data_17745 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17745 _Entry.Title ; NMR Assignment of PFV RNase H domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-06-29 _Entry.Accession_date 2011-06-29 _Entry.Last_release_date 2012-03-27 _Entry.Original_release_date 2012-03-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Berit Leo . . . 17745 2 Kristian Schweimer . . . 17745 3 Birgitta Woehrl . . . 17745 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17745 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 600 17745 '15N chemical shifts' 142 17745 '1H chemical shifts' 1006 17745 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 . . 2012-03-27 2011-06-29 original author . 17745 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LSN 'BMRB Entry Tracking System' 17745 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17745 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22325739 _Citation.Full_citation . _Citation.Title 'Insights into the structure and activity of prototype foamy virus RNase H.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Retrovirology _Citation.Journal_name_full Retrovirology _Citation.Journal_volume 9 _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 14 _Citation.Page_last 14 _Citation.Year 2012 _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 Berit Leo . . . 17745 1 2 Maximilian Hartl . J. . 17745 1 3 Kristian Schweimer . . . 17745 1 4 Florian Mayr . . . 17745 1 5 Birgitta Wohrl . M. . 17745 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17745 _Assembly.ID 1 _Assembly.Name 'PFV RNase H' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 'PFV RNase H' 1 $PFV_RNase_H A . yes native no no . . . 17745 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PFV_RNase_H _Entity.Sf_category entity _Entity.Sf_framecode PFV_RNase_H _Entity.Entry_ID 17745 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PFV_RNase_H _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGQYEGVFYTDGSAIKSP DPTKSNNAGMGIVHATYKPE YQVLNQWSIPLGNHTAQMAE IAAVEFACKKALKIPGPVLV ITDSFYVAESANKELPYWKS NGFVNNKKKPLKHISKWKSI AECLSMKPDITIQHEKGHQP TNTSIHTEGNALADKLATQG SYVVN ; _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 165 _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 2015-11-25 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 2LSN . "Solution Structure Of Pfv Rnase H Domain" . . . . . 100.00 165 100.00 100.00 1.28e-117 . . . . 17745 1 2 no GB ACD84902 . "reverse transcriptase, partial [Simian foamy virus]" . . . . . 97.58 239 98.14 99.38 3.01e-111 . . . . 17745 1 3 no GB ACD84909 . "reverse transcriptase, partial [Simian foamy virus]" . . . . . 97.58 238 98.14 98.76 5.47e-111 . . . . 17745 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 . 17745 1 2 . ALA . 17745 1 3 . MET . 17745 1 4 . GLY . 17745 1 5 . GLN . 17745 1 6 . TYR . 17745 1 7 . GLU . 17745 1 8 . GLY . 17745 1 9 . VAL . 17745 1 10 . PHE . 17745 1 11 . TYR . 17745 1 12 . THR . 17745 1 13 . ASP . 17745 1 14 . GLY . 17745 1 15 . SER . 17745 1 16 . ALA . 17745 1 17 . ILE . 17745 1 18 . LYS . 17745 1 19 . SER . 17745 1 20 . PRO . 17745 1 21 . ASP . 17745 1 22 . PRO . 17745 1 23 . THR . 17745 1 24 . LYS . 17745 1 25 . SER . 17745 1 26 . ASN . 17745 1 27 . ASN . 17745 1 28 . ALA . 17745 1 29 . GLY . 17745 1 30 . MET . 17745 1 31 . GLY . 17745 1 32 . ILE . 17745 1 33 . VAL . 17745 1 34 . HIS . 17745 1 35 . ALA . 17745 1 36 . THR . 17745 1 37 . TYR . 17745 1 38 . LYS . 17745 1 39 . PRO . 17745 1 40 . GLU . 17745 1 41 . TYR . 17745 1 42 . GLN . 17745 1 43 . VAL . 17745 1 44 . LEU . 17745 1 45 . ASN . 17745 1 46 . GLN . 17745 1 47 . TRP . 17745 1 48 . SER . 17745 1 49 . ILE . 17745 1 50 . PRO . 17745 1 51 . LEU . 17745 1 52 . GLY . 17745 1 53 . ASN . 17745 1 54 . HIS . 17745 1 55 . THR . 17745 1 56 . ALA . 17745 1 57 . GLN . 17745 1 58 . MET . 17745 1 59 . ALA . 17745 1 60 . GLU . 17745 1 61 . ILE . 17745 1 62 . ALA . 17745 1 63 . ALA . 17745 1 64 . VAL . 17745 1 65 . GLU . 17745 1 66 . PHE . 17745 1 67 . ALA . 17745 1 68 . CYS . 17745 1 69 . LYS . 17745 1 70 . LYS . 17745 1 71 . ALA . 17745 1 72 . LEU . 17745 1 73 . LYS . 17745 1 74 . ILE . 17745 1 75 . PRO . 17745 1 76 . GLY . 17745 1 77 . PRO . 17745 1 78 . VAL . 17745 1 79 . LEU . 17745 1 80 . VAL . 17745 1 81 . ILE . 17745 1 82 . THR . 17745 1 83 . ASP . 17745 1 84 . SER . 17745 1 85 . PHE . 17745 1 86 . TYR . 17745 1 87 . VAL . 17745 1 88 . ALA . 17745 1 89 . GLU . 17745 1 90 . SER . 17745 1 91 . ALA . 17745 1 92 . ASN . 17745 1 93 . LYS . 17745 1 94 . GLU . 17745 1 95 . LEU . 17745 1 96 . PRO . 17745 1 97 . TYR . 17745 1 98 . TRP . 17745 1 99 . LYS . 17745 1 100 . SER . 17745 1 101 . ASN . 17745 1 102 . GLY . 17745 1 103 . PHE . 17745 1 104 . VAL . 17745 1 105 . ASN . 17745 1 106 . ASN . 17745 1 107 . LYS . 17745 1 108 . LYS . 17745 1 109 . LYS . 17745 1 110 . PRO . 17745 1 111 . LEU . 17745 1 112 . LYS . 17745 1 113 . HIS . 17745 1 114 . ILE . 17745 1 115 . SER . 17745 1 116 . LYS . 17745 1 117 . TRP . 17745 1 118 . LYS . 17745 1 119 . SER . 17745 1 120 . ILE . 17745 1 121 . ALA . 17745 1 122 . GLU . 17745 1 123 . CYS . 17745 1 124 . LEU . 17745 1 125 . SER . 17745 1 126 . MET . 17745 1 127 . LYS . 17745 1 128 . PRO . 17745 1 129 . ASP . 17745 1 130 . ILE . 17745 1 131 . THR . 17745 1 132 . ILE . 17745 1 133 . GLN . 17745 1 134 . HIS . 17745 1 135 . GLU . 17745 1 136 . LYS . 17745 1 137 . GLY . 17745 1 138 . HIS . 17745 1 139 . GLN . 17745 1 140 . PRO . 17745 1 141 . THR . 17745 1 142 . ASN . 17745 1 143 . THR . 17745 1 144 . SER . 17745 1 145 . ILE . 17745 1 146 . HIS . 17745 1 147 . THR . 17745 1 148 . GLU . 17745 1 149 . GLY . 17745 1 150 . ASN . 17745 1 151 . ALA . 17745 1 152 . LEU . 17745 1 153 . ALA . 17745 1 154 . ASP . 17745 1 155 . LYS . 17745 1 156 . LEU . 17745 1 157 . ALA . 17745 1 158 . THR . 17745 1 159 . GLN . 17745 1 160 . GLY . 17745 1 161 . SER . 17745 1 162 . TYR . 17745 1 163 . VAL . 17745 1 164 . VAL . 17745 1 165 . ASN . 17745 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 17745 1 . ALA 2 2 17745 1 . MET 3 3 17745 1 . GLY 4 4 17745 1 . GLN 5 5 17745 1 . TYR 6 6 17745 1 . GLU 7 7 17745 1 . GLY 8 8 17745 1 . VAL 9 9 17745 1 . PHE 10 10 17745 1 . TYR 11 11 17745 1 . THR 12 12 17745 1 . ASP 13 13 17745 1 . GLY 14 14 17745 1 . SER 15 15 17745 1 . ALA 16 16 17745 1 . ILE 17 17 17745 1 . LYS 18 18 17745 1 . SER 19 19 17745 1 . PRO 20 20 17745 1 . ASP 21 21 17745 1 . PRO 22 22 17745 1 . THR 23 23 17745 1 . LYS 24 24 17745 1 . SER 25 25 17745 1 . ASN 26 26 17745 1 . ASN 27 27 17745 1 . ALA 28 28 17745 1 . GLY 29 29 17745 1 . MET 30 30 17745 1 . GLY 31 31 17745 1 . ILE 32 32 17745 1 . VAL 33 33 17745 1 . HIS 34 34 17745 1 . ALA 35 35 17745 1 . THR 36 36 17745 1 . TYR 37 37 17745 1 . LYS 38 38 17745 1 . PRO 39 39 17745 1 . GLU 40 40 17745 1 . TYR 41 41 17745 1 . GLN 42 42 17745 1 . VAL 43 43 17745 1 . LEU 44 44 17745 1 . ASN 45 45 17745 1 . GLN 46 46 17745 1 . TRP 47 47 17745 1 . SER 48 48 17745 1 . ILE 49 49 17745 1 . PRO 50 50 17745 1 . LEU 51 51 17745 1 . GLY 52 52 17745 1 . ASN 53 53 17745 1 . HIS 54 54 17745 1 . THR 55 55 17745 1 . ALA 56 56 17745 1 . GLN 57 57 17745 1 . MET 58 58 17745 1 . ALA 59 59 17745 1 . GLU 60 60 17745 1 . ILE 61 61 17745 1 . ALA 62 62 17745 1 . ALA 63 63 17745 1 . VAL 64 64 17745 1 . GLU 65 65 17745 1 . PHE 66 66 17745 1 . ALA 67 67 17745 1 . CYS 68 68 17745 1 . LYS 69 69 17745 1 . LYS 70 70 17745 1 . ALA 71 71 17745 1 . LEU 72 72 17745 1 . LYS 73 73 17745 1 . ILE 74 74 17745 1 . PRO 75 75 17745 1 . GLY 76 76 17745 1 . PRO 77 77 17745 1 . VAL 78 78 17745 1 . LEU 79 79 17745 1 . VAL 80 80 17745 1 . ILE 81 81 17745 1 . THR 82 82 17745 1 . ASP 83 83 17745 1 . SER 84 84 17745 1 . PHE 85 85 17745 1 . TYR 86 86 17745 1 . VAL 87 87 17745 1 . ALA 88 88 17745 1 . GLU 89 89 17745 1 . SER 90 90 17745 1 . ALA 91 91 17745 1 . ASN 92 92 17745 1 . LYS 93 93 17745 1 . GLU 94 94 17745 1 . LEU 95 95 17745 1 . PRO 96 96 17745 1 . TYR 97 97 17745 1 . TRP 98 98 17745 1 . LYS 99 99 17745 1 . SER 100 100 17745 1 . ASN 101 101 17745 1 . GLY 102 102 17745 1 . PHE 103 103 17745 1 . VAL 104 104 17745 1 . ASN 105 105 17745 1 . ASN 106 106 17745 1 . LYS 107 107 17745 1 . LYS 108 108 17745 1 . LYS 109 109 17745 1 . PRO 110 110 17745 1 . LEU 111 111 17745 1 . LYS 112 112 17745 1 . HIS 113 113 17745 1 . ILE 114 114 17745 1 . SER 115 115 17745 1 . LYS 116 116 17745 1 . TRP 117 117 17745 1 . LYS 118 118 17745 1 . SER 119 119 17745 1 . ILE 120 120 17745 1 . ALA 121 121 17745 1 . GLU 122 122 17745 1 . CYS 123 123 17745 1 . LEU 124 124 17745 1 . SER 125 125 17745 1 . MET 126 126 17745 1 . LYS 127 127 17745 1 . PRO 128 128 17745 1 . ASP 129 129 17745 1 . ILE 130 130 17745 1 . THR 131 131 17745 1 . ILE 132 132 17745 1 . GLN 133 133 17745 1 . HIS 134 134 17745 1 . GLU 135 135 17745 1 . LYS 136 136 17745 1 . GLY 137 137 17745 1 . HIS 138 138 17745 1 . GLN 139 139 17745 1 . PRO 140 140 17745 1 . THR 141 141 17745 1 . ASN 142 142 17745 1 . THR 143 143 17745 1 . SER 144 144 17745 1 . ILE 145 145 17745 1 . HIS 146 146 17745 1 . THR 147 147 17745 1 . GLU 148 148 17745 1 . GLY 149 149 17745 1 . ASN 150 150 17745 1 . ALA 151 151 17745 1 . LEU 152 152 17745 1 . ALA 153 153 17745 1 . ASP 154 154 17745 1 . LYS 155 155 17745 1 . LEU 156 156 17745 1 . ALA 157 157 17745 1 . THR 158 158 17745 1 . GLN 159 159 17745 1 . GLY 160 160 17745 1 . SER 161 161 17745 1 . TYR 162 162 17745 1 . VAL 163 163 17745 1 . VAL 164 164 17745 1 . ASN 165 165 17745 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 17745 _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 $PFV_RNase_H . . virus . 'prototype foamy virus' 'prototype foamy virus' . . Viruses . 'foamy virus' 'prototype foamy virus' . . . . . . . . . . . . . . . . . . . . . 17745 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 17745 _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 $PFV_RNase_H . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta DE3' . . . . . . . . . . . . . . . pET-GB1 . . . . . . 17745 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17745 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PFV RNase H' '[U-13C; U-15N]' . . 1 $PFV_RNase_H . . 1 . . mM . . . . 17745 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17745 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17745 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17745 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 17745 1 pressure 1 . atm 17745 1 temperature 298 . K 17745 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 17745 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17745 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17745 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17745 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17745 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17745 2 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 17745 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with TCI-CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 17745 _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 . 700 'equipped with TCI-CryoProbe' . . 17745 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 17745 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17745 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17745 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17745 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17745 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17745 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17745 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17745 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17745 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17745 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17745 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17745 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17745 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17745 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17745 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17745 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17745 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 '2D 1H-15N HSQC' . . . 17745 1 5 '3D HNCACB' . . . 17745 1 6 '3D CBCA(CO)NH' . . . 17745 1 9 '3D HCCH-TOCSY' . . . 17745 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 3 3 MET C C 13 178.23 0.20 . 1 . . . . 3 MET C . 17745 1 2 . 1 1 3 3 MET CA C 13 55.51 0.20 . 1 . . . . 3 MET CA . 17745 1 3 . 1 1 3 3 MET CB C 13 32.70 0.20 . 1 . . . . 3 MET CB . 17745 1 4 . 1 1 4 4 GLY H H 1 8.29 0.03 . 1 . . . . 4 GLY H . 17745 1 5 . 1 1 4 4 GLY HA2 H 1 3.90 0.03 . 2 . . . . 4 GLY HA2 . 17745 1 6 . 1 1 4 4 GLY HA3 H 1 4.14 0.03 . 2 . . . . 4 GLY HA3 . 17745 1 7 . 1 1 4 4 GLY C C 13 174.23 0.20 . 1 . . . . 4 GLY C . 17745 1 8 . 1 1 4 4 GLY CA C 13 46.30 0.20 . 1 . . . . 4 GLY CA . 17745 1 9 . 1 1 4 4 GLY N N 15 107.53 0.20 . 1 . . . . 4 GLY N . 17745 1 10 . 1 1 5 5 GLN H H 1 7.89 0.03 . 1 . . . . 5 GLN H . 17745 1 11 . 1 1 5 5 GLN HA H 1 4.21 0.03 . 1 . . . . 5 GLN HA . 17745 1 12 . 1 1 5 5 GLN HB2 H 1 1.81 0.03 . 2 . . . . 5 GLN HB2 . 17745 1 13 . 1 1 5 5 GLN HB3 H 1 1.81 0.03 . 2 . . . . 5 GLN HB3 . 17745 1 14 . 1 1 5 5 GLN HG2 H 1 1.76 0.03 . 2 . . . . 5 GLN HG2 . 17745 1 15 . 1 1 5 5 GLN HG3 H 1 1.89 0.03 . 2 . . . . 5 GLN HG3 . 17745 1 16 . 1 1 5 5 GLN C C 13 175.67 0.20 . 1 . . . . 5 GLN C . 17745 1 17 . 1 1 5 5 GLN CA C 13 56.00 0.20 . 1 . . . . 5 GLN CA . 17745 1 18 . 1 1 5 5 GLN CB C 13 28.70 0.20 . 1 . . . . 5 GLN CB . 17745 1 19 . 1 1 5 5 GLN CG C 13 33.29 0.20 . 1 . . . . 5 GLN CG . 17745 1 20 . 1 1 5 5 GLN N N 15 117.06 0.20 . 1 . . . . 5 GLN N . 17745 1 21 . 1 1 6 6 TYR H H 1 7.37 0.03 . 1 . . . . 6 TYR H . 17745 1 22 . 1 1 6 6 TYR HA H 1 4.56 0.03 . 1 . . . . 6 TYR HA . 17745 1 23 . 1 1 6 6 TYR HB2 H 1 2.68 0.03 . 2 . . . . 6 TYR HB2 . 17745 1 24 . 1 1 6 6 TYR HB3 H 1 3.29 0.03 . 2 . . . . 6 TYR HB3 . 17745 1 25 . 1 1 6 6 TYR HD1 H 1 7.01 0.03 . 1 . . . . 6 TYR HD1 . 17745 1 26 . 1 1 6 6 TYR HD2 H 1 7.01 0.03 . 1 . . . . 6 TYR HD2 . 17745 1 27 . 1 1 6 6 TYR HE1 H 1 6.78 0.03 . 1 . . . . 6 TYR HE1 . 17745 1 28 . 1 1 6 6 TYR HE2 H 1 6.78 0.03 . 1 . . . . 6 TYR HE2 . 17745 1 29 . 1 1 6 6 TYR C C 13 176.02 0.20 . 1 . . . . 6 TYR C . 17745 1 30 . 1 1 6 6 TYR CA C 13 58.02 0.20 . 1 . . . . 6 TYR CA . 17745 1 31 . 1 1 6 6 TYR CB C 13 39.69 0.20 . 1 . . . . 6 TYR CB . 17745 1 32 . 1 1 6 6 TYR N N 15 118.04 0.20 . 1 . . . . 6 TYR N . 17745 1 33 . 1 1 7 7 GLU H H 1 9.66 0.03 . 1 . . . . 7 GLU H . 17745 1 34 . 1 1 7 7 GLU HA H 1 4.38 0.03 . 1 . . . . 7 GLU HA . 17745 1 35 . 1 1 7 7 GLU HB2 H 1 1.91 0.03 . 2 . . . . 7 GLU HB2 . 17745 1 36 . 1 1 7 7 GLU HB3 H 1 1.99 0.03 . 2 . . . . 7 GLU HB3 . 17745 1 37 . 1 1 7 7 GLU HG2 H 1 2.32 0.03 . 2 . . . . 7 GLU HG2 . 17745 1 38 . 1 1 7 7 GLU HG3 H 1 2.71 0.03 . 2 . . . . 7 GLU HG3 . 17745 1 39 . 1 1 7 7 GLU C C 13 178.01 0.20 . 1 . . . . 7 GLU C . 17745 1 40 . 1 1 7 7 GLU CA C 13 56.88 0.20 . 1 . . . . 7 GLU CA . 17745 1 41 . 1 1 7 7 GLU CB C 13 30.39 0.20 . 1 . . . . 7 GLU CB . 17745 1 42 . 1 1 7 7 GLU CG C 13 36.57 0.20 . 1 . . . . 7 GLU CG . 17745 1 43 . 1 1 7 7 GLU N N 15 123.18 0.20 . 1 . . . . 7 GLU N . 17745 1 44 . 1 1 8 8 GLY H H 1 7.64 0.03 . 1 . . . . 8 GLY H . 17745 1 45 . 1 1 8 8 GLY HA2 H 1 3.70 0.03 . 2 . . . . 8 GLY HA2 . 17745 1 46 . 1 1 8 8 GLY HA3 H 1 4.70 0.03 . 2 . . . . 8 GLY HA3 . 17745 1 47 . 1 1 8 8 GLY C C 13 169.57 0.20 . 1 . . . . 8 GLY C . 17745 1 48 . 1 1 8 8 GLY CA C 13 45.19 0.20 . 1 . . . . 8 GLY CA . 17745 1 49 . 1 1 8 8 GLY N N 15 103.87 0.20 . 1 . . . . 8 GLY N . 17745 1 50 . 1 1 9 9 VAL H H 1 9.04 0.03 . 1 . . . . 9 VAL H . 17745 1 51 . 1 1 9 9 VAL HA H 1 5.22 0.03 . 1 . . . . 9 VAL HA . 17745 1 52 . 1 1 9 9 VAL HB H 1 1.94 0.03 . 1 . . . . 9 VAL HB . 17745 1 53 . 1 1 9 9 VAL HG11 H 1 1.12 0.03 . 2 . . . . 9 VAL MG1 . 17745 1 54 . 1 1 9 9 VAL HG12 H 1 1.12 0.03 . 2 . . . . 9 VAL MG1 . 17745 1 55 . 1 1 9 9 VAL HG13 H 1 1.12 0.03 . 2 . . . . 9 VAL MG1 . 17745 1 56 . 1 1 9 9 VAL HG21 H 1 0.62 0.03 . 2 . . . . 9 VAL MG2 . 17745 1 57 . 1 1 9 9 VAL HG22 H 1 0.62 0.03 . 2 . . . . 9 VAL MG2 . 17745 1 58 . 1 1 9 9 VAL HG23 H 1 0.62 0.03 . 2 . . . . 9 VAL MG2 . 17745 1 59 . 1 1 9 9 VAL C C 13 174.16 0.20 . 1 . . . . 9 VAL C . 17745 1 60 . 1 1 9 9 VAL CA C 13 60.77 0.20 . 1 . . . . 9 VAL CA . 17745 1 61 . 1 1 9 9 VAL CB C 13 35.38 0.20 . 1 . . . . 9 VAL CB . 17745 1 62 . 1 1 9 9 VAL CG1 C 13 21.42 0.20 . 2 . . . . 9 VAL CG1 . 17745 1 63 . 1 1 9 9 VAL CG2 C 13 20.60 0.20 . 2 . . . . 9 VAL CG2 . 17745 1 64 . 1 1 9 9 VAL N N 15 123.00 0.20 . 1 . . . . 9 VAL N . 17745 1 65 . 1 1 10 10 PHE H H 1 9.69 0.03 . 1 . . . . 10 PHE H . 17745 1 66 . 1 1 10 10 PHE HA H 1 6.09 0.03 . 1 . . . . 10 PHE HA . 17745 1 67 . 1 1 10 10 PHE HB2 H 1 2.60 0.03 . 2 . . . . 10 PHE HB2 . 17745 1 68 . 1 1 10 10 PHE HB3 H 1 2.91 0.03 . 2 . . . . 10 PHE HB3 . 17745 1 69 . 1 1 10 10 PHE HD1 H 1 6.98 0.03 . 1 . . . . 10 PHE HD1 . 17745 1 70 . 1 1 10 10 PHE HD2 H 1 6.98 0.03 . 1 . . . . 10 PHE HD2 . 17745 1 71 . 1 1 10 10 PHE HE1 H 1 6.40 0.03 . 1 . . . . 10 PHE HE1 . 17745 1 72 . 1 1 10 10 PHE HE2 H 1 6.40 0.03 . 1 . . . . 10 PHE HE2 . 17745 1 73 . 1 1 10 10 PHE HZ H 1 6.89 0.03 . 1 . . . . 10 PHE HZ . 17745 1 74 . 1 1 10 10 PHE C C 13 174.94 0.20 . 1 . . . . 10 PHE C . 17745 1 75 . 1 1 10 10 PHE CA C 13 55.17 0.20 . 1 . . . . 