 . 1 . . . . 96 ALA HB . 11084 1 1161 . 1 1 96 96 ALA C C 13 178.374 0.300 . 1 . . . . 96 ALA C . 11084 1 1162 . 1 1 96 96 ALA CA C 13 55.247 0.300 . 1 . . . . 96 ALA CA . 11084 1 1163 . 1 1 96 96 ALA CB C 13 16.080 0.300 . 1 . . . . 96 ALA CB . 11084 1 1164 . 1 1 96 96 ALA N N 15 125.980 0.300 . 1 . . . . 96 ALA N . 11084 1 1165 . 1 1 97 97 ASN H H 1 9.238 0.030 . 1 . . . . 97 ASN H . 11084 1 1166 . 1 1 97 97 ASN HA H 1 4.571 0.030 . 1 . . . . 97 ASN HA . 11084 1 1167 . 1 1 97 97 ASN HB2 H 1 2.802 0.030 . 1 . . . . 97 ASN HB2 . 11084 1 1168 . 1 1 97 97 ASN HB3 H 1 2.802 0.030 . 1 . . . . 97 ASN HB3 . 11084 1 1169 . 1 1 97 97 ASN HD21 H 1 6.595 0.030 . 2 . . . . 97 ASN HD21 . 11084 1 1170 . 1 1 97 97 ASN HD22 H 1 7.493 0.030 . 2 . . . . 97 ASN HD22 . 11084 1 1171 . 1 1 97 97 ASN C C 13 175.722 0.300 . 1 . . . . 97 ASN C . 11084 1 1172 . 1 1 97 97 ASN CA C 13 54.231 0.300 . 1 . . . . 97 ASN CA . 11084 1 1173 . 1 1 97 97 ASN CB C 13 35.971 0.300 . 1 . . . . 97 ASN CB . 11084 1 1174 . 1 1 97 97 ASN N N 15 113.976 0.300 . 1 . . . . 97 ASN N . 11084 1 1175 . 1 1 97 97 ASN ND2 N 15 110.177 0.300 . 1 . . . . 97 ASN ND2 . 11084 1 1176 . 1 1 98 98 ASP H H 1 8.471 0.030 . 1 . . . . 98 ASP H . 11084 1 1177 . 1 1 98 98 ASP HA H 1 4.079 0.030 . 1 . . . . 98 ASP HA . 11084 1 1178 . 1 1 98 98 ASP HB2 H 1 3.146 0.030 . 2 . . . . 98 ASP HB2 . 11084 1 1179 . 1 1 98 98 ASP HB3 H 1 2.829 0.030 . 2 . . . . 98 ASP HB3 . 11084 1 1180 . 1 1 98 98 ASP C C 13 174.296 0.300 . 1 . . . . 98 ASP C . 11084 1 1181 . 1 1 98 98 ASP CA C 13 54.874 0.300 . 1 . . . . 98 ASP CA . 11084 1 1182 . 1 1 98 98 ASP CB C 13 38.360 0.300 . 1 . . . . 98 ASP CB . 11084 1 1183 . 1 1 98 98 ASP N N 15 122.005 0.300 . 1 . . . . 98 ASP N . 11084 1 1184 . 1 1 99 99 LEU H H 1 6.785 0.030 . 1 . . . . 99 LEU H . 11084 1 1185 . 1 1 99 99 LEU HA H 1 4.754 0.030 . 1 . . . . 99 LEU HA . 11084 1 1186 . 1 1 99 99 LEU HB2 H 1 1.853 0.030 . 2 . . . . 99 LEU HB2 . 11084 1 1187 . 1 1 99 99 LEU HB3 H 1 1.341 0.030 . 2 . . . . 99 LEU HB3 . 11084 1 1188 . 1 1 99 99 LEU HD11 H 1 0.887 0.030 . 1 . . . . 99 LEU HD1 . 11084 1 1189 . 1 1 99 99 LEU HD12 H 1 0.887 0.030 . 1 . . . . 99 LEU HD1 . 11084 1 1190 . 1 1 99 99 LEU HD13 H 1 0.887 0.030 . 1 . . . . 99 LEU HD1 . 11084 1 1191 . 1 1 99 99 LEU HD21 H 1 0.824 0.030 . 1 . . . . 99 LEU HD2 . 11084 1 1192 . 1 1 99 99 LEU HD22 H 1 0.824 0.030 . 1 . . . . 99 LEU HD2 . 11084 1 1193 . 1 1 99 99 LEU HD23 H 1 0.824 0.030 . 1 . . . . 99 LEU HD2 . 11084 1 1194 . 1 1 99 99 LEU HG H 1 1.403 0.030 . 1 . . . . 99 LEU HG . 11084 1 1195 . 1 1 99 99 LEU C C 13 177.021 0.300 . 1 . . . . 99 LEU C . 11084 1 1196 . 1 1 99 99 LEU CA C 13 53.016 0.300 . 1 . . . . 99 LEU CA . 11084 1 1197 . 1 1 99 99 LEU CB C 13 42.603 0.300 . 1 . . . . 99 LEU CB . 11084 1 1198 . 1 1 99 99 LEU CD1 C 13 21.692 0.300 . 2 . . . . 99 LEU CD1 . 11084 1 1199 . 1 1 99 99 LEU CD2 C 13 24.420 0.300 . 2 . . . . 99 LEU CD2 . 11084 1 1200 . 1 1 99 99 LEU CG C 13 25.914 0.300 . 1 . . . . 99 LEU CG . 11084 1 1201 . 1 1 99 99 LEU N N 15 112.757 0.300 . 1 . . . . 99 LEU N . 11084 1 1202 . 1 1 100 100 PHE H H 1 9.350 0.030 . 1 . . . . 100 PHE H . 11084 1 1203 . 1 1 100 100 PHE HA H 1 3.841 0.030 . 1 . . . . 100 PHE HA . 11084 1 1204 . 1 1 100 100 PHE HB2 H 1 3.009 0.030 . 1 . . . . 100 PHE HB2 . 11084 1 1205 . 1 1 100 100 PHE HB3 H 1 3.009 0.030 . 1 . . . . 100 PHE HB3 . 11084 1 1206 . 1 1 100 100 PHE HD1 H 1 7.359 0.030 . 1 . . . . 100 PHE HD1 . 11084 1 1207 . 1 1 100 100 PHE HD2 H 1 7.359 0.030 . 1 . . . . 100 PHE HD2 . 11084 1 1208 . 1 1 100 100 PHE HE1 H 1 7.385 0.030 . 1 . . . . 100 PHE HE1 . 11084 1 1209 . 1 1 100 100 PHE HE2 H 1 7.385 0.030 . 1 . . . . 100 PHE HE2 . 11084 1 1210 . 1 1 100 100 PHE HZ H 1 7.107 0.030 . 1 . . . . 100 PHE HZ . 11084 1 1211 . 1 1 100 100 PHE C C 13 173.144 0.300 . 1 . . . . 100 PHE C . 11084 1 1212 . 1 1 100 100 PHE CA C 13 61.380 0.300 . 1 . . . . 100 PHE CA . 11084 1 1213 . 1 1 100 100 PHE CB C 13 38.572 0.300 . 1 . . . . 100 PHE CB . 11084 1 1214 . 1 1 100 100 PHE CD1 C 13 129.987 0.300 . 1 . . . . 100 PHE CD1 . 11084 1 1215 . 1 1 100 100 PHE CD2 C 13 129.987 0.300 . 1 . . . . 100 PHE CD2 . 11084 1 1216 . 1 1 100 100 PHE CE1 C 13 129.892 0.300 . 1 . . . . 100 PHE CE1 . 11084 1 1217 . 1 1 100 100 PHE CE2 C 13 129.892 0.300 . 1 . . . . 100 PHE CE2 . 11084 1 1218 . 1 1 100 100 PHE CZ C 13 127.252 0.300 . 1 . . . . 100 PHE CZ . 11084 1 1219 . 1 1 100 100 PHE N N 15 120.959 0.300 . 1 . . . . 100 PHE N . 11084 1 1220 . 1 1 101 101 GLU H H 1 7.477 0.030 . 1 . . . . 101 GLU H . 11084 1 1221 . 1 1 101 101 GLU HA H 1 4.511 0.030 . 1 . . . . 101 GLU HA . 11084 1 1222 . 1 1 101 101 GLU HB2 H 1 2.261 0.030 . 2 . . . . 101 GLU HB2 . 11084 1 1223 . 1 1 101 101 GLU HB3 H 1 1.732 0.030 . 2 . . . . 101 GLU HB3 . 11084 1 1224 . 1 1 101 101 GLU HG2 H 1 2.367 0.030 . 2 . . . . 101 GLU HG2 . 11084 1 1225 . 1 1 101 101 GLU HG3 H 1 2.155 0.030 . 2 . . . . 101 GLU HG3 . 11084 1 1226 . 1 1 101 101 GLU C C 13 174.598 0.300 . 1 . . . . 101 GLU C . 11084 1 1227 . 1 1 101 101 GLU CA C 13 51.915 0.300 . 1 . . . . 101 GLU CA . 11084 1 1228 . 1 1 101 101 GLU CB C 13 26.895 0.300 . 1 . . . . 101 GLU CB . 11084 1 1229 . 1 1 101 101 GLU CG C 13 33.375 0.300 . 1 . . . . 101 GLU CG . 11084 1 1230 . 1 1 101 101 GLU N N 15 110.657 0.300 . 1 . . . . 101 GLU N . 11084 1 1231 . 1 1 102 102 SER H H 1 7.290 0.030 . 1 . . . . 102 SER H . 11084 1 1232 . 1 1 102 102 SER HA H 1 3.641 0.030 . 1 . . . . 102 SER HA . 11084 1 1233 . 1 1 102 102 SER HB2 H 1 3.944 0.030 . 2 . . . . 102 SER HB2 . 11084 1 1234 . 1 1 102 102 SER HB3 H 1 3.644 0.030 . 2 . . . . 102 SER HB3 . 11084 1 1235 . 1 1 102 102 SER C C 13 173.870 0.300 . 1 . . . . 