10 PHE CA . 17745 1 76 . 1 1 10 10 PHE CB C 13 42.44 0.20 . 1 . . . . 10 PHE CB . 17745 1 77 . 1 1 10 10 PHE N N 15 124.54 0.20 . 1 . . . . 10 PHE N . 17745 1 78 . 1 1 11 11 TYR H H 1 9.44 0.03 . 1 . . . . 11 TYR H . 17745 1 79 . 1 1 11 11 TYR HA H 1 4.75 0.03 . 1 . . . . 11 TYR HA . 17745 1 80 . 1 1 11 11 TYR HB2 H 1 2.68 0.03 . 2 . . . . 11 TYR HB2 . 17745 1 81 . 1 1 11 11 TYR HB3 H 1 2.76 0.03 . 2 . . . . 11 TYR HB3 . 17745 1 82 . 1 1 11 11 TYR HD1 H 1 7.05 0.03 . 1 . . . . 11 TYR HD1 . 17745 1 83 . 1 1 11 11 TYR HD2 H 1 7.05 0.03 . 1 . . . . 11 TYR HD2 . 17745 1 84 . 1 1 11 11 TYR HE1 H 1 6.92 0.03 . 1 . . . . 11 TYR HE1 . 17745 1 85 . 1 1 11 11 TYR HE2 H 1 6.92 0.03 . 1 . . . . 11 TYR HE2 . 17745 1 86 . 1 1 11 11 TYR C C 13 176.03 0.20 . 1 . . . . 11 TYR C . 17745 1 87 . 1 1 11 11 TYR CA C 13 58.41 0.20 . 1 . . . . 11 TYR CA . 17745 1 88 . 1 1 11 11 TYR CB C 13 40.60 0.20 . 1 . . . . 11 TYR CB . 17745 1 89 . 1 1 11 11 TYR N N 15 122.30 0.20 . 1 . . . . 11 TYR N . 17745 1 90 . 1 1 12 12 THR H H 1 8.31 0.03 . 1 . . . . 12 THR H . 17745 1 91 . 1 1 12 12 THR HA H 1 5.81 0.03 . 1 . . . . 12 THR HA . 17745 1 92 . 1 1 12 12 THR HB H 1 4.19 0.03 . 1 . . . . 12 THR HB . 17745 1 93 . 1 1 12 12 THR HG21 H 1 1.18 0.03 . 1 . . . . 12 THR MG . 17745 1 94 . 1 1 12 12 THR HG22 H 1 1.18 0.03 . 1 . . . . 12 THR MG . 17745 1 95 . 1 1 12 12 THR HG23 H 1 1.18 0.03 . 1 . . . . 12 THR MG . 17745 1 96 . 1 1 12 12 THR C C 13 173.06 0.20 . 1 . . . . 12 THR C . 17745 1 97 . 1 1 12 12 THR CA C 13 59.36 0.20 . 1 . . . . 12 THR CA . 17745 1 98 . 1 1 12 12 THR CB C 13 71.80 0.20 . 1 . . . . 12 THR CB . 17745 1 99 . 1 1 12 12 THR CG2 C 13 23.22 0.02 . 1 . . . . 12 THR CG2 . 17745 1 100 . 1 1 12 12 THR N N 15 113.12 0.20 . 1 . . . . 12 THR N . 17745 1 101 . 1 1 13 13 ASP H H 1 9.08 0.03 . 1 . . . . 13 ASP H . 17745 1 102 . 1 1 13 13 ASP HA H 1 5.15 0.03 . 1 . . . . 13 ASP HA . 17745 1 103 . 1 1 13 13 ASP HB2 H 1 2.74 0.03 . 2 . . . . 13 ASP HB2 . 17745 1 104 . 1 1 13 13 ASP HB3 H 1 2.74 0.03 . 2 . . . . 13 ASP HB3 . 17745 1 105 . 1 1 13 13 ASP C C 13 173.80 0.20 . 1 . . . . 13 ASP C . 17745 1 106 . 1 1 13 13 ASP CA C 13 54.08 0.20 . 1 . . . . 13 ASP CA . 17745 1 107 . 1 1 13 13 ASP CB C 13 44.35 0.20 . 1 . . . . 13 ASP CB . 17745 1 108 . 1 1 13 13 ASP N N 15 119.86 0.20 . 1 . . . . 13 ASP N . 17745 1 109 . 1 1 14 14 GLY H H 1 8.62 0.03 . 1 . . . . 14 GLY H . 17745 1 110 . 1 1 14 14 GLY HA2 H 1 3.18 0.03 . 2 . . . . 14 GLY HA2 . 17745 1 111 . 1 1 14 14 GLY HA3 H 1 5.06 0.03 . 2 . . . . 14 GLY HA3 . 17745 1 112 . 1 1 14 14 GLY C C 13 171.32 0.20 . 1 . . . . 14 GLY C . 17745 1 113 . 1 1 14 14 GLY CA C 13 44.00 0.20 . 1 . . . . 14 GLY CA . 17745 1 114 . 1 1 14 14 GLY N N 15 108.86 0.20 . 1 . . . . 14 GLY N . 17745 1 115 . 1 1 15 15 SER H H 1 8.66 0.03 . 1 . . . . 15 SER H . 17745 1 116 . 1 1 15 15 SER HA H 1 4.72 0.03 . 1 . . . . 15 SER HA . 17745 1 117 . 1 1 15 15 SER HB2 H 1 3.38 0.03 . 2 . . . . 15 SER HB2 . 17745 1 118 . 1 1 15 15 SER HB3 H 1 3.64 0.03 . 2 . . . . 15 SER HB3 . 17745 1 119 . 1 1 15 15 SER C C 13 172.36 0.20 . 1 . . . . 15 SER C . 17745 1 120 . 1 1 15 15 SER CA C 13 56.86 0.20 . 1 . . . . 15 SER CA . 17745 1 121 . 1 1 15 15 SER CB C 13 65.25 0.20 . 1 . . . . 15 SER CB . 17745 1 122 . 1 1 15 15 SER N N 15 116.64 0.20 . 1 . . . . 15 SER N . 17745 1 123 . 1 1 16 16 ALA H H 1 8.47 0.03 . 1 . . . . 16 ALA H . 17745 1 124 . 1 1 16 16 ALA HA H 1 5.09 0.03 . 1 . . . . 16 ALA HA . 17745 1 125 . 1 1 16 16 ALA HB1 H 1 1.36 0.03 . 1 . . . . 16 ALA MB . 17745 1 126 . 1 1 16 16 ALA HB2 H 1 1.36 0.03 . 1 . . . . 16 ALA MB . 17745 1 127 . 1 1 16 16 ALA HB3 H 1 1.36 0.03 . 1 . . . . 16 ALA MB . 17745 1 128 . 1 1 16 16 ALA C C 13 176.34 0.20 . 1 . . . . 16 ALA C . 17745 1 129 . 1 1 16 16 ALA CA C 13 52.08 0.20 . 1 . . . . 16 ALA CA . 17745 1 130 . 1 1 16 16 ALA CB C 13 22.20 0.20 . 1 . . . . 16 ALA CB . 17745 1 131 . 1 1 16 16 ALA N N 15 124.64 0.20 . 1 . . . . 16 ALA N . 17745 1 132 . 1 1 17 17 ILE H H 1 8.46 0.03 . 1 . . . . 17 ILE H . 17745 1 133 . 1 1 17 17 ILE HA H 1 4.34 0.03 . 1 . . . . 17 ILE HA . 17745 1 134 . 1 1 17 17 ILE HB H 1 1.86 0.03 . 1 . . . . 17 ILE HB . 17745 1 135 . 1 1 17 17 ILE HG12 H 1 1.12 0.03 . 2 . . . . 17 ILE HG12 . 17745 1 136 . 1 1 17 17 ILE HG13 H 1 1.40 0.03 . 2 . . . . 17 ILE HG13 . 17745 1 137 . 1 1 17 17 ILE HG21 H 1 0.90 0.03 . 1 . . . . 17 ILE MG . 17745 1 138 . 1 1 17 17 ILE HG22 H 1 0.90 0.03 . 1 . . . . 17 ILE MG . 17745 1 139 . 1 1 17 17 ILE HG23 H 1 0.90 0.03 . 1 . . . . 17 ILE MG . 17745 1 140 . 1 1 17 17 ILE HD11 H 1 0.74 0.03 . 1 . . . . 17 ILE MD . 17745 1 141 . 1 1 17 17 ILE HD12 H 1 0.74 0.03 . 1 . . . . 17 ILE MD . 17745 1 142 . 1 1 17 17 ILE HD13 H 1 0.74 0.03 . 1 . . . . 17 ILE MD . 17745 1 143 . 1 1 17 17 ILE C C 13 175.94 0.20 . 1 . . . . 17 ILE C . 17745 1 144 . 1 1 17 17 ILE CA C 13 60.33 0.20 . 1 . . . . 17 ILE CA . 17745 1 145 . 1 1 17 17 ILE CB C 13 40.12 0.20 . 1 . . . . 17 ILE CB . 17745 1 146 . 1 1 17 17 ILE CG1 C 13 27.10 0.20 . 1 . . . . 17 ILE CG1 . 17745 1 147 . 1 1 17 17 ILE CG2 C 13 17.57 0.20 . 1 . . . . 17 ILE CG2 . 17745 1 148 . 1 1 17 17 ILE CD1 C 13 13.44 0.20 . 1 . . . . 17 ILE CD1 . 17745 1 149 . 1 1 17 17 ILE N N 15 120.40 0.20 . 1 . . . . 17 ILE N . 17745 1 150 . 1 1 18 18 LYS H H 1 8.50 0.03 . 1 . . . . 18 LYS H . 17745 1 151 . 1 1 18 18 LYS HA H 1 4.43 0.03 . 1 . . . . 18 LYS HA . 17745 1 152 . 1 1 18 18 LYS HB2 H 1 1.80 0.03 . 2 . . . . 18 LYS HB2 . 17745 1 153 . 1 1 18 18 LYS HB3 H 1 1.80 0.03 . 2 . . . . 18 LYS HB3 . 17745 1 154 . 1 1 18 18 LYS HG2 H 1 1.54 0.03 . 2 . . . . 18 LYS HG2 . 17745 1 155 . 1 1 18 18 LYS HG3 H 1 1.54 0.03 . 2 . . . . 18 LYS HG3 . 17745 1 156 . 1 1 18 18 LYS HD2 H 1 1.74 0.03 . 2 . . . . 18 LYS HD2 . 17745 1 157 . 1 1 18 18 LYS HD3 H 1 1.74 0.03 . 2 . . . . 18 LYS HD3 . 17745 1 158 . 1 1 18 18 LYS HE2 H 1 3.06 0.03 . 2 . . . . 18 LYS HE2 . 17745 1 159 . 1 1 18 18 LYS HE3 H 1 3.06 0.03 . 2 . . . . 18 LYS HE3 . 17745 1 160 . 1 1 18 18 LYS C C 13 176.42 0.20 . 1 . . . . 18 LYS C . 17745 1 161 . 1 1 18 18 LYS CA C 13 56.37 0.20 . 1 . . . . 18 LYS CA . 17745 1 162 . 1 1 18 18 LYS CB C 13 32.74 0.20 . 1 . . . . 18 LYS CB . 17745 1 163 . 1 1 18 18 LYS CG C 13 24.81 0.20 . 1 . . . . 18 LYS CG . 17745 1 164 . 1 1 18 18 LYS CD C 13 29.16 0.20 . 1 . . . . 18 LYS CD . 17745 1 165 . 1 1 18 18 LYS CE C 13 42.13 0.20 . 1 . . . . 18 LYS CE . 17745 1 166 . 1 1 18 18 LYS N N 15 126.25 0.20 . 1 . . . . 18 LYS N . 17745 1 167 . 1 1 19 19 SER H H 1 8.23 0.03 . 1 . . . . 19 SER H . 17745 1 168 . 1 1 19 19 SER HA H 1 4.74 0.03 . 1 . . . . 19 SER HA . 17745 1 169 . 1 1 19 19 SER HB2 H 1 3.72 0.03 . 2 . . . . 19 SER HB2 . 17745 1 170 . 1 1 19 19 SER HB3 H 1 3.80 0.03 . 2 . . . . 19 SER HB3 . 17745 1 171 . 1 1 19 19 SER CA C 13 55.52 0.20 . 1 . . . . 19 SER CA . 17745 1 172 . 1 1 19 19 SER CB C 13 64.30 0.20 . 1 . . . . 19 SER CB . 17745 1 173 . 1 1 19 19 SER N N 15 119.00 0.20 . 1 . . . . 19 SER N . 17745 1 174 . 1 1 22 22 PRO HA H 1 4.56 0.03 . 1 . . . . 22 PRO HA . 17745 1 175 . 1 1 22 22 PRO HB2 H 1 2.09 0.03 . 2 . . . . 22 PRO HB2 . 17745 1 176 . 1 1 22 22 PRO HB3 H 1 2.40 0.03 . 2 . . . . 22 PRO HB3 . 17745 1 177 . 1 1 22 22 PRO HG2 H 1 2.03 0.03 . 2 . . . . 22 PRO HG2 . 17745 1 178 . 1 1 22 22 PRO HG3 H 1 2.03 0.03 . 2 . . . . 22 PRO HG3 . 17745 1 179 . 1 1 22 22 PRO HD2 H 1 4.06 0.03 . 2 . . . . 22 PRO HD2 . 17745 1 180 . 1 1 22 22 PRO HD3 H 1 3.99 0.03 . 2 . . . . 22 PRO HD3 . 17745 1 181 . 1 1 22 22 PRO C C 13 177.95 0.20 . 1 . . . . 22 PRO C . 17745 1 182 . 1 1 22 22 PRO CA C 13 64.32 0.20 . 1 . . . . 22 PRO CA . 17745 1 183 . 1 1 22 22 PRO CB C 13 32.25 0.20 . 1 . . . . 22 PRO CB . 17745 1 184 . 1 1 22 22 PRO CG C 13 27.06 0.20 . 1 . . . . 22 PRO CG . 17745 1 185 . 1 1 22 22 PRO CD C 13 50.97 0.20 . 1 . . . . 22 PRO CD . 17745 1 186 . 1 1 23 23 THR H H 1 8.50 0.03 . 1 . . . . 23 THR H . 17745 1 187 . 1 1 23 23 THR HA H 1 4.34 0.03 . 1 . . . . 23 THR HA . 17745 1 188 . 1 1 23 23 THR HB H 1 4.34 0.03 . 1 . . . . 23 THR HB . 17745 1 189 . 1 1 23 23 THR HG21 H 1 1.27 0.03 . 1 . . . . 23 THR MG . 17745 1 190 . 1 1 23 23 THR HG22 H 1 1.27 0.03 . 1 . . . . 23 THR MG . 17745 1 191 . 1 1 23 23 THR HG23 H 1 1.27 0.03 . 1 . . . . 23 THR MG . 17745 1 192 . 1 1 23 23 THR C C 13 174.88 0.20 . 1 . . . . 23 THR C . 17745 1 193 . 1 1 23 23 THR CA C 13 62.88 0.20 . 1 . . . . 23 THR CA . 17745 1 194 . 1 1 23 23 THR CB C 13 69.58 0.20 . 1 . . . . 23 THR CB . 17745 1 195 . 1 1 23 23 THR CG2 C 13 21.77 0.02 . 1 . . . . 23 THR CG2 . 17745 1 196 . 1 1 23 23 THR N N 15 110.08 0.20 . 1 . . . . 23 THR N . 17745 1 197 . 1 1 24 24 LYS H H 1 7.77 0.03 . 1 . . . . 24 LYS H . 17745 1 198 . 1 1 24 24 LYS HA H 1 4.58 0.03 . 1 . . . . 24 LYS HA . 17745 1 199 . 1 1 24 24 LYS HB2 H 1 1.87 0.03 . 2 . . . . 24 LYS HB2 . 17745 1 200 . 1 1 24 24 LYS HB3 H 1 1.87 0.03 . 2 . . . . 24 LYS HB3 . 17745 1 201 . 1 1 24 24 LYS HG2 H 1 1.43 0.03 . 2 . . . . 24 LYS HG2 . 17745 1 202 . 1 1 24 24 LYS HG3 H 1 1.43 0.03 . 2 . . . . 24 LYS HG3 . 17745 1 203 . 1 1 24 24 LYS HD2 H 1 1.69 0.03 . 2 . . . . 24 LYS HD2 . 17745 1 204 . 1 1 24 24 LYS HD3 H 1 1.69 0.03 . 2 . . . . 24 LYS HD3 . 17745 1 205 . 1 1 24 24 LYS HE2 H 1 3.00 0.03 . 2 . . . . 24 LYS HE2 . 17745 1 206 . 1 1 24 24 LYS HE3 H 1 3.00 0.03 . 2 . . . . 24 LYS HE3 . 17745 1 207 . 1 1 24 24 LYS C C 13 176.07 0.20 . 1 . . . . 24 LYS C . 17745 1 208 . 1 1 24 24 LYS CA C 13 55.15 0.20 . 1 . . . . 24 LYS CA . 17745 1 209 . 1 1 24 24 LYS CB C 13 33.90 0.20 . 1 . . . . 24 LYS CB . 17745 1 210 . 1 1 24 24 LYS CG C 13 24.96 0.20 . 1 . . . . 24 LYS CG . 17745 1 211 . 1 1 24 24 LYS CD C 13 29.01 0.20 . 1 . . . . 24 LYS CD . 17745 1 212 . 1 1 24 24 LYS CE C 13 42.27 0.20 . 1 . . . . 24 LYS CE . 17745 1 213 . 1 1 24 24 LYS N N 15 122.22 0.20 . 1 . . . . 24 LYS N . 17745 1 214 . 1 1 25 25 SER H H 1 8.13 0.03 . 1 . . . . 25 SER H . 17745 1 215 . 1 1 25 25 SER HA H 1 4.42 0.03 . 1 . . . . 25 SER HA . 17745 1 216 . 1 1 25 25 SER HB2 H 1 3.89 0.03 . 2 . . . . 25 SER HB2 . 17745 1 217 . 1 1 25 25 SER HB3 H 1 3.89 0.03 . 2 . . . . 25 SER HB3 . 17745 1 218 . 1 1 25 25 SER C C 13 174.32 0.20 . 1 . . . . 25 SER C . 17745 1 219 . 1 1 25 25 SER CA C 13 59.34 0.20 . 1 . . . . 25 SER CA . 17745 1 220 . 1 1 25 25 SER CB C 13 63.92 0.20 . 1 . . . . 25 SER CB . 17745 1 221 . 1 1 25 25 SER N N 15 115.36 0.20 . 1 . . . . 25 SER N . 17745 1 222 . 1 1 26 26 ASN H H 1 8.25 0.03 . 1 . . . . 26 ASN H . 17745 1 223 . 1 1 26 26 ASN HA H 1 5.06 0.03 . 1 . . . . 26 ASN HA . 17745 1 224 . 1 1 26 26 ASN HB2 H 1 2.67 0.03 . 2 . . . . 26 ASN HB2 . 17745 1 225 . 1 1 26 26 ASN HB3 H 1 2.77 0.03 . 2 . . . . 26 ASN HB3 . 17745 1 226 . 1 1 26 26 ASN C C 13 173.98 0.20 . 1 . . . . 26 ASN C . 17745 1 227 . 1 1 26 26 ASN CA C 13 53.28 0.20 . 1 . . . . 26 ASN CA . 17745 1 228 . 1 1 26 26 ASN CB C 13 41.47 0.20 . 1 . . . . 26 ASN CB . 17745 1 229 . 1 1 26 26 ASN N N 15 119.76 0.20 . 1 . . . . 26 ASN N . 17745 1 230 . 1 1 27 27 ASN H H 1 8.43 0.03 . 1 . . . . 27 ASN H . 17745 1 231 . 1 1 27 27 ASN HA H 1 5.02 0.03 . 1 . . . . 27 ASN HA . 17745 1 232 . 1 1 27 27 ASN HB2 H 1 2.67 0.03 . 2 . . . . 27 ASN HB2 . 17745 1 233 . 1 1 27 27 ASN HB3 H 1 2.97 0.03 . 2 . . . . 27 ASN HB3 . 17745 1 234 . 1 1 27 27 ASN C C 13 173.48 0.20 . 1 . . . . 27 ASN C . 17745 1 235 . 1 1 27 27 ASN CA C 13 53.53 0.20 . 1 . . . . 27 ASN CA . 17745 1 236 . 1 1 27 27 ASN CB C 13 41.45 0.20 . 1 . . . . 27 ASN CB . 17745 1 237 . 1 1 27 27 ASN N N 15 118.76 0.20 . 1 . . . . 27 ASN N . 17745 1 238 . 1 1 28 28 ALA H H 1 8.68 0.03 . 1 . . . . 28 ALA H . 17745 1 239 . 1 1 28 28 ALA HA H 1 5.36 0.03 . 1 . . . . 28 ALA HA . 17745 1 240 . 1 1 28 28 ALA HB1 H 1 1.46 0.03 . 1 . . . . 28 ALA MB . 17745 1 241 . 1 1 28 28 ALA HB2 H 1 1.46 0.03 . 1 . . . . 28 ALA MB . 17745 1 242 . 1 1 28 28 ALA HB3 H 1 1.46 0.03 . 1 . . . . 28 ALA MB . 17745 1 243 . 1 1 28 28 ALA C C 13 176.33 0.20 . 1 . . . . 28 ALA C . 17745 1 244 . 1 1 28 28 ALA CA C 13 50.88 0.20 . 1 . . . . 28 ALA CA . 17745 1 245 . 1 1 28 28 ALA CB C 13 23.55 0.20 . 1 . . . . 28 ALA CB . 17745 1 246 . 1 1 28 28 ALA N N 15 124.79 0.20 . 1 . . . . 28 ALA N . 17745 1 247 . 1 1 29 29 GLY H H 1 8.90 0.03 . 1 . . . . 29 GLY H . 17745 1 248 . 1 1 29 29 GLY HA2 H 1 3.85 0.03 . 2 . . . . 29 GLY HA2 . 17745 1 249 . 1 1 29 29 GLY HA3 H 1 4.72 0.03 . 2 . . . . 29 GLY HA3 . 17745 1 250 . 1 1 29 29 GLY C C 13 170.93 0.20 . 1 . . . . 29 GLY C . 17745 1 251 . 1 1 29 29 GLY CA C 13 44.67 0.20 . 1 . . . . 29 GLY CA . 17745 1 252 . 1 1 29 29 GLY N N 15 107.54 0.20 . 1 . . . . 29 GLY N . 17745 1 253 . 1 1 30 30 MET H H 1 8.88 0.03 . 1 . . . . 30 MET H . 17745 1 254 . 1 1 30 30 MET HA H 1 5.57 0.03 . 1 . . . . 30 MET HA . 17745 1 255 . 1 1 30 30 MET HB2 H 1 1.85 0.03 . 2 . . . . 30 MET HB2 . 17745 1 256 . 1 1 30 30 MET HB3 H 1 1.85 0.03 . 2 . . . . 30 MET HB3 . 17745 1 257 . 1 1 30 30 MET HG2 H 1 2.06 0.03 . 2 . . . . 30 MET HG2 . 17745 1 258 . 1 1 30 30 MET HG3 H 1 2.45 0.03 . 2 . . . . 30 MET HG3 . 17745 1 259 . 1 1 30 30 MET HE1 H 1 1.72 0.03 . 1 . . . . 30 MET ME . 17745 1 260 . 1 1 30 30 MET HE2 H 1 1.72 0.03 . 1 . . . . 30 MET ME . 17745 1 261 . 1 1 30 30 MET HE3 H 1 1.72 0.03 . 1 . . . . 30 MET ME . 17745 1 262 . 1 1 30 30 MET C C 13 172.66 0.20 . 1 . . . . 30 MET C . 17745 1 263 . 1 1 30 30 MET CA C 13 53.66 0.20 . 1 . . . . 30 MET CA . 17745 1 264 . 1 1 30 30 MET CB C 13 36.06 0.20 . 1 . . . . 30 MET CB . 17745 1 265 . 1 1 30 30 MET CG C 13 31.26 0.20 . 1 . . . . 30 MET CG . 17745 1 266 . 1 1 30 30 MET CE C 13 18.30 0.20 . 1 . . . . 30 MET CE . 17745 1 267 . 1 1 30 30 MET N N 15 114.05 0.20 . 1 . . . . 30 MET N . 17745 1 268 . 1 1 31 31 GLY H H 1 9.03 0.03 . 1 . . . . 31 GLY H . 17745 1 269 . 1 1 31 31 GLY HA2 H 1 3.95 0.03 . 2 . . . . 31 GLY HA2 . 17745 1 270 . 1 1 31 31 GLY HA3 H 1 5.27 0.03 . 2 . . . . 31 GLY HA3 . 17745 1 271 . 1 1 31 31 GLY C C 13 172.08 0.20 . 1 . . . . 31 GLY C . 17745 1 272 . 1 1 31 31 GLY CA C 13 44.51 0.20 . 1 . . . . 31 GLY CA . 17745 1 273 . 1 1 31 31 GLY N N 15 109.25 0.20 . 1 . . . . 31 GLY N . 17745 1 274 . 1 1 32 32 ILE H H 1 8.85 0.03 . 1 . . . . 32 ILE H . 17745 1 275 . 1 1 32 32 ILE HA H 1 5.70 0.03 . 1 . . . . 32 ILE HA . 17745 1 276 . 1 1 32 32 ILE HB H 1 2.10 0.03 . 1 . . . . 32 ILE HB . 17745 1 277 . 1 1 32 32 ILE HG12 H 1 1.81 0.03 . 2 . . . . 32 ILE HG12 . 17745 1 278 . 1 1 32 32 ILE HG13 H 1 1.81 0.03 . 2 . . . . 32 ILE HG13 . 17745 1 279 . 1 1 32 32 ILE HG21 H 1 1.37 0.03 . 1 . . . . 32 ILE MG . 17745 1 280 . 1 1 32 32 ILE HG22 H 1 1.37 0.03 . 1 . . . . 32 ILE MG . 17745 1 281 . 1 1 32 32 ILE HG23 H 1 1.37 0.03 . 1 . . . . 32 ILE MG . 17745 1 282 . 1 1 32 32 ILE HD11 H 1 0.43 0.03 . 1 . . . . 32 ILE MD . 17745 1 283 . 1 1 32 32 ILE HD12 H 1 0.43 0.03 . 1 . . . . 32 ILE MD . 17745 1 284 . 1 1 32 32 ILE HD13 H 1 0.43 0.03 . 1 . . . . 32 ILE MD . 17745 1 285 . 1 1 32 32 ILE C C 13 174.00 0.20 . 1 . . . . 32 ILE C . 17745 1 286 . 1 1 32 32 ILE CA C 13 61.45 0.20 . 1 . . . . 32 ILE CA . 17745 1 287 . 1 1 32 32 ILE CB C 13 42.83 0.20 . 1 . . . . 32 ILE CB . 17745 1 288 . 1 1 32 32 ILE CG1 C 13 31.50 0.20 . 1 . . . . 32 ILE CG1 . 17745 1 289 . 1 1 32 32 ILE CG2 C 13 23.80 0.20 . 1 . . . . 32 ILE CG2 . 17745 1 290 . 1 1 32 32 ILE CD1 C 13 15.94 0.20 . 1 . . . . 32 ILE CD1 . 17745 1 291 . 1 1 32 32 ILE N N 15 122.78 0.20 . 1 . . . . 32 ILE N . 17745 1 292 . 1 1 33 33 VAL H H 1 9.73 0.03 . 1 . . . . 33 VAL H . 17745 1 293 . 1 1 33 33 VAL HA H 1 4.68 0.03 . 1 . . . . 33 VAL HA . 17745 1 294 . 1 1 33 33 VAL HB H 1 2.52 0.03 . 1 . . . . 33 VAL HB . 17745 1 295 . 1 1 33 33 VAL HG11 H 1 1.23 0.03 . 2 . . . . 33 VAL MG1 . 17745 1 296 . 1 1 33 33 VAL HG12 H 1 1.23 0.03 . 2 . . . . 33 VAL MG1 . 17745 1 297 . 1 1 33 33 VAL HG13 H 1 1.23 0.03 . 2 . . . . 33 VAL MG1 . 17745 1 298 . 1 1 33 33 VAL HG21 H 1 1.05 0.03 . 2 . . . . 33 VAL MG2 . 17745 1 299 . 1 1 33 33 VAL HG22 H 1 1.05 0.03 . 2 . . . . 33 VAL MG2 . 17745 1 300 . 1 1 33 33 VAL HG23 H 1 1.05 0.03 . 2 . . . . 33 VAL MG2 . 17745 1 301 . 1 1 33 33 VAL C C 13 174.69 0.20 . 1 . . . . 33 VAL C . 17745 1 302 . 1 1 33 33 VAL CA C 13 61.34 0.20 . 1 . . . . 33 VAL CA . 17745 1 303 . 1 1 33 33 VAL CB C 13 36.52 0.20 . 1 . . . . 33 VAL CB . 17745 1 304 . 1 1 33 33 VAL CG1 C 13 21.84 0.20 . 2 . . . . 33 VAL CG1 . 17745 1 305 . 1 1 33 33 VAL CG2 C 13 21.84 0.20 . 2 . . . . 33 VAL CG2 . 17745 1 306 . 1 1 33 33 VAL N N 15 127.74 0.20 . 1 . . . . 33 VAL N . 17745 1 307 . 1 1 34 34 HIS H H 1 9.16 0.03 . 1 . . . . 34 HIS H . 17745 1 308 . 1 1 34 34 HIS HA H 1 4.80 0.03 . 1 . . . . 34 HIS HA . 17745 1 309 . 1 1 34 34 HIS HB2 H 1 3.11 0.03 . 2 . . . . 34 HIS HB2 . 17745 1 310 . 1 1 34 34 HIS HB3 H 1 3.25 0.03 . 2 . . . . 34 HIS HB3 . 17745 1 311 . 1 1 34 34 HIS HD2 H 1 7.10 0.03 . 1 . . . . 34 HIS HD2 . 17745 1 312 . 1 1 34 34 HIS HE1 H 1 7.62 0.03 . 1 . . . . 34 HIS HE1 . 17745 1 313 . 1 1 34 34 HIS C C 13 172.68 0.20 . 1 . . . . 34 HIS C . 17745 1 314 . 1 1 34 34 HIS CA C 13 52.92 0.20 . 1 . . . . 34 HIS CA . 17745 1 315 . 1 1 34 34 HIS CB C 13 34.82 0.20 . 1 . . . . 34 HIS CB . 17745 1 316 . 1 1 34 34 HIS CD2 C 13 120.29 0.20 . 1 . . . . 34 HIS CD2 . 17745 1 317 . 1 1 34 34 HIS N N 15 128.26 0.20 . 1 . . . . 34 HIS N . 17745 1 318 . 1 1 35 35 ALA H H 1 9.99 0.03 . 1 . . . . 35 ALA H . 17745 1 319 . 1 1 35 35 ALA HA H 1 5.37 0.03 . 1 . . . . 35 ALA HA . 17745 1 320 . 1 1 35 35 ALA HB1 H 1 1.37 0.03 . 1 . . . . 35 ALA MB . 17745 1 321 . 1 1 35 35 ALA HB2 H 1 1.37 0.03 . 1 . . . . 35 ALA MB . 17745 1 322 . 1 1 35 35 ALA HB3 H 1 1.37 0.03 . 1 . . . . 35 ALA MB . 17745 1 323 . 1 1 35 35 ALA C C 13 175.05 0.20 . 1 . . . . 35 ALA C . 17745 1 324 . 1 1 35 35 ALA CA C 13 49.91 0.20 . 1 . . . . 35 ALA CA . 17745 1 325 . 1 1 35 35 ALA CB C 13 24.04 0.20 . 1 . . . . 35 ALA CB . 17745 1 326 . 1 1 35 35 ALA N N 15 132.14 0.20 . 1 . . . . 35 ALA N . 17745 1 327 . 1 1 36 36 THR H H 1 8.24 0.03 . 1 . . . . 36 THR H . 17745 1 328 . 1 1 36 36 THR HA H 1 4.66 0.03 . 1 . . . . 36 THR HA . 17745 1 329 . 1 1 36 36 THR HB H 1 4.18 0.03 . 1 . . . . 36 THR HB . 17745 1 330 . 1 1 36 36 THR HG21 H 1 1.12 0.03 . 1 . . . . 36 THR MG . 17745 1 331 . 1 1 36 36 THR HG22 H 1 1.12 0.03 . 1 . . . . 36 THR MG . 17745 1 332 . 1 1 36 36 THR HG23 H 1 1.12 0.03 . 1 . . . . 36 THR MG . 17745 1 333 . 1 1 36 36 THR C C 13 171.07 0.20 . 1 . . . . 36 THR C . 17745 1 334 . 1 1 36 36 THR CA C 13 60.01 0.20 . 1 . . . . 36 THR CA . 17745 1 335 . 1 1 36 36 THR CB C 13 70.94 0.20 . 1 . . . . 36 THR CB . 17745 1 336 . 1 1 36 36 THR CG2 C 13 20.81 0.02 . 1 . . . . 36 THR CG2 . 17745 1 337 . 1 1 36 36 THR N N 15 110.77 0.20 . 1 . . . . 36 THR N . 17745 1 338 . 1 1 37 37 TYR H H 1 8.73 0.03 . 1 . . . . 37 TYR H . 17745 1 339 . 1 1 37 37 TYR HA H 1 4.39 0.03 . 1 . . . . 37 TYR HA . 17745 1 340 . 1 1 37 37 TYR HB2 H 1 2.55 0.03 . 2 . . . . 37 TYR HB2 . 17745 1 341 . 1 1 37 37 TYR HB3 H 1 3.02 0.03 . 2 . . . . 37 TYR HB3 . 17745 1 342 . 1 1 37 37 TYR HD1 H 1 7.14 0.03 . 1 . . . . 37 TYR HD1 . 17745 1 343 . 1 1 37 37 TYR HD2 H 1 7.14 0.03 . 1 . . . . 37 TYR HD2 . 17745 1 344 . 1 1 37 37 TYR HE1 H 1 6.88 0.03 . 1 . . . . 37 TYR HE1 . 17745 1 345 . 1 1 37 37 TYR HE2 H 1 6.88 0.03 . 1 . . . . 37 TYR HE2 . 17745 1 346 . 1 1 37 37 TYR C C 13 174.77 0.20 . 1 . . . . 37 TYR C . 17745 1 347 . 1 1 37 37 TYR CA C 13 57.48 0.20 . 1 . . . . 37 TYR CA . 17745 1 348 . 1 1 37 37 TYR CB C 13 38.80 0.20 . 1 . . . . 37 TYR CB . 17745 1 349 . 1 1 37 37 TYR N N 15 121.81 0.20 . 1 . . . . 37 TYR N . 17745 1 350 . 1 1 38 38 LYS H H 1 8.18 0.03 . 1 . . . . 38 LYS H . 17745 1 351 . 1 1 38 38 LYS HA H 1 4.86 0.03 . 1 . . . . 38 LYS HA . 17745 1 352 . 1 1 38 38 LYS HB2 H 1 1.72 0.03 . 2 . . . . 38 LYS HB2 . 17745 1 353 . 1 1 38 38 LYS HB3 H 1 1.90 0.03 . 2 . . . . 38 LYS HB3 . 17745 1 354 . 1 1 38 38 LYS HG2 H 1 1.37 0.03 . 2 . . . . 38 LYS HG2 . 17745 1 355 . 1 1 38 38 LYS HG3 H 1 1.54 0.03 . 2 . . . . 38 LYS HG3 . 17745 1 356 . 1 1 38 38 LYS HD2 H 1 1.72 0.03 . 2 . . . . 38 LYS HD2 . 17745 1 357 . 1 1 38 38 LYS HD3 H 1 1.79 0.03 . 2 . . . . 38 LYS HD3 . 17745 1 358 . 1 1 38 38 LYS HE2 H 1 3.06 0.03 . 2 . . . . 38 LYS HE2 . 17745 1 359 . 1 1 38 38 LYS HE3 H 1 3.06 0.03 . 2 . . . . 38 LYS HE3 . 17745 1 360 . 1 1 38 38 LYS CA C 13 53.14 0.20 . 1 . . . . 38 LYS CA . 17745 1 361 . 1 1 38 38 LYS CB C 13 33.88 0.20 . 1 . . . . 38 LYS CB . 17745 1 362 . 1 1 38 38 LYS CG C 13 24.20 0.20 . 1 . . . . 38 LYS CG . 17745 1 363 . 1 1 38 38 LYS CD C 13 29.24 0.20 . 1 . . . . 38 LYS CD . 17745 1 364 . 1 1 38 38 LYS CE C 13 42.01 0.20 . 1 . . . . 38 LYS CE . 17745 1 365 . 1 1 38 38 LYS N N 15 121.67 0.20 . 1 . . . . 38 LYS N . 17745 1 366 . 1 1 39 39 PRO HA H 1 4.56 0.03 . 1 . . . . 39 PRO HA . 17745 1 367 . 1 1 39 39 PRO HB2 H 1 2.18 0.03 . 2 . . . . 39 PRO HB2 . 17745 1 368 . 1 1 39 39 PRO HB3 H 1 2.32 0.03 . 2 . . . . 39 PRO HB3 . 17745 1 369 . 1 1 39 39 PRO HG2 H 1 1.91 0.03 . 2 . . . . 39 PRO HG2 . 17745 1 370 . 1 1 39 39 PRO HG3 H 1 2.07 0.03 . 2 . . . . 39 PRO HG3 . 17745 1 371 . 1 1 39 39 PRO HD2 H 1 3.77 0.03 . 2 . . . . 39 PRO HD2 . 17745 1 372 . 1 1 39 39 PRO HD3 H 1 3.77 0.03 . 2 . . . . 39 PRO HD3 . 17745 1 373 . 1 1 39 39 PRO C C 13 176.65 0.20 . 1 . . . . 39 PRO C . 17745 1 374 . 1 1 39 39 PRO CA C 13 64.52 0.20 . 1 . . . . 39 PRO CA . 17745 1 375 . 1 1 39 39 PRO CB C 13 34.09 0.20 . 1 . . . . 39 PRO CB . 17745 1 376 . 1 1 39 39 PRO CG C 13 24.23 0.20 . 1 . . . . 39 PRO CG . 17745 1 377 . 1 1 39 39 PRO CD C 13 50.46 0.20 . 1 . . . . 39 PRO CD . 17745 1 378 . 1 1 40 40 GLU H H 1 7.61 0.03 . 1 . . . . 40 GLU H . 17745 1 379 . 1 1 40 40 GLU HA H 1 4.61 0.03 . 1 . . . . 40 GLU HA . 17745 1 380 . 1 1 40 40 GLU HB2 H 1 1.94 0.03 . 2 . . . . 40 GLU HB2 . 17745 1 381 . 1 1 40 40 GLU HB3 H 1 2.16 0.03 . 2 . . . . 40 GLU HB3 . 17745 1 382 . 1 1 40 40 GLU HG2 H 1 2.20 0.03 . 2 . . . . 40 GLU HG2 . 17745 1 383 . 1 1 40 40 GLU HG3 H 1 2.20 0.03 . 2 . . . . 40 GLU HG3 . 17745 1 384 . 1 1 40 40 GLU C C 13 174.39 0.20 . 1 . . . . 40 GLU C . 17745 1 385 . 1 1 40 40 GLU CA C 13 54.48 0.20 . 1 . . . . 40 GLU CA . 17745 1 386 . 1 1 40 40 GLU CB C 13 32.04 0.20 . 1 . . . . 40 GLU CB . 17745 1 387 . 1 1 40 40 GLU CG C 13 35.82 0.20 . 1 . . . . 40 GLU CG . 17745 1 388 . 1 1 40 40 GLU N N 15 119.37 0.20 . 1 . . . . 40 GLU N . 17745 1 389 . 1 1 41 41 TYR H H 1 8.60 0.03 . 1 . . . . 41 TYR H . 17745 1 390 . 1 1 41 41 TYR HA H 1 3.97 0.03 . 1 . . . . 41 TYR HA . 17745 1 391 . 1 1 41 41 TYR HB2 H 1 2.58 0.03 . 2 . . . . 41 TYR HB2 . 17745 1 392 . 1 1 41 41 TYR HB3 H 1 2.97 0.03 . 2 . . . . 41 TYR HB3 . 17745 1 393 . 1 1 41 41 TYR HD1 H 1 6.56 0.03 . 1 . . . . 41 TYR HD1 . 17745 1 394 . 1 1 41 41 TYR HD2 H 1 6.56 0.03 . 1 . . . . 41 TYR HD2 . 17745 1 395 . 1 1 41 41 TYR HE1 H 1 6.38 0.03 . 1 . . . . 41 TYR HE1 . 17745 1 396 . 1 1 41 41 TYR HE2 H 1 6.38 0.03 . 1 . . . . 41 TYR HE2 . 17745 1 397 . 1 1 41 41 TYR C C 13 175.45 0.20 . 1 . . . . 41 TYR C . 17745 1 398 . 1 1 41 41 TYR CA C 13 58.91 0.20 . 1 . . . . 41 TYR CA . 17745 1 399 . 1 1 41 41 TYR CB C 13 38.36 0.20 . 1 . . . . 41 TYR CB . 17745 1 400 . 1 1 41 41 TYR N N 15 121.75 0.20 . 1 . . . . 41 TYR N . 17745 1 401 . 1 1 42 42 GLN H H 1 8.06 0.03 . 1 . . . . 42 GLN H . 17745 1 402 . 1 1 42 42 GLN HA H 1 3.98 0.03 . 1 . . . . 42 GLN HA . 17745 1 403 . 1 1 42 42 GLN HB2 H 1 1.68 0.03 . 2 . . . . 42 GLN HB2 . 17745 1 404 . 1 1 42 42 GLN HB3 H 1 1.68 0.03 . 2 . . . . 42 GLN HB3 . 17745 1 405 . 1 1 42 42 GLN HG2 H 1 2.02 0.03 . 2 . . . . 42 GLN HG2 . 17745 1 406 . 1 1 42 42 GLN HG3 H 1 2.05 0.03 . 2 . . . . 42 GLN HG3 . 17745 1 407 . 1 1 42 42 GLN C C 13 173.41 0.20 . 1 . . . . 42 GLN C . 17745 1 408 . 1 1 42 42 GLN CA C 13 54.31 0.20 . 1 . . . . 42 GLN CA . 17745 1 409 . 1 1 42 42 GLN CB C 13 32.09 0.20 . 1 . . . . 42 GLN CB . 17745 1 410 . 1 1 42 42 GLN CG C 13 33.35 0.20 . 1 . . . . 42 GLN CG . 17745 1 411 . 1 1 42 42 GLN N N 15 127.72 0.20 . 1 . . . . 42 GLN N . 17745 1 412 . 1 1 43 43 VAL H H 1 8.29 0.03 . 1 . . . . 43 VAL H . 17745 1 413 . 1 1 43 43 VAL HA H 1 3.57 0.03 . 1 . . . . 43 VAL HA . 17745 1 414 . 1 1 43 43 VAL HB H 1 1.72 0.03 . 1 . . . . 43 VAL HB . 17745 1 415 . 1 1 43 43 VAL HG11 H 1 0.69 0.03 . 2 . . . . 43 VAL MG1 . 17745 1 416 . 1 1 43 43 VAL HG12 H 1 0.69 0.03 . 2 . . . . 43 VAL MG1 . 17745 1 417 . 1 1 43 43 VAL HG13 H 1 0.69 0.03 . 2 . . . . 43 VAL MG1 . 17745 1 418 . 1 1 43 43 VAL HG21 H 1 0.73 0.03 . 2 . . . . 43 VAL MG2 . 17745 1 419 . 1 1 43 43 VAL HG22 H 1 0.73 0.03 . 2 . . . . 43 VAL MG2 . 17745 1 420 . 1 1 43 43 VAL HG23 H 1 0.73 0.03 . 2 . . . . 43 VAL MG2 . 17745 1 421 . 1 1 43 43 VAL C C 13 176.10 0.20 . 1 . . . . 43 VAL C . 17745 1 422 . 1 1 43 43 VAL CA C 13 63.57 0.20 . 1 . . . . 43 VAL CA . 17745 1 423 . 1 1 43 43 VAL CB C 13 31.99 0.20 . 1 . . . . 43 VAL CB . 17745 1 424 . 1 1 43 43 VAL CG1 C 13 21.80 0.20 . 2 . . . . 43 VAL CG1 . 17745 1 425 . 1 1 43 43 VAL CG2 C 13 21.80 0.20 . 2 . . . . 43 VAL CG2 . 17745 1 426 . 1 1 43 43 VAL N N 15 123.73 0.20 . 1 . . . . 43 VAL N . 17745 1 427 . 1 1 44 44 LEU H H 1 9.29 0.03 . 1 . . . . 44 LEU H . 17745 1 428 . 1 1 44 44 LEU HA H 1 4.19 0.03 . 1 . . . . 44 LEU HA . 17745 1 429 . 1 1 44 44 LEU HB2 H 1 0.68 0.03 . 2 . . . . 44 LEU HB2 . 17745 1 430 . 1 1 44 44 LEU HB3 H 1 1.01 0.03 . 2 . . . . 44 LEU HB3 . 17745 1 431 . 1 1 44 44 LEU HG H 1 1.18 0.03 . 1 . . . . 44 LEU HG . 17745 1 432 . 1 1 44 44 LEU HD11 H 1 0.39 0.03 . 2 . . . . 44 LEU MD1 . 17745 1 433 . 1 1 44 44 LEU HD12 H 1 0.39 0.03 . 2 . . . . 44 LEU MD1 . 17745 1 434 . 1 1 44 44 LEU HD13 H 1 0.39 0.03 . 2 . . . . 44 LEU MD1 . 17745 1 435 . 1 1 44 44 LEU HD21 H 1 0.55 0.03 . 2 . . . . 44 LEU MD2 . 17745 1 436 . 1 1 44 44 LEU HD22 H 1 0.55 0.03 . 2 . . . . 44 LEU MD2 . 17745 1 437 . 1 1 44 44 LEU HD23 H 1 0.55 0.03 . 2 . . . . 44 LEU MD2 . 17745 1 438 . 1 1 44 44 LEU C C 13 177.20 0.20 . 1 . . . . 44 LEU C . 17745 1 439 . 1 1 44 44 LEU CA C 13 55.69 0.20 . 1 . . . . 44 LEU CA . 17745 1 440 . 1 1 44 44 LEU CB C 13 42.49 0.20 . 1 . . . . 44 LEU CB . 17745 1 441 . 1 1 44 44 LEU CG C 13 27.06 0.20 . 1 . . . . 44 LEU CG . 17745 1 442 . 1 1 44 44 LEU CD1 C 13 24.67 0.20 . 2 . . . . 44 LEU CD1 . 17745 1 443 . 1 1 44 44 LEU CD2 C 13 22.42 0.20 . 2 . . . . 44 LEU CD2 . 17745 1 444 . 1 1 44 44 LEU N N 15 129.84 0.20 . 1 . . . . 44 LEU N . 17745 1 445 . 1 1 45 45 ASN H H 1 7.97 0.03 . 1 . . . . 45 ASN H . 17745 1 446 . 1 1 45 45 ASN HA H 1 4.58 0.03 . 1 . . . . 45 ASN HA . 17745 1 447 . 1 1 45 45 ASN HB2 H 1 1.67 0.03 . 2 . . . . 45 ASN HB2 . 17745 1 448 . 1 1 45 45 ASN HB3 H 1 2.45 0.03 . 2 . . . . 45 ASN HB3 . 17745 1 449 . 1 1 45 45 ASN C C 13 172.31 0.20 . 1 . . . . 45 ASN C . 17745 1 450 . 1 1 45 45 ASN CA C 13 52.07 0.20 . 1 . . . . 45 ASN CA . 17745 1 451 . 1 1 45 45 ASN CB C 13 44.08 0.20 . 1 . . . . 45 ASN CB . 17745 1 452 . 1 1 45 45 ASN N N 15 114.93 0.20 . 1 . . . . 45 ASN N . 17745 1 453 . 1 1 46 46 GLN H H 1 7.92 0.03 . 1 . . . . 46 GLN H . 17745 1 454 . 1 1 46 46 GLN HA H 1 5.17 0.03 . 1 . . . . 46 GLN HA . 17745 1 455 . 1 1 46 46 GLN HB2 H 1 1.94 0.03 . 2 . . . . 46 GLN HB2 . 17745 1 456 . 1 1 46 46 GLN HB3 H 1 1.94 0.03 . 2 . . . . 46 GLN HB3 . 17745 1 457 . 1 1 46 46 GLN HG2 H 1 2.03 0.03 . 2 . . . . 46 GLN HG2 . 17745 1 458 . 1 1 46 46 GLN HG3 H 1 2.03 0.03 . 2 . . . . 46 GLN HG3 . 17745 1 459 . 1 1 46 46 GLN C C 13 173.28 0.20 . 1 . . . . 46 GLN C . 17745 1 460 . 1 1 46 46 GLN CA C 13 54.54 0.20 . 1 . . . . 46 GLN CA . 17745 1 461 . 1 1 46 46 GLN CB C 13 31.70 0.20 . 1 . . . . 46 GLN CB . 17745 1 462 . 1 1 46 46 GLN CG C 13 33.13 0.20 . 1 . . . . 46 GLN CG . 17745 1 463 . 1 1 46 46 GLN N N 15 116.02 0.20 . 1 . . . . 46 GLN N . 17745 1 464 . 1 1 47 47 TRP H H 1 9.53 0.03 . 1 . . . . 47 TRP H . 17745 1 465 . 1 1 47 47 TRP HA H 1 4.92 0.03 . 1 . . . . 47 TRP HA . 17745 1 466 . 1 1 47 47 TRP HB2 H 1 2.94 0.03 . 2 . . . . 47 TRP HB2 . 17745 1 467 . 1 1 47 47 TRP HB3 H 1 2.94 0.03 . 2 . . . . 47 TRP HB3 . 17745 1 468 . 1 1 47 47 TRP HD1 H 1 7.48 0.03 . 1 . . . . 47 TRP HD1 . 17745 1 469 . 1 1 47 47 TRP HE1 H 1 10.37 0.03 . 1 . . . . 47 TRP HE1 . 17745 1 470 . 1 1 47 47 TRP HE3 H 1 7.61 0.03 . 1 . . . . 47 TRP HE3 . 17745 1 471 . 1 1 47 47 TRP HZ2 H 1 7.62 0.03 . 1 . . . . 47 TRP HZ2 . 17745 1 472 . 1 1 47 47 TRP HZ3 H 1 7.09 0.03 . 1 . . . . 47 TRP HZ3 . 17745 1 473 . 1 1 47 47 TRP HH2 H 1 7.88 0.03 . 1 . . . . 47 TRP HH2 . 17745 1 474 . 1 1 47 47 TRP C C 13 173.79 0.20 . 1 . . . . 47 TRP C . 17745 1 475 . 1 1 47 47 TRP CA C 13 58.75 0.20 . 1 . . . . 47 TRP CA . 17745 1 476 . 1 1 47 47 TRP CB C 13 33.97 0.20 . 1 . . . . 47 TRP CB . 17745 1 477 . 1 1 47 47 TRP N N 15 120.10 0.20 . 1 . . . . 47 TRP N . 17745 1 478 . 1 1 47 47 TRP NE1 N 15 129.60 0.20 . 1 . . . . 47 TRP NE1 . 17745 1 479 . 1 1 48 48 SER H H 1 8.56 0.03 . 1 . . . . 48 SER H . 17745 1 480 . 1 1 48 48 SER HA H 1 4.95 0.03 . 1 . . . . 48 SER HA . 17745 1 481 . 1 1 48 48 SER HB2 H 1 3.75 0.03 . 2 . . . . 48 SER HB2 . 17745 1 482 . 1 1 48 48 SER HB3 H 1 3.75 0.03 . 2 . . . . 48 SER HB3 . 17745 1 483 . 1 1 48 48 SER C C 13 174.38 0.20 . 1 . . . . 48 SER C . 17745 1 484 . 1 1 48 48 SER CA C 13 56.29 0.20 . 1 . . . . 48 SER CA . 17745 1 485 . 1 1 48 48 SER CB C 13 63.78 0.20 . 1 . . . . 48 SER CB . 17745 1 486 . 1 1 48 48 SER N N 15 117.22 0.20 . 1 . . . . 48 SER N . 17745 1 487 . 1 1 49 49 ILE H H 1 8.93 0.03 . 1 . . . . 49 ILE H . 17745 1 488 . 1 1 49 49 ILE HA H 1 4.89 0.03 . 1 . . . . 49 ILE HA . 17745 1 489 . 1 1 49 49 ILE HB H 1 1.52 0.03 . 1 . . . . 49 ILE HB . 17745 1 490 . 1 1 49 49 ILE HG12 H 1 1.23 0.03 . 2 . . . . 49 ILE HG12 . 17745 1 491 . 1 1 49 49 ILE HG13 H 1 1.04 0.03 . 2 . . . . 49 ILE HG13 . 17745 1 492 . 1 1 49 49 ILE HG21 H 1 0.85 0.03 . 1 . . . . 49 ILE MG . 17745 1 493 . 1 1 49 49 ILE HG22 H 1 0.85 0.03 . 1 . . . . 49 ILE MG . 17745 1 494 . 1 1 49 49 ILE HG23 H 1 0.85 0.03 . 1 . . . . 49 ILE MG . 17745 1 495 . 1 1 49 49 ILE HD11 H 1 0.44 0.03 . 1 . . . . 49 ILE MD . 17745 1 496 . 1 1 49 49 ILE HD12 H 1 0.44 0.03 . 1 . . . . 49 ILE MD . 17745 1 497 . 1 1 49 49 ILE HD13 H 1 0.44 0.03 . 1 . . . . 49 ILE MD . 17745 1 498 . 1 1 49 49 ILE CA C 13 57.72 0.20 . 1 . . . . 49 ILE CA . 17745 1 499 . 1 1 49 49 ILE CB C 13 41.76 0.20 . 1 . . . . 49 ILE CB . 17745 1 500 . 1 1 49 49 ILE CG1 C 13 27.46 0.20 . 1 . . . . 49 ILE CG1 . 17745 1 501 . 1 1 49 49 ILE CG2 C 13 16.52 0.20 . 1 . . . . 49 ILE CG2 . 17745 1 502 . 1 1 49 49 ILE CD1 C 13 13.78 0.20 . 1 . . . . 49 ILE CD1 . 17745 1 503 . 1 1 49 49 ILE N N 15 128.09 0.20 . 1 . . . . 49 ILE N . 17745 1 504 . 1 1 50 50 PRO HA H 1 4.66 0.03 . 1 . . . . 50 PRO HA . 17745 1 505 . 1 1 50 50 PRO HB2 H 1 2.02 0.03 . 2 . . . . 50 PRO HB2 . 17745 1 506 . 1 1 50 50 PRO HB3 H 1 2.65 0.03 . 2 . . . . 50 PRO HB3 . 17745 1 507 . 1 1 50 50 PRO HG2 H 1 2.21 0.03 . 2 . . . . 50 PRO HG2 . 17745 1 508 . 1 1 50 50 PRO HG3 H 1 2.21 0.03 . 2 . . . . 50 PRO HG3 . 17745 1 509 . 1 1 50 50 PRO HD2 H 1 3.95 0.03 . 2 . . . . 50 PRO HD2 . 17745 1 510 . 1 1 50 50 PRO HD3 H 1 3.95 0.03 . 2 . . . . 50 PRO HD3 . 17745 1 511 . 1 1 50 50 PRO CA C 13 62.83 0.20 . 1 . . . . 50 PRO CA . 17745 1 512 . 1 1 50 50 PRO CB C 13 32.71 0.20 . 1 . . . . 50 PRO CB . 17745 1 513 . 1 1 50 50 PRO CG C 13 27.29 0.20 . 1 . . . . 50 PRO CG . 17745 1 514 . 1 1 50 50 PRO CD C 13 51.93 0.20 . 1 . . . . 50 PRO CD . 17745 1 515 . 1 1 51 51 LEU H H 1 8.54 0.03 . 1 . . . . 51 LEU H . 17745 1 516 . 1 1 51 51 LEU HA H 1 4.53 0.03 . 1 . . . . 51 LEU HA . 17745 1 517 . 1 1 51 51 LEU HB2 H 1 1.12 0.03 . 2 . . . . 51 LEU HB2 . 17745 1 518 . 1 1 51 51 LEU HB3 H 1 1.12 0.03 . 2 . . . . 51 LEU HB3 . 17745 1 519 . 1 1 51 51 LEU HD11 H 1 0.65 0.03 . 2 . . . . 51 LEU MD1 . 17745 1 520 . 1 1 51 51 LEU HD12 H 1 0.65 0.03 . 2 . . . . 51 LEU MD1 . 17745 1 521 . 1 1 51 51 LEU HD13 H 1 0.65 0.03 . 2 . . . . 51 LEU MD1 . 17745 1 522 . 1 1 51 51 LEU HD21 H 1 0.65 0.03 . 2 . . . . 51 LEU MD2 . 17745 1 523 . 1 1 51 51 LEU HD22 H 1 0.65 0.03 . 2 . . . . 51 LEU MD2 . 17745 1 524 . 1 1 51 51 LEU HD23 H 1 0.65 0.03 . 2 . . . . 51 LEU MD2 . 17745 1 525 . 1 1 51 51 LEU C C 13 176.70 0.20 . 1 . . . . 51 LEU C . 17745 1 526 . 1 1 51 51 LEU CA C 13 53.04 0.20 . 1 . . . . 51 LEU CA . 17745 1 527 . 1 1 51 51 LEU CB C 13 45.09 0.20 . 1 . . . . 51 LEU CB . 17745 1 528 . 1 1 51 51 LEU CD1 C 13 26.00 0.20 . 2 . . . . 51 LEU CD1 . 17745 1 529 . 1 1 51 51 LEU CD2 C 13 22.02 0.20 . 2 . . . . 51 LEU CD2 . 17745 1 530 . 1 1 51 51 LEU N N 15 122.02 0.20 . 1 . . . . 51 LEU N . 17745 1 531 . 1 1 53 53 ASN HA H 1 4.89 0.03 . 1 . . . . 53 ASN HA . 17745 1 532 . 1 1 53 53 ASN HB2 H 1 2.72 0.03 . 2 . . . . 53 ASN HB2 . 17745 1 533 . 1 1 53 53 ASN HB3 H 1 2.98 0.03 . 2 . . . . 53 ASN HB3 . 17745 1 534 . 1 1 53 53 ASN C C 13 174.34 0.20 . 1 . . . . 53 ASN C . 17745 1 535 . 1 1 53 53 ASN CA C 13 53.51 0.20 . 1 . . . . 53 ASN CA . 17745 1 536 . 1 1 53 53 ASN CB C 13 37.25 0.20 . 1 . . . . 53 ASN CB . 17745 1 537 . 1 1 54 54 HIS H H 1 7.89 0.03 . 1 . . . . 54 HIS H . 17745 1 538 . 1 1 54 54 HIS HA H 1 4.90 0.03 . 1 . . . . 54 HIS HA . 17745 1 539 . 1 1 54 54 HIS HB2 H 1 2.51 0.03 . 2 . . . . 54 HIS HB2 . 17745 1 540 . 1 1 54 54 HIS HB3 H 1 3.18 0.03 . 2 . . . . 54 HIS HB3 . 17745 1 541 . 1 1 54 54 HIS HD2 H 1 6.66 0.03 . 1 . . . . 54 HIS HD2 . 17745 1 542 . 1 1 54 54 HIS C C 13 173.93 0.20 . 1 . . . . 54 HIS C . 17745 1 543 . 1 1 54 54 HIS CA C 13 55.24 0.20 . 1 . . . . 54 HIS CA . 17745 1 544 . 1 1 54 54 HIS CB C 13 34.31 0.20 . 1 . . . . 54 HIS CB . 17745 1 545 . 1 1 54 54 HIS N N 15 121.83 0.20 . 1 . . . . 54 HIS N . 17745 1 546 . 1 1 55 55 THR H H 1 7.79 0.03 . 1 . . . . 55 THR H . 17745 1 547 . 1 1 55 55 THR HA H 1 4.31 0.03 . 1 . . . . 55 THR HA . 17745 1 548 . 1 1 55 55 THR HB H 1 4.72 0.03 . 1 . . . . 55 THR HB . 17745 1 549 . 1 1 55 55 THR HG21 H 1 1.39 0.03 . 1 . . . . 55 THR MG . 17745 1 550 . 1 1 55 55 THR HG22 H 1 1.39 0.03 . 1 . . . . 55 THR MG . 17745 1 551 . 1 1 55 55 THR HG23 H 1 1.39 0.03 . 1 . . . . 55 THR MG . 17745 1 552 . 1 1 55 55 THR C C 13 175.29 0.20 . 1 . . . . 55 THR C . 17745 1 553 . 1 1 55 55 THR CA C 13 60.39 0.20 . 1 . . . . 55 THR CA . 17745 1 554 . 1 1 55 55 THR CB C 13 71.38 0.20 . 1 . . . . 55 THR CB . 17745 1 555 . 1 1 55 55 THR CG2 C 13 22.28 0.02 . 1 . . . . 55 THR CG2 . 17745 1 556 . 1 1 55 55 THR N N 15 109.10 0.20 . 1 . . . . 55 THR N . 17745 1 557 . 1 1 56 56 ALA H H 1 8.93 0.03 . 1 . . . . 56 ALA H . 17745 1 558 . 1 1 56 56 ALA HA H 1 3.74 0.03 . 1 . . . . 56 ALA HA . 17745 1 559 . 1 1 56 56 ALA HB1 H 1 1.55 0.03 . 1 . . . . 56 ALA MB . 17745 1 560 . 1 1 56 56 ALA HB2 H 1 1.55 0.03 . 1 . . . . 56 ALA MB . 17745 1 561 . 1 1 56 56 ALA HB3 H 1 1.55 0.03 . 1 . . . . 56 ALA MB . 17745 1 562 . 1 1 56 56 ALA C C 13 179.00 0.20 . 1 . . . . 56 ALA C . 17745 1 563 . 1 1 56 56 ALA CA C 13 55.93 0.20 . 1 . . . . 56 ALA CA . 17745 1 564 . 1 1 56 56 ALA CB C 13 18.07 0.20 . 1 . . . . 56 ALA CB . 17745 1 565 . 1 1 56 56 ALA N N 15 122.16 0.20 . 