102 SER C . 11084 1 1236 . 1 1 102 102 SER CA C 13 56.465 0.300 . 1 . . . . 102 SER CA . 11084 1 1237 . 1 1 102 102 SER CB C 13 59.263 0.300 . 1 . . . . 102 SER CB . 11084 1 1238 . 1 1 102 102 SER N N 15 111.364 0.300 . 1 . . . . 102 SER N . 11084 1 1239 . 1 1 103 103 GLY H H 1 7.750 0.030 . 1 . . . . 103 GLY H . 11084 1 1240 . 1 1 103 103 GLY HA2 H 1 3.929 0.030 . 2 . . . . 103 GLY HA2 . 11084 1 1241 . 1 1 103 103 GLY HA3 H 1 3.801 0.030 . 2 . . . . 103 GLY HA3 . 11084 1 1242 . 1 1 103 103 GLY C C 13 173.220 0.300 . 1 . . . . 103 GLY C . 11084 1 1243 . 1 1 103 103 GLY CA C 13 44.932 0.300 . 1 . . . . 103 GLY CA . 11084 1 1244 . 1 1 103 103 GLY N N 15 106.336 0.300 . 1 . . . . 103 GLY N . 11084 1 1245 . 1 1 104 104 ASN H H 1 8.734 0.030 . 1 . . . . 104 ASN H . 11084 1 1246 . 1 1 104 104 ASN HA H 1 4.626 0.030 . 1 . . . . 104 ASN HA . 11084 1 1247 . 1 1 104 104 ASN HB2 H 1 2.844 0.030 . 1 . . . . 104 ASN HB2 . 11084 1 1248 . 1 1 104 104 ASN HB3 H 1 2.844 0.030 . 1 . . . . 104 ASN HB3 . 11084 1 1249 . 1 1 104 104 ASN HD21 H 1 7.842 0.030 . 2 . . . . 104 ASN HD21 . 11084 1 1250 . 1 1 104 104 ASN HD22 H 1 6.855 0.030 . 2 . . . . 104 ASN HD22 . 11084 1 1251 . 1 1 104 104 ASN C C 13 172.426 0.300 . 1 . . . . 104 ASN C . 11084 1 1252 . 1 1 104 104 ASN CA C 13 50.455 0.300 . 1 . . . . 104 ASN CA . 11084 1 1253 . 1 1 104 104 ASN CB C 13 33.943 0.300 . 1 . . . . 104 ASN CB . 11084 1 1254 . 1 1 104 104 ASN N N 15 116.103 0.300 . 1 . . . . 104 ASN N . 11084 1 1255 . 1 1 104 104 ASN ND2 N 15 111.651 0.300 . 1 . . . . 104 ASN ND2 . 11084 1 1256 . 1 1 105 105 MET H H 1 9.122 0.030 . 1 . . . . 105 MET H . 11084 1 1257 . 1 1 105 105 MET HA H 1 4.577 0.030 . 1 . . . . 105 MET HA . 11084 1 1258 . 1 1 105 105 MET HB2 H 1 1.868 0.030 . 2 . . . . 105 MET HB2 . 11084 1 1259 . 1 1 105 105 MET HB3 H 1 1.815 0.030 . 2 . . . . 105 MET HB3 . 11084 1 1260 . 1 1 105 105 MET HE1 H 1 2.000 0.030 . 1 . . . . 105 MET HE . 11084 1 1261 . 1 1 105 105 MET HE2 H 1 2.000 0.030 . 1 . . . . 105 MET HE . 11084 1 1262 . 1 1 105 105 MET HE3 H 1 2.000 0.030 . 1 . . . . 105 MET HE . 11084 1 1263 . 1 1 105 105 MET HG2 H 1 2.845 0.030 . 2 . . . . 105 MET HG2 . 11084 1 1264 . 1 1 105 105 MET HG3 H 1 2.211 0.030 . 2 . . . . 105 MET HG3 . 11084 1 1265 . 1 1 105 105 MET C C 13 177.626 0.300 . 1 . . . . 105 MET C . 11084 1 1266 . 1 1 105 105 MET CA C 13 52.875 0.300 . 1 . . . . 105 MET CA . 11084 1 1267 . 1 1 105 105 MET CB C 13 26.674 0.300 . 1 . . . . 105 MET CB . 11084 1 1268 . 1 1 105 105 MET CE C 13 11.857 0.300 . 1 . . . . 105 MET CE . 11084 1 1269 . 1 1 105 105 MET CG C 13 30.126 0.300 . 1 . . . . 105 MET CG . 11084 1 1270 . 1 1 105 105 MET N N 15 122.442 0.300 . 1 . . . . 105 MET N . 11084 1 1271 . 1 1 106 106 THR H H 1 8.452 0.030 . 1 . . . . 106 THR H . 11084 1 1272 . 1 1 106 106 THR HA H 1 4.264 0.030 . 1 . . . . 106 THR HA . 11084 1 1273 . 1 1 106 106 THR HB H 1 3.906 0.030 . 1 . . . . 106 THR HB . 11084 1 1274 . 1 1 106 106 THR HG21 H 1 1.046 0.030 . 1 . . . . 106 THR HG2 . 11084 1 1275 . 1 1 106 106 THR HG22 H 1 1.046 0.030 . 1 . . . . 106 THR HG2 . 11084 1 1276 . 1 1 106 106 THR HG23 H 1 1.046 0.030 . 1 . . . . 106 THR HG2 . 11084 1 1277 . 1 1 106 106 THR C C 13 173.207 0.300 . 1 . . . . 106 THR C . 11084 1 1278 . 1 1 106 106 THR CA C 13 65.553 0.300 . 1 . . . . 106 THR CA . 11084 1 1279 . 1 1 106 106 THR CB C 13 65.594 0.300 . 1 . . . . 106 THR CB . 11084 1 1280 . 1 1 106 106 THR CG2 C 13 19.955 0.300 . 1 . . . . 106 THR CG2 . 11084 1 1281 . 1 1 106 106 THR N N 15 118.464 0.300 . 1 . . . . 106 THR N . 11084 1 1282 . 1 1 107 107 GLN H H 1 7.314 0.030 . 1 . . . . 107 GLN H . 11084 1 1283 . 1 1 107 107 GLN HA H 1 3.968 0.030 . 1 . . . . 107 GLN HA . 11084 1 1284 . 1 1 107 107 GLN HB2 H 1 1.782 0.030 . 2 . . . . 107 GLN HB2 . 11084 1 1285 . 1 1 107 107 GLN HB3 H 1 2.072 0.030 . 2 . . . . 107 GLN HB3 . 11084 1 1286 . 1 1 107 107 GLN HE21 H 1 6.691 0.030 . 2 . . . . 107 GLN HE21 . 11084 1 1287 . 1 1 107 107 GLN HE22 H 1 7.522 0.030 . 2 . . . . 107 GLN HE22 . 11084 1 1288 . 1 1 107 107 GLN HG2 H 1 2.425 0.030 . 2 . . . . 107 GLN HG2 . 11084 1 1289 . 1 1 107 107 GLN HG3 H 1 2.729 0.030 . 2 . . . . 107 GLN HG3 . 11084 1 1290 . 1 1 107 107 GLN C C 13 176.089 0.300 . 1 . . . . 107 GLN C . 11084 1 1291 . 1 1 107 107 GLN CA C 13 55.088 0.300 . 1 . . . . 107 GLN CA . 11084 1 1292 . 1 1 107 107 GLN CB C 13 25.070 0.300 . 1 . . . . 107 GLN CB . 11084 1 1293 . 1 1 107 107 GLN CG C 13 30.056 0.300 . 1 . . . . 107 GLN CG . 11084 1 1294 . 1 1 107 107 GLN N N 15 121.377 0.300 . 1 . . . . 107 GLN N . 11084 1 1295 . 1 1 107 107 GLN NE2 N 15 110.662 0.300 . 1 . . . . 107 GLN NE2 . 11084 1 1296 . 1 1 108 108 VAL H H 1 7.282 0.030 . 1 . . . . 108 VAL H . 11084 1 1297 . 1 1 108 108 VAL HA H 1 3.048 0.030 . 1 . . . . 108 VAL HA . 11084 1 1298 . 1 1 108 108 VAL HB H 1 2.203 0.030 . 1 . . . . 108 VAL HB . 11084 1 1299 . 1 1 108 108 VAL HG11 H 1 0.405 0.030 . 1 . . . . 108 VAL HG1 . 11084 1 1300 . 1 1 108 108 VAL HG12 H 1 0.405 0.030 . 1 . . . . 108 VAL HG1 . 11084 1 1301 . 1 1 108 108 VAL HG13 H 1 0.405 0.030 . 1 . . . . 108 VAL HG1 . 11084 1 1302 . 1 1 108 108 VAL HG21 H 1 0.429 0.030 . 1 . . . . 108 VAL HG2 . 11084 1 1303 . 1 1 108 108 VAL HG22 H 1 0.429 0.030 . 1 . . . . 108 VAL HG2 . 11084 1 1304 . 1 1 108 108 VAL HG23 H 1 0.429 0.030 . 1 . . . . 108 VAL HG2 . 11084 1 1305 . 1 1 108 108 VAL C C 13 174.925 0.300 . 1 . . . . 108 VAL C . 11084 1 1306 . 1 1 108 108 VAL CA C 13 64.090 0.300 . 1 . . . . 108 VAL CA . 11084 1 1307 . 1 1 108 108 VAL CB C 13 28.617 0.300 . 1 . . . . 108 VAL CB . 11084 1 1308 . 1 1 108 108 VAL CG1 C 13 17.898 0.300 . 2 . . . . 108 VAL CG1 . 11084 1 1309 . 1 1 108 108 VAL CG2 C 13 20.106 0.300 . 2 . . . . 108 VAL CG2 . 11084 1 1310 . 1 1 108 108 VAL N N 15 118.025 0.300 . 1 . . . . 108 VAL N . 11084 1 1311 . 1 1 109 109 GLN H H 1 8.092 0.030 . 1 . . . . 109 GLN H . 11084 1 1312 . 1 1 109 109 GLN HA H 1 3.650 0.030 . 1 . . . . 109 GLN HA . 11084 1 1313 . 1 1 109 109 GLN HB2 H 1 2.043 0.030 . 2 . . . . 109 GLN HB2 . 11084 1 1314 . 1 1 109 109 GLN HB3 H 1 2.311 0.030 . 2 . . . . 109 GLN HB3 . 11084 1 1315 . 1 1 109 109 GLN HE21 H 1 5.670 0.030 . 2 . . . . 109 GLN HE21 . 11084 1 1316 . 1 1 109 109 GLN HE22 H 1 6.375 0.030 . 2 . . . . 109 GLN HE22 . 11084 1 1317 . 1 1 109 109 GLN HG2 H 1 1.909 0.030 . 2 . . . . 109 GLN HG2 . 11084 1 1318 . 1 1 109 109 GLN HG3 H 1 1.757 0.030 . 2 . . . . 109 GLN HG3 . 11084 1 1319 . 1 1 109 109 GLN C C 13 175.045 0.300 . 1 . . . . 109 GLN C . 11084 1 1320 . 1 1 109 109 GLN CA C 13 58.616 0.300 . 1 . . . . 109 GLN CA . 11084 1 1321 . 1 1 109 109 GLN CB C 13 27.466 0.300 . 1 . . . . 109 GLN CB . 11084 1 1322 . 1 1 109 109 GLN CG C 13 33.485 0.300 . 1 . . . . 109 GLN CG . 11084 1 1323 . 1 1 109 109 GLN N N 15 118.313 0.300 . 1 . . . . 109 GLN N . 11084 1 1324 . 1 1 109 109 GLN NE2 N 15 109.201 0.300 . 1 . . . . 109 GLN NE2 . 11084 1 1325 . 1 1 110 110 VAL H H 1 8.440 0.030 . 1 . . . . 110 VAL H . 11084 1 1326 . 1 1 110 110 VAL HA H 1 3.480 0.030 . 1 . . . . 110 VAL HA . 11084 1 1327 . 1 1 110 110 VAL HB H 1 2.084 0.030 . 1 . . . . 110 VAL HB . 11084 1 1328 . 1 1 110 110 VAL HG11 H 1 1.016 0.030 . 1 . . . . 110 VAL HG1 . 11084 1 1329 . 1 1 110 110 VAL HG12 H 1 1.016 0.030 . 1 . . . . 110 VAL HG1 . 11084 1 1330 . 1 1 110 110 VAL HG13 H 1 1.016 0.030 . 1 . . . . 110 VAL HG1 . 11084 1 1331 . 1 1 110 110 VAL HG21 H 1 0.930 0.030 . 1 . . . . 110 VAL HG2 . 11084 1 1332 . 1 1 110 110 VAL HG22 H 1 0.930 0.030 . 1 . . . . 110 VAL HG2 . 11084 1 1333 . 1 1 110 110 VAL HG23 H 1 0.930 0.030 . 1 . . . . 110 VAL HG2 . 11084 1 1334 . 1 1 110 110 VAL C C 13 177.290 0.300 . 1 . . . . 110 VAL C . 11084 1 1335 . 1 1 110 110 VAL CA C 13 64.565 0.300 . 1 . . . . 110 VAL CA . 11084 1 1336 . 1 1 110 110 VAL CB C 13 29.703 0.300 . 1 . . . . 110 VAL CB . 11084 1 1337 . 1 1 110 110 VAL CG1 C 13 20.149 0.300 . 2 . . . . 110 VAL CG1 . 11084 1 1338 . 1 1 110 110 VAL CG2 C 13 18.784 0.300 . 2 . . . . 110 VAL CG2 . 11084 1 1339 . 1 1 110 110 VAL N N 15 117.849 0.300 . 1 . . . . 110 VAL N . 11084 1 1340 . 1 1 111 111 SER H H 1 8.448 0.030 . 1 . . . . 111 SER H . 11084 1 1341 . 1 1 111 111 SER HA H 1 4.349 0.030 . 1 . . . . 111 SER HA . 11084 1 1342 . 1 1 111 111 SER HB2 H 1 4.129 0.030 . 2 . . . . 111 SER HB2 . 11084 1 1343 . 1 1 111 111 SER HB3 H 1 4.015 0.030 . 2 . . . . 111 SER HB3 . 11084 1 1344 . 1 1 111 111 SER C C 13 175.498 0.300 . 1 . . . . 111 SER C . 11084 1 1345 . 1 1 111 111 SER CA C 13 59.309 0.300 . 1 . . . . 111 SER CA . 11084 1 1346 . 1 1 111 111 SER CB C 13 62.536 0.300 . 1 . . . . 111 SER CB . 11084 1 1347 . 1 1 111 111 SER N N 15 116.053 0.300 . 1 . . . . 111 SER N . 11084 1 1348 . 1 1 112 112 LEU H H 1 8.571 0.030 . 1 . . . . 112 LEU H . 11084 1 1349 . 1 1 112 112 LEU HA H 1 4.354 0.030 . 1 . . . . 112 LEU HA . 11084 1 1350 . 1 1 112 112 LEU HB2 H 1 1.507 0.030 . 2 . . . . 112 LEU HB2 . 11084 1 1351 . 1 1 112 112 LEU HB3 H 1 2.129 0.030 . 2 . . . . 112 LEU HB3 . 11084 1 1352 . 1 1 112 112 LEU HD11 H 1 0.874 0.030 . 1 . . . . 112 LEU HD1 . 11084 1 1353 . 1 1 112 112 LEU HD12 H 1 0.874 0.030 . 1 . . . . 112 LEU HD1 . 11084 1 1354 . 1 1 112 112 LEU HD13 H 1 0.874 0.030 . 1 . . . . 112 LEU HD1 . 11084 1 1355 . 1 1 112 112 LEU HD21 H 1 1.130 0.030 . 1 . . . . 112 LEU HD2 . 11084 1 1356 . 1 1 112 112 LEU HD22 H 1 1.130 0.030 . 1 . . . . 112 LEU HD2 . 11084 1 1357 . 1 1 112 112 LEU HD23 H 1 1.130 0.030 . 1 . . . . 112 LEU HD2 . 11084 1 1358 . 1 1 112 112 LEU HG H 1 2.277 0.030 . 1 . . . . 112 LEU HG . 11084 1 1359 . 1 1 112 112 LEU C C 13 177.389 0.300 . 1 . . . . 112 LEU C . 11084 1 1360 . 1 1 112 112 LEU CA C 13 55.511 0.300 . 1 . . . . 112 LEU CA . 11084 1 1361 . 1 1 112 112 LEU CB C 13 40.630 0.300 . 1 . . . . 112 LEU CB . 11084 1 1362 . 1 1 112 112 LEU CD1 C 13 24.248 0.300 . 2 . . . . 112 LEU CD1 . 11084 1 1363 . 1 1 112 112 LEU CD2 C 13 20.329 0.300 . 2 . . . . 112 LEU CD2 . 11084 1 1364 . 1 1 112 112 LEU CG C 13 24.643 0.300 . 1 . . . . 112 LEU CG . 11084 1 1365 . 1 1 112 112 LEU N N 15 117.329 0.300 . 1 . . . . 112 LEU N . 11084 1 1366 . 1 1 113 113 LEU H H 1 8.512 0.030 . 1 . . . . 113 LEU H . 11084 1 1367 . 1 1 113 113 LEU HA H 1 3.864 0.030 . 1 . . . . 113 LEU HA . 11084 1 1368 . 1 1 113 113 LEU HB2 H 1 1.294 0.030 . 2 . . . . 113 LEU HB2 . 11084 1 1369 . 1 1 113 113 LEU HB3 H 1 1.875 0.030 . 2 . . . . 113 LEU HB3 . 11084 1 1370 . 1 1 113 113 LEU HD11 H 1 0.696 0.030 . 1 . . . . 113 LEU HD1 . 11084 1 1371 . 1 1 113 113 LEU HD12 H 1 0.696 0.030 . 1 . . . . 113 LEU HD1 . 11084 1 1372 . 1 1 113 113 LEU HD13 H 1 0.696 0.030 . 1 . . . . 113 LEU HD1 . 11084 1 1373 . 1 1 113 113 LEU HD21 H 1 0.698 0.030 . 1 . . . . 113 LEU HD2 . 11084 1 1374 . 1 1 113 113 LEU HD22 H 1 0.698 0.030 . 1 . . . . 113 LEU HD2 . 11084 1 1375 . 1 1 113 113 LEU HD23 H 1 0.698 0.030 . 1 . . . . 113 LEU HD2 . 11084 1 1376 . 1 1 113 113 LEU HG H 1 1.728 0.030 . 1 . . . . 113 LEU HG . 11084 1 1377 . 1 1 113 113 LEU C C 13 178.585 0.300 . 1 . . . . 113 LEU C . 11084 1 1378 . 1 1 113 113 LEU CA C 13 55.463 0.300 . 1 . . . . 113 LEU CA . 11084 1 1379 . 1 1 113 113 LEU CB C 13 39.306 0.300 . 1 . . . . 113 LEU CB . 11084 1 1380 . 1 1 113 113 LEU CD1 C 13 24.125 0.300 . 2 . . . . 113 LEU CD1 . 11084 1 1381 . 1 1 113 113 LEU CD2 C 13 20.243 0.300 . 2 . . . . 113 LEU CD2 . 11084 1 1382 . 1 1 113 113 LEU CG C 13 24.639 0.300 . 