1 . . . . 56 ALA N . 17745 1 566 . 1 1 57 57 GLN H H 1 8.31 0.03 . 1 . . . . 57 GLN H . 17745 1 567 . 1 1 57 57 GLN HA H 1 4.07 0.03 . 1 . . . . 57 GLN HA . 17745 1 568 . 1 1 57 57 GLN HB2 H 1 2.03 0.03 . 2 . . . . 57 GLN HB2 . 17745 1 569 . 1 1 57 57 GLN HB3 H 1 2.10 0.03 . 2 . . . . 57 GLN HB3 . 17745 1 570 . 1 1 57 57 GLN HG2 H 1 2.43 0.03 . 2 . . . . 57 GLN HG2 . 17745 1 571 . 1 1 57 57 GLN HG3 H 1 2.43 0.03 . 2 . . . . 57 GLN HG3 . 17745 1 572 . 1 1 57 57 GLN C C 13 178.64 0.20 . 1 . . . . 57 GLN C . 17745 1 573 . 1 1 57 57 GLN CA C 13 59.67 0.20 . 1 . . . . 57 GLN CA . 17745 1 574 . 1 1 57 57 GLN CB C 13 30.10 0.20 . 1 . . . . 57 GLN CB . 17745 1 575 . 1 1 57 57 GLN CG C 13 35.61 0.20 . 1 . . . . 57 GLN CG . 17745 1 576 . 1 1 57 57 GLN N N 15 115.47 0.20 . 1 . . . . 57 GLN N . 17745 1 577 . 1 1 58 58 MET H H 1 7.61 0.03 . 1 . . . . 58 MET H . 17745 1 578 . 1 1 58 58 MET HA H 1 3.47 0.03 . 1 . . . . 58 MET HA . 17745 1 579 . 1 1 58 58 MET HB2 H 1 2.20 0.03 . 2 . . . . 58 MET HB2 . 17745 1 580 . 1 1 58 58 MET HB3 H 1 2.20 0.03 . 2 . . . . 58 MET HB3 . 17745 1 581 . 1 1 58 58 MET HG2 H 1 2.38 0.03 . 2 . . . . 58 MET HG2 . 17745 1 582 . 1 1 58 58 MET HG3 H 1 2.54 0.03 . 2 . . . . 58 MET HG3 . 17745 1 583 . 1 1 58 58 MET HE1 H 1 1.69 0.03 . 1 . . . . 58 MET ME . 17745 1 584 . 1 1 58 58 MET HE2 H 1 1.69 0.03 . 1 . . . . 58 MET ME . 17745 1 585 . 1 1 58 58 MET HE3 H 1 1.69 0.03 . 1 . . . . 58 MET ME . 17745 1 586 . 1 1 58 58 MET C C 13 178.29 0.20 . 1 . . . . 58 MET C . 17745 1 587 . 1 1 58 58 MET CA C 13 59.01 0.20 . 1 . . . . 58 MET CA . 17745 1 588 . 1 1 58 58 MET CB C 13 33.31 0.20 . 1 . . . . 58 MET CB . 17745 1 589 . 1 1 58 58 MET CG C 13 33.31 0.20 . 1 . . . . 58 MET CG . 17745 1 590 . 1 1 58 58 MET CE C 13 17.00 0.20 . 1 . . . . 58 MET CE . 17745 1 591 . 1 1 58 58 MET N N 15 117.24 0.20 . 1 . . . . 58 MET N . 17745 1 592 . 1 1 59 59 ALA H H 1 8.06 0.03 . 1 . . . . 59 ALA H . 17745 1 593 . 1 1 59 59 ALA HA H 1 3.89 0.03 . 1 . . . . 59 ALA HA . 17745 1 594 . 1 1 59 59 ALA HB1 H 1 1.41 0.03 . 1 . . . . 59 ALA MB . 17745 1 595 . 1 1 59 59 ALA HB2 H 1 1.41 0.03 . 1 . . . . 59 ALA MB . 17745 1 596 . 1 1 59 59 ALA HB3 H 1 1.41 0.03 . 1 . . . . 59 ALA MB . 17745 1 597 . 1 1 59 59 ALA C C 13 178.54 0.20 . 1 . . . . 59 ALA C . 17745 1 598 . 1 1 59 59 ALA CA C 13 55.24 0.20 . 1 . . . . 59 ALA CA . 17745 1 599 . 1 1 59 59 ALA CB C 13 18.84 0.20 . 1 . . . . 59 ALA CB . 17745 1 600 . 1 1 59 59 ALA N N 15 122.73 0.20 . 1 . . . . 59 ALA N . 17745 1 601 . 1 1 60 60 GLU H H 1 8.52 0.03 . 1 . . . . 60 GLU H . 17745 1 602 . 1 1 60 60 GLU HA H 1 3.75 0.03 . 1 . . . . 60 GLU HA . 17745 1 603 . 1 1 60 60 GLU HB2 H 1 1.88 0.03 . 2 . . . . 60 GLU HB2 . 17745 1 604 . 1 1 60 60 GLU HB3 H 1 1.88 0.03 . 2 . . . . 60 GLU HB3 . 17745 1 605 . 1 1 60 60 GLU HG2 H 1 2.50 0.03 . 2 . . . . 60 GLU HG2 . 17745 1 606 . 1 1 60 60 GLU HG3 H 1 2.50 0.03 . 2 . . . . 60 GLU HG3 . 17745 1 607 . 1 1 60 60 GLU C C 13 180.34 0.20 . 1 . . . . 60 GLU C . 17745 1 608 . 1 1 60 60 GLU CA C 13 59.54 0.20 . 1 . . . . 60 GLU CA . 17745 1 609 . 1 1 60 60 GLU CB C 13 30.11 0.20 . 1 . . . . 60 GLU CB . 17745 1 610 . 1 1 60 60 GLU CG C 13 35.61 0.20 . 1 . . . . 60 GLU CG . 17745 1 611 . 1 1 60 60 GLU N N 15 117.91 0.20 . 1 . . . . 60 GLU N . 17745 1 612 . 1 1 61 61 ILE H H 1 7.74 0.03 . 1 . . . . 61 ILE H . 17745 1 613 . 1 1 61 61 ILE HA H 1 3.68 0.03 . 1 . . . . 61 ILE HA . 17745 1 614 . 1 1 61 61 ILE HB H 1 1.33 0.03 . 1 . . . . 61 ILE HB . 17745 1 615 . 1 1 61 61 ILE HG12 H 1 1.14 0.03 . 2 . . . . 61 ILE HG12 . 17745 1 616 . 1 1 61 61 ILE HG13 H 1 0.56 0.03 . 2 . . . . 61 ILE HG13 . 17745 1 617 . 1 1 61 61 ILE HG21 H 1 0.38 0.03 . 1 . . . . 61 ILE MG . 17745 1 618 . 1 1 61 61 ILE HG22 H 1 0.38 0.03 . 1 . . . . 61 ILE MG . 17745 1 619 . 1 1 61 61 ILE HG23 H 1 0.38 0.03 . 1 . . . . 61 ILE MG . 17745 1 620 . 1 1 61 61 ILE HD11 H 1 -0.02 0.03 . 1 . . . . 61 ILE MD . 17745 1 621 . 1 1 61 61 ILE HD12 H 1 -0.02 0.03 . 1 . . . . 61 ILE MD . 17745 1 622 . 1 1 61 61 ILE HD13 H 1 -0.02 0.03 . 1 . . . . 61 ILE MD . 17745 1 623 . 1 1 61 61 ILE C C 13 176.80 0.20 . 1 . . . . 61 ILE C . 17745 1 624 . 1 1 61 61 ILE CA C 13 64.47 0.20 . 1 . . . . 61 ILE CA . 17745 1 625 . 1 1 61 61 ILE CB C 13 38.28 0.20 . 1 . . . . 61 ILE CB . 17745 1 626 . 1 1 61 61 ILE CG1 C 13 30.75 0.20 . 1 . . . . 61 ILE CG1 . 17745 1 627 . 1 1 61 61 ILE CG2 C 13 16.19 0.20 . 1 . . . . 61 ILE CG2 . 17745 1 628 . 1 1 61 61 ILE CD1 C 13 14.03 0.20 . 1 . . . . 61 ILE CD1 . 17745 1 629 . 1 1 61 61 ILE N N 15 118.00 0.20 . 1 . . . . 61 ILE N . 17745 1 630 . 1 1 62 62 ALA H H 1 8.56 0.03 . 1 . . . . 62 ALA H . 17745 1 631 . 1 1 62 62 ALA HA H 1 3.86 0.03 . 1 . . . . 62 ALA HA . 17745 1 632 . 1 1 62 62 ALA HB1 H 1 1.50 0.03 . 1 . . . . 62 ALA MB . 17745 1 633 . 1 1 62 62 ALA HB2 H 1 1.50 0.03 . 1 . . . . 62 ALA MB . 17745 1 634 . 1 1 62 62 ALA HB3 H 1 1.50 0.03 . 1 . . . . 62 ALA MB . 17745 1 635 . 1 1 62 62 ALA C C 13 180.30 0.20 . 1 . . . . 62 ALA C . 17745 1 636 . 1 1 62 62 ALA CA C 13 55.18 0.20 . 1 . . . . 62 ALA CA . 17745 1 637 . 1 1 62 62 ALA CB C 13 18.50 0.20 . 1 . . . . 62 ALA CB . 17745 1 638 . 1 1 62 62 ALA N N 15 126.25 0.20 . 1 . . . . 62 ALA N . 17745 1 639 . 1 1 63 63 ALA H H 1 8.14 0.03 . 1 . . . . 63 ALA H . 17745 1 640 . 1 1 63 63 ALA HA H 1 4.40 0.03 . 1 . . . . 63 ALA HA . 17745 1 641 . 1 1 63 63 ALA HB1 H 1 1.46 0.03 . 1 . . . . 63 ALA MB . 17745 1 642 . 1 1 63 63 ALA HB2 H 1 1.46 0.03 . 1 . . . . 63 ALA MB . 17745 1 643 . 1 1 63 63 ALA HB3 H 1 1.46 0.03 . 1 . . . . 63 ALA MB . 17745 1 644 . 1 1 63 63 ALA C C 13 179.08 0.20 . 1 . . . . 63 ALA C . 17745 1 645 . 1 1 63 63 ALA CA C 13 55.15 0.20 . 1 . . . . 63 ALA CA . 17745 1 646 . 1 1 63 63 ALA CB C 13 19.51 0.20 . 1 . . . . 63 ALA CB . 17745 1 647 . 1 1 63 63 ALA N N 15 122.82 0.20 . 1 . . . . 63 ALA N . 17745 1 648 . 1 1 64 64 VAL H H 1 6.89 0.03 . 1 . . . . 64 VAL H . 17745 1 649 . 1 1 64 64 VAL HA H 1 3.58 0.03 . 1 . . . . 64 VAL HA . 17745 1 650 . 1 1 64 64 VAL HB H 1 2.05 0.03 . 1 . . . . 64 VAL HB . 17745 1 651 . 1 1 64 64 VAL HG11 H 1 1.09 0.03 . 2 . . . . 64 VAL MG1 . 17745 1 652 . 1 1 64 64 VAL HG12 H 1 1.09 0.03 . 2 . . . . 64 VAL MG1 . 17745 1 653 . 1 1 64 64 VAL HG13 H 1 1.09 0.03 . 2 . . . . 64 VAL MG1 . 17745 1 654 . 1 1 64 64 VAL HG21 H 1 0.76 0.03 . 2 . . . . 64 VAL MG2 . 17745 1 655 . 1 1 64 64 VAL HG22 H 1 0.76 0.03 . 2 . . . . 64 VAL MG2 . 17745 1 656 . 1 1 64 64 VAL HG23 H 1 0.76 0.03 . 2 . . . . 64 VAL MG2 . 17745 1 657 . 1 1 64 64 VAL C C 13 177.78 0.20 . 1 . . . . 64 VAL C . 17745 1 658 . 1 1 64 64 VAL CA C 13 67.22 0.20 . 1 . . . . 64 VAL CA . 17745 1 659 . 1 1 64 64 VAL CB C 13 31.66 0.20 . 1 . . . . 64 VAL CB . 17745 1 660 . 1 1 64 64 VAL CG1 C 13 24.04 0.20 . 2 . . . . 64 VAL CG1 . 17745 1 661 . 1 1 64 64 VAL CG2 C 13 22.00 0.20 . 2 . . . . 64 VAL CG2 . 17745 1 662 . 1 1 64 64 VAL N N 15 117.26 0.20 . 1 . . . . 64 VAL N . 17745 1 663 . 1 1 65 65 GLU H H 1 8.56 0.03 . 1 . . . . 65 GLU H . 17745 1 664 . 1 1 65 65 GLU HA H 1 3.51 0.03 . 1 . . . . 65 GLU HA . 17745 1 665 . 1 1 65 65 GLU HB2 H 1 2.32 0.03 . 2 . . . . 65 GLU HB2 . 17745 1 666 . 1 1 65 65 GLU HB3 H 1 1.58 0.03 . 2 . . . . 65 GLU HB3 . 17745 1 667 . 1 1 65 65 GLU C C 13 176.61 0.20 . 1 . . . . 65 GLU C . 17745 1 668 . 1 1 65 65 GLU CA C 13 61.04 0.20 . 1 . . . . 65 GLU CA . 17745 1 669 . 1 1 65 65 GLU CB C 13 28.38 0.20 . 1 . . . . 65 GLU CB . 17745 1 670 . 1 1 65 65 GLU CG C 13 35.03 0.20 . 1 . . . . 65 GLU CG . 17745 1 671 . 1 1 65 65 GLU N N 15 122.69 0.20 . 1 . . . . 65 GLU N . 17745 1 672 . 1 1 66 66 PHE H H 1 8.13 0.03 . 1 . . . . 66 PHE H . 17745 1 673 . 1 1 66 66 PHE HA H 1 3.65 0.03 . 1 . . . . 66 PHE HA . 17745 1 674 . 1 1 66 66 PHE HB2 H 1 2.91 0.03 . 2 . . . . 66 PHE HB2 . 17745 1 675 . 1 1 66 66 PHE HB3 H 1 3.15 0.03 . 2 . . . . 66 PHE HB3 . 17745 1 676 . 1 1 66 66 PHE HD1 H 1 6.69 0.03 . 1 . . . . 66 PHE HD1 . 17745 1 677 . 1 1 66 66 PHE HD2 H 1 6.69 0.03 . 1 . . . . 66 PHE HD2 . 17745 1 678 . 1 1 66 66 PHE HE1 H 1 6.10 0.03 . 1 . . . . 66 PHE HE1 . 17745 1 679 . 1 1 66 66 PHE HE2 H 1 6.10 0.03 . 1 . . . . 66 PHE HE2 . 17745 1 680 . 1 1 66 66 PHE HZ H 1 5.64 0.03 . 1 . . . . 66 PHE HZ . 17745 1 681 . 1 1 66 66 PHE C C 13 178.15 0.20 . 1 . . . . 66 PHE C . 17745 1 682 . 1 1 66 66 PHE CA C 13 61.19 0.20 . 1 . . . . 66 PHE CA . 17745 1 683 . 1 1 66 66 PHE CB C 13 39.14 0.20 . 1 . . . . 66 PHE CB . 17745 1 684 . 1 1 66 66 PHE N N 15 118.29 0.20 . 1 . . . . 66 PHE N . 17745 1 685 . 1 1 67 67 ALA H H 1 7.80 0.03 . 1 . . . . 67 ALA H . 17745 1 686 . 1 1 67 67 ALA HA H 1 3.18 0.03 . 1 . . . . 67 ALA HA . 17745 1 687 . 1 1 67 67 ALA HB1 H 1 1.16 0.03 . 1 . . . . 67 ALA MB . 17745 1 688 . 1 1 67 67 ALA HB2 H 1 1.16 0.03 . 1 . . . . 67 ALA MB . 17745 1 689 . 1 1 67 67 ALA HB3 H 1 1.16 0.03 . 1 . . . . 67 ALA MB . 17745 1 690 . 1 1 67 67 ALA C C 13 178.05 0.20 . 1 . . . . 67 ALA C . 17745 1 691 . 1 1 67 67 ALA CA C 13 54.81 0.20 . 1 . . . . 67 ALA CA . 17745 1 692 . 1 1 67 67 ALA CB C 13 20.04 0.20 . 1 . . . . 67 ALA CB . 17745 1 693 . 1 1 67 67 ALA N N 15 120.02 0.20 . 1 . . . . 67 ALA N . 17745 1 694 . 1 1 68 68 CYS H H 1 8.33 0.03 . 1 . . . . 68 CYS H . 17745 1 695 . 1 1 68 68 CYS HA H 1 3.60 0.03 . 1 . . . . 68 CYS HA . 17745 1 696 . 1 1 68 68 CYS HB2 H 1 2.41 0.03 . 2 . . . . 68 CYS HB2 . 17745 1 697 . 1 1 68 68 CYS HB3 H 1 3.12 0.03 . 2 . . . . 68 CYS HB3 . 17745 1 698 . 1 1 68 68 CYS C C 13 175.26 0.20 . 1 . . . . 68 CYS C . 17745 1 699 . 1 1 68 68 CYS CA C 13 65.18 0.20 . 1 . . . . 68 CYS CA . 17745 1 700 . 1 1 68 68 CYS CB C 13 26.51 0.20 . 1 . . . . 68 CYS CB . 17745 1 701 . 1 1 68 68 CYS N N 15 114.77 0.20 . 1 . . . . 68 CYS N . 17745 1 702 . 1 1 69 69 LYS H H 1 7.49 0.03 . 1 . . . . 69 LYS H . 17745 1 703 . 1 1 69 69 LYS HA H 1 3.84 0.03 . 1 . . . . 69 LYS HA . 17745 1 704 . 1 1 69 69 LYS HB2 H 1 1.43 0.03 . 2 . . . . 69 LYS HB2 . 17745 1 705 . 1 1 69 69 LYS HB3 H 1 1.59 0.03 . 2 . . . . 69 LYS HB3 . 17745 1 706 . 1 1 69 69 LYS HG2 H 1 1.10 0.03 . 2 . . . . 69 LYS HG2 . 17745 1 707 . 1 1 69 69 LYS HG3 H 1 1.10 0.03 . 2 . . . . 69 LYS HG3 . 17745 1 708 . 1 1 69 69 LYS HD2 H 1 1.38 0.03 . 2 . . . . 69 LYS HD2 . 17745 1 709 . 1 1 69 69 LYS HD3 H 1 1.38 0.03 . 2 . . . . 69 LYS HD3 . 17745 1 710 . 1 1 69 69 LYS HE2 H 1 2.67 0.03 . 2 . . . . 69 LYS HE2 . 17745 1 711 . 1 1 69 69 LYS HE3 H 1 2.67 0.03 . 2 . . . . 69 LYS HE3 . 17745 1 712 . 1 1 69 69 LYS C C 13 180.81 0.20 . 1 . . . . 69 LYS C . 17745 1 713 . 1 1 69 69 LYS CA C 13 59.00 0.20 . 1 . . . . 69 LYS CA . 17745 1 714 . 1 1 69 69 LYS CB C 13 31.66 0.20 . 1 . . . . 69 LYS CB . 17745 1 715 . 1 1 69 69 LYS CG C 13 25.90 0.20 . 1 . . . . 69 LYS CG . 17745 1 716 . 1 1 69 69 LYS CD C 13 29.16 0.20 . 1 . . . . 69 LYS CD . 17745 1 717 . 1 1 69 69 LYS CE C 13 41.69 0.20 . 1 . . . . 69 LYS CE . 17745 1 718 . 1 1 69 69 LYS N N 15 116.07 0.20 . 1 . . . . 69 LYS N . 17745 1 719 . 1 1 70 70 LYS H H 1 7.13 0.03 . 1 . . . . 70 LYS H . 17745 1 720 . 1 1 70 70 LYS HA H 1 3.76 0.03 . 1 . . . . 70 LYS HA . 17745 1 721 . 1 1 70 70 LYS HB2 H 1 1.55 0.03 . 2 . . . . 70 LYS HB2 . 17745 1 722 . 1 1 70 70 LYS HB3 H 1 1.55 0.03 . 2 . . . . 70 LYS HB3 . 17745 1 723 . 1 1 70 70 LYS HE2 H 1 1.85 0.03 . 2 . . . . 70 LYS HE2 . 17745 1 724 . 1 1 70 70 LYS HE3 H 1 2.39 0.03 . 2 . . . . 70 LYS HE3 . 17745 1 725 . 1 1 70 70 LYS C C 13 179.71 0.20 . 1 . . . . 70 LYS C . 17745 1 726 . 1 1 70 70 LYS CA C 13 56.74 0.20 . 1 . . . . 70 LYS CA . 17745 1 727 . 1 1 70 70 LYS CB C 13 31.86 0.20 . 1 . . . . 70 LYS CB . 17745 1 728 . 1 1 70 70 LYS CG C 13 23.44 0.20 . 1 . . . . 70 LYS CG . 17745 1 729 . 1 1 70 70 LYS CD C 13 27.49 0.20 . 1 . . . . 70 LYS CD . 17745 1 730 . 1 1 70 70 LYS CE C 13 42.00 0.20 . 1 . . . . 70 LYS CE . 17745 1 731 . 1 1 70 70 LYS N N 15 118.90 0.20 . 1 . . . . 70 LYS N . 17745 1 732 . 1 1 71 71 ALA H H 1 8.10 0.03 . 1 . . . . 71 ALA H . 17745 1 733 . 1 1 71 71 ALA HA H 1 3.82 0.03 . 1 . . . . 71 ALA HA . 17745 1 734 . 1 1 71 71 ALA HB1 H 1 1.23 0.03 . 1 . . . . 71 ALA MB . 17745 1 735 . 1 1 71 71 ALA HB2 H 1 1.23 0.03 . 1 . . . . 71 ALA MB . 17745 1 736 . 1 1 71 71 ALA HB3 H 1 1.23 0.03 . 1 . . . . 71 ALA MB . 17745 1 737 . 1 1 71 71 ALA C C 13 177.63 0.20 . 1 . . . . 71 ALA C . 17745 1 738 . 1 1 71 71 ALA CA C 13 53.79 0.20 . 1 . . . . 71 ALA CA . 17745 1 739 . 1 1 71 71 ALA CB C 13 18.46 0.20 . 1 . . . . 71 ALA CB . 17745 1 740 . 1 1 71 71 ALA N N 15 121.65 0.20 . 1 . . . . 71 ALA N . 17745 1 741 . 1 1 72 72 LEU H H 1 6.96 0.03 . 1 . . . . 72 LEU H . 17745 1 742 . 1 1 72 72 LEU HA H 1 3.95 0.03 . 1 . . . . 72 LEU HA . 17745 1 743 . 1 1 72 72 LEU HB2 H 1 1.68 0.03 . 2 . . . . 72 LEU HB2 . 17745 1 744 . 1 1 72 72 LEU HB3 H 1 1.68 0.03 . 2 . . . . 72 LEU HB3 . 17745 1 745 . 1 1 72 72 LEU HG H 1 1.43 0.03 . 1 . . . . 72 LEU HG . 17745 1 746 . 1 1 72 72 LEU HD11 H 1 0.96 0.03 . 2 . . . . 72 LEU MD1 . 17745 1 747 . 1 1 72 72 LEU HD12 H 1 0.96 0.03 . 2 . . . . 72 LEU MD1 . 17745 1 748 . 1 1 72 72 LEU HD13 H 1 0.96 0.03 . 2 . . . . 72 LEU MD1 . 17745 1 749 . 1 1 72 72 LEU HD21 H 1 0.96 0.03 . 2 . . . . 72 LEU MD2 . 17745 1 750 . 1 1 72 72 LEU HD22 H 1 0.96 0.03 . 2 . . . . 72 LEU MD2 . 17745 1 751 . 1 1 72 72 LEU HD23 H 1 0.96 0.03 . 2 . . . . 72 LEU MD2 . 17745 1 752 . 1 1 72 72 LEU C C 13 178.66 0.20 . 1 . . . . 72 LEU C . 17745 1 753 . 1 1 72 72 LEU CA C 13 57.07 0.20 . 1 . . . . 72 LEU CA . 17745 1 754 . 1 1 72 72 LEU CB C 13 41.98 0.20 . 1 . . . . 72 LEU CB . 17745 1 755 . 1 1 72 72 LEU CG C 13 25.90 0.20 . 1 . . . . 72 LEU CG . 17745 1 756 . 1 1 72 72 LEU CD1 C 13 23.58 0.20 . 2 . . . . 72 LEU CD1 . 17745 1 757 . 1 1 72 72 LEU CD2 C 13 23.58 0.20 . 2 . . . . 72 LEU CD2 . 17745 1 758 . 1 1 72 72 LEU N N 15 112.00 0.20 . 1 . . . . 72 LEU N . 17745 1 759 . 1 1 73 73 LYS H H 1 7.13 0.03 . 1 . . . . 73 LYS H . 17745 1 760 . 1 1 73 73 LYS HA H 1 4.34 0.03 . 1 . . . . 73 LYS HA . 17745 1 761 . 1 1 73 73 LYS HB2 H 1 2.16 0.03 . 2 . . . . 73 LYS HB2 . 17745 1 762 . 1 1 73 73 LYS HB3 H 1 2.16 0.03 . 2 . . . . 73 LYS HB3 . 17745 1 763 . 1 1 73 73 LYS HG2 H 1 1.44 0.03 . 2 . . . . 73 LYS HG2 . 17745 1 764 . 1 1 73 73 LYS HG3 H 1 1.44 0.03 . 2 . . . . 73 LYS HG3 . 17745 1 765 . 1 1 73 73 LYS HD2 H 1 1.69 0.03 . 2 . . . . 73 LYS HD2 . 17745 1 766 . 1 1 73 73 LYS HD3 H 1 1.69 0.03 . 2 . . . . 73 LYS HD3 . 17745 1 767 . 1 1 73 73 LYS HE2 H 1 3.01 0.03 . 2 . . . . 73 LYS HE2 . 17745 1 768 . 1 1 73 73 LYS HE3 H 1 3.03 0.03 . 2 . . . . 73 LYS HE3 . 17745 1 769 . 1 1 73 73 LYS C C 13 175.96 0.20 . 1 . . . . 73 LYS C . 17745 1 770 . 1 1 73 73 LYS CA C 13 55.20 0.20 . 1 . . . . 73 LYS CA . 17745 1 771 . 1 1 73 73 LYS CB C 13 32.37 0.20 . 1 . . . . 73 LYS CB . 17745 1 772 . 1 1 73 73 LYS CG C 13 24.81 0.20 . 1 . . . . 73 LYS CG . 17745 1 773 . 1 1 73 73 LYS CD C 13 28.49 0.20 . 1 . . . . 73 LYS CD . 17745 1 774 . 1 1 73 73 LYS CE C 13 41.83 0.20 . 1 . . . . 73 LYS CE . 17745 1 775 . 1 1 73 73 LYS N N 15 114.08 0.20 . 1 . . . . 73 LYS N . 17745 1 776 . 1 1 74 74 ILE H H 1 7.93 0.03 . 1 . . . . 74 ILE H . 17745 1 777 . 1 1 74 74 ILE HA H 1 4.44 0.03 . 1 . . . . 74 ILE HA . 17745 1 778 . 1 1 74 74 ILE HB H 1 2.16 0.03 . 1 . . . . 74 ILE HB . 17745 1 779 . 1 1 74 74 ILE HG12 H 1 1.54 0.03 . 2 . . . . 74 ILE HG12 . 17745 1 780 . 1 1 74 74 ILE HG13 H 1 1.54 0.03 . 2 . . . . 74 ILE HG13 . 17745 1 781 . 1 1 74 74 ILE HG21 H 1 0.82 0.03 . 1 . . . . 74 ILE MG . 17745 1 782 . 1 1 74 74 ILE HG22 H 1 0.82 0.03 . 1 . . . . 74 ILE MG . 17745 1 783 . 1 1 74 74 ILE HG23 H 1 0.82 0.03 . 1 . . . . 74 ILE MG . 17745 1 784 . 1 1 74 74 ILE HD11 H 1 0.94 0.03 . 1 . . . . 74 ILE MD . 17745 1 785 . 1 1 74 74 ILE HD12 H 1 0.94 0.03 . 1 . . . . 74 ILE MD . 17745 1 786 . 1 1 74 74 ILE HD13 H 1 0.94 0.03 . 1 . . . . 74 ILE MD . 17745 1 787 . 1 1 74 74 ILE CA C 13 58.49 0.20 . 1 . . . . 74 ILE CA . 17745 1 788 . 1 1 74 74 ILE CB C 13 39.00 0.20 . 1 . . . . 74 ILE CB . 17745 1 789 . 1 1 74 74 ILE CG1 C 13 27.43 0.20 . 1 . . . . 74 ILE CG1 . 17745 1 790 . 1 1 74 74 ILE CG2 C 13 16.57 0.20 . 1 . . . . 74 ILE CG2 . 17745 1 791 . 1 1 74 74 ILE CD1 C 13 13.69 0.20 . 1 . . . . 74 ILE CD1 . 17745 1 792 . 1 1 74 74 ILE N N 15 124.98 0.20 . 1 . . . . 74 ILE N . 17745 1 793 . 1 1 75 75 PRO HA H 1 4.49 0.03 . 1 . . . . 75 PRO HA . 17745 1 794 . 1 1 75 75 PRO HB2 H 1 2.02 0.03 . 2 . . . . 75 PRO HB2 . 17745 1 795 . 1 1 75 75 PRO HB3 H 1 2.28 0.03 . 2 . . . . 75 PRO HB3 . 17745 1 796 . 1 1 75 75 PRO HD2 H 1 3.85 0.03 . 2 . . . . 75 PRO HD2 . 17745 1 797 . 1 1 75 75 PRO HD3 H 1 3.85 0.03 . 2 . . . . 75 PRO HD3 . 17745 1 798 . 1 1 75 75 PRO C C 13 177.51 0.20 . 1 . . . . 75 PRO C . 17745 1 799 . 1 1 75 75 PRO CA C 13 63.48 0.20 . 1 . . . . 75 PRO CA . 17745 1 800 . 1 1 75 75 PRO CB C 13 31.42 0.20 . 1 . . . . 75 PRO CB . 17745 1 801 . 1 1 75 75 PRO CG C 13 27.57 0.20 . 1 . . . . 75 PRO CG . 17745 1 802 . 1 1 75 75 PRO CD C 13 51.11 0.20 . 1 . . . . 75 PRO CD . 17745 1 803 . 1 1 76 76 GLY H H 1 8.21 0.03 . 1 . . . . 76 GLY H . 17745 1 804 . 1 1 76 76 GLY CA C 13 44.76 0.20 . 1 . . . . 76 GLY CA . 17745 1 805 . 1 1 76 76 GLY N N 15 109.06 0.20 . 1 . . . . 76 GLY N . 17745 1 806 . 1 1 77 77 PRO HA H 1 4.48 0.03 . 1 . . . . 77 PRO HA . 17745 1 807 . 1 1 77 77 PRO HB2 H 1 2.28 0.03 . 2 . . . . 77 PRO HB2 . 17745 1 808 . 1 1 77 77 PRO HB3 H 1 2.28 0.03 . 2 . . . . 77 PRO HB3 . 17745 1 809 . 1 1 77 77 PRO HG2 H 1 2.02 0.03 . 2 . . . . 77 PRO HG2 . 17745 1 810 . 