1 . . . . 113 LEU CG . 11084 1 1383 . 1 1 113 113 LEU N N 15 118.869 0.300 . 1 . . . . 113 LEU N . 11084 1 1384 . 1 1 114 114 ALA H H 1 8.145 0.030 . 1 . . . . 114 ALA H . 11084 1 1385 . 1 1 114 114 ALA HA H 1 4.138 0.030 . 1 . . . . 114 ALA HA . 11084 1 1386 . 1 1 114 114 ALA HB1 H 1 1.532 0.030 . 1 . . . . 114 ALA HB . 11084 1 1387 . 1 1 114 114 ALA HB2 H 1 1.532 0.030 . 1 . . . . 114 ALA HB . 11084 1 1388 . 1 1 114 114 ALA HB3 H 1 1.532 0.030 . 1 . . . . 114 ALA HB . 11084 1 1389 . 1 1 114 114 ALA C C 13 178.875 0.300 . 1 . . . . 114 ALA C . 11084 1 1390 . 1 1 114 114 ALA CA C 13 52.480 0.300 . 1 . . . . 114 ALA CA . 11084 1 1391 . 1 1 114 114 ALA CB C 13 14.880 0.300 . 1 . . . . 114 ALA CB . 11084 1 1392 . 1 1 114 114 ALA N N 15 124.528 0.300 . 1 . . . . 114 ALA N . 11084 1 1393 . 1 1 115 115 LEU H H 1 8.706 0.030 . 1 . . . . 115 LEU H . 11084 1 1394 . 1 1 115 115 LEU HA H 1 4.406 0.030 . 1 . . . . 115 LEU HA . 11084 1 1395 . 1 1 115 115 LEU HB2 H 1 2.473 0.030 . 2 . . . . 115 LEU HB2 . 11084 1 1396 . 1 1 115 115 LEU HB3 H 1 1.707 0.030 . 2 . . . . 115 LEU HB3 . 11084 1 1397 . 1 1 115 115 LEU HD11 H 1 0.903 0.030 . 1 . . . . 115 LEU HD1 . 11084 1 1398 . 1 1 115 115 LEU HD12 H 1 0.903 0.030 . 1 . . . . 115 LEU HD1 . 11084 1 1399 . 1 1 115 115 LEU HD13 H 1 0.903 0.030 . 1 . . . . 115 LEU HD1 . 11084 1 1400 . 1 1 115 115 LEU HD21 H 1 1.178 0.030 . 1 . . . . 115 LEU HD2 . 11084 1 1401 . 1 1 115 115 LEU HD22 H 1 1.178 0.030 . 1 . . . . 115 LEU HD2 . 11084 1 1402 . 1 1 115 115 LEU HD23 H 1 1.178 0.030 . 1 . . . . 115 LEU HD2 . 11084 1 1403 . 1 1 115 115 LEU HG H 1 1.772 0.030 . 1 . . . . 115 LEU HG . 11084 1 1404 . 1 1 115 115 LEU C C 13 175.970 0.300 . 1 . . . . 115 LEU C . 11084 1 1405 . 1 1 115 115 LEU CA C 13 56.020 0.300 . 1 . . . . 115 LEU CA . 11084 1 1406 . 1 1 115 115 LEU CB C 13 39.352 0.300 . 1 . . . . 115 LEU CB . 11084 1 1407 . 1 1 115 115 LEU CD1 C 13 21.725 0.300 . 2 . . . . 115 LEU CD1 . 11084 1 1408 . 1 1 115 115 LEU CD2 C 13 24.115 0.300 . 2 . . . . 115 LEU CD2 . 11084 1 1409 . 1 1 115 115 LEU CG C 13 25.227 0.300 . 1 . . . . 115 LEU CG . 11084 1 1410 . 1 1 115 115 LEU N N 15 124.937 0.300 . 1 . . . . 115 LEU N . 11084 1 1411 . 1 1 116 116 ALA H H 1 8.132 0.030 . 1 . . . . 116 ALA H . 11084 1 1412 . 1 1 116 116 ALA HA H 1 3.238 0.030 . 1 . . . . 116 ALA HA . 11084 1 1413 . 1 1 116 116 ALA HB1 H 1 0.088 0.030 . 1 . . . . 116 ALA HB . 11084 1 1414 . 1 1 116 116 ALA HB2 H 1 0.088 0.030 . 1 . . . . 116 ALA HB . 11084 1 1415 . 1 1 116 116 ALA HB3 H 1 0.088 0.030 . 1 . . . . 116 ALA HB . 11084 1 1416 . 1 1 116 116 ALA C C 13 179.099 0.300 . 1 . . . . 116 ALA C . 11084 1 1417 . 1 1 116 116 ALA CA C 13 53.156 0.300 . 1 . . . . 116 ALA CA . 11084 1 1418 . 1 1 116 116 ALA CB C 13 13.131 0.300 . 1 . . . . 116 ALA CB . 11084 1 1419 . 1 1 116 116 ALA N N 15 121.409 0.300 . 1 . . . . 116 ALA N . 11084 1 1420 . 1 1 117 117 GLY H H 1 7.950 0.030 . 1 . . . . 117 GLY H . 11084 1 1421 . 1 1 117 117 GLY HA2 H 1 3.749 0.030 . 2 . . . . 117 GLY HA2 . 11084 1 1422 . 1 1 117 117 GLY HA3 H 1 3.657 0.030 . 2 . . . . 117 GLY HA3 . 11084 1 1423 . 1 1 117 117 GLY C C 13 174.620 0.300 . 1 . . . . 117 GLY C . 11084 1 1424 . 1 1 117 117 GLY CA C 13 44.632 0.300 . 1 . . . . 117 GLY CA . 11084 1 1425 . 1 1 117 117 GLY N N 15 104.992 0.300 . 1 . . . . 117 GLY N . 11084 1 1426 . 1 1 118 118 LYS H H 1 8.134 0.030 . 1 . . . . 118 LYS H . 11084 1 1427 . 1 1 118 118 LYS HA H 1 4.105 0.030 . 1 . . . . 118 LYS HA . 11084 1 1428 . 1 1 118 118 LYS HB2 H 1 1.958 0.030 . 2 . . . . 118 LYS HB2 . 11084 1 1429 . 1 1 118 118 LYS HB3 H 1 2.126 0.030 . 2 . . . . 118 LYS HB3 . 11084 1 1430 . 1 1 118 118 LYS HD2 H 1 1.557 0.030 . 2 . . . . 118 LYS HD2 . 11084 1 1431 . 1 1 118 118 LYS HD3 H 1 1.512 0.030 . 2 . . . . 118 LYS HD3 . 11084 1 1432 . 1 1 118 118 LYS HE2 H 1 2.650 0.030 . 2 . . . . 118 LYS HE2 . 11084 1 1433 . 1 1 118 118 LYS HE3 H 1 2.796 0.030 . 2 . . . . 118 LYS HE3 . 11084 1 1434 . 1 1 118 118 LYS HG2 H 1 1.341 0.030 . 2 . . . . 118 LYS HG2 . 11084 1 1435 . 1 1 118 118 LYS HG3 H 1 1.297 0.030 . 2 . . . . 118 LYS HG3 . 11084 1 1436 . 1 1 118 118 LYS C C 13 177.242 0.300 . 1 . . . . 118 LYS C . 11084 1 1437 . 1 1 118 118 LYS CA C 13 55.882 0.300 . 1 . . . . 118 LYS CA . 11084 1 1438 . 1 1 118 118 LYS CB C 13 29.553 0.300 . 1 . . . . 118 LYS CB . 11084 1 1439 . 1 1 118 118 LYS CD C 13 25.843 0.300 . 1 . . . . 118 LYS CD . 11084 1 1440 . 1 1 118 118 LYS CE C 13 39.551 0.300 . 1 . . . . 118 LYS CE . 11084 1 1441 . 1 1 118 118 LYS CG C 13 22.372 0.300 . 1 . . . . 118 LYS CG . 11084 1 1442 . 1 1 118 118 LYS N N 15 124.138 0.300 . 1 . . . . 118 LYS N . 11084 1 1443 . 1 1 119 119 ALA H H 1 8.824 0.030 . 1 . . . . 119 ALA H . 11084 1 1444 . 1 1 119 119 ALA HA H 1 4.625 0.030 . 1 . . . . 119 ALA HA . 11084 1 1445 . 1 1 119 119 ALA HB1 H 1 1.716 0.030 . 1 . . . . 119 ALA HB . 11084 1 1446 . 1 1 119 119 ALA HB2 H 1 1.716 0.030 . 1 . . . . 119 ALA HB . 11084 1 1447 . 1 1 119 119 ALA HB3 H 1 1.716 0.030 . 1 . . . . 119 ALA HB . 11084 1 1448 . 1 1 119 119 ALA C C 13 178.902 0.300 . 1 . . . . 119 ALA C . 11084 1 1449 . 1 1 119 119 ALA CA C 13 52.591 0.300 . 1 . . . . 119 ALA CA . 11084 1 1450 . 1 1 119 119 ALA CB C 13 17.076 0.300 . 1 . . . . 119 ALA CB . 11084 1 1451 . 1 1 119 119 ALA N N 15 122.298 0.300 . 1 . . . . 119 ALA N . 11084 1 1452 . 1 1 120 120 LYS H H 1 7.815 0.030 . 1 . . . . 120 LYS H . 11084 1 1453 . 1 1 120 120 LYS HA H 1 4.109 0.030 . 1 . . . . 120 LYS HA . 11084 1 1454 . 1 1 120 120 LYS HB2 H 1 1.904 0.030 . 2 . . . . 120 LYS HB2 . 11084 1 1455 . 1 1 120 120 LYS HB3 H 1 1.861 0.030 . 2 . . . . 120 LYS HB3 . 11084 1 1456 . 1 1 120 120 LYS HD2 H 1 1.552 0.030 . 