1 1 77 77 PRO HG3 H 1 2.02 0.03 . 2 . . . . 77 PRO HG3 . 17745 1 811 . 1 1 77 77 PRO HD2 H 1 3.86 0.03 . 2 . . . . 77 PRO HD2 . 17745 1 812 . 1 1 77 77 PRO HD3 H 1 3.86 0.03 . 2 . . . . 77 PRO HD3 . 17745 1 813 . 1 1 77 77 PRO C C 13 176.59 0.20 . 1 . . . . 77 PRO C . 17745 1 814 . 1 1 77 77 PRO CA C 13 63.60 0.20 . 1 . . . . 77 PRO CA . 17745 1 815 . 1 1 77 77 PRO CB C 13 31.80 0.20 . 1 . . . . 77 PRO CB . 17745 1 816 . 1 1 77 77 PRO CG C 13 27.10 0.20 . 1 . . . . 77 PRO CG . 17745 1 817 . 1 1 77 77 PRO CD C 13 50.66 0.20 . 1 . . . . 77 PRO CD . 17745 1 818 . 1 1 78 78 VAL H H 1 8.38 0.03 . 1 . . . . 78 VAL H . 17745 1 819 . 1 1 78 78 VAL HA H 1 5.14 0.03 . 1 . . . . 78 VAL HA . 17745 1 820 . 1 1 78 78 VAL HB H 1 1.72 0.03 . 1 . . . . 78 VAL HB . 17745 1 821 . 1 1 78 78 VAL HG11 H 1 1.19 0.03 . 2 . . . . 78 VAL MG1 . 17745 1 822 . 1 1 78 78 VAL HG12 H 1 1.19 0.03 . 2 . . . . 78 VAL MG1 . 17745 1 823 . 1 1 78 78 VAL HG13 H 1 1.19 0.03 . 2 . . . . 78 VAL MG1 . 17745 1 824 . 1 1 78 78 VAL HG21 H 1 1.02 0.03 . 2 . . . . 78 VAL MG2 . 17745 1 825 . 1 1 78 78 VAL HG22 H 1 1.02 0.03 . 2 . . . . 78 VAL MG2 . 17745 1 826 . 1 1 78 78 VAL HG23 H 1 1.02 0.03 . 2 . . . . 78 VAL MG2 . 17745 1 827 . 1 1 78 78 VAL C C 13 172.63 0.20 . 1 . . . . 78 VAL C . 17745 1 828 . 1 1 78 78 VAL CA C 13 60.63 0.20 . 1 . . . . 78 VAL CA . 17745 1 829 . 1 1 78 78 VAL CB C 13 37.66 0.20 . 1 . . . . 78 VAL CB . 17745 1 830 . 1 1 78 78 VAL CG1 C 13 23.07 0.20 . 2 . . . . 78 VAL CG1 . 17745 1 831 . 1 1 78 78 VAL CG2 C 13 22.79 0.20 . 2 . . . . 78 VAL CG2 . 17745 1 832 . 1 1 78 78 VAL N N 15 121.77 0.20 . 1 . . . . 78 VAL N . 17745 1 833 . 1 1 79 79 LEU H H 1 7.89 0.03 . 1 . . . . 79 LEU H . 17745 1 834 . 1 1 79 79 LEU HA H 1 4.84 0.03 . 1 . . . . 79 LEU HA . 17745 1 835 . 1 1 79 79 LEU HB2 H 1 -0.31 0.03 . 2 . . . . 79 LEU HB2 . 17745 1 836 . 1 1 79 79 LEU HB3 H 1 1.28 0.03 . 2 . . . . 79 LEU HB3 . 17745 1 837 . 1 1 79 79 LEU HD11 H 1 0.54 0.03 . 2 . . . . 79 LEU MD1 . 17745 1 838 . 1 1 79 79 LEU HD12 H 1 0.54 0.03 . 2 . . . . 79 LEU MD1 . 17745 1 839 . 1 1 79 79 LEU HD13 H 1 0.54 0.03 . 2 . . . . 79 LEU MD1 . 17745 1 840 . 1 1 79 79 LEU HD21 H 1 0.50 0.03 . 2 . . . . 79 LEU MD2 . 17745 1 841 . 1 1 79 79 LEU HD22 H 1 0.50 0.03 . 2 . . . . 79 LEU MD2 . 17745 1 842 . 1 1 79 79 LEU HD23 H 1 0.50 0.03 . 2 . . . . 79 LEU MD2 . 17745 1 843 . 1 1 79 79 LEU C C 13 173.98 0.20 . 1 . . . . 79 LEU C . 17745 1 844 . 1 1 79 79 LEU CA C 13 52.54 0.20 . 1 . . . . 79 LEU CA . 17745 1 845 . 1 1 79 79 LEU CB C 13 43.88 0.20 . 1 . . . . 79 LEU CB . 17745 1 846 . 1 1 79 79 LEU CD1 C 13 22.71 0.20 . 2 . . . . 79 LEU CD1 . 17745 1 847 . 1 1 79 79 LEU CD2 C 13 26.48 0.20 . 2 . . . . 79 LEU CD2 . 17745 1 848 . 1 1 79 79 LEU N N 15 129.60 0.20 . 1 . . . . 79 LEU N . 17745 1 849 . 1 1 80 80 VAL H H 1 9.47 0.03 . 1 . . . . 80 VAL H . 17745 1 850 . 1 1 80 80 VAL HA H 1 4.67 0.03 . 1 . . . . 80 VAL HA . 17745 1 851 . 1 1 80 80 VAL HB H 1 1.98 0.03 . 1 . . . . 80 VAL HB . 17745 1 852 . 1 1 80 80 VAL HG11 H 1 0.82 0.03 . 2 . . . . 80 VAL MG1 . 17745 1 853 . 1 1 80 80 VAL HG12 H 1 0.82 0.03 . 2 . . . . 80 VAL MG1 . 17745 1 854 . 1 1 80 80 VAL HG13 H 1 0.82 0.03 . 2 . . . . 80 VAL MG1 . 17745 1 855 . 1 1 80 80 VAL HG21 H 1 0.72 0.03 . 2 . . . . 80 VAL MG2 . 17745 1 856 . 1 1 80 80 VAL HG22 H 1 0.72 0.03 . 2 . . . . 80 VAL MG2 . 17745 1 857 . 1 1 80 80 VAL HG23 H 1 0.72 0.03 . 2 . . . . 80 VAL MG2 . 17745 1 858 . 1 1 80 80 VAL C C 13 173.51 0.20 . 1 . . . . 80 VAL C . 17745 1 859 . 1 1 80 80 VAL CA C 13 61.45 0.20 . 1 . . . . 80 VAL CA . 17745 1 860 . 1 1 80 80 VAL CB C 13 33.42 0.20 . 1 . . . . 80 VAL CB . 17745 1 861 . 1 1 80 80 VAL CG1 C 13 21.95 0.20 . 2 . . . . 80 VAL CG1 . 17745 1 862 . 1 1 80 80 VAL CG2 C 13 20.88 0.20 . 2 . . . . 80 VAL CG2 . 17745 1 863 . 1 1 80 80 VAL N N 15 127.72 0.20 . 1 . . . . 80 VAL N . 17745 1 864 . 1 1 81 81 ILE H H 1 9.18 0.03 . 1 . . . . 81 ILE H . 17745 1 865 . 1 1 81 81 ILE HA H 1 5.03 0.03 . 1 . . . . 81 ILE HA . 17745 1 866 . 1 1 81 81 ILE HB H 1 1.67 0.03 . 1 . . . . 81 ILE HB . 17745 1 867 . 1 1 81 81 ILE HG12 H 1 0.72 0.03 . 2 . . . . 81 ILE HG12 . 17745 1 868 . 1 1 81 81 ILE HG13 H 1 0.72 0.03 . 2 . . . . 81 ILE HG13 . 17745 1 869 . 1 1 81 81 ILE HG21 H 1 0.89 0.03 . 1 . . . . 81 ILE MG . 17745 1 870 . 1 1 81 81 ILE HG22 H 1 0.89 0.03 . 1 . . . . 81 ILE MG . 17745 1 871 . 1 1 81 81 ILE HG23 H 1 0.89 0.03 . 1 . . . . 81 ILE MG . 17745 1 872 . 1 1 81 81 ILE HD11 H 1 0.19 0.03 . 1 . . . . 81 ILE MD . 17745 1 873 . 1 1 81 81 ILE HD12 H 1 0.19 0.03 . 1 . . . . 81 ILE MD . 17745 1 874 . 1 1 81 81 ILE HD13 H 1 0.19 0.03 . 1 . . . . 81 ILE MD . 17745 1 875 . 1 1 81 81 ILE C C 13 174.93 0.20 . 1 . . . . 81 ILE C . 17745 1 876 . 1 1 81 81 ILE CA C 13 58.19 0.20 . 1 . . . . 81 ILE CA . 17745 1 877 . 1 1 81 81 ILE CB C 13 38.65 0.20 . 1 . . . . 81 ILE CB . 17745 1 878 . 1 1 81 81 ILE CG1 C 13 26.90 0.20 . 1 . . . . 81 ILE CG1 . 17745 1 879 . 1 1 81 81 ILE CG2 C 13 18.47 0.20 . 1 . . . . 81 ILE CG2 . 17745 1 880 . 1 1 81 81 ILE CD1 C 13 11.19 0.20 . 1 . . . . 81 ILE CD1 . 17745 1 881 . 1 1 81 81 ILE N N 15 127.56 0.20 . 1 . . . . 81 ILE N . 17745 1 882 . 1 1 82 82 THR H H 1 8.26 0.03 . 1 . . . . 82 THR H . 17745 1 883 . 1 1 82 82 THR HA H 1 5.01 0.03 . 1 . . . . 82 THR HA . 17745 1 884 . 1 1 82 82 THR HB H 1 3.80 0.03 . 1 . . . . 82 THR HB . 17745 1 885 . 1 1 82 82 THR HG21 H 1 1.13 0.03 . 1 . . . . 82 THR MG . 17745 1 886 . 1 1 82 82 THR HG22 H 1 1.13 0.03 . 1 . . . . 82 THR MG . 17745 1 887 . 1 1 82 82 THR HG23 H 1 1.13 0.03 . 1 . . . . 82 THR MG . 17745 1 888 . 1 1 82 82 THR C C 13 171.86 0.20 . 1 . . . . 82 THR C . 17745 1 889 . 1 1 82 82 THR CA C 13 58.65 0.20 . 1 . . . . 82 THR CA . 17745 1 890 . 1 1 82 82 THR CB C 13 69.96 0.20 . 1 . . . . 82 THR CB . 17745 1 891 . 1 1 82 82 THR CG2 C 13 19.02 0.02 . 1 . . . . 82 THR CG2 . 17745 1 892 . 1 1 82 82 THR N N 15 121.44 0.20 . 1 . . . . 82 THR N . 17745 1 893 . 1 1 83 83 ASP H H 1 8.35 0.03 . 1 . . . . 83 ASP H . 17745 1 894 . 1 1 83 83 ASP HA H 1 5.04 0.03 . 1 . . . . 83 ASP HA . 17745 1 895 . 1 1 83 83 ASP HB2 H 1 2.77 0.03 . 2 . . . . 83 ASP HB2 . 17745 1 896 . 1 1 83 83 ASP HB3 H 1 3.09 0.03 . 2 . . . . 83 ASP HB3 . 17745 1 897 . 1 1 83 83 ASP C C 13 176.81 0.20 . 1 . . . . 83 ASP C . 17745 1 898 . 1 1 83 83 ASP CA C 13 54.40 0.20 . 1 . . . . 83 ASP CA . 17745 1 899 . 1 1 83 83 ASP CB C 13 41.21 0.20 . 1 . . . . 83 ASP CB . 17745 1 900 . 1 1 83 83 ASP N N 15 127.39 0.20 . 1 . . . . 83 ASP N . 17745 1 901 . 1 1 84 84 SER H H 1 8.60 0.03 . 1 . . . . 84 SER H . 17745 1 902 . 1 1 84 84 SER HA H 1 4.75 0.03 . 1 . . . . 84 SER HA . 17745 1 903 . 1 1 84 84 SER HB2 H 1 3.78 0.03 . 2 . . . . 84 SER HB2 . 17745 1 904 . 1 1 84 84 SER HB3 H 1 4.02 0.03 . 2 . . . . 84 SER HB3 . 17745 1 905 . 1 1 84 84 SER C C 13 175.01 0.20 . 1 . . . . 84 SER C . 17745 1 906 . 1 1 84 84 SER CA C 13 56.54 0.20 . 1 . . . . 84 SER CA . 17745 1 907 . 1 1 84 84 SER CB C 13 62.31 0.20 . 1 . . . . 84 SER CB . 17745 1 908 . 1 1 84 84 SER N N 15 115.89 0.20 . 1 . . . . 84 SER N . 17745 1 909 . 1 1 85 85 PHE H H 1 8.98 0.03 . 1 . . . . 85 PHE H . 17745 1 910 . 1 1 85 85 PHE HA H 1 3.61 0.03 . 1 . . . . 85 PHE HA . 17745 1 911 . 1 1 85 85 PHE HB2 H 1 2.89 0.03 . 2 . . . . 85 PHE HB2 . 17745 1 912 . 1 1 85 85 PHE HB3 H 1 2.89 0.03 . 2 . . . . 85 PHE HB3 . 17745 1 913 . 1 1 85 85 PHE HD1 H 1 7.00 0.03 . 1 . . . . 85 PHE HD1 . 17745 1 914 . 1 1 85 85 PHE HD2 H 1 7.00 0.03 . 1 . . . . 85 PHE HD2 . 17745 1 915 . 1 1 85 85 PHE HE1 H 1 7.28 0.03 . 1 . . . . 85 PHE HE1 . 17745 1 916 . 1 1 85 85 PHE HE2 H 1 7.28 0.03 . 1 . . . . 85 PHE HE2 . 17745 1 917 . 1 1 85 85 PHE C C 13 176.51 0.20 . 1 . . . . 85 PHE C . 17745 1 918 . 1 1 85 85 PHE CA C 13 61.92 0.20 . 1 . . . . 85 PHE CA . 17745 1 919 . 1 1 85 85 PHE CB C 13 39.19 0.20 . 1 . . . . 85 PHE CB . 17745 1 920 . 1 1 85 85 PHE N N 15 133.76 0.20 . 1 . . . . 85 PHE N . 17745 1 921 . 1 1 86 86 TYR H H 1 8.64 0.03 . 1 . . . . 86 TYR H . 17745 1 922 . 1 1 86 86 TYR HA H 1 4.30 0.03 . 1 . . . . 86 TYR HA . 17745 1 923 . 1 1 86 86 TYR HB2 H 1 2.77 0.03 . 2 . . . . 86 TYR HB2 . 17745 1 924 . 1 1 86 86 TYR HB3 H 1 3.47 0.03 . 2 . . . . 86 TYR HB3 . 17745 1 925 . 1 1 86 86 TYR HD1 H 1 7.17 0.03 . 1 . . . . 86 TYR HD1 . 17745 1 926 . 1 1 86 86 TYR HD2 H 1 7.17 0.03 . 1 . . . . 86 TYR HD2 . 17745 1 927 . 1 1 86 86 TYR HE1 H 1 6.99 0.03 . 1 . . . . 86 TYR HE1 . 17745 1 928 . 1 1 86 86 TYR HE2 H 1 6.99 0.03 . 1 . . . . 86 TYR HE2 . 17745 1 929 . 1 1 86 86 TYR C C 13 178.59 0.20 . 1 . . . . 86 TYR C . 17745 1 930 . 1 1 86 86 TYR CA C 13 60.98 0.20 . 1 . . . . 86 TYR CA . 17745 1 931 . 1 1 86 86 TYR CB C 13 39.02 0.20 . 1 . . . . 86 TYR CB . 17745 1 932 . 1 1 86 86 TYR N N 15 117.64 0.20 . 1 . . . . 86 TYR N . 17745 1 933 . 1 1 87 87 VAL H H 1 8.15 0.03 . 1 . . . . 87 VAL H . 17745 1 934 . 1 1 87 87 VAL HA H 1 3.57 0.03 . 1 . . . . 87 VAL HA . 17745 1 935 . 1 1 87 87 VAL HB H 1 2.14 0.03 . 1 . . . . 87 VAL HB . 17745 1 936 . 1 1 87 87 VAL HG11 H 1 1.09 0.03 . 2 . . . . 87 VAL MG1 . 17745 1 937 . 1 1 87 87 VAL HG12 H 1 1.09 0.03 . 2 . . . . 87 VAL MG1 . 17745 1 938 . 1 1 87 87 VAL HG13 H 1 1.09 0.03 . 2 . . . . 87 VAL MG1 . 17745 1 939 . 1 1 87 87 VAL HG21 H 1 0.95 0.03 . 2 . . . . 87 VAL MG2 . 17745 1 940 . 1 1 87 87 VAL HG22 H 1 0.95 0.03 . 2 . . . . 87 VAL MG2 . 17745 1 941 . 1 1 87 87 VAL HG23 H 1 0.95 0.03 . 2 . . . . 87 VAL MG2 . 17745 1 942 . 1 1 87 87 VAL C C 13 177.28 0.20 . 1 . . . . 87 VAL C . 17745 1 943 . 1 1 87 87 VAL CA C 13 66.69 0.20 . 1 . . . . 87 VAL CA . 17745 1 944 . 1 1 87 87 VAL CB C 13 31.55 0.20 . 1 . . . . 87 VAL CB . 17745 1 945 . 1 1 87 87 VAL CG1 C 13 23.73 0.20 . 2 . . . . 87 VAL CG1 . 17745 1 946 . 1 1 87 87 VAL CG2 C 13 21.99 0.20 . 2 . . . . 87 VAL CG2 . 17745 1 947 . 1 1 87 87 VAL N N 15 120.09 0.20 . 1 . . . . 87 VAL N . 17745 1 948 . 1 1 88 88 ALA H H 1 7.89 0.03 . 1 . . . . 88 ALA H . 17745 1 949 . 1 1 88 88 ALA HA H 1 4.41 0.03 . 1 . . . . 88 ALA HA . 17745 1 950 . 1 1 88 88 ALA HB1 H 1 1.42 0.03 . 1 . . . . 88 ALA MB . 17745 1 951 . 1 1 88 88 ALA HB2 H 1 1.42 0.03 . 1 . . . . 88 ALA MB . 17745 1 952 . 1 1 88 88 ALA HB3 H 1 1.42 0.03 . 1 . . . . 88 ALA MB . 17745 1 953 . 1 1 88 88 ALA CA C 13 55.97 0.20 . 1 . . . . 88 ALA CA . 17745 1 954 . 1 1 88 88 ALA CB C 13 18.96 0.20 . 1 . . . . 88 ALA CB . 17745 1 955 . 1 1 88 88 ALA N N 15 120.30 0.20 . 1 . . . . 88 ALA N . 17745 1 956 . 1 1 90 90 SER HA H 1 3.90 0.03 . 1 . . . . 90 SER HA . 17745 1 957 . 1 1 90 90 SER HB2 H 1 3.09 0.03 . 2 . . . . 90 SER HB2 . 17745 1 958 . 1 1 90 90 SER HB3 H 1 3.69 0.03 . 2 . . . . 90 SER HB3 . 17745 1 959 . 1 1 90 90 SER C C 13 176.01 0.20 . 1 . . . . 90 SER C . 17745 1 960 . 1 1 90 90 SER CA C 13 63.15 0.20 . 1 . . . . 90 SER CA . 17745 1 961 . 1 1 90 90 SER CB C 13 63.15 0.20 . 1 . . . . 90 SER CB . 17745 1 962 . 1 1 91 91 ALA H H 1 8.65 0.03 . 1 . . . . 91 ALA H . 17745 1 963 . 1 1 91 91 ALA HA H 1 3.90 0.03 . 1 . . . . 91 ALA HA . 17745 1 964 . 1 1 91 91 ALA HB1 H 1 1.54 0.03 . 1 . . . . 91 ALA MB . 17745 1 965 . 1 1 91 91 ALA HB2 H 1 1.54 0.03 . 1 . . . . 91 ALA MB . 17745 1 966 . 1 1 91 91 ALA HB3 H 1 1.54 0.03 . 1 . . . . 91 ALA MB . 17745 1 967 . 1 1 91 91 ALA C C 13 176.95 0.20 . 1 . . . . 91 ALA C . 17745 1 968 . 1 1 91 91 ALA CA C 13 55.03 0.20 . 1 . . . . 91 ALA CA . 17745 1 969 . 1 1 91 91 ALA CB C 13 18.23 0.20 . 1 . . . . 91 ALA CB . 17745 1 970 . 1 1 91 91 ALA N N 15 122.79 0.20 . 1 . . . . 91 ALA N . 17745 1 971 . 1 1 92 92 ASN H H 1 7.36 0.03 . 1 . . . . 92 ASN H . 17745 1 972 . 1 1 92 92 ASN HA H 1 4.60 0.03 . 1 . . . . 92 ASN HA . 17745 1 973 . 1 1 92 92 ASN HB2 H 1 2.72 0.03 . 2 . . . . 92 ASN HB2 . 17745 1 974 . 1 1 92 92 ASN HB3 H 1 2.72 0.03 . 2 . . . . 92 ASN HB3 . 17745 1 975 . 1 1 92 92 ASN C C 13 176.34 0.20 . 1 . . . . 92 ASN C . 17745 1 976 . 1 1 92 92 ASN CA C 13 55.46 0.20 . 1 . . . . 92 ASN CA . 17745 1 977 . 1 1 92 92 ASN CB C 13 40.63 0.20 . 1 . . . . 92 ASN CB . 17745 1 978 . 1 1 92 92 ASN N N 15 110.25 0.20 . 1 . . . . 92 ASN N . 17745 1 979 . 1 1 93 93 LYS H H 1 8.31 0.03 . 1 . . . . 93 LYS H . 17745 1 980 . 1 1 93 93 LYS HA H 1 4.38 0.03 . 1 . . . . 93 LYS HA . 17745 1 981 . 1 1 93 93 LYS HB2 H 1 1.84 0.03 . 2 . . . . 93 LYS HB2 . 17745 1 982 . 1 1 93 93 LYS HB3 H 1 1.84 0.03 . 2 . . . . 93 LYS HB3 . 17745 1 983 . 1 1 93 93 LYS HG2 H 1 1.43 0.03 . 2 . . . . 93 LYS HG2 . 17745 1 984 . 1 1 93 93 LYS HG3 H 1 1.43 0.03 . 2 . . . . 93 LYS HG3 . 17745 1 985 . 1 1 93 93 LYS HD2 H 1 1.55 0.03 . 2 . . . . 93 LYS HD2 . 17745 1 986 . 1 1 93 93 LYS HD3 H 1 1.55 0.03 . 2 . . . . 93 LYS HD3 . 17745 1 987 . 1 1 93 93 LYS HE2 H 1 2.99 0.03 . 2 . . . . 93 LYS HE2 . 17745 1 988 . 1 1 93 93 LYS HE3 H 1 2.99 0.03 . 2 . . . . 93 LYS HE3 . 17745 1 989 . 1 1 93 93 LYS C C 13 177.08 0.20 . 1 . . . . 93 LYS C . 17745 1 990 . 1 1 93 93 LYS CA C 13 57.57 0.20 . 1 . . . . 93 LYS CA . 17745 1 991 . 1 1 93 93 LYS CB C 13 34.31 0.20 . 1 . . . . 93 LYS CB . 17745 1 992 . 1 1 93 93 LYS CG C 13 25.61 0.20 . 1 . . . . 93 LYS CG . 17745 1 993 . 1 1 93 93 LYS CD C 13 29.01 0.20 . 1 . . . . 93 LYS CD . 17745 1 994 . 1 1 93 93 LYS CE C 13 42.13 0.20 . 1 . . . . 93 LYS CE . 17745 1 995 . 1 1 93 93 LYS N N 15 115.74 0.20 . 1 . . . . 93 LYS N . 17745 1 996 . 1 1 94 94 GLU H H 1 7.33 0.03 . 1 . . . . 94 GLU H . 17745 1 997 . 1 1 94 94 GLU HA H 1 4.24 0.03 . 1 . . . . 94 GLU HA . 17745 1 998 . 1 1 94 94 GLU HB2 H 1 0.80 0.03 . 2 . . . . 94 GLU HB2 . 17745 1 999 . 1 1 94 94 GLU HB3 H 1 0.84 0.03 . 2 . . . . 94 GLU HB3 . 17745 1 1000 . 1 1 94 94 GLU HG2 H 1 1.94 0.03 . 2 . . . . 94 GLU HG2 . 17745 1 1001 . 1 1 94 94 GLU HG3 H 1 1.84 0.03 . 2 . . . . 94 GLU HG3 . 17745 1 1002 . 1 1 94 94 GLU C C 13 176.17 0.20 . 1 . . . . 94 GLU C . 17745 1 1003 . 1 1 94 94 GLU CA C 13 56.97 0.20 . 1 . . . . 94 GLU CA . 17745 1 1004 . 1 1 94 94 GLU CB C 13 30.26 0.20 . 1 . . . . 94 GLU CB . 17745 1 1005 . 1 1 94 94 GLU CG C 13 35.97 0.20 . 1 . . . . 94 GLU CG . 17745 1 1006 . 1 1 94 94 GLU N N 15 116.65 0.20 . 1 . . . . 94 GLU N . 17745 1 1007 . 1 1 95 95 LEU H H 1 7.43 0.03 . 1 . . . . 95 LEU H . 17745 1 1008 . 1 1 95 95 LEU HA H 1 3.68 0.03 . 1 . . . . 95 LEU HA . 17745 1 1009 . 1 1 95 95 LEU HB2 H 1 1.09 0.03 . 2 . . . . 95 LEU HB2 . 17745 1 1010 . 1 1 95 95 LEU HB3 H 1 2.07 0.03 . 2 . . . . 95 LEU HB3 . 17745 1 1011 . 1 1 95 95 LEU HG H 1 1.77 0.03 . 1 . . . . 95 LEU HG . 17745 1 1012 . 1 1 95 95 LEU HD11 H 1 1.16 0.03 . 2 . . . . 95 LEU MD1 . 17745 1 1013 . 1 1 95 95 LEU HD12 H 1 1.16 0.03 . 2 . . . . 95 LEU MD1 . 17745 1 1014 . 1 1 95 95 LEU HD13 H 1 1.16 0.03 . 2 . . . . 95 LEU MD1 . 17745 1 1015 . 1 1 95 95 LEU HD21 H 1 1.40 0.03 . 2 . . . . 95 LEU MD2 . 17745 1 1016 . 1 1 95 95 LEU HD22 H 1 1.40 0.03 . 2 . . . . 95 LEU MD2 . 17745 1 1017 . 1 1 95 95 LEU HD23 H 1 1.40 0.03 . 2 . . . . 95 LEU MD2 . 17745 1 1018 . 1 1 95 95 LEU CA C 13 58.80 0.20 . 1 . . . . 95 LEU CA . 17745 1 1019 . 1 1 95 95 LEU CB C 13 39.70 0.20 . 1 . . . . 95 LEU CB . 17745 1 1020 . 1 1 95 95 LEU CG C 13 27.43 0.20 . 1 . . . . 95 LEU CG . 17745 1 1021 . 1 1 95 95 LEU CD1 C 13 25.95 0.20 . 2 . . . . 95 LEU CD1 . 17745 1 1022 . 1 1 95 95 LEU CD2 C 13 25.95 0.20 . 2 . . . . 95 LEU CD2 . 17745 1 1023 . 1 1 95 95 LEU N N 15 119.60 0.20 . 1 . . . . 95 LEU N . 17745 1 1024 . 1 1 96 96 PRO HA H 1 4.05 0.03 . 1 . . . . 96 PRO HA . 17745 1 1025 . 1 1 96 96 PRO HB2 H 1 1.36 0.03 . 2 . . . . 96 PRO HB2 . 17745 1 1026 . 1 1 96 96 PRO HB3 H 1 2.19 0.03 . 2 . . . . 96 PRO HB3 . 17745 1 1027 . 1 1 96 96 PRO HG2 H 1 1.84 0.03 . 2 . . . . 96 PRO HG2 . 17745 1 1028 . 1 1 96 96 PRO HG3 H 1 1.84 0.03 . 2 . . . . 96 PRO HG3 . 17745 1 1029 . 1 1 96 96 PRO HD2 H 1 2.88 0.03 . 2 . . . . 96 PRO HD2 . 17745 1 1030 . 1 1 96 96 PRO HD3 H 1 3.41 0.03 . 2 . . . . 96 PRO HD3 . 17745 1 1031 . 1 1 96 96 PRO C C 13 178.94 0.20 . 1 . . . . 96 PRO C . 17745 1 1032 . 1 1 96 96 PRO CA C 13 66.29 0.20 . 1 . . . . 96 PRO CA . 17745 1 1033 . 1 1 96 96 PRO CB C 13 30.79 0.20 . 1 . . . . 96 PRO CB . 17745 1 1034 . 1 1 96 96 PRO CG C 13 28.51 0.20 . 1 . . . . 96 PRO CG . 17745 1 1035 . 1 1 96 96 PRO CD C 13 49.88 0.20 . 1 . . . . 96 PRO CD . 17745 1 1036 . 1 1 97 97 TYR H H 1 7.05 0.03 . 1 . . . . 97 TYR H . 17745 1 1037 . 1 1 97 97 TYR HA H 1 4.22 0.03 . 1 . . . . 97 TYR HA . 17745 1 1038 . 1 1 97 97 TYR HB2 H 1 2.94 0.03 . 2 . . . . 97 TYR HB2 . 17745 1 1039 . 1 1 97 97 TYR HB3 H 1 2.94 0.03 . 2 . . . . 97 TYR HB3 . 17745 1 1040 . 1 1 97 97 TYR HD1 H 1 7.06 0.03 . 1 . . . . 97 TYR HD1 . 17745 1 1041 . 1 1 97 97 TYR HD2 H 1 7.06 0.03 . 1 . . . . 97 TYR HD2 . 17745 1 1042 . 1 1 97 97 TYR HE1 H 1 6.81 0.03 . 1 . . . . 97 TYR HE1 . 17745 1 1043 . 1 1 97 97 TYR HE2 H 1 6.81 0.03 . 1 . . . . 97 TYR HE2 . 17745 1 1044 . 1 1 97 97 TYR C C 13 176.84 0.20 . 1 . . . . 97 TYR C . 17745 1 1045 . 1 1 97 97 TYR CA C 13 60.12 0.20 . 1 . . . . 97 TYR CA . 17745 1 1046 . 1 1 97 97 TYR CB C 13 37.57 0.20 . 1 . . . . 97 TYR CB . 17745 1 1047 . 1 1 97 97 TYR N N 15 117.10 0.20 . 1 . . . . 97 TYR N . 17745 1 1048 . 1 1 98 98 TRP H H 1 8.00 0.03 . 1 . . . . 98 TRP H . 17745 1 1049 . 1 1 98 98 TRP HA H 1 4.43 0.03 . 1 . . . . 98 TRP HA . 17745 1 1050 . 1 1 98 98 TRP HB2 H 1 2.26 0.03 . 2 . . . . 98 TRP HB2 . 17745 1 1051 . 1 1 98 98 TRP HB3 H 1 2.94 0.03 . 2 . . . . 98 TRP HB3 . 17745 1 1052 . 1 1 98 98 TRP HD1 H 1 7.01 0.03 . 1 . . . . 98 TRP HD1 . 17745 1 1053 . 1 1 98 98 TRP HE1 H 1 10.03 0.03 . 1 . . . . 98 TRP HE1 . 17745 1 1054 . 1 1 98 98 TRP HE3 H 1 7.81 0.03 . 1 . . . . 98 TRP HE3 . 17745 1 1055 . 1 1 98 98 TRP HZ2 H 1 7.27 0.03 . 1 . . . . 98 TRP HZ2 . 17745 1 1056 . 1 1 98 98 TRP HZ3 H 1 6.84 0.03 . 1 . . . . 98 TRP HZ3 . 17745 1 1057 . 1 1 98 98 TRP HH2 H 1 6.44 0.03 . 1 . . . . 98 TRP HH2 . 17745 1 1058 . 1 1 98 98 TRP C C 13 178.86 0.20 . 1 . . . . 98 TRP C . 17745 1 1059 . 1 1 98 98 TRP CA C 13 57.47 0.20 . 1 . . . . 98 TRP CA . 17745 1 1060 . 1 1 98 98 TRP CB C 13 28.93 0.20 . 1 . . . . 98 TRP CB . 17745 1 1061 . 1 1 98 98 TRP N N 15 122.60 0.20 . 1 . . . . 98 TRP N . 17745 1 1062 . 1 1 98 98 TRP NE1 N 15 128.54 0.20 . 1 . . . . 98 TRP NE1 . 17745 1 1063 . 1 1 99 99 LYS H H 1 8.49 0.03 . 1 . . . . 99 LYS H . 17745 1 1064 . 1 1 99 99 LYS HA H 1 3.47 0.03 . 1 . . . . 99 LYS HA . 17745 1 1065 . 1 1 99 99 LYS HB2 H 1 1.80 0.03 . 2 . . . . 99 LYS HB2 . 17745 1 1066 . 1 1 99 99 LYS HB3 H 1 1.80 0.03 . 2 . . . . 99 LYS HB3 . 17745 1 1067 . 1 1 99 99 LYS HG2 H 1 1.47 0.03 . 2 . . . . 99 LYS HG2 . 17745 1 1068 . 1 1 99 99 LYS HG3 H 1 1.52 0.03 . 2 . . . . 99 LYS HG3 . 17745 1 1069 . 1 1 99 99 LYS HD2 H 1 1.66 0.03 . 2 . . . . 99 LYS HD2 . 17745 1 1070 . 1 1 99 99 LYS HD3 H 1 1.76 0.03 . 2 . . . . 99 LYS HD3 . 17745 1 1071 . 1 1 99 99 LYS HE2 H 1 3.00 0.03 . 2 . . . . 99 LYS HE2 . 17745 1 1072 . 1 1 99 99 LYS HE3 H 1 3.00 0.03 . 2 . . . . 99 LYS HE3 . 17745 1 1073 . 1 1 99 99 LYS C C 13 179.14 0.20 . 1 . . . . 99 LYS C . 17745 1 1074 . 1 1 99 99 LYS CA C 13 58.86 0.20 . 1 . . . . 99 LYS CA . 17745 1 1075 . 1 1 99 99 LYS CB C 13 32.26 0.20 . 1 . . . . 99 LYS CB . 17745 1 1076 . 1 1 99 99 LYS CG C 13 24.52 0.20 . 1 . . . . 99 LYS CG . 17745 1 1077 . 1 1 99 99 LYS CD C 13 29.88 0.20 . 1 . . . . 99 LYS CD . 17745 1 1078 . 1 1 99 99 LYS CE C 13 41.65 0.20 . 1 . . . . 99 LYS CE . 17745 1 1079 . 1 1 99 99 LYS N N 15 117.04 0.20 . 1 . . . . 99 LYS N . 17745 1 1080 . 1 1 100 100 SER H H 1 7.61 0.03 . 1 . . . . 100 SER H . 17745 1 1081 . 1 1 100 100 SER HA H 1 4.33 0.03 . 1 . . . . 100 SER HA . 17745 1 1082 . 1 1 100 100 SER HB2 H 1 3.92 0.03 . 2 . . . . 100 SER HB2 . 17745 1 1083 . 1 1 100 100 SER HB3 H 1 3.92 0.03 . 2 . . . . 100 SER HB3 . 17745 1 1084 . 1 1 100 100 SER C C 13 175.02 0.20 . 1 . . . . 100 SER C . 17745 1 1085 . 1 1 100 100 SER CA C 13 60.51 0.20 . 1 . . . . 100 SER CA . 17745 1 1086 . 1 1 100 100 SER CB C 13 63.48 0.20 . 1 . . . . 100 SER CB . 17745 1 1087 . 1 1 100 100 SER N N 15 114.74 0.20 . 1 . . . . 100 SER N . 17745 1 1088 . 1 1 101 101 ASN H H 1 7.78 0.03 . 1 . . . . 101 ASN H . 17745 1 1089 . 1 1 101 101 ASN HA H 1 4.82 0.03 . 1 . . . . 101 ASN HA . 17745 1 1090 . 1 1 101 101 ASN HB2 H 1 2.71 0.03 . 2 . . . . 101 ASN HB2 . 17745 1 1091 . 1 1 101 101 ASN HB3 H 1 2.71 0.03 . 2 . . . . 101 ASN HB3 . 17745 1 1092 . 1 1 101 101 ASN C C 13 175.75 0.20 . 1 . . . . 101 ASN C . 17745 1 1093 . 1 1 101 101 ASN CA C 13 52.83 0.20 . 1 . . . . 101 ASN CA . 17745 1 1094 . 1 1 101 101 ASN CB C 13 39.51 0.20 . 1 . . . . 101 ASN CB . 17745 1 1095 . 1 1 101 101 ASN N N 15 118.32 0.20 . 1 . . . . 101 ASN N . 17745 1 1096 . 1 1 102 102 GLY H H 1 7.85 0.03 . 1 . . . . 102 GLY H . 17745 1 1097 . 1 1 102 102 GLY HA2 H 1 3.88 0.03 . 2 . . . . 102 GLY HA2 . 17745 1 1098 . 1 1 102 102 GLY HA3 H 1 4.09 0.03 . 2 . . . . 102 GLY HA3 . 17745 1 1099 . 1 1 102 102 GLY C C 13 174.40 0.20 . 1 . . . . 102 GLY C . 17745 1 1100 . 1 1 102 102 GLY CA C 13 46.31 0.20 . 1 . . . . 102 GLY CA . 17745 1 1101 . 1 1 102 102 GLY N N 15 108.19 0.20 . 1 . . . . 102 GLY N . 17745 1 1102 . 1 1 103 103 PHE H H 1 8.75 0.03 . 1 . . . . 103 PHE H . 17745 1 1103 . 1 1 103 103 PHE HA H 1 3.51 0.03 . 1 . . . . 103 PHE HA . 17745 1 1104 . 1 1 103 103 PHE HB2 H 1 2.96 0.03 . 2 . . . . 103 PHE HB2 . 17745 1 1105 . 1 1 103 103 PHE HB3 H 1 3.15 0.03 . 2 . . . . 103 PHE HB3 . 17745 1 1106 . 1 1 103 103 PHE HD1 H 1 7.28 0.03 . 1 . . . . 103 PHE HD1 . 17745 1 1107 . 1 1 103 103 PHE HD2 H 1 7.28 0.03 . 1 . . . . 103 PHE HD2 . 17745 1 1108 . 1 1 103 103 PHE HE1 H 1 6.98 0.03 . 1 . . . . 103 PHE HE1 . 17745 1 1109 . 1 1 103 103 PHE HE2 H 1 6.98 0.03 . 1 . . . . 103 PHE HE2 . 17745 1 1110 . 1 1 103 103 PHE HZ H 1 7.82 0.03 . 1 . . . . 103 PHE HZ . 17745 1 1111 . 1 1 103 103 PHE C C 13 174.12 0.20 . 1 . . . . 103 PHE C . 17745 1 1112 . 1 1 103 103 PHE CA C 13 59.80 0.20 . 1 . . . . 103 PHE CA . 17745 1 1113 . 1 1 103 103 PHE CB C 13 36.25 0.20 . 1 . . . . 103 PHE CB . 17745 1 1114 . 1 1 103 103 PHE N N 15 115.54 0.20 . 1 . . . . 103 PHE N . 17745 1 1115 . 1 1 104 104 VAL H H 1 7.27 0.03 . 1 . . . . 104 VAL H . 17745 1 1116 . 1 1 104 104 VAL HA H 1 4.37 0.03 . 1 . . . . 104 VAL HA . 17745 1 1117 . 1 1 104 104 VAL HB H 1 1.90 0.03 . 1 . . . . 104 VAL HB . 17745 1 1118 . 1 1 104 104 VAL HG11 H 1 0.82 0.03 . 2 . . . . 104 VAL MG1 . 17745 1 1119 . 1 1 104 104 VAL HG12 H 1 0.82 0.03 . 2 . . . . 104 VAL MG1 . 17745 1 1120 . 1 1 104 104 VAL HG13 H 1 0.82 0.03 . 2 . . . . 104 VAL MG1 . 17745 1 1121 . 1 1 104 104 VAL HG21 H 1 0.89 0.03 . 2 . . . . 104 VAL MG2 . 17745 1 1122 . 1 1 104 104 VAL HG22 H 1 0.89 0.03 . 2 . . . . 104 VAL MG2 . 17745 1 1123 . 1 1 104 104 VAL HG23 H 1 0.89 0.03 . 2 . . . . 104 VAL MG2 . 17745 1 1124 . 1 1 104 104 VAL C C 13 175.51 0.20 . 1 . . . . 104 VAL C . 17745 1 1125 . 1 1 104 104 VAL CA C 13 60.86 0.20 . 1 . . . . 104 VAL CA . 17745 1 1126 . 1 1 104 104 VAL CB C 13 33.90 0.20 . 1 . . . . 104 VAL CB . 17745 1 1127 . 1 1 104 104 VAL CG1 C 13 21.34 0.20 . 2 . . . . 104 VAL CG1 . 17745 1 1128 . 1 1 104 104 VAL CG2 C 13 19.60 0.20 . 2 . . . . 104 VAL CG2 . 17745 1 1129 . 1 1 104 104 VAL N N 15 114.61 0.20 . 1 . . . . 104 VAL N . 17745 1 1130 . 1 1 105 105 ASN H H 1 8.57 0.03 . 1 . . . . 105 ASN H . 17745 1 1131 . 1 1 105 105 ASN HA H 1 4.75 0.03 . 1 . . . . 105 ASN HA . 17745 1 1132 . 1 1 105 105 ASN HB2 H 1 2.83 0.03 . 2 . . . . 105 ASN HB2 . 17745 1 1133 . 1 1 105 105 ASN HB3 H 1 3.11 0.03 . 2 . . . . 105 ASN HB3 . 17745 1 1134 . 1 1 105 105 ASN CA C 13 51.81 0.20 . 1 . . . . 105 ASN CA . 17745 1 1135 . 1 1 105 105 ASN CB C 13 39.20 0.20 . 1 . . . . 105 ASN CB . 17745 1 1136 . 1 1 105 105 ASN N N 15 120.97 0.20 . 1 . . . . 105 ASN N . 17745 1 1137 . 1 1 108 108 LYS H H 1 8.77 0.03 . 1 . . . . 108 LYS H . 17745 1 1138 . 1 1 108 108 LYS HA H 1 3.99 0.03 . 1 . . . . 108 LYS HA . 17745 1 1139 . 1 1 108 108 LYS HB2 H 1 1.44 0.03 . 2 . . . . 108 LYS HB2 . 17745 1 1140 . 1 1 108 108 LYS HB3 H 1 1.62 0.03 . 2 . . . . 108 LYS HB3 . 17745 1 1141 . 1 1 108 108 LYS C C 13 179.84 0.20 . 1 . . . . 108 LYS C . 17745 1 1142 . 1 1 108 108 LYS CA C 13 59.08 0.20 . 1 . . . . 108 LYS CA . 17745 1 1143 . 1 1 108 108 LYS CB C 13 29.15 0.20 . 1 . . . . 108 LYS CB . 17745 1 1144 . 1 1 108 108 LYS CG C 13 22.86 0.20 . 1 . . . . 108 LYS CG . 17745 1 1145 . 1 1 108 108 LYS CE C 13 41.40 0.20 . 1 . . . . 108 LYS CE . 17745 1 1146 . 1 1 108 108 LYS N N 15 118.26 0.20 . 1 . . . . 108 LYS N . 17745 1 1147 . 1 1 109 109 LYS H H 1 7.87 0.03 . 1 . . . . 109 LYS H . 17745 1 1148 . 1 1 109 109 LYS CB C 13 29.28 0.20 . 1 . . . . 109 LYS CB . 17745 1 1149 . 1 1 109 109 LYS N N 15 114.48 0.20 . 1 . . . . 109 LYS N . 17745 1 1150 . 1 1 110 110 PRO HA H 1 4.44 0.03 . 1 . . . . 110 PRO HA . 17745 1 1151 . 1 1 110 110 PRO HB2 H 1 1.82 0.03 . 2 . . . . 110 PRO HB2 . 17745 1 1152 . 1 1 110 110 PRO HB3 H 1 2.22 0.03 . 2 . . . . 110 PRO HB3 . 17745 1 1153 . 1 1 110 110 PRO HG2 H 1 2.02 0.03 . 2 . . . . 110 PRO HG2 . 17745 1 1154 . 1 1 110 110 PRO HG3 H 1 1.91 0.03 . 2 . . . . 110 PRO HG3 . 17745 1 1155 . 1 1 110 110 PRO HD2 H 1 3.56 0.03 . 2 . . . . 110 PRO HD2 . 17745 1 1156 . 1 1 110 110 PRO HD3 H 1 3.56 0.03 . 2 . . . . 110 PRO HD3 . 17745 1 1157 . 1 1 110 110 PRO C C 13 176.71 0.20 . 1 . . . . 110 PRO C . 17745 1 1158 . 1 1 110 110 PRO CA C 13 63.10 0.20 . 1 . . . . 110 PRO CA . 17745 1 1159 . 1 1 110 110 PRO CB C 13 32.20 0.20 . 1 . . . . 110 PRO CB . 17745 1 1160 . 1 1 110 110 PRO CG C 13 27.49 0.20 . 1 . . . . 110 PRO CG . 17745 1 1161 . 1 1 110 110 PRO CD C 13 50.53 0.20 . 1 . . . . 110 PRO CD . 17745 1 1162 . 1 1 111 111 LEU H H 1 7.84 0.03 . 1 . . . . 111 LEU H . 17745 1 1163 . 1 1 111 111 LEU HA H 1 4.08 0.03 . 1 . . . . 111 LEU HA . 17745 1 1164 . 1 1 111 111 LEU HB2 H 1 1.11 0.03 . 2 . . . . 111 LEU HB2 . 17745 1 1165 . 1 1 111 111 LEU HB3 H 1 1.32 0.03 . 2 . . . . 111 LEU HB3 . 17745 1 1166 . 1 1 111 111 LEU HG H 1 1.14 0.03 . 1 . . . . 111 LEU HG . 17745 1 1167 . 1 1 111 111 LEU HD11 H 1 -0.02 0.03 . 2 . . . . 111 LEU MD1 . 17745 1 1168 . 1 1 111 111 LEU HD12 H 1 -0.02 0.03 . 2 . . . . 111 LEU MD1 . 17745 1 1169 . 1 1 111 111 LEU HD13 H 1 -0.02 0.03 . 2 . . . . 111 LEU MD1 . 17745 1 1170 . 1 1 111 111 LEU HD21 H 1 0.10 0.03 . 2 . . . . 111 LEU MD2 . 17745 1 1171 . 1 1 111 111 LEU HD22 H 1 0.10 0.03 . 2 . . . . 111 LEU MD2 . 17745 1 1172 . 1 1 111 111 LEU HD23 H 1 0.10 0.03 . 2 . . . . 111 LEU MD2 . 17745 1 1173 . 1 1 111 111 LEU C C 13 178.27 0.20 . 1 . . . . 111 LEU C . 17745 1 1174 . 1 1 111 111 LEU CA C 13 54.72 0.20 . 1 . . . . 111 LEU CA . 17745 1 1175 . 1 1 111 111 LEU CB C 13 42.89 0.20 . 1 . . . . 111 LEU CB . 17745 1 1176 . 1 1 111 111 LEU CG C 13 26.49 0.20 . 1 . . . . 111 LEU CG . 17745 1 1177 . 1 1 111 111 LEU CD1 C 13 24.11 0.20 . 2 . . . . 111 LEU CD1 . 17745 1 1178 . 1 1 111 111 LEU CD2 C 13 22.55 0.20 . 2 . . . . 111 LEU CD2 . 17745 1 1179 . 1 1 111 111 LEU N N 15 122.59 0.20 . 1 . . . . 111 LEU N . 17745 1 1180 . 1 1 112 112 LYS H H 1 7.99 0.03 . 1 . . . . 112 LYS H . 17745 1 1181 . 1 1 112 112 LYS HA H 1 4.12 0.03 . 1 . . . . 112 LYS HA . 17745 1 1182 . 1 1 112 112 LYS HB2 H 1 1.47 0.03 . 2 . . . . 112 LYS HB2 . 17745 1 1183 . 1 1 112 112 LYS HB3 H 1 1.47 0.03 . 2 . . . . 112 LYS HB3 . 17745 1 1184 . 1 1 112 112 LYS HG2 H 1 1.06 0.03 . 2 . . . . 112 LYS HG2 . 17745 1 1185 . 1 1 112 112 LYS HG3 H 1 1.27 0.03 . 2 . . . . 112 LYS HG3 . 17745 1 1186 . 1 1 112 112 LYS HD2 H 1 1.55 0.03 . 2 . . . . 112 LYS HD2 . 17745 1 1187 . 1 1 112 112 LYS HD3 H 1 1.55 0.03 . 2 . . . . 112 LYS HD3 . 17745 1 1188 . 1 1 112 112 LYS HE2 H 1 2.89 0.03 . 2 . . . . 112 LYS HE2 . 17745 1 1189 . 1 1 112 112 LYS HE3 H 1 2.89 0.03 . 2 . . . . 112 LYS HE3 . 17745 1 1190 . 1 1 112 112 LYS C C 13 175.79 0.20 . 1 . . . . 112 LYS C . 17745 1 1191 . 1 1 112 112 LYS CA C 13 56.04 0.20 . 1 . . . . 112 LYS CA . 17745 1 1192 . 1 1 112 112 LYS CB C 13 33.56 0.20 . 1 . . . . 112 LYS CB . 17745 1 1193 . 1 1 112 112 LYS CG C 13 24.52 0.20 . 1 . . . . 112 LYS CG . 17745 1 1194 . 1 1 112 112 LYS CD C 13 29.38 0.20 . 1 . . . . 112 LYS CD . 17745 1 1195 . 1 1 112 112 LYS CE C 13 41.65 0.20 . 1 . . . . 112 LYS CE . 17745 1 1196 . 1 1 112 112 LYS N N 15 122.61 0.20 . 1 . . . . 112 LYS N . 17745 1 1197 . 1 1 113 113 HIS H H 1 8.38 0.03 . 1 . . . . 113 HIS H . 17745 1 1198 . 1 1 113 113 HIS HA H 1 4.47 0.03 . 1 . . . . 113 HIS HA . 17745 1 1199 . 1 1 113 113 HIS HB2 H 1 2.89 0.03 . 2 . . . . 113 HIS HB2 . 17745 1 1200 . 1 1 113 113 HIS HB3 H 1 3.49 0.03 . 2 . . . . 113 HIS HB3 . 17745 1 1201 . 1 1 113 113 HIS HD2 H 1 7.17 0.03 . 1 . . . . 113 HIS HD2 . 17745 1 1202 . 1 1 113 113 HIS C C 13 177.19 0.20 . 1 . . . . 113 HIS C . 17745 1 1203 . 1 1 113 113 HIS CA C 13 56.06 0.20 . 1 . . . . 113 HIS CA . 17745 1 1204 . 1 1 113 113 HIS CB C 13 28.61 0.20 . 1 . . . . 113 HIS CB . 17745 1 1205 . 1 1 113 113 HIS N N 15 115.05 0.20 . 1 . . . . 113 HIS N . 17745 1 1206 . 1 1 114 114 ILE H H 1 7.65 0.03 . 1 . . . . 114 ILE H . 17745 1 1207 . 1 1 114 114 ILE HA H 1 3.66 0.03 . 1 . . . . 114 ILE HA . 17745 1 1208 . 1 1 114 114 ILE HB H 1 2.05 0.03 . 1 . . . . 114 ILE HB . 17745 1 1209 . 1 1 114 114 ILE HG12 H 1 1.41 0.03 . 2 . . . . 114 ILE HG12 . 17745 1 1210 . 1 1 114 114 ILE HG13 H 1 1.41 0.03 . 2 . . . . 114 ILE HG13 . 17745 1 1211 . 1 1 114 114 ILE HG21 H 1 0.90 0.03 . 1 . . . . 114 ILE MG . 17745 1 1212 . 1 1 114 114 ILE HG22 H 1 0.90 0.03 . 1 . . . . 114 ILE MG . 17745 1 1213 . 1 1 114 114 ILE HG23 H 1 0.90 0.03 . 1 . . . . 114 ILE MG . 17745 1 1214 . 1 1 114 114 ILE HD11 H 1 0.97 0.03 . 1 . . . . 114 ILE MD . 17745 1 1215 . 1 1 114 114 ILE HD12 H 1 0.97 0.03 . 1 . . . . 114 ILE MD . 17745 1 1216 . 1 1 114 114 ILE HD13 H 1 0.97 0.03 . 1 . . . . 114 ILE MD . 17745 1 1217 . 1 1 114 114 ILE C C 13 176.35 0.20 . 1 . . . . 114 ILE C . 17745 1 1218 . 1 1 114 114 ILE CA C 13 66.09 0.20 . 1 . . . . 114 ILE CA . 17745 1 1219 . 1 1 114 114 ILE CB C 13 37.58 0.20 . 1 . . . . 114 ILE CB . 17745 1 1220 . 1 1 114 114 ILE CG1 C 13 29.52 0.20 . 1 . . . . 114 ILE CG1 . 17745 1 1221 . 1 1 114 114 ILE CG2 C 13 16.70 0.20 . 1 . . . . 114 ILE CG2 . 17745 1 1222 . 1 1 114 114 ILE CD1 C 13 14.45 0.20 . 1 . . . . 114 ILE CD1 . 17745 1 1223 . 1 1 114 114 ILE N N 15 118.19 0.20 . 1 . . . . 114 ILE N . 17745 1 1224 . 1 1 115 115 SER H H 1 8.47 0.03 . 1 . . . . 115 SER H . 17745 1 1225 . 1 1 115 115 SER HA H 1 3.99 0.03 . 1 . . . . 115 SER HA . 17745 1 1226 . 1 1 115 115 SER HB2 H 1 3.85 0.03 . 2 . . . . 115 SER HB2 . 17745 1 1227 . 1 1 115 115 SER HB3 H 1 3.85 0.03 . 2 . . . . 115 SER HB3 . 17745 1 1228 . 1 1 115 115 SER C C 13 177.79 0.20 . 1 . . . . 115 SER C . 17745 1 1229 . 1 1 115 115 SER CA C 13 62.08 0.20 . 1 . . . . 115 SER CA . 17745 1 1230 . 1 1 115 115 SER CB C 13 62.00 0.20 . 1 . . . . 115 SER CB . 17745 1 1231 . 1 1 115 115 SER N N 15 115.07 0.20 . 1 . . . . 115 SER N . 17745 1 1232 . 1 1 116 116 LYS H H 1 7.51 0.03 . 1 . . . . 116 LYS H . 17745 1 1233 . 1 1 116 116 LYS HA H 1 4.07 0.03 . 1 . . . . 116 LYS HA . 17745 1 1234 . 1 1 116 116 LYS HB2 H 1 1.81 0.03 . 2 . . . . 116 LYS HB2 . 17745 1 1235 . 1 1 116 116 LYS HB3 H 1 1.81 0.03 . 2 . . . . 116 LYS HB3 . 17745 1 1236 . 1 1 116 116 LYS HG2 H 1 1.45 0.03 . 2 . . . . 116 LYS HG2 . 17745 1 1237 . 1 1 116 116 LYS HG3 H 1 1.45 0.03 . 2 . . . . 116 LYS HG3 . 17745 1 1238 . 1 1 116 116 LYS HE2 H 1 2.87 0.03 . 2 . . . . 116 LYS HE2 . 17745 1 1239 . 1 1 116 116 LYS HE3 H 1 2.87 0.03 . 2 . . . . 116 LYS HE3 . 17745 1 1240 . 1 1 116 116 LYS C C 13 178.65 0.20 . 1 . . . . 116 LYS C . 17745 1 1241 . 1 1 116 116 LYS CA C 13 57.65 0.20 . 1 . . . . 116 LYS CA . 17745 1 1242 . 1 1 116 116 LYS CB C 13 32.29 0.20 . 1 . . . . 116 LYS CB . 17745 1 1243 . 1 1 116 116 LYS CG C 13 24.55 0.20 . 1 . . . . 116 LYS CG . 17745 1 1244 . 1 1 116 116 LYS CD C 13 28.63 0.20 . 1 . . . . 116 LYS CD . 17745 1 1245 . 1 1 116 116 LYS CE C 13 41.96 0.20 . 1 . . . . 116 LYS CE . 17745 1 1246 . 1 1 116 116 LYS N N 15 121.10 0.20 . 1 . . . . 116 LYS N . 17745 1 1247 . 1 1 117 117 TRP H H 1 8.26 0.03 . 1 . . . . 117 TRP H . 17745 1 1248 . 1 1 117 117 TRP HA H 1 4.87 0.03 . 1 . . . . 117 TRP HA . 17745 1 1249 . 1 1 117 117 TRP HB2 H 1 3.12 0.03 . 2 . . . . 117 TRP HB2 . 17745 1 1250 . 1 1 117 117 TRP HB3 H 1 3.46 0.03 . 2 . . . . 117 TRP HB3 . 17745 1 1251 . 1 1 117 117 TRP HD1 H 1 7.41 0.03 . 1 . . . . 117 TRP HD1 . 17745 1 1252 . 1 1 117 117 TRP HE1 H 1 10.18 0.03 . 1 . . . . 117 TRP HE1 . 17745 1 1253 . 1 1 117 117 TRP HE3 H 1 7.61 0.03 . 1 . . . . 117 TRP HE3 . 17745 1 1254 . 1 1 117 117 TRP HZ2 H 1 7.16 0.03 . 1 . . . . 117 TRP HZ2 . 17745 1 1255 . 1 1 117 117 TRP HZ3 H 1 6.83 0.03 . 1 . . . . 117 TRP HZ3 . 17745 1 1256 . 1 1 117 117 TRP HH2 H 1 7.16 0.03 . 1 . . . . 117 TRP HH2 . 17745 1 1257 . 1 1 117 117 TRP C C 13 179.08 0.20 . 1 . . . . 117 TRP C . 17745 1 1258 . 1 1 117 117 TRP CA C 13 60.35 0.20 . 1 . . . . 117 TRP CA . 17745 1 1259 . 1 1 117 117 TRP CB C 13 30.47 0.20 . 1 . . . . 117 TRP CB . 17745 1 1260 . 1 1 117 117 TRP N N 15 119.76 0.20 . 1 . . . . 117 TRP N . 17745 1 1261 . 1 1 117 117 TRP NE1 N 15 128.35 0.20 . 1 . . . . 117 TRP NE1 . 17745 1 1262 . 1 1 118 118 LYS H H 1 8.68 0.03 . 1 . . . . 118 LYS H . 17745 1 1263 . 1 1 118 118 LYS HA H 1 3.67 0.03 . 1 . . . . 118 LYS HA . 17745 1 1264 . 1 1 118 118 LYS HB2 H 1 1.46 0.03 . 2 . . . . 118 LYS HB2 . 17745 1 1265 . 1 1 118 118 LYS HB3 H 1 1.58 0.03 . 2 . . . . 118 LYS HB3 . 17745 1 1266 . 1 1 118 118 LYS HD2 H 1 1.34 0.03 . 2 . . . . 118 LYS HD2 . 17745 1 1267 . 1 1 118 118 LYS HD3 H 1 1.34 0.03 . 2 . . . . 118 LYS HD3 . 17745 1 1268 . 1 1 118 118 LYS HE2 H 1 2.66 0.03 . 2 . . . . 118 LYS HE2 . 17745 1 1269 . 1 1 118 118 LYS HE3 H 1 2.54 0.03 . 2 . . . . 118 LYS HE3 . 17745 1 1270 . 1 1 118 118 LYS C C 13 179.05 0.20 . 1 . . . . 118 LYS C . 17745 1 1271 . 1 1 118 118 LYS CA C 13 60.23 0.20 . 1 . . . . 118 LYS CA . 17745 1 1272 . 1 1 118 118 LYS CB C 13 32.33 0.20 . 1 . . . . 118 LYS CB . 17745 1 1273 . 1 1 118 118 LYS CG C 13 25.32 0.20 . 1 . . . . 118 LYS CG . 17745 1 1274 . 1 1 118 118 LYS CD C 13 29.81 0.20 . 1 . . . . 118 LYS CD . 17745 1 1275 . 1 1 118 118 LYS CE C 13 41.64 0.20 . 1 . . . . 118 LYS CE . 17745 1 1276 . 1 1 118 118 LYS N N 15 118.79 0.20 . 1 . . . . 118 LYS N . 17745 1 1277 . 1 1 119 119 SER H H 1 7.18 0.03 . 1 . . . . 119 SER H . 17745 1 1278 . 1 1 119 119 SER HA H 1 4.35 0.03 . 1 . . . . 119 SER HA . 17745 1 1279 . 1 1 119 119 SER HB2 H 1 3.92 0.03 . 2 . . . . 119 SER HB2 . 17745 1 1280 . 1 1 119 119 SER HB3 H 1 4.07 0.03 . 2 . . . . 119 SER HB3 . 17745 1 1281 . 1 1 119 119 SER C C 13 178.10 0.20 . 1 . . . . 119 SER C . 17745 1 1282 . 1 1 119 119 SER CA C 13 60.13 0.20 . 1 . . . . 119 SER CA . 17745 1 1283 . 1 1 119 119 SER CB C 13 63.02 0.20 . 1 . . . . 119 SER CB . 17745 1 1284 . 1 1 119 119 SER N N 15 113.66 0.20 . 1 . . . . 119 SER N . 17745 1 1285 . 1 1 120 120 ILE H H 1 8.62 0.03 . 1 . . . . 120 ILE H . 17745 1 1286 . 