1 . . . . 120 LYS HD2 . 11084 1 1457 . 1 1 120 120 LYS HD3 H 1 1.552 0.030 . 1 . . . . 120 LYS HD3 . 11084 1 1458 . 1 1 120 120 LYS HE2 H 1 2.779 0.030 . 1 . . . . 120 LYS HE2 . 11084 1 1459 . 1 1 120 120 LYS HE3 H 1 2.779 0.030 . 1 . . . . 120 LYS HE3 . 11084 1 1460 . 1 1 120 120 LYS HG2 H 1 1.381 0.030 . 2 . . . . 120 LYS HG2 . 11084 1 1461 . 1 1 120 120 LYS HG3 H 1 1.500 0.030 . 2 . . . . 120 LYS HG3 . 11084 1 1462 . 1 1 120 120 LYS C C 13 177.027 0.300 . 1 . . . . 120 LYS C . 11084 1 1463 . 1 1 120 120 LYS CA C 13 56.634 0.300 . 1 . . . . 120 LYS CA . 11084 1 1464 . 1 1 120 120 LYS CB C 13 30.119 0.300 . 1 . . . . 120 LYS CB . 11084 1 1465 . 1 1 120 120 LYS CD C 13 26.985 0.300 . 1 . . . . 120 LYS CD . 11084 1 1466 . 1 1 120 120 LYS CE C 13 39.540 0.300 . 1 . . . . 120 LYS CE . 11084 1 1467 . 1 1 120 120 LYS CG C 13 22.869 0.300 . 1 . . . . 120 LYS CG . 11084 1 1468 . 1 1 120 120 LYS N N 15 117.787 0.300 . 1 . . . . 120 LYS N . 11084 1 1469 . 1 1 121 121 THR H H 1 7.720 0.030 . 1 . . . . 121 THR H . 11084 1 1470 . 1 1 121 121 THR HA H 1 4.141 0.030 . 1 . . . . 121 THR HA . 11084 1 1471 . 1 1 121 121 THR HB H 1 4.295 0.030 . 1 . . . . 121 THR HB . 11084 1 1472 . 1 1 121 121 THR HG21 H 1 1.222 0.030 . 1 . . . . 121 THR HG2 . 11084 1 1473 . 1 1 121 121 THR HG22 H 1 1.222 0.030 . 1 . . . . 121 THR HG2 . 11084 1 1474 . 1 1 121 121 THR HG23 H 1 1.222 0.030 . 1 . . . . 121 THR HG2 . 11084 1 1475 . 1 1 121 121 THR C C 13 174.016 0.300 . 1 . . . . 121 THR C . 11084 1 1476 . 1 1 121 121 THR CA C 13 61.963 0.300 . 1 . . . . 121 THR CA . 11084 1 1477 . 1 1 121 121 THR CB C 13 67.086 0.300 . 1 . . . . 121 THR CB . 11084 1 1478 . 1 1 121 121 THR CG2 C 13 19.443 0.300 . 1 . . . . 121 THR CG2 . 11084 1 1479 . 1 1 121 121 THR N N 15 111.998 0.300 . 1 . . . . 121 THR N . 11084 1 1480 . 1 1 122 122 LYS H H 1 7.944 0.030 . 1 . . . . 122 LYS H . 11084 1 1481 . 1 1 122 122 LYS HA H 1 4.158 0.030 . 1 . . . . 122 LYS HA . 11084 1 1482 . 1 1 122 122 LYS HB2 H 1 1.874 0.030 . 1 . . . . 122 LYS HB2 . 11084 1 1483 . 1 1 122 122 LYS HB3 H 1 1.874 0.030 . 1 . . . . 122 LYS HB3 . 11084 1 1484 . 1 1 122 122 LYS HD2 H 1 1.400 0.030 . 1 . . . . 122 LYS HD2 . 11084 1 1485 . 1 1 122 122 LYS HD3 H 1 1.400 0.030 . 1 . . . . 122 LYS HD3 . 11084 1 1486 . 1 1 122 122 LYS HE2 H 1 2.553 0.030 . 2 . . . . 122 LYS HE2 . 11084 1 1487 . 1 1 122 122 LYS HE3 H 1 2.374 0.030 . 2 . . . . 122 LYS HE3 . 11084 1 1488 . 1 1 122 122 LYS HG2 H 1 1.319 0.030 . 2 . . . . 122 LYS HG2 . 11084 1 1489 . 1 1 122 122 LYS HG3 H 1 1.436 0.030 . 2 . . . . 122 LYS HG3 . 11084 1 1490 . 1 1 122 122 LYS C C 13 176.060 0.300 . 1 . . . . 122 LYS C . 11084 1 1491 . 1 1 122 122 LYS CA C 13 55.679 0.300 . 1 . . . . 122 LYS CA . 11084 1 1492 . 1 1 122 122 LYS CB C 13 30.238 0.300 . 1 . . . . 122 LYS CB . 11084 1 1493 . 1 1 122 122 LYS CD C 13 26.917 0.300 . 1 . . . . 122 LYS CD . 11084 1 1494 . 1 1 122 122 LYS CE C 13 39.778 0.300 . 1 . . . . 122 LYS CE . 11084 1 1495 . 1 1 122 122 LYS CG C 13 23.021 0.300 . 1 . . . . 122 LYS CG . 11084 1 1496 . 1 1 122 122 LYS N N 15 121.757 0.300 . 1 . . . . 122 LYS N . 11084 1 1497 . 1 1 123 123 GLY H H 1 8.029 0.030 . 1 . . . . 123 GLY H . 11084 1 1498 . 1 1 123 123 GLY HA2 H 1 3.944 0.030 . 1 . . . . 123 GLY HA2 . 11084 1 1499 . 1 1 123 123 GLY HA3 H 1 3.944 0.030 . 1 . . . . 123 GLY HA3 . 11084 1 1500 . 1 1 123 123 GLY C C 13 172.553 0.300 . 1 . . . . 123 GLY C . 11084 1 1501 . 1 1 123 123 GLY CA C 13 43.308 0.300 . 1 . . . . 123 GLY CA . 11084 1 1502 . 1 1 123 123 GLY N N 15 107.144 0.300 . 1 . . . . 123 GLY N . 11084 1 1503 . 1 1 124 124 LEU H H 1 7.914 0.030 . 1 . . . . 124 LEU H . 11084 1 1504 . 1 1 124 124 LEU HA H 1 4.323 0.030 . 1 . . . . 124 LEU HA . 11084 1 1505 . 1 1 124 124 LEU HB2 H 1 1.657 0.030 . 2 . . . . 124 LEU HB2 . 11084 1 1506 . 1 1 124 124 LEU HB3 H 1 1.560 0.030 . 2 . . . . 124 LEU HB3 . 11084 1 1507 . 1 1 124 124 LEU HD11 H 1 0.853 0.030 . 1 . . . . 124 LEU HD1 . 11084 1 1508 . 1 1 124 124 LEU HD12 H 1 0.853 0.030 . 1 . . . . 124 LEU HD1 . 11084 1 1509 . 1 1 124 124 LEU HD13 H 1 0.853 0.030 . 1 . . . . 124 LEU HD1 . 11084 1 1510 . 1 1 124 124 LEU HD21 H 1 0.887 0.030 . 1 . . . . 124 LEU HD2 . 11084 1 1511 . 1 1 124 124 LEU HD22 H 1 0.887 0.030 . 1 . . . . 124 LEU HD2 . 11084 1 1512 . 1 1 124 124 LEU HD23 H 1 0.887 0.030 . 1 . . . . 124 LEU HD2 . 11084 1 1513 . 1 1 124 124 LEU HG H 1 1.643 0.030 . 1 . . . . 124 LEU HG . 11084 1 1514 . 1 1 124 124 LEU C C 13 175.916 0.300 . 1 . . . . 124 LEU C . 11084 1 1515 . 1 1 124 124 LEU CA C 13 53.305 0.300 . 1 . . . . 124 LEU CA . 11084 1 1516 . 1 1 124 124 LEU CB C 13 40.012 0.300 . 1 . . . . 124 LEU CB . 11084 1 1517 . 1 1 124 124 LEU CD1 C 13 21.396 0.300 . 2 . . . . 124 LEU CD1 . 11084 1 1518 . 1 1 124 124 LEU CD2 C 13 22.768 0.300 . 2 . . . . 124 LEU CD2 . 11084 1 1519 . 1 1 124 124 LEU CG C 13 24.689 0.300 . 1 . . . . 124 LEU CG . 11084 1 1520 . 1 1 124 124 LEU N N 15 121.184 0.300 . 1 . . . . 124 LEU N . 11084 1 1521 . 1 1 125 125 GLN H H 1 8.315 0.030 . 1 . . . . 125 GLN H . 11084 1 1522 . 1 1 125 125 GLN HA H 1 4.329 0.030 . 1 . . . . 125 GLN HA . 11084 1 1523 . 1 1 125 125 GLN HB2 H 1 2.105 0.030 . 2 . . . . 125 GLN HB2 . 11084 1 1524 . 1 1 125 125 GLN HB3 H 1 1.985 0.030 . 2 . . . . 125 GLN HB3 . 11084 1 1525 . 1 1 125 125 GLN HE21 H 1 7.439 0.030 . 2 . . . . 125 GLN HE21 . 11084 1 1526 . 1 1 125 125 GLN HE22 H 1 6.784 0.030 . 2 . . . . 125 GLN HE22 . 11084 1 1527 . 1 1 125 125 GLN HG2 H 1 2.354 0.030 . 1 . . . . 125 GLN HG2 . 11084 1 1528 . 1 1 125 125 GLN HG3 H 1 2.354 0.030 . 1 . . . . 125 GLN HG3 . 11084 1 1529 . 1 1 125 125 GLN C C 13 174.184 0.300 . 1 . . . . 125 GLN C . 11084 1 1530 . 