1 1 120 120 ILE HA H 1 3.50 0.03 . 1 . . . . 120 ILE HA . 17745 1 1287 . 1 1 120 120 ILE HB H 1 2.11 0.03 . 1 . . . . 120 ILE HB . 17745 1 1288 . 1 1 120 120 ILE HG12 H 1 1.77 0.03 . 2 . . . . 120 ILE HG12 . 17745 1 1289 . 1 1 120 120 ILE HG13 H 1 1.77 0.03 . 2 . . . . 120 ILE HG13 . 17745 1 1290 . 1 1 120 120 ILE HG21 H 1 1.01 0.03 . 1 . . . . 120 ILE MG . 17745 1 1291 . 1 1 120 120 ILE HG22 H 1 1.01 0.03 . 1 . . . . 120 ILE MG . 17745 1 1292 . 1 1 120 120 ILE HG23 H 1 1.01 0.03 . 1 . . . . 120 ILE MG . 17745 1 1293 . 1 1 120 120 ILE HD11 H 1 0.42 0.03 . 1 . . . . 120 ILE MD . 17745 1 1294 . 1 1 120 120 ILE HD12 H 1 0.42 0.03 . 1 . . . . 120 ILE MD . 17745 1 1295 . 1 1 120 120 ILE HD13 H 1 0.42 0.03 . 1 . . . . 120 ILE MD . 17745 1 1296 . 1 1 120 120 ILE C C 13 177.68 0.20 . 1 . . . . 120 ILE C . 17745 1 1297 . 1 1 120 120 ILE CA C 13 67.30 0.20 . 1 . . . . 120 ILE CA . 17745 1 1298 . 1 1 120 120 ILE CB C 13 38.56 0.20 . 1 . . . . 120 ILE CB . 17745 1 1299 . 1 1 120 120 ILE CG1 C 13 30.75 0.20 . 1 . . . . 120 ILE CG1 . 17745 1 1300 . 1 1 120 120 ILE CG2 C 13 16.56 0.20 . 1 . . . . 120 ILE CG2 . 17745 1 1301 . 1 1 120 120 ILE CD1 C 13 13.73 0.20 . 1 . . . . 120 ILE CD1 . 17745 1 1302 . 1 1 120 120 ILE N N 15 121.40 0.20 . 1 . . . . 120 ILE N . 17745 1 1303 . 1 1 121 121 ALA H H 1 9.08 0.03 . 1 . . . . 121 ALA H . 17745 1 1304 . 1 1 121 121 ALA HA H 1 4.10 0.03 . 1 . . . . 121 ALA HA . 17745 1 1305 . 1 1 121 121 ALA HB1 H 1 1.86 0.03 . 1 . . . . 121 ALA MB . 17745 1 1306 . 1 1 121 121 ALA HB2 H 1 1.86 0.03 . 1 . . . . 121 ALA MB . 17745 1 1307 . 1 1 121 121 ALA HB3 H 1 1.86 0.03 . 1 . . . . 121 ALA MB . 17745 1 1308 . 1 1 121 121 ALA C C 13 180.52 0.20 . 1 . . . . 121 ALA C . 17745 1 1309 . 1 1 121 121 ALA CA C 13 55.74 0.20 . 1 . . . . 121 ALA CA . 17745 1 1310 . 1 1 121 121 ALA CB C 13 18.26 0.20 . 1 . . . . 121 ALA CB . 17745 1 1311 . 1 1 121 121 ALA N N 15 120.10 0.20 . 1 . . . . 121 ALA N . 17745 1 1312 . 1 1 122 122 GLU H H 1 8.23 0.03 . 1 . . . . 122 GLU H . 17745 1 1313 . 1 1 122 122 GLU HA H 1 4.16 0.03 . 1 . . . . 122 GLU HA . 17745 1 1314 . 1 1 122 122 GLU HB2 H 1 2.29 0.03 . 2 . . . . 122 GLU HB2 . 17745 1 1315 . 1 1 122 122 GLU HB3 H 1 2.36 0.03 . 2 . . . . 122 GLU HB3 . 17745 1 1316 . 1 1 122 122 GLU HG2 H 1 2.36 0.03 . 2 . . . . 122 GLU HG2 . 17745 1 1317 . 1 1 122 122 GLU HG3 H 1 2.45 0.03 . 2 . . . . 122 GLU HG3 . 17745 1 1318 . 1 1 122 122 GLU C C 13 179.69 0.20 . 1 . . . . 122 GLU C . 17745 1 1319 . 1 1 122 122 GLU CA C 13 59.68 0.20 . 1 . . . . 122 GLU CA . 17745 1 1320 . 1 1 122 122 GLU CB C 13 29.41 0.20 . 1 . . . . 122 GLU CB . 17745 1 1321 . 1 1 122 122 GLU CG C 13 36.48 0.20 . 1 . . . . 122 GLU CG . 17745 1 1322 . 1 1 122 122 GLU N N 15 120.22 0.20 . 1 . . . . 122 GLU N . 17745 1 1323 . 1 1 123 123 CYS H H 1 8.23 0.03 . 1 . . . . 123 CYS H . 17745 1 1324 . 1 1 123 123 CYS HA H 1 4.10 0.03 . 1 . . . . 123 CYS HA . 17745 1 1325 . 1 1 123 123 CYS HB2 H 1 2.30 0.03 . 2 . . . . 123 CYS HB2 . 17745 1 1326 . 1 1 123 123 CYS HB3 H 1 3.29 0.03 . 2 . . . . 123 CYS HB3 . 17745 1 1327 . 1 1 123 123 CYS C C 13 175.93 0.20 . 1 . . . . 123 CYS C . 17745 1 1328 . 1 1 123 123 CYS CA C 13 64.52 0.20 . 1 . . . . 123 CYS CA . 17745 1 1329 . 1 1 123 123 CYS CB C 13 26.70 0.20 . 1 . . . . 123 CYS CB . 17745 1 1330 . 1 1 123 123 CYS N N 15 118.62 0.20 . 1 . . . . 123 CYS N . 17745 1 1331 . 1 1 124 124 LEU H H 1 8.25 0.03 . 1 . . . . 124 LEU H . 17745 1 1332 . 1 1 124 124 LEU HA H 1 4.19 0.03 . 1 . . . . 124 LEU HA . 17745 1 1333 . 1 1 124 124 LEU HB2 H 1 1.66 0.03 . 2 . . . . 124 LEU HB2 . 17745 1 1334 . 1 1 124 124 LEU HB3 H 1 1.75 0.03 . 2 . . . . 124 LEU HB3 . 17745 1 1335 . 1 1 124 124 LEU HG H 1 1.96 0.03 . 1 . . . . 124 LEU HG . 17745 1 1336 . 1 1 124 124 LEU HD11 H 1 0.89 0.03 . 2 . . . . 124 LEU MD1 . 17745 1 1337 . 1 1 124 124 LEU HD12 H 1 0.89 0.03 . 2 . . . . 124 LEU MD1 . 17745 1 1338 . 1 1 124 124 LEU HD13 H 1 0.89 0.03 . 2 . . . . 124 LEU MD1 . 17745 1 1339 . 1 1 124 124 LEU HD21 H 1 0.89 0.03 . 2 . . . . 124 LEU MD2 . 17745 1 1340 . 1 1 124 124 LEU HD22 H 1 0.89 0.03 . 2 . . . . 124 LEU MD2 . 17745 1 1341 . 1 1 124 124 LEU HD23 H 1 0.89 0.03 . 2 . . . . 124 LEU MD2 . 17745 1 1342 . 1 1 124 124 LEU C C 13 179.20 0.20 . 1 . . . . 124 LEU C . 17745 1 1343 . 1 1 124 124 LEU CA C 13 56.95 0.20 . 1 . . . . 124 LEU CA . 17745 1 1344 . 1 1 124 124 LEU CB C 13 41.17 0.20 . 1 . . . . 124 LEU CB . 17745 1 1345 . 1 1 124 124 LEU CG C 13 27.66 0.20 . 1 . . . . 124 LEU CG . 17745 1 1346 . 1 1 124 124 LEU CD1 C 13 25.59 0.20 . 2 . . . . 124 LEU CD1 . 17745 1 1347 . 1 1 124 124 LEU CD2 C 13 22.96 0.20 . 2 . . . . 124 LEU CD2 . 17745 1 1348 . 1 1 124 124 LEU N N 15 117.69 0.20 . 1 . . . . 124 LEU N . 17745 1 1349 . 1 1 125 125 SER H H 1 7.88 0.03 . 1 . . . . 125 SER H . 17745 1 1350 . 1 1 125 125 SER HA H 1 4.26 0.03 . 1 . . . . 125 SER HA . 17745 1 1351 . 1 1 125 125 SER HB2 H 1 3.99 0.03 . 2 . . . . 125 SER HB2 . 17745 1 1352 . 1 1 125 125 SER HB3 H 1 3.99 0.03 . 2 . . . . 125 SER HB3 . 17745 1 1353 . 1 1 125 125 SER C C 13 176.00 0.20 . 1 . . . . 125 SER C . 17745 1 1354 . 1 1 125 125 SER CA C 13 60.91 0.20 . 1 . . . . 125 SER CA . 17745 1 1355 . 1 1 125 125 SER CB C 13 63.19 0.20 . 1 . . . . 125 SER CB . 17745 1 1356 . 1 1 125 125 SER N N 15 113.77 0.20 . 1 . . . . 125 SER N . 17745 1 1357 . 1 1 126 126 MET H H 1 7.71 0.03 . 1 . . . . 126 MET H . 17745 1 1358 . 1 1 126 126 MET HA H 1 4.25 0.03 . 1 . . . . 126 MET HA . 17745 1 1359 . 1 1 126 126 MET HB2 H 1 2.13 0.03 . 2 . . . . 126 MET HB2 . 17745 1 1360 . 1 1 126 126 MET HB3 H 1 2.13 0.03 . 2 . . . . 126 MET HB3 . 17745 1 1361 . 1 1 126 126 MET HG2 H 1 2.80 0.03 . 2 . . . . 126 MET HG2 . 17745 1 1362 . 1 1 126 126 MET HG3 H 1 2.80 0.03 . 2 . . . . 126 MET HG3 . 17745 1 1363 . 1 1 126 126 MET C C 13 176.45 0.20 . 1 . . . . 126 MET C . 17745 1 1364 . 1 1 126 126 MET CA C 13 57.61 0.20 . 1 . . . . 126 MET CA . 17745 1 1365 . 1 1 126 126 MET CB C 13 33.91 0.20 . 1 . . . . 126 MET CB . 17745 1 1366 . 1 1 126 126 MET CG C 13 32.42 0.20 . 1 . . . . 126 MET CG . 17745 1 1367 . 1 1 126 126 MET N N 15 119.82 0.20 . 1 . . . . 126 MET N . 17745 1 1368 . 1 1 127 127 LYS H H 1 8.29 0.03 . 1 . . . . 127 LYS H . 17745 1 1369 . 1 1 127 127 LYS HA H 1 4.58 0.03 . 1 . . . . 127 LYS HA . 17745 1 1370 . 1 1 127 127 LYS HB2 H 1 1.85 0.03 . 2 . . . . 127 LYS HB2 . 17745 1 1371 . 1 1 127 127 LYS HB3 H 1 1.92 0.03 . 2 . . . . 127 LYS HB3 . 17745 1 1372 . 1 1 127 127 LYS HG2 H 1 1.33 0.03 . 2 . . . . 127 LYS HG2 . 17745 1 1373 . 1 1 127 127 LYS HG3 H 1 1.44 0.03 . 2 . . . . 127 LYS HG3 . 17745 1 1374 . 1 1 127 127 LYS HD2 H 1 1.66 0.03 . 2 . . . . 127 LYS HD2 . 17745 1 1375 . 1 1 127 127 LYS HD3 H 1 1.72 0.03 . 2 . . . . 127 LYS HD3 . 17745 1 1376 . 1 1 127 127 LYS HE2 H 1 3.00 0.03 . 2 . . . . 127 LYS HE2 . 17745 1 1377 . 1 1 127 127 LYS HE3 H 1 3.00 0.03 . 2 . . . . 127 LYS HE3 . 17745 1 1378 . 1 1 127 127 LYS CA C 13 54.32 0.20 . 1 . . . . 127 LYS CA . 17745 1 1379 . 1 1 127 127 LYS CB C 13 33.94 0.20 . 1 . . . . 127 LYS CB . 17745 1 1380 . 1 1 127 127 LYS CG C 13 24.94 0.20 . 1 . . . . 127 LYS CG . 17745 1 1381 . 1 1 127 127 LYS CD C 13 28.82 0.20 . 1 . . . . 127 LYS CD . 17745 1 1382 . 1 1 127 127 LYS CE C 13 41.89 0.20 . 1 . . . . 127 LYS CE . 17745 1 1383 . 1 1 127 127 LYS N N 15 121.88 0.20 . 1 . . . . 127 LYS N . 17745 1 1384 . 1 1 128 128 PRO HA H 1 4.86 0.03 . 1 . . . . 128 PRO HA . 17745 1 1385 . 1 1 128 128 PRO HB2 H 1 2.02 0.03 . 2 . . . . 128 PRO HB2 . 17745 1 1386 . 1 1 128 128 PRO HB3 H 1 2.46 0.03 . 2 . . . . 128 PRO HB3 . 17745 1 1387 . 1 1 128 128 PRO HG2 H 1 1.96 0.03 . 2 . . . . 128 PRO HG2 . 17745 1 1388 . 1 1 128 128 PRO HG3 H 1 1.96 0.03 . 2 . . . . 128 PRO HG3 . 17745 1 1389 . 1 1 128 128 PRO HD2 H 1 3.38 0.03 . 2 . . . . 128 PRO HD2 . 17745 1 1390 . 1 1 128 128 PRO HD3 H 1 3.80 0.03 . 2 . . . . 128 PRO HD3 . 17745 1 1391 . 1 1 128 128 PRO C C 13 177.12 0.20 . 1 . . . . 128 PRO C . 17745 1 1392 . 1 1 128 128 PRO CA C 13 63.81 0.20 . 1 . . . . 128 PRO CA . 17745 1 1393 . 1 1 128 128 PRO CB C 13 32.18 0.20 . 1 . . . . 128 PRO CB . 17745 1 1394 . 1 1 128 128 PRO CG C 13 27.06 0.20 . 1 . . . . 128 PRO CG . 17745 1 1395 . 1 1 128 128 PRO CD C 13 50.53 0.20 . 1 . . . . 128 PRO CD . 17745 1 1396 . 1 1 129 129 ASP H H 1 8.01 0.03 . 1 . . . . 129 ASP H . 17745 1 1397 . 1 1 129 129 ASP HA H 1 4.70 0.03 . 1 . . . . 129 ASP HA . 17745 1 1398 . 1 1 129 129 ASP HB2 H 1 2.51 0.03 . 2 . . . . 129 ASP HB2 . 17745 1 1399 . 1 1 129 129 ASP HB3 H 1 2.98 0.03 . 2 . . . . 129 ASP HB3 . 17745 1 1400 . 1 1 129 129 ASP C C 13 177.20 0.20 . 1 . . . . 129 ASP C . 17745 1 1401 . 1 1 129 129 ASP CA C 13 52.95 0.20 . 1 . . . . 129 ASP CA . 17745 1 1402 . 1 1 129 129 ASP CB C 13 38.15 0.20 . 1 . . . . 129 ASP CB . 17745 1 1403 . 1 1 129 129 ASP N N 15 115.27 0.20 . 1 . . . . 129 ASP N . 17745 1 1404 . 1 1 130 130 ILE H H 1 7.26 0.03 . 1 . . . . 130 ILE H . 17745 1 1405 . 1 1 130 130 ILE HA H 1 4.76 0.03 . 1 . . . . 130 ILE HA . 17745 1 1406 . 1 1 130 130 ILE HB H 1 1.80 0.03 . 1 . . . . 130 ILE HB . 17745 1 1407 . 1 1 130 130 ILE HG12 H 1 1.87 0.03 . 2 . . . . 130 ILE HG12 . 17745 1 1408 . 1 1 130 130 ILE HG13 H 1 0.48 0.03 . 2 . . . . 130 ILE HG13 . 17745 1 1409 . 1 1 130 130 ILE HG21 H 1 0.69 0.03 . 1 . . . . 130 ILE MG . 17745 1 1410 . 1 1 130 130 ILE HG22 H 1 0.69 0.03 . 1 . . . . 130 ILE MG . 17745 1 1411 . 1 1 130 130 ILE HG23 H 1 0.69 0.03 . 1 . . . . 130 ILE MG . 17745 1 1412 . 1 1 130 130 ILE HD11 H 1 0.88 0.03 . 1 . . . . 130 ILE MD . 17745 1 1413 . 1 1 130 130 ILE HD12 H 1 0.88 0.03 . 1 . . . . 130 ILE MD . 17745 1 1414 . 1 1 130 130 ILE HD13 H 1 0.88 0.03 . 1 . . . . 130 ILE MD . 17745 1 1415 . 1 1 130 130 ILE C C 13 175.61 0.20 . 1 . . . . 130 ILE C . 17745 1 1416 . 1 1 130 130 ILE CA C 13 62.53 0.20 . 1 . . . . 130 ILE CA . 17745 1 1417 . 1 1 130 130 ILE CB C 13 39.14 0.20 . 1 . . . . 130 ILE CB . 17745 1 1418 . 1 1 130 130 ILE CG1 C 13 28.51 0.20 . 1 . . . . 130 ILE CG1 . 17745 1 1419 . 1 1 130 130 ILE CG2 C 13 18.37 0.20 . 1 . . . . 130 ILE CG2 . 17745 1 1420 . 1 1 130 130 ILE CD1 C 13 15.18 0.20 . 1 . . . . 130 ILE CD1 . 17745 1 1421 . 1 1 130 130 ILE N N 15 120.72 0.20 . 1 . . . . 130 ILE N . 17745 1 1422 . 1 1 131 131 THR H H 1 8.94 0.03 . 1 . . . . 131 THR H . 17745 1 1423 . 1 1 131 131 THR HA H 1 4.56 0.03 . 1 . . . . 131 THR HA . 17745 1 1424 . 1 1 131 131 THR HB H 1 3.98 0.03 . 1 . . . . 131 THR HB . 17745 1 1425 . 1 1 131 131 THR HG21 H 1 1.23 0.03 . 1 . . . . 131 THR MG . 17745 1 1426 . 1 1 131 131 THR HG22 H 1 1.23 0.03 . 1 . . . . 131 THR MG . 17745 1 1427 . 1 1 131 131 THR HG23 H 1 1.23 0.03 . 1 . . . . 131 THR MG . 17745 1 1428 . 1 1 131 131 THR C C 13 172.48 0.20 . 1 . . . . 131 THR C . 17745 1 1429 . 1 1 131 131 THR CA C 13 61.60 0.20 . 1 . . . . 131 THR CA . 17745 1 1430 . 1 1 131 131 THR CB C 13 71.31 0.20 . 1 . . . . 131 THR CB . 17745 1 1431 . 1 1 131 131 THR CG2 C 13 21.72 0.02 . 1 . . . . 131 THR CG2 . 17745 1 1432 . 1 1 131 131 THR N N 15 124.50 0.20 . 1 . . . . 131 THR N . 17745 1 1433 . 1 1 132 132 ILE H H 1 9.32 0.03 . 1 . . . . 132 ILE H . 17745 1 1434 . 1 1 132 132 ILE HA H 1 5.03 0.03 . 1 . . . . 132 ILE HA . 17745 1 1435 . 1 1 132 132 ILE HB H 1 1.61 0.03 . 1 . . . . 132 ILE HB . 17745 1 1436 . 1 1 132 132 ILE HG12 H 1 1.51 0.03 . 2 . . . . 132 ILE HG12 . 17745 1 1437 . 1 1 132 132 ILE HG13 H 1 1.51 0.03 . 2 . . . . 132 ILE HG13 . 17745 1 1438 . 1 1 132 132 ILE HG21 H 1 0.68 0.03 . 1 . . . . 132 ILE MG . 17745 1 1439 . 1 1 132 132 ILE HG22 H 1 0.68 0.03 . 1 . . . . 132 ILE MG . 17745 1 1440 . 1 1 132 132 ILE HG23 H 1 0.68 0.03 . 1 . . . . 132 ILE MG . 17745 1 1441 . 1 1 132 132 ILE HD11 H 1 0.68 0.03 . 1 . . . . 132 ILE MD . 17745 1 1442 . 1 1 132 132 ILE HD12 H 1 0.68 0.03 . 1 . . . . 132 ILE MD . 17745 1 1443 . 1 1 132 132 ILE HD13 H 1 0.68 0.03 . 1 . . . . 132 ILE MD . 17745 1 1444 . 1 1 132 132 ILE C C 13 175.15 0.20 . 1 . . . . 132 ILE C . 17745 1 1445 . 1 1 132 132 ILE CA C 13 60.22 0.20 . 1 . . . . 132 ILE CA . 17745 1 1446 . 1 1 132 132 ILE CB C 13 39.01 0.20 . 1 . . . . 132 ILE CB . 17745 1 1447 . 1 1 132 132 ILE CG1 C 13 27.78 0.20 . 1 . . . . 132 ILE CG1 . 17745 1 1448 . 1 1 132 132 ILE CG2 C 13 16.84 0.20 . 1 . . . . 132 ILE CG2 . 17745 1 1449 . 1 1 132 132 ILE CD1 C 13 13.80 0.20 . 1 . . . . 132 ILE CD1 . 17745 1 1450 . 1 1 132 132 ILE N N 15 128.02 0.20 . 1 . . . . 132 ILE N . 17745 1 1451 . 1 1 133 133 GLN H H 1 9.35 0.03 . 1 . . . . 133 GLN H . 17745 1 1452 . 1 1 133 133 GLN HA H 1 4.76 0.03 . 1 . . . . 133 GLN HA . 17745 1 1453 . 1 1 133 133 GLN HB2 H 1 1.76 0.03 . 2 . . . . 133 GLN HB2 . 17745 1 1454 . 1 1 133 133 GLN HB3 H 1 1.85 0.03 . 2 . . . . 133 GLN HB3 . 17745 1 1455 . 1 1 133 133 GLN HG2 H 1 2.24 0.03 . 2 . . . . 133 GLN HG2 . 17745 1 1456 . 1 1 133 133 GLN HG3 H 1 2.24 0.03 . 2 . . . . 133 GLN HG3 . 17745 1 1457 . 1 1 133 133 GLN C C 13 173.02 0.20 . 1 . . . . 133 GLN C . 17745 1 1458 . 1 1 133 133 GLN CA C 13 54.14 0.20 . 1 . . . . 133 GLN CA . 17745 1 1459 . 1 1 133 133 GLN CB C 13 34.81 0.20 . 1 . . . . 133 GLN CB . 17745 1 1460 . 1 1 133 133 GLN CG C 13 34.81 0.20 . 1 . . . . 133 GLN CG . 17745 1 1461 . 1 1 133 133 GLN N N 15 128.87 0.20 . 1 . . . . 133 GLN N . 17745 1 1462 . 1 1 134 134 HIS H H 1 8.76 0.03 . 1 . . . . 134 HIS H . 17745 1 1463 . 1 1 134 134 HIS HA H 1 5.24 0.03 . 1 . . . . 134 HIS HA . 17745 1 1464 . 1 1 134 134 HIS HB2 H 1 2.92 0.03 . 2 . . . . 134 HIS HB2 . 17745 1 1465 . 1 1 134 134 HIS HB3 H 1 3.03 0.03 . 2 . . . . 134 HIS HB3 . 17745 1 1466 . 1 1 134 134 HIS HD2 H 1 6.82 0.03 . 1 . . . . 134 HIS HD2 . 17745 1 1467 . 1 1 134 134 HIS HE1 H 1 7.88 0.03 . 1 . . . . 134 HIS HE1 . 17745 1 1468 . 1 1 134 134 HIS C C 13 175.75 0.20 . 1 . . . . 134 HIS C . 17745 1 1469 . 1 1 134 134 HIS CA C 13 55.37 0.20 . 1 . . . . 134 HIS CA . 17745 1 1470 . 1 1 134 134 HIS CB C 13 32.72 0.20 . 1 . . . . 134 HIS CB . 17745 1 1471 . 1 1 134 134 HIS CD2 C 13 119.50 0.20 . 1 . . . . 134 HIS CD2 . 17745 1 1472 . 1 1 134 134 HIS N N 15 123.75 0.20 . 1 . . . . 134 HIS N . 17745 1 1473 . 1 1 135 135 GLU H H 1 7.92 0.03 . 1 . . . . 135 GLU H . 17745 1 1474 . 1 1 135 135 GLU HA H 1 4.22 0.03 . 1 . . . . 135 GLU HA . 17745 1 1475 . 1 1 135 135 GLU HB2 H 1 1.73 0.03 . 2 . . . . 135 GLU HB2 . 17745 1 1476 . 1 1 135 135 GLU HB3 H 1 1.73 0.03 . 2 . . . . 135 GLU HB3 . 17745 1 1477 . 1 1 135 135 GLU HG2 H 1 2.09 0.03 . 2 . . . . 135 GLU HG2 . 17745 1 1478 . 1 1 135 135 GLU HG3 H 1 2.09 0.03 . 2 . . . . 135 GLU HG3 . 17745 1 1479 . 1 1 135 135 GLU C C 13 174.82 0.20 . 1 . . . . 135 GLU C . 17745 1 1480 . 1 1 135 135 GLU CA C 13 56.14 0.20 . 1 . . . . 135 GLU CA . 17745 1 1481 . 1 1 135 135 GLU CB C 13 31.23 0.20 . 1 . . . . 135 GLU CB . 17745 1 1482 . 1 1 135 135 GLU CG C 13 36.04 0.20 . 1 . . . . 135 GLU CG . 17745 1 1483 . 1 1 135 135 GLU N N 15 127.93 0.20 . 1 . . . . 135 GLU N . 17745 1 1484 . 1 1 136 136 LYS H H 1 8.37 0.03 . 1 . . . . 136 LYS H . 17745 1 1485 . 1 1 136 136 LYS HA H 1 4.22 0.03 . 1 . . . . 136 LYS HA . 17745 1 1486 . 1 1 136 136 LYS HB2 H 1 1.88 0.03 . 2 . . . . 136 LYS HB2 . 17745 1 1487 . 1 1 136 136 LYS HB3 H 1 1.88 0.03 . 2 . . . . 136 LYS HB3 . 17745 1 1488 . 1 1 136 136 LYS HG2 H 1 1.54 0.03 . 2 . . . . 136 LYS HG2 . 17745 1 1489 . 1 1 136 136 LYS HG3 H 1 1.54 0.03 . 2 . . . . 136 LYS HG3 . 17745 1 1490 . 1 1 136 136 LYS HD2 H 1 1.78 0.03 . 2 . . . . 136 LYS HD2 . 17745 1 1491 . 1 1 136 136 LYS HD3 H 1 1.78 0.03 . 2 . . . . 136 LYS HD3 . 17745 1 1492 . 1 1 136 136 LYS HE2 H 1 3.09 0.03 . 2 . . . . 136 LYS HE2 . 17745 1 1493 . 1 1 136 136 LYS HE3 H 1 3.09 0.03 . 2 . . . . 136 LYS HE3 . 17745 1 1494 . 1 1 136 136 LYS C C 13 177.44 0.20 . 1 . . . . 136 LYS C . 17745 1 1495 . 1 1 136 136 LYS CA C 13 56.80 0.20 . 1 . . . . 136 LYS CA . 17745 1 1496 . 1 1 136 136 LYS CB C 13 33.13 0.20 . 1 . . . . 136 LYS CB . 17745 1 1497 . 1 1 136 136 LYS CG C 13 25.10 0.20 . 1 . . . . 136 LYS CG . 17745 1 1498 . 1 1 136 136 LYS CD C 13 29.32 0.20 . 1 . . . . 136 LYS CD . 17745 1 1499 . 1 1 136 136 LYS CE C 13 41.89 0.20 . 1 . . . . 136 LYS CE . 17745 1 1500 . 1 1 136 136 LYS N N 15 122.48 0.20 . 1 . . . . 136 LYS N . 17745 1 1501 . 1 1 137 137 GLY H H 1 8.66 0.03 . 1 . . . . 137 GLY H . 17745 1 1502 . 1 1 137 137 GLY HA2 H 1 3.94 0.03 . 2 . . . . 137 GLY HA2 . 17745 1 1503 . 1 1 137 137 GLY HA3 H 1 3.94 0.03 . 2 . . . . 137 GLY HA3 . 17745 1 1504 . 1 1 137 137 GLY C C 13 173.69 0.20 . 1 . . . . 137 GLY C . 17745 1 1505 . 1 1 137 137 GLY CA C 13 45.48 0.20 . 1 . . . . 137 GLY CA . 17745 1 1506 . 1 1 137 137 GLY N N 15 109.99 0.20 . 1 . . . . 137 GLY N . 17745 1 1507 . 1 1 138 138 HIS H H 1 8.06 0.03 . 1 . . . . 138 HIS H . 17745 1 1508 . 1 1 138 138 HIS CA C 13 56.18 0.20 . 1 . . . . 138 HIS CA . 17745 1 1509 . 1 1 138 138 HIS CB C 13 31.52 0.20 . 1 . . . . 138 HIS CB . 17745 1 1510 . 1 1 138 138 HIS N N 15 119.74 0.20 . 1 . . . . 138 HIS N . 17745 1 1511 . 1 1 142 142 ASN HA H 1 4.78 0.03 . 1 . . . . 142 ASN HA . 17745 1 1512 . 1 1 142 142 ASN HB2 H 1 2.86 0.03 . 2 . . . . 142 ASN HB2 . 17745 1 1513 . 1 1 142 142 ASN HB3 H 1 2.96 0.03 . 2 . . . . 142 ASN HB3 . 17745 1 1514 . 1 1 142 142 ASN C C 13 175.18 0.20 . 1 . . . . 142 ASN C . 17745 1 1515 . 1 1 142 142 ASN CA C 13 53.51 0.20 . 1 . . . . 142 ASN CA . 17745 1 1516 . 1 1 142 142 ASN CB C 13 38.76 0.20 . 1 . . . . 142 ASN CB . 17745 1 1517 . 1 1 143 143 THR H H 1 8.09 0.03 . 1 . . . . 143 THR H . 17745 1 1518 . 1 1 143 143 THR HA H 1 4.34 0.03 . 1 . . . . 143 THR HA . 17745 1 1519 . 1 1 143 143 THR HB H 1 4.30 0.03 . 1 . . . . 143 THR HB . 17745 1 1520 . 1 1 143 143 THR CA C 13 62.31 0.20 . 1 . . . . 143 THR CA . 17745 1 1521 . 1 1 143 143 THR CB C 13 69.60 0.20 . 1 . . . . 143 THR CB . 17745 1 1522 . 1 1 143 143 THR CG2 C 13 21.57 0.20 . 1 . . . . 143 THR CG2 . 17745 1 1523 . 1 1 143 143 THR N N 15 113.47 0.20 . 1 . . . . 143 THR N . 17745 1 1524 . 1 1 145 145 ILE HA H 1 4.10 0.03 . 1 . . . . 145 ILE HA . 17745 1 1525 . 1 1 145 145 ILE HB H 1 1.70 0.03 . 1 . . . . 145 ILE HB . 17745 1 1526 . 1 1 145 145 ILE HG12 H 1 1.02 0.03 . 2 . . . . 145 ILE HG12 . 17745 1 1527 . 1 1 145 145 ILE HG13 H 1 1.13 0.03 . 2 . . . . 145 ILE HG13 . 17745 1 1528 . 1 1 145 145 ILE HG21 H 1 0.48 0.03 . 1 . . . . 145 ILE MG . 17745 1 1529 . 1 1 145 145 ILE HG22 H 1 0.48 0.03 . 1 . . . . 145 ILE MG . 17745 1 1530 . 1 1 145 145 ILE HG23 H 1 0.48 0.03 . 1 . . . . 145 ILE MG . 17745 1 1531 . 1 1 145 145 ILE HD11 H 1 0.71 0.03 . 1 . . . . 145 ILE MD . 17745 1 1532 . 1 1 145 145 ILE HD12 H 1 0.71 0.03 . 1 . . . . 145 ILE MD . 17745 1 1533 . 1 1 145 145 ILE HD13 H 1 0.71 0.03 . 1 . . . . 145 ILE MD . 17745 1 1534 . 1 1 145 145 ILE C C 13 175.88 0.20 . 1 . . . . 145 ILE C . 17745 1 1535 . 1 1 145 145 ILE CA C 13 62.91 0.20 . 1 . . . . 145 ILE CA . 17745 1 1536 . 1 1 145 145 ILE CB C 13 38.22 0.20 . 1 . . . . 145 ILE CB . 17745 1 1537 . 1 1 145 145 ILE CG1 C 13 27.57 0.20 . 1 . . . . 145 ILE CG1 . 17745 1 1538 . 1 1 145 145 ILE CG2 C 13 16.19 0.20 . 1 . . . . 145 ILE CG2 . 17745 1 1539 . 1 1 145 145 ILE CD1 C 13 14.09 0.20 . 1 . . . . 145 ILE CD1 . 17745 1 1540 . 1 1 146 146 HIS H H 1 7.82 0.03 . 1 . . . . 146 HIS H . 17745 1 1541 . 1 1 146 146 HIS HA H 1 4.78 0.03 . 1 . . . . 146 HIS HA . 17745 1 1542 . 1 1 146 146 HIS HB2 H 1 3.02 0.03 . 2 . . . . 146 HIS HB2 . 17745 1 1543 . 1 1 146 146 HIS HB3 H 1 3.02 0.03 . 2 . . . . 146 HIS HB3 . 17745 1 1544 . 1 1 146 146 HIS HD2 H 1 6.91 0.03 . 1 . . . . 146 HIS HD2 . 17745 1 1545 . 1 1 146 146 HIS HE1 H 1 7.61 0.03 . 1 . . . . 146 HIS HE1 . 17745 1 1546 . 1 1 146 146 HIS C C 13 175.08 0.20 . 1 . . . . 146 HIS C . 17745 1 1547 . 1 1 146 146 HIS CA C 13 56.79 0.20 . 1 . . . . 146 HIS CA . 17745 1 1548 . 1 1 146 146 HIS CB C 13 31.61 0.20 . 1 . . . . 146 HIS CB . 17745 1 1549 . 1 1 146 146 HIS CD2 C 13 118.33 0.20 . 1 . . . . 146 HIS CD2 . 17745 1 1550 . 1 1 146 146 HIS N N 15 117.84 0.20 . 1 . . . . 146 HIS N . 17745 1 1551 . 1 1 147 147 THR H H 1 7.59 0.03 . 1 . . . . 147 THR H . 17745 1 1552 . 1 1 147 147 THR HA H 1 3.88 0.03 . 1 . . . . 147 THR HA . 17745 1 1553 . 1 1 147 147 THR HG21 H 1 1.22 0.03 . 1 . . . . 147 THR MG . 17745 1 1554 . 1 1 147 147 THR HG22 H 1 1.22 0.03 . 1 . . . . 147 THR MG . 17745 1 1555 . 1 1 147 147 THR HG23 H 1 1.22 0.03 . 1 . . . . 147 THR MG . 17745 1 1556 . 1 1 147 147 THR CA C 13 66.83 0.20 . 1 . . . . 147 THR CA . 17745 1 1557 . 1 1 147 147 THR CB C 13 69.06 0.20 . 1 . . . . 147 THR CB . 17745 1 1558 . 1 1 147 147 THR CG2 C 13 21.50 0.02 . 1 . . . . 147 THR CG2 . 17745 1 1559 . 1 1 147 147 THR N N 15 115.43 0.20 . 1 . . . . 147 THR N . 17745 1 1560 . 1 1 148 148 GLU HA H 1 3.87 0.03 . 1 . . . . 148 GLU HA . 17745 1 1561 . 1 1 148 148 GLU HB2 H 1 1.61 0.03 . 2 . . . . 148 GLU HB2 . 17745 1 1562 . 1 1 148 148 GLU HB3 H 1 1.69 0.03 . 2 . . . . 148 GLU HB3 . 17745 1 1563 . 1 1 148 148 GLU HG2 H 1 2.09 0.03 . 2 . . . . 148 GLU HG2 . 17745 1 1564 . 1 1 148 148 GLU HG3 H 1 2.16 0.03 . 2 . . . . 148 GLU HG3 . 17745 1 1565 . 1 1 148 148 GLU C C 13 179.47 0.20 . 1 . . . . 148 GLU C . 17745 1 1566 . 1 1 148 148 GLU CA C 13 59.82 0.20 . 1 . . . . 148 GLU CA . 17745 1 1567 . 1 1 148 148 GLU CB C 13 28.66 0.20 . 1 . . . . 148 GLU CB . 17745 1 1568 . 1 1 148 148 GLU CG C 13 36.40 0.20 . 1 . . . . 148 GLU CG . 17745 1 1569 . 1 1 149 149 GLY H H 1 8.42 0.03 . 1 . . . . 149 GLY H . 17745 1 1570 . 1 1 149 149 GLY HA2 H 1 1.85 0.03 . 2 . . . . 149 GLY HA2 . 17745 1 1571 . 1 1 149 149 GLY HA3 H 1 3.31 0.03 . 2 . . . . 149 GLY HA3 . 17745 1 1572 . 1 1 149 149 GLY C C 13 175.47 0.20 . 1 . . . . 149 GLY C . 17745 1 1573 . 1 1 149 149 GLY CA C 13 46.58 0.20 . 1 . . . . 149 GLY CA . 17745 1 1574 . 1 1 149 149 GLY N N 15 111.39 0.20 . 1 . . . . 149 GLY N . 17745 1 1575 . 1 1 150 150 ASN H H 1 7.89 0.03 . 1 . . . . 150 ASN H . 17745 1 1576 . 1 1 150 150 ASN HA H 1 4.64 0.03 . 1 . . . . 150 ASN HA . 17745 1 1577 . 1 1 150 150 ASN HB2 H 1 2.70 0.03 . 2 . . . . 150 ASN HB2 . 17745 1 1578 . 1 1 150 150 ASN HB3 H 1 2.70 0.03 . 2 . . . . 150 ASN HB3 . 17745 1 1579 . 1 1 150 150 ASN C C 13 178.58 0.20 . 1 . . . . 150 ASN C . 17745 1 1580 . 1 1 150 150 ASN CA C 13 55.72 0.20 . 1 . . . . 150 ASN CA . 17745 1 1581 . 1 1 150 150 ASN CB C 13 38.54 0.20 . 1 . . . . 150 ASN CB . 17745 1 1582 . 1 1 150 150 ASN N N 15 118.92 0.20 . 1 . . . . 150 ASN N . 17745 1 1583 . 1 1 151 151 ALA H H 1 8.19 0.03 . 1 . . . . 151 ALA H . 17745 1 1584 . 1 1 151 151 ALA HA H 1 4.08 0.03 . 1 . . . . 151 ALA HA . 17745 1 1585 . 1 1 151 151 ALA HB1 H 1 1.44 0.03 . 1 . . . . 151 ALA MB . 17745 1 1586 . 1 1 151 151 ALA HB2 H 1 1.44 0.03 . 1 . . . . 151 ALA MB . 17745 1 1587 . 1 1 151 151 ALA HB3 H 1 1.44 0.03 . 1 . . . . 151 ALA MB . 17745 1 1588 . 1 1 151 151 ALA C C 13 180.62 0.20 . 1 . . . . 151 ALA C . 17745 1 1589 . 1 1 151 151 ALA CA C 13 54.75 0.20 . 1 . . . . 151 ALA CA . 17745 1 1590 . 1 1 151 151 ALA CB C 13 17.88 0.20 . 1 . . . . 151 ALA CB . 17745 1 1591 . 1 1 151 151 ALA N N 15 122.79 0.20 . 1 . . . . 151 ALA N . 17745 1 1592 . 1 1 152 152 LEU H H 1 7.94 0.03 . 1 . . . . 152 LEU H . 17745 1 1593 . 1 1 152 152 LEU HA H 1 4.31 0.03 . 1 . . . . 152 LEU HA . 17745 1 1594 . 1 1 152 152 LEU HB2 H 1 1.57 0.03 . 2 . . . . 152 LEU HB2 . 17745 1 1595 . 1 1 152 152 LEU HB3 H 1 1.57 0.03 . 2 . . . . 152 LEU HB3 . 17745 1 1596 . 1 1 152 152 LEU HD11 H 1 0.97 0.03 . 2 . . . . 152 LEU MD1 . 17745 1 1597 . 1 1 152 152 LEU HD12 H 1 0.97 0.03 . 2 . . . . 152 LEU MD1 . 17745 1 1598 . 1 1 152 152 LEU HD13 H 1 0.97 0.03 . 2 . . . . 152 LEU MD1 . 17745 1 1599 . 1 1 152 152 LEU HD21 H 1 0.97 0.03 . 2 . . . . 152 LEU MD2 . 17745 1 1600 . 1 1 152 152 LEU HD22 H 1 0.97 0.03 . 2 . . . . 152 LEU MD2 . 17745 1 1601 . 1 1 152 152 LEU HD23 H 1 0.97 0.03 . 2 . . . . 152 LEU MD2 . 17745 1 1602 . 1 1 152 152 LEU C C 13 177.81 0.20 . 1 . . . . 152 LEU C . 17745 1 1603 . 1 1 152 152 LEU CA C 13 57.40 0.20 . 1 . . . . 152 LEU CA . 17745 1 1604 . 1 1 152 152 LEU CB C 13 40.70 0.20 . 1 . . . . 152 LEU CB . 17745 1 1605 . 1 1 152 152 LEU CG C 13 25.72 0.20 . 1 . . . . 152 LEU CG . 17745 1 1606 . 1 1 152 152 LEU CD1 C 13 21.88 0.20 . 2 . . . . 152 LEU CD1 . 17745 1 1607 . 1 1 152 152 LEU CD2 C 13 21.88 0.20 . 2 . . . . 152 LEU CD2 . 17745 1 1608 . 1 1 152 152 LEU N N 15 121.45 0.20 . 1 . . . . 152 LEU N . 17745 1 1609 . 1 1 153 153 ALA H H 1 8.26 0.03 . 1 . . . . 153 ALA H . 17745 1 1610 . 1 1 153 153 ALA HA H 1 3.72 0.03 . 1 . . . . 153 ALA HA . 17745 1 1611 . 1 1 153 153 ALA HB1 H 1 1.37 0.03 . 1 . . . . 153 ALA MB . 17745 1 1612 . 1 1 153 153 ALA HB2 H 1 1.37 0.03 . 1 . . . . 153 ALA MB . 17745 1 1613 . 1 1 153 153 ALA HB3 H 1 1.37 0.03 . 1 . . . . 153 ALA MB . 17745 1 1614 . 1 1 153 153 ALA CA C 13 56.72 0.20 . 1 . . . . 153 ALA CA . 17745 1 1615 . 1 1 153 153 ALA CB C 13 17.17 0.20 . 1 . . . . 153 ALA CB . 17745 1 1616 . 1 1 153 153 ALA N N 15 122.01 0.20 . 1 . . . . 153 ALA N . 17745 1 1617 . 1 1 154 154 ASP H H 1 7.66 0.03 . 1 . . . . 154 ASP H . 17745 1 1618 . 1 1 154 154 ASP HA H 1 4.63 0.03 . 1 . . . . 154 ASP HA . 17745 1 1619 . 1 1 154 154 ASP HB2 H 1 3.53 0.03 . 2 . . . . 154 ASP HB2 . 17745 1 1620 . 1 1 154 154 ASP HB3 H 1 3.53 0.03 . 2 . . . . 154 ASP HB3 . 17745 1 1621 . 1 1 154 154 ASP CA C 13 57.11 0.20 . 1 . . . . 154 ASP CA . 17745 1 1622 . 1 1 154 154 ASP CB C 13 42.45 0.20 . 1 . . . . 154 ASP CB . 17745 1 1623 . 1 1 154 154 ASP N N 15 116.88 0.20 . 1 . . . . 154 ASP N . 17745 1 1624 . 1 1 155 155 LYS H H 1 8.07 0.03 . 1 . . . . 155 LYS H . 17745 1 1625 . 1 1 155 155 LYS HA H 1 4.00 0.03 . 1 . . . . 155 LYS HA . 17745 1 1626 . 1 1 155 155 LYS HB2 H 1 2.06 0.03 . 2 . . . . 155 LYS HB2 . 17745 1 1627 . 1 1 155 155 LYS HB3 H 1 2.06 0.03 . 2 . . . . 155 LYS HB3 . 17745 1 1628 . 1 1 155 155 LYS HG2 H 1 1.35 0.03 . 2 . . . . 155 LYS HG2 . 17745 1 1629 . 1 1 155 155 LYS HG3 H 1 1.35 0.03 . 2 . . . . 155 LYS HG3 . 17745 1 1630 . 1 1 155 155 LYS HD2 H 1 1.67 0.03 . 2 . . . . 155 LYS HD2 . 17745 1 1631 . 1 1 155 155 LYS HD3 H 1 1.67 0.03 . 2 . . . . 155 LYS HD3 . 17745 1 1632 . 1 1 155 155 LYS HE2 H 1 2.94 0.03 . 2 . . . . 155 LYS HE2 . 17745 1 1633 . 1 1 155 155 LYS HE3 H 1 2.94 0.03 . 2 . . . . 155 LYS HE3 . 17745 1 1634 . 1 1 155 155 LYS C C 13 179.49 0.20 . 1 . . . . 155 LYS C . 17745 1 1635 . 1 1 155 155 LYS CA C 13 59.75 0.20 . 1 . . . . 155 LYS CA . 17745 1 1636 . 1 1 155 155 LYS CB C 13 32.46 0.20 . 1 . . . . 155 LYS CB . 17745 1 1637 . 1 1 155 155 LYS CG C 13 24.97 0.20 . 1 . . . . 155 LYS CG . 17745 1 1638 . 1 1 155 155 LYS CD C 13 29.83 0.20 . 1 . . . . 155 LYS CD . 17745 1 1639 . 1 1 155 155 LYS CE C 13 41.75 0.20 . 1 . . . . 155 LYS CE . 17745 1 1640 . 1 1 155 155 LYS N N 15 122.79 0.20 . 1 . . . . 155 LYS N . 17745 1 1641 . 1 1 156 156 LEU H H 1 8.70 0.03 . 1 . . . . 156 LEU H . 17745 1 1642 . 1 1 156 156 LEU HA H 1 4.06 0.03 . 1 . . . . 156 LEU HA . 17745 1 1643 . 1 1 156 156 LEU HB2 H 1 1.61 0.03 . 2 . . . . 156 LEU HB2 . 17745 1 1644 . 1 1 156 156 LEU HB3 H 1 1.98 0.03 . 2 . . . . 156 LEU HB3 . 17745 1 1645 . 1 1 156 156 LEU HD11 H 1 0.85 0.03 . 2 . . . . 156 LEU MD1 . 17745 1 1646 . 1 1 156 156 LEU HD12 H 1 0.85 0.03 . 2 . . . . 156 LEU MD1 . 17745 1 1647 . 1 1 156 156 LEU HD13 H 1 0.85 0.03 . 2 . . . . 156 LEU MD1 . 17745 1 1648 . 1 1 156 156 LEU HD21 H 1 0.85 0.03 . 2 . . . . 156 LEU MD2 . 17745 1 1649 . 1 1 156 156 LEU HD22 H 1 0.85 0.03 . 2 . . . . 156 LEU MD2 . 17745 1 1650 . 1 1 156 156 LEU HD23 H 1 0.85 0.03 . 2 . . . . 156 LEU MD2 . 17745 1 1651 . 1 1 156 156 LEU C C 13 180.16 0.20 . 1 . . . . 156 LEU C . 17745 1 1652 . 1 1 156 156 LEU CA C 13 57.42 0.20 . 1 . . . . 156 LEU CA . 17745 1 1653 . 1 1 156 156 LEU CB C 13 41.63 0.20 . 1 . . . . 156 LEU CB . 17745 1 1654 . 1 1 156 156 LEU CG C 13 27.64 0.20 . 1 . . . . 156 LEU CG . 17745 1 1655 . 1 1 156 156 LEU CD1 C 13 21.55 0.20 . 2 . . . . 156 LEU CD1 . 17745 1 1656 . 1 1 156 156 LEU CD2 C 13 21.55 0.20 . 2 . . . . 156 LEU CD2 . 17745 1 1657 . 1 1 156 156 LEU N N 15 119.18 0.20 . 1 . . . . 156 LEU N . 17745 1 1658 . 1 1 157 157 ALA H H 1 8.56 0.03 . 1 . . . . 157 ALA H . 17745 1 1659 . 1 1 157 157 ALA HA H 1 3.59 0.03 . 1 . . . . 157 ALA HA . 17745 1 1660 . 1 1 157 157 ALA HB1 H 1 1.41 0.03 . 1 . . . . 157 ALA MB . 17745 1 1661 . 1 1 157 157 ALA HB2 H 1 1.41 0.03 . 1 . . . . 157 ALA MB . 17745 1 1662 . 1 1 157 157 ALA HB3 H 1 1.41 0.03 . 1 . . . . 157 ALA MB . 17745 1 1663 . 1 1 157 157 ALA C C 13 179.24 0.20 . 1 . . . . 157 ALA C . 17745 1 1664 . 1 1 157 157 ALA CA C 13 55.87 0.20 . 1 . . . . 157 ALA CA . 17745 1 1665 . 1 1 157 157 ALA CB C 13 18.93 0.20 . 1 . . . . 157 ALA CB . 17745 1 1666 . 1 1 157 157 ALA N N 15 125.87 0.20 . 1 . . . . 157 ALA N . 17745 1 1667 . 1 1 158 158 THR H H 1 8.20 0.03 . 1 . . . . 158 THR H . 17745 1 1668 . 1 1 158 158 THR HA H 1 4.27 0.03 . 1 . . . . 158 THR HA . 17745 1 1669 . 1 1 158 158 THR HB H 1 3.77 0.03 . 1 . . . . 158 THR HB . 17745 1 1670 . 1 1 158 158 THR C C 13 177.30 0.20 . 1 . . . . 158 THR C . 17745 1 1671 . 1 1 158 158 THR CA C 13 65.98 0.20 . 1 . . . . 158 THR CA . 17745 1 1672 . 1 1 158 158 THR CB C 13 68.67 0.20 . 1 . . . . 158 THR CB . 17745 1 1673 . 1 1 158 158 THR CG2 C 13 21.55 0.02 . 1 . . . . 158 THR CG2 . 17745 1 1674 . 1 1 158 158 THR N N 15 114.66 0.20 . 1 . . . . 158 THR N . 17745 1 1675 . 1 1 159 159 GLN H H 1 8.37 0.03 . 1 . . . . 159 GLN H . 17745 1 1676 . 1 1 159 159 GLN HA H 1 3.95 0.03 . 1 . . . . 159 GLN HA . 17745 1 1677 . 1 1 159 159 GLN HB2 H 1 2.06 0.03 . 2 . . . . 159 GLN HB2 . 17745 1 1678 . 1 1 159 159 GLN HB3 H 1 2.13 0.03 . 2 . . . . 159 GLN HB3 . 17745 1 1679 . 1 1 159 159 GLN HG2 H 1 2.36 0.03 . 2 . . . . 159 GLN HG2 . 17745 1 1680 . 1 1 159 159 GLN HG3 H 1 2.52 0.03 . 2 . . . . 159 GLN HG3 . 17745 1 1681 . 1 1 159 159 GLN C C 13 178.86 0.20 . 1 . . . . 159 GLN C . 17745 1 1682 . 1 1 159 159 GLN CA C 13 58.87 0.20 . 1 . . . . 159 GLN CA . 17745 1 1683 . 1 1 159 159 GLN CB C 13 28.45 0.20 . 1 . . . . 159 GLN CB . 17745 1 1684 . 1 1 159 159 GLN CG C 13 34.22 0.20 . 1 . . . . 159 GLN CG . 17745 1 1685 . 1 1 159 159 GLN N N 15 120.79 0.20 . 1 . . . . 159 GLN N . 17745 1 1686 . 1 1 160 160 GLY H H 1 7.78 0.03 . 1 . . . . 160 GLY H . 17745 1 1687 . 1 1 160 160 GLY HA2 H 1 3.26 0.03 . 2 . . . . 160 GLY HA2 . 17745 1 1688 . 1 1 160 160 GLY HA3 H 1 3.83 0.03 . 2 . . . . 160 GLY HA3 . 17745 1 1689 . 1 1 160 160 GLY C C 13 173.98 0.20 . 1 . . . . 160 GLY C . 17745 1 1690 . 1 1 160 160 GLY CA C 13 46.55 0.20 . 1 . . . . 160 GLY CA . 17745 1 1691 . 1 1 160 160 GLY N N 15 106.60 0.20 . 1 . . . . 160 GLY N . 17745 1 1692 . 1 1 161 161 SER H H 1 7.64 0.03 . 1 . . . . 161 SER H . 17745 1 1693 . 1 1 161 161 SER HA H 1 4.02 0.03 . 1 . . . . 161 SER HA . 17745 1 1694 . 1 1 161 161 SER HB2 H 1 3.61 0.03 . 2 . . . . 161 SER HB2 . 17745 1 1695 . 1 1 161 161 SER HB3 H 1 3.86 0.03 . 2 . . . . 161 SER HB3 . 17745 1 1696 . 1 1 161 161 SER C C 13 173.80 0.20 . 1 . . . . 161 SER C . 17745 1 1697 . 1 1 161 161 SER CA C 13 60.17 0.20 . 1 . . . . 161 SER CA . 17745 1 1698 . 1 1 161 161 SER CB C 13 63.52 0.20 . 1 . . . . 161 SER CB . 17745 1 1699 . 1 1 161 161 SER N N 15 115.05 0.20 . 1 . . . . 161 SER N . 17745 1 1700 . 1 1 162 162 TYR H H 1 7.32 0.03 . 1 . . . . 162 TYR H . 17745 1 1701 . 1 1 162 162 TYR HA H 1 4.53 0.03 . 1 . . . . 162 TYR HA . 17745 1 1702 . 1 1 162 162 TYR HB2 H 1 2.91 0.03 . 2 . . . . 162 TYR HB2 . 17745 1 1703 . 1 1 162 162 TYR HB3 H 1 3.22 0.03 . 2 . . . . 162 TYR HB3 . 17745 1 1704 . 1 1 162 162 TYR HD1 H 1 7.17 0.03 . 1 . . . . 162 TYR HD1 . 17745 1 1705 . 1 1 162 162 TYR HD2 H 1 7.17 0.03 . 1 . . . . 162 TYR HD2 . 17745 1 1706 . 1 1 162 162 TYR HE1 H 1 6.74 0.03 . 1 . . . . 162 TYR HE1 . 17745 1 1707 . 1 1 162 162 TYR HE2 H 1 6.74 0.03 . 1 . . . . 162 TYR HE2 . 17745 1 1708 . 1 1 162 162 TYR C C 13 175.99 0.20 . 1 . . . . 162 TYR C . 17745 1 1709 . 1 1 162 162 TYR CA C 13 57.97 0.20 . 1 . . . . 162 TYR CA . 17745 1 1710 . 1 1 162 162 TYR CB C 13 38.71 0.20 . 1 . . . . 162 TYR CB . 17745 1 1711 . 1 1 162 162 TYR N N 15 119.02 0.20 . 1 . . . . 162 TYR N . 17745 1 1712 . 1 1 163 163 VAL H H 1 7.51 0.03 . 1 . . . . 163 VAL H . 17745 1 1713 . 1 1 163 163 VAL HA H 1 4.03 0.03 . 1 . . . . 163 VAL HA . 17745 1 1714 . 1 1 163 163 VAL HB H 1 2.12 0.03 . 1 . . . . 163 VAL HB . 17745 1 1715 . 1 1 163 163 VAL HG11 H 1 1.06 0.03 . 2 . . . . 163 VAL MG1 . 17745 1 1716 . 1 1 163 163 VAL HG12 H 1 1.06 0.03 . 2 . . . . 163 VAL MG1 . 17745 1 1717 . 1 1 163 163 VAL HG13 H 1 1.06 0.03 . 2 . . . . 163 VAL MG1 . 17745 1 1718 . 1 1 163 163 VAL HG21 H 1 0.96 0.03 . 2 . . . . 163 VAL MG2 . 17745 1 1719 . 1 1 163 163 VAL HG22 H 1 0.96 0.03 . 2 . . . . 163 VAL MG2 . 17745 1 1720 . 1 1 163 163 VAL HG23 H 1 0.96 0.03 . 2 . . . . 163 VAL MG2 . 17745 1 1721 . 1 1 163 163 VAL C C 13 175.54 0.20 . 1 . . . . 163 VAL C . 17745 1 1722 . 1 1 163 163 VAL CA C 13 63.09 0.20 . 1 . . . . 163 VAL CA . 17745 1 1723 . 1 1 163 163 VAL CB C 13 32.36 0.20 . 1 . . . . 163 VAL CB . 17745 1 1724 . 1 1 163 163 VAL CG1 C 13 21.44 0.20 . 2 . . . . 163 VAL CG1 . 17745 1 1725 . 1 1 163 163 VAL CG2 C 13 21.44 0.20 . 2 . . . . 163 VAL CG2 . 17745 1 1726 . 1 1 163 163 VAL N N 15 121.81 0.20 . 1 . . . . 163 VAL N . 17745 1 1727 . 1 1 164 164 VAL H H 1 8.16 0.03 . 1 . . . . 164 VAL H . 17745 1 1728 . 1 1 164 164 VAL HA H 1 4.16 0.03 . 1 . . . . 164 VAL HA . 17745 1 1729 . 1 1 164 164 VAL HB H 1 2.11 0.03 . 1 . . . . 164 VAL HB . 17745 1 1730 . 1 1 164 164 VAL HG11 H 1 1.07 0.03 . 2 . . . . 164 VAL MG1 . 17745 1 1731 . 1 1 164 164 VAL HG12 H 1 1.07 0.03 . 2 . . . . 164 VAL MG1 . 17745 1 1732 . 1 1 164 164 VAL HG13 H 1 1.07 0.03 . 2 . . . . 164 VAL MG1 . 17745 1 1733 . 1 1 164 164 VAL HG21 H 1 0.98 0.03 . 2 . . . . 164 VAL MG2 . 17745 1 1734 . 1 1 164 164 VAL HG22 H 1 0.98 0.03 . 2 . . . . 164 VAL MG2 . 17745 1 1735 . 1 1 164 164 VAL HG23 H 1 0.98 0.03 . 2 . . . . 164 VAL MG2 . 17745 1 1736 . 1 1 164 164 VAL C C 13 175.11 0.20 . 1 . . . . 164 VAL C . 17745 1 1737 . 1 1 164 164 VAL CA C 13 62.23 0.20 . 1 . . . . 164 VAL CA . 17745 1 1738 . 1 1 164 164 VAL CB C 13 32.80 0.20 . 1 . . . . 164 VAL CB . 17745 1 1739 . 1 1 164 164 VAL CG1 C 13 21.09 0.20 . 2 . . . . 164 VAL CG1 . 17745 1 1740 . 1 1 164 164 VAL CG2 C 13 21.09 0.20 . 2 . . . . 164 VAL CG2 . 17745 1 1741 . 1 1 164 164 VAL N N 15 124.89 0.20 . 1 . . . . 164 VAL N . 17745 1 1742 . 1 1 165 165 ASN H H 1 8.05 0.03 . 1 . . . . 165 ASN H . 17745 1 1743 . 1 1 165 165 ASN HA H 1 4.51 0.03 . 1 . . . . 165 ASN HA . 17745 1 1744 . 1 1 165 165 ASN HB2 H 1 2.68 0.03 . 2 . . . . 165 ASN HB2 . 17745 1 1745 . 1 1 165 165 ASN HB3 H 1 2.77 0.03 . 2 . . . . 165 ASN HB3 . 17745 1 1746 . 1 1 165 165 ASN CA C 13 54.81 0.20 . 1 . . . . 165 ASN CA . 17745 1 1747 . 1 1 165 165 ASN CB C 13 40.67 0.20 . 1 . . . . 165 ASN CB . 17745 1 1748 . 1 1 165 165 ASN N N 15 128.37 0.20 . 1 . . . . 165 ASN N . 17745 1 stop_ save_