1 1 125 125 GLN CA C 13 53.641 0.300 . 1 . . . . 125 GLN CA . 11084 1 1531 . 1 1 125 125 GLN CB C 13 27.025 0.300 . 1 . . . . 125 GLN CB . 11084 1 1532 . 1 1 125 125 GLN CG C 13 31.585 0.300 . 1 . . . . 125 GLN CG . 11084 1 1533 . 1 1 125 125 GLN N N 15 120.589 0.300 . 1 . . . . 125 GLN N . 11084 1 1534 . 1 1 125 125 GLN NE2 N 15 112.074 0.300 . 1 . . . . 125 GLN NE2 . 11084 1 1535 . 1 1 126 126 SER H H 1 8.250 0.030 . 1 . . . . 126 SER H . 11084 1 1536 . 1 1 126 126 SER HA H 1 4.398 0.030 . 1 . . . . 126 SER HA . 11084 1 1537 . 1 1 126 126 SER HB2 H 1 3.856 0.030 . 2 . . . . 126 SER HB2 . 11084 1 1538 . 1 1 126 126 SER C C 13 173.129 0.300 . 1 . . . . 126 SER C . 11084 1 1539 . 1 1 126 126 SER CA C 13 56.368 0.300 . 1 . . . . 126 SER CA . 11084 1 1540 . 1 1 126 126 SER CB C 13 61.680 0.300 . 1 . . . . 126 SER CB . 11084 1 1541 . 1 1 126 126 SER N N 15 116.170 0.300 . 1 . . . . 126 SER N . 11084 1 1542 . 1 1 127 127 GLY H H 1 8.362 0.030 . 1 . . . . 127 GLY H . 11084 1 1543 . 1 1 127 127 GLY HA2 H 1 3.926 0.030 . 1 . . . . 127 GLY HA2 . 11084 1 1544 . 1 1 127 127 GLY HA3 H 1 3.926 0.030 . 1 . . . . 127 GLY HA3 . 11084 1 1545 . 1 1 127 127 GLY C C 13 172.167 0.300 . 1 . . . . 127 GLY C . 11084 1 1546 . 1 1 127 127 GLY CA C 13 43.185 0.300 . 1 . . . . 127 GLY CA . 11084 1 1547 . 1 1 127 127 GLY N N 15 110.447 0.300 . 1 . . . . 127 GLY N . 11084 1 1548 . 1 1 128 128 VAL H H 1 7.817 0.030 . 1 . . . . 128 VAL H . 11084 1 1549 . 1 1 128 128 VAL HA H 1 4.054 0.030 . 1 . . . . 128 VAL HA . 11084 1 1550 . 1 1 128 128 VAL HB H 1 1.992 0.030 . 1 . . . . 128 VAL HB . 11084 1 1551 . 1 1 128 128 VAL HG11 H 1 0.839 0.030 . 1 . . . . 128 VAL HG1 . 11084 1 1552 . 1 1 128 128 VAL HG12 H 1 0.839 0.030 . 1 . . . . 128 VAL HG1 . 11084 1 1553 . 1 1 128 128 VAL HG13 H 1 0.839 0.030 . 1 . . . . 128 VAL HG1 . 11084 1 1554 . 1 1 128 128 VAL HG21 H 1 0.827 0.030 . 1 . . . . 128 VAL HG2 . 11084 1 1555 . 1 1 128 128 VAL HG22 H 1 0.827 0.030 . 1 . . . . 128 VAL HG2 . 11084 1 1556 . 1 1 128 128 VAL HG23 H 1 0.827 0.030 . 1 . . . . 128 VAL HG2 . 11084 1 1557 . 1 1 128 128 VAL C C 13 173.764 0.300 . 1 . . . . 128 VAL C . 11084 1 1558 . 1 1 128 128 VAL CA C 13 59.873 0.300 . 1 . . . . 128 VAL CA . 11084 1 1559 . 1 1 128 128 VAL CB C 13 30.591 0.300 . 1 . . . . 128 VAL CB . 11084 1 1560 . 1 1 128 128 VAL CG1 C 13 18.840 0.300 . 2 . . . . 128 VAL CG1 . 11084 1 1561 . 1 1 128 128 VAL CG2 C 13 18.040 0.300 . 2 . . . . 128 VAL CG2 . 11084 1 1562 . 1 1 128 128 VAL N N 15 118.261 0.300 . 1 . . . . 128 VAL N . 11084 1 1563 . 1 1 129 129 ASP H H 1 8.347 0.030 . 1 . . . . 129 ASP H . 11084 1 1564 . 1 1 129 129 ASP HA H 1 4.575 0.030 . 1 . . . . 129 ASP HA . 11084 1 1565 . 1 1 129 129 ASP HB2 H 1 2.649 0.030 . 2 . . . . 129 ASP HB2 . 11084 1 1566 . 1 1 129 129 ASP HB3 H 1 2.509 0.030 . 2 . . . . 129 ASP HB3 . 11084 1 1567 . 1 1 129 129 ASP C C 13 174.383 0.300 . 1 . . . . 129 ASP C . 11084 1 1568 . 1 1 129 129 ASP CA C 13 51.879 0.300 . 1 . . . . 129 ASP CA . 11084 1 1569 . 1 1 129 129 ASP CB C 13 38.889 0.300 . 1 . . . . 129 ASP CB . 11084 1 1570 . 1 1 129 129 ASP N N 15 123.618 0.300 . 1 . . . . 129 ASP N . 11084 1 1571 . 1 1 130 130 ILE H H 1 8.007 0.030 . 1 . . . . 130 ILE H . 11084 1 1572 . 1 1 130 130 ILE HA H 1 4.107 0.030 . 1 . . . . 130 ILE HA . 11084 1 1573 . 1 1 130 130 ILE HB H 1 1.858 0.030 . 1 . . . . 130 ILE HB . 11084 1 1574 . 1 1 130 130 ILE HD11 H 1 0.779 0.030 . 1 . . . . 130 ILE HD1 . 11084 1 1575 . 1 1 130 130 ILE HD12 H 1 0.779 0.030 . 1 . . . . 130 ILE HD1 . 11084 1 1576 . 1 1 130 130 ILE HD13 H 1 0.779 0.030 . 1 . . . . 130 ILE HD1 . 11084 1 1577 . 1 1 130 130 ILE HG12 H 1 1.358 0.030 . 2 . . . . 130 ILE HG12 . 11084 1 1578 . 1 1 130 130 ILE HG13 H 1 1.120 0.030 . 2 . . . . 130 ILE HG13 . 11084 1 1579 . 1 1 130 130 ILE HG21 H 1 0.835 0.030 . 1 . . . . 130 ILE HG2 . 11084 1 1580 . 1 1 130 130 ILE HG22 H 1 0.835 0.030 . 1 . . . . 130 ILE HG2 . 11084 1 1581 . 1 1 130 130 ILE HG23 H 1 0.835 0.030 . 1 . . . . 130 ILE HG2 . 11084 1 1582 . 1 1 130 130 ILE C C 13 174.898 0.300 . 1 . . . . 130 ILE C . 11084 1 1583 . 1 1 130 130 ILE CA C 13 59.195 0.300 . 1 . . . . 130 ILE CA . 11084 1 1584 . 1 1 130 130 ILE CB C 13 36.297 0.300 . 1 . . . . 130 ILE CB . 11084 1 1585 . 1 1 130 130 ILE CD1 C 13 11.032 0.300 . 1 . . . . 130 ILE CD1 . 11084 1 1586 . 1 1 130 130 ILE CG1 C 13 24.817 0.300 . 1 . . . . 130 ILE CG1 . 11084 1 1587 . 1 1 130 130 ILE CG2 C 13 15.386 0.300 . 1 . . . . 130 ILE CG2 . 11084 1 1588 . 1 1 130 130 ILE N N 15 120.411 0.300 . 1 . . . . 130 ILE N . 11084 1 1589 . 1 1 131 131 GLY H H 1 8.391 0.030 . 1 . . . . 131 GLY H . 11084 1 1590 . 1 1 131 131 GLY HA2 H 1 3.860 0.030 . 1 . . . . 131 GLY HA2 . 11084 1 1591 . 1 1 131 131 GLY HA3 H 1 3.860 0.030 . 1 . . . . 131 GLY HA3 . 11084 1 1592 . 1 1 131 131 GLY C C 13 172.260 0.300 . 1 . . . . 131 GLY C . 11084 1 1593 . 1 1 131 131 GLY CA C 13 43.105 0.300 . 1 . . . . 131 GLY CA . 11084 1 1594 . 1 1 131 131 GLY N N 15 111.538 0.300 . 1 . . . . 131 GLY N . 11084 1 1595 . 1 1 132 132 VAL H H 1 7.777 0.030 . 1 . . . . 132 VAL H . 11084 1 1596 . 1 1 132 132 VAL HA H 1 3.954 0.030 . 1 . . . . 132 VAL HA . 11084 1 1597 . 1 1 132 132 VAL HB H 1 1.905 0.030 . 1 . . . . 132 VAL HB . 11084 1 1598 . 1 1 132 132 VAL HG11 H 1 0.804 0.030 . 1 . . . . 132 VAL HG1 . 11084 1 1599 . 1 1 132 132 VAL HG12 H 1 0.804 0.030 . 1 . . . . 132 VAL HG1 . 11084 1 1600 . 1 1 132 132 VAL HG13 H 1 0.804 0.030 . 1 . . . . 132 VAL HG1 . 11084 1 1601 . 1 1 132 132 VAL HG21 H 1 0.728 0.030 . 1 . . . . 132 VAL HG2 . 11084 1 1602 . 1 1 132 132 VAL HG22 H 1 0.728 0.030 . 1 . . . . 132 VAL HG2 . 11084 1 1603 . 1 1 132 132 VAL HG23 H 1 0.728 0.030 . 1 . . . . 132 VAL HG2 . 11084 1 1604 . 1 1 132 132 VAL C C 13 174.108 0.300 . 1 . . . . 132 VAL C . 11084 1 1605 . 1 1 132 132 VAL CA C 13 60.121 0.300 . 1 . . . . 132 VAL CA . 11084 1 1606 . 1 1 132 132 VAL CB C 13 30.398 0.300 . 1 . . . . 132 VAL CB . 11084 1 1607 . 1 1 132 132 VAL CG1 C 13 18.352 0.300 . 2 . . . . 132 VAL CG1 . 11084 1 1608 . 1 1 132 132 VAL CG2 C 13 18.727 0.300 . 2 . . . . 132 VAL CG2 . 11084 1 1609 . 1 1 132 132 VAL N N 15 119.361 0.300 . 1 . . . . 132 VAL N . 11084 1 1610 . 1 1 133 133 LYS H H 1 8.231 0.030 . 1 . . . . 133 LYS H . 11084 1 1611 . 1 1 133 133 LYS HA H 1 4.210 0.030 . 1 . . . . 133 LYS HA . 11084 1 1612 . 1 1 133 133 LYS HB2 H 1 1.614 0.030 . 1 . . . . 133 LYS HB2 . 11084 1 1613 . 1 1 133 133 LYS HB3 H 1 1.614 0.030 . 1 . . . . 133 LYS HB3 . 11084 1 1614 . 1 1 133 133 LYS HD2 H 1 1.564 0.030 . 1 . . . . 133 LYS HD2 . 11084 1 1615 . 1 1 133 133 LYS HD3 H 1 1.564 0.030 . 1 . . . . 133 LYS HD3 . 11084 1 1616 . 1 1 133 133 LYS HE2 H 1 2.921 0.030 . 1 . . . . 133 LYS HE2 . 11084 1 1617 . 1 1 133 133 LYS HE3 H 1 2.921 0.030 . 1 . . . . 133 LYS HE3 . 11084 1 1618 . 1 1 133 133 LYS HG2 H 1 1.289 0.030 . 2 . . . . 133 LYS HG2 . 11084 1 1619 . 1 1 133 133 LYS HG3 H 1 1.204 0.030 . 2 . . . . 133 LYS HG3 . 11084 1 1620 . 1 1 133 133 LYS C C 13 174.472 0.300 . 1 . . . . 133 LYS C . 11084 1 1621 . 1 1 133 133 LYS CA C 13 53.765 0.300 . 1 . . . . 133 LYS CA . 11084 1 1622 . 1 1 133 133 LYS CB C 13 30.721 0.300 . 1 . . . . 133 LYS CB . 11084 1 1623 . 1 1 133 133 LYS CD C 13 26.835 0.300 . 1 . . . . 133 LYS CD . 11084 1 1624 . 1 1 133 133 LYS CE C 13 39.814 0.300 . 1 . . . . 133 LYS CE . 11084 1 1625 . 1 1 133 133 LYS CG C 13 22.297 0.300 . 1 . . . . 133 LYS CG . 11084 1 1626 . 1 1 133 133 LYS N N 15 124.608 0.300 . 1 . . . . 133 LYS N . 11084 1 1627 . 1 1 134 134 TYR H H 1 8.188 0.030 . 1 . . . . 134 TYR H . 11084 1 1628 . 1 1 134 134 TYR HA H 1 4.475 0.030 . 1 . . . . 134 TYR HA . 11084 1 1629 . 1 1 134 134 TYR HB2 H 1 2.967 0.030 . 2 . . . . 134 TYR HB2 . 11084 1 1630 . 1 1 134 134 TYR HB3 H 1 2.865 0.030 . 2 . . . . 134 TYR HB3 . 11084 1 1631 . 1 1 134 134 TYR HD1 H 1 7.032 0.030 . 1 . . . . 134 TYR HD1 . 11084 1 1632 . 1 1 134 134 TYR HD2 H 1 7.032 0.030 . 1 . . . . 134 TYR HD2 . 11084 1 1633 . 1 1 134 134 TYR HE1 H 1 6.727 0.030 . 1 . . . . 134 TYR HE1 . 11084 1 1634 . 1 1 134 134 TYR HE2 H 1 6.727 0.030 . 1 . . . . 134 TYR HE2 . 11084 1 1635 . 1 1 134 134 TYR C C 13 173.943 0.300 . 1 . . . . 134 TYR C . 11084 1 1636 . 1 1 134 134 TYR CA C 13 55.858 0.300 . 1 . . . . 134 TYR CA . 11084 1 1637 . 1 1 134 134 TYR CB C 13 36.529 0.300 . 1 . . . . 134 TYR CB . 11084 1 1638 . 1 1 134 134 TYR CD1 C 13 130.841 0.300 . 1 . . . . 134 TYR CD1 . 11084 1 1639 . 1 1 134 134 TYR CD2 C 13 130.841 0.300 . 1 . . . . 134 TYR CD2 . 11084 1 1640 . 1 1 134 134 TYR CE1 C 13 115.956 0.300 . 1 . . . . 134 TYR CE1 . 11084 1 1641 . 1 1 134 134 TYR CE2 C 13 115.956 0.300 . 1 . . . . 134 TYR CE2 . 11084 1 1642 . 1 1 134 134 TYR N N 15 121.715 0.300 . 1 . . . . 134 TYR N . 11084 1 1643 . 1 1 135 135 SER H H 1 8.058 0.030 . 1 . . . . 135 SER H . 11084 1 1644 . 1 1 135 135 SER HA H 1 4.298 0.030 . 1 . . . . 135 SER HA . 11084 1 1645 . 1 1 135 135 SER HB2 H 1 3.748 0.030 . 2 . . . . 135 SER HB2 . 11084 1 1646 . 1 1 135 135 SER C C 13 172.341 0.300 . 1 . . . . 135 SER C . 11084 1 1647 . 1 1 135 135 SER CA C 13 55.879 0.300 . 1 . . . . 135 SER CA . 11084 1 1648 . 1 1 135 135 SER CB C 13 61.692 0.300 . 1 . . . . 135 SER CB . 11084 1 1649 . 1 1 135 135 SER N N 15 117.129 0.300 . 1 . . . . 135 SER N . 11084 1 1650 . 1 1 136 136 GLU H H 1 8.334 0.030 . 1 . . . . 136 GLU H . 11084 1 1651 . 1 1 136 136 GLU HA H 1 4.192 0.030 . 1 . . . . 136 GLU HA . 11084 1 1652 . 1 1 136 136 GLU HB2 H 1 1.974 0.030 . 2 . . . . 136 GLU HB2 . 11084 1 1653 . 1 1 136 136 GLU HB3 H 1 1.872 0.030 . 2 . . . . 136 GLU HB3 . 11084 1 1654 . 1 1 136 136 GLU HG2 H 1 2.185 0.030 . 2 . . . . 136 GLU HG2 . 11084 1 1655 . 1 1 136 136 GLU C C 13 174.591 0.300 . 1 . . . . 136 GLU C . 11084 1 1656 . 1 1 136 136 GLU CA C 13 54.350 0.300 . 1 . . . . 136 GLU CA . 11084 1 1657 . 1 1 136 136 GLU CB C 13 27.933 0.300 . 1 . . . . 136 GLU CB . 11084 1 1658 . 1 1 136 136 GLU CG C 13 33.876 0.300 . 1 . . . . 136 GLU CG . 11084 1 1659 . 1 1 136 136 GLU N N 15 122.734 0.300 . 1 . . . . 136 GLU N . 11084 1 1660 . 1 1 137 137 LYS H H 1 8.185 0.030 . 1 . . . . 137 LYS H . 11084 1 1661 . 1 1 137 137 LYS HA H 1 4.216 0.030 . 1 . . . . 137 LYS HA . 11084 1 1662 . 1 1 137 137 LYS HB2 H 1 1.740 0.030 . 2 . . . . 137 LYS HB2 . 11084 1 1663 . 1 1 137 137 LYS HB3 H 1 1.661 0.030 . 2 . . . . 137 LYS HB3 . 11084 1 1664 . 1 1 137 137 LYS HD2 H 1 1.616 0.030 . 1 . . . . 137 LYS HD2 . 11084 1 1665 . 1 1 137 137 LYS HD3 H 1 1.616 0.030 . 1 . . . . 137 LYS HD3 . 11084 1 1666 . 1 1 137 137 LYS HE2 H 1 2.925 0.030 . 1 . . . . 137 LYS HE2 . 11084 1 1667 . 1 1 137 137 LYS HE3 H 1 2.925 0.030 . 1 . . . . 137 LYS HE3 . 11084 1 1668 . 1 1 137 137 LYS HG2 H 1 1.325 0.030 . 2 . . . . 137 LYS HG2 . 11084 1 1669 . 1 1 137 137 LYS HG3 H 1 1.358 0.030 . 2 . . . . 137 LYS HG3 . 11084 1 1670 . 1 1 137 137 LYS C C 13 174.582 0.300 . 1 . . . . 137 LYS C . 11084 1 1671 . 1 1 137 137 LYS CA C 13 53.950 0.300 . 1 . . . . 137 LYS CA . 11084 1 1672 . 1 1 137 137 LYS CB C 13 30.540 0.300 . 1 . . . . 137 LYS CB . 11084 1 1673 . 1 1 137 137 LYS CD C 13 26.730 0.300 . 1 . . . . 137 LYS CD . 11084 1 1674 . 1 1 137 137 LYS CE C 13 39.808 0.300 . 1 . . . . 137 LYS CE . 11084 1 1675 . 1 1 137 137 LYS CG C 13 22.396 0.300 . 1 . . . . 137 LYS CG . 11084 1 1676 . 1 1 137 137 LYS N N 15 121.382 0.300 . 1 . . . . 137 LYS N . 11084 1 1677 . 1 1 138 138 GLN H H 1 8.251 0.030 . 1 . . . . 138 GLN H . 11084 1 1678 . 1 1 138 138 GLN HA H 1 4.230 0.030 . 1 . . . . 138 GLN HA . 11084 1 1679 . 1 1 138 138 GLN HB2 H 1 1.994 0.030 . 2 . . . . 138 GLN HB2 . 11084 1 1680 . 1 1 138 138 GLN HE21 H 1 6.765 0.030 . 2 . . . . 138 GLN HE21 . 11084 1 1681 . 1 1 138 138 GLN HE22 H 1 7.431 0.030 . 2 . . . . 138 GLN HE22 . 11084 1 1682 . 1 1 138 138 GLN HG2 H 1 2.241 0.030 . 2 . . . . 138 GLN HG2 . 11084 1 1683 . 1 1 138 138 GLN C C 13 174.049 0.300 . 1 . . . . 138 GLN C . 11084 1 1684 . 1 1 138 138 GLN CA C 13 53.455 0.300 . 1 . . . . 138 GLN CA . 11084 1 1685 . 1 1 138 138 GLN CB C 13 27.140 0.300 . 1 . . . . 138 GLN CB . 11084 1 1686 . 1 1 138 138 GLN CG C 13 31.468 0.300 . 1 . . . . 138 GLN CG . 11084 1 1687 . 1 1 138 138 GLN N N 15 121.261 0.300 . 1 . . . . 138 GLN N . 11084 1 1688 . 1 1 138 138 GLN NE2 N 15 112.197 0.300 . 1 . . . . 138 GLN NE2 . 11084 1 1689 . 1 1 139 139 GLU H H 1 8.394 0.030 . 1 . . . . 139 GLU H . 11084 1 1690 . 1 1 139 139 GLU HA H 1 4.193 0.030 . 1 . . . . 139 GLU HA . 11084 1 1691 . 1 1 139 139 GLU HB2 H 1 1.972 0.030 . 2 . . . . 139 GLU HB2 . 11084 1 1692 . 1 1 139 139 GLU HB3 H 1 1.872 0.030 . 2 . . . . 139 GLU HB3 . 11084 1 1693 . 1 1 139 139 GLU HG2 H 1 2.188 0.030 . 1 . . . . 139 GLU HG2 . 11084 1 1694 . 1 1 139 139 GLU HG3 H 1 2.188 0.030 . 1 . . . . 139 GLU HG3 . 11084 1 1695 . 1 1 139 139 GLU C C 13 174.524 0.300 . 1 . . . . 139 GLU C . 11084 1 1696 . 1 1 139 139 GLU CA C 13 54.355 0.300 . 1 . . . . 139 GLU CA . 11084 1 1697 . 1 1 139 139 GLU CB C 13 27.914 0.300 . 1 . . . . 139 GLU CB . 11084 1 1698 . 1 1 139 139 GLU CG C 13 33.848 0.300 . 1 . . . . 139 GLU CG . 11084 1 1699 . 1 1 139 139 GLU N N 15 122.361 0.300 . 1 . . . . 139 GLU N . 11084 1 1700 . 1 1 140 140 ARG H H 1 8.344 0.030 . 1 . . . . 140 ARG H . 11084 1 1701 . 1 1 140 140 ARG HA H 1 4.331 0.030 . 1 . . . . 140 ARG HA . 11084 1 1702 . 1 1 140 140 ARG HB2 H 1 1.763 0.030 . 2 . . . . 140 ARG HB2 . 11084 1 1703 . 1 1 140 140 ARG HB3 H 1 1.695 0.030 . 2 . . . . 140 ARG HB3 . 11084 1 1704 . 1 1 140 140 ARG C C 13 174.270 0.300 . 1 . . . . 140 ARG C . 11084 1 1705 . 1 1 140 140 ARG CA C 13 53.689 0.300 . 1 . . . . 140 ARG CA . 11084 1 1706 . 1 1 140 140 ARG CB C 13 28.481 0.300 . 1 . . . . 140 ARG CB . 11084 1 1707 . 1 1 140 140 ARG CD C 13 41.011 0.300 . 1 . . . . 140 ARG CD . 11084 1 1708 . 1 1 140 140 ARG CG C 13 28.543 0.300 . 1 . . . . 140 ARG CG . 11084 1 1709 . 1 1 140 140 ARG N N 15 121.772 0.300 . 1 . . . . 140 ARG N . 11084 1 1710 . 1 1 141 141 SER H H 1 8.298 0.030 . 1 . . . . 141 SER H . 11084 1 1711 . 1 1 141 141 SER HA H 1 4.442 0.030 . 1 . . . . 141 SER HA . 11084 1 1712 . 1 1 141 141 SER HB2 H 1 3.805 0.030 . 2 . . . . 141 SER HB2 . 11084 1 1713 . 1 1 141 141 SER C C 13 172.605 0.300 . 1 . . . . 141 SER C . 11084 1 1714 . 1 1 141 141 SER CA C 13 55.953 0.300 . 1 . . . . 141 SER CA . 11084 1 1715 . 1 1 141 141 SER CB C 13 61.766 0.300 . 1 . . . . 141 SER CB . 11084 1 1716 . 1 1 141 141 SER N N 15 116.837 0.300 . 1 . . . . 141 SER N . 11084 1 1717 . 1 1 142 142 GLY H H 1 8.187 0.030 . 1 . . . . 142 GLY H . 11084 1 1718 . 1 1 142 142 GLY C C 13 169.891 0.300 . 1 . . . . 142 GLY C . 11084 1 1719 . 1 1 142 142 GLY CA C 13 42.326 0.300 . 1 . . . . 142 GLY CA . 11084 1 1720 . 1 1 142 142 GLY N N 15 110.358 0.300 . 1 . . . . 142 GLY N . 11084 1 1721 . 1 1 143 143 PRO HA H 1 4.401 0.030 . 1 . . . . 143 PRO HA . 11084 1 1722 . 1 1 143 143 PRO HB2 H 1 1.922 0.030 . 2 . . . . 143 PRO HB2 . 11084 1 1723 . 1 1 143 143 PRO HB3 H 1 2.242 0.030 . 2 . . . . 143 PRO HB3 . 11084 1 1724 . 1 1 143 143 PRO HD2 H 1 3.550 0.030 . 1 . . . . 143 PRO HD2 . 11084 1 1725 . 1 1 143 143 PRO HD3 H 1 3.550 0.030 . 1 . . . . 143 PRO HD3 . 11084 1 1726 . 1 1 143 143 PRO HG2 H 1 1.940 0.030 . 2 . . . . 143 PRO HG2 . 11084 1 1727 . 1 1 143 143 PRO C C 13 175.515 0.300 . 1 . . . . 143 PRO C . 11084 1 1728 . 1 1 143 143 PRO CA C 13 60.933 0.300 . 1 . . . . 143 PRO CA . 11084 1 1729 . 1 1 143 143 PRO CB C 13 29.820 0.300 . 1 . . . . 143 PRO CB . 11084 1 1730 . 1 1 143 143 PRO CD C 13 47.463 0.300 . 1 . . . . 143 PRO CD . 11084 1 1731 . 1 1 143 143 PRO CG C 13 24.787 0.300 . 1 . . . . 143 PRO CG . 11084 1 1732 . 1 1 144 144 SER H H 1 8.461 0.030 . 1 . . . . 144 SER H . 11084 1 1733 . 1 1 144 144 SER HA H 1 4.432 0.030 . 1 . . . . 144 SER HA . 11084 1 1734 . 1 1 144 144 SER HB2 H 1 3.836 0.030 . 2 . . . . 144 SER HB2 . 11084 1 1735 . 1 1 144 144 SER HB3 H 1 3.645 0.030 . 2 . . . . 144 SER HB3 . 11084 1 1736 . 1 1 144 144 SER C C 13 172.757 0.300 . 1 . . . . 144 SER C . 11084 1 1737 . 1 1 144 144 SER CA C 13 56.114 0.300 . 1 . . . . 144 SER CA . 11084 1 1738 . 1 1 144 144 SER CB C 13 61.453 0.300 . 1 . . . . 144 SER CB . 11084 1 1739 . 1 1 144 144 SER N N 15 116.002 0.300 . 1 . . . . 144 SER N . 11084 1 1740 . 1 1 145 145 SER H H 1 8.243 0.030 . 1 . . . . 145 SER H . 11084 1 1741 . 1 1 145 145 SER HA H 1 4.423 0.030 . 1 . . . . 145 SER HA . 11084 1 1742 . 1 1 145 145 SER HB2 H 1 3.822 0.030 . 2 . . . . 145 SER HB2 . 11084 1 1743 . 1 1 145 145 SER C C 13 172.012 0.300 . 1 . . . . 145 SER C . 11084 1 1744 . 1 1 145 145 SER CA C 13 56.100 0.300 . 1 . . . . 145 SER CA . 11084 1 1745 . 1 1 145 145 SER CB C 13 61.786 0.300 . 1 . . . . 145 SER CB . 11084 1 1746 . 1 1 145 145 SER N N 15 117.416 0.300 . 1 . . . . 145 SER N . 11084 1 1747 . 1 1 146 146 GLY H H 1 7.964 0.030 . 1 . . . . 146 GLY H . 11084 1 1748 . 1 1 146 146 GLY C C 13 177.069 0.300 . 1 . . . . 146 GLY C . 11084 1 1749 . 1 1 146 146 GLY CA C 13 43.891 0.300 . 1 . . . . 146 GLY CA . 11084 1 1750 . 1 1 146 146 GLY N N 15 116.481 0.300 . 1 . . . . 146 GLY N . 11084 1 stop_ save_