data_16100 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16100 _Entry.Title ; Solution NMR Structure of the C-Terminal Domain of Protein DR_A0006 from Deinococcus radiodurans, Northeast Structural Genomics Consortium Target DrR147D ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-31 _Entry.Accession_date 2008-12-31 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Jeffrey Mills . L. . 16100 2 Arindam Ghosh . . . 16100 3 Erwin Garcia . . . 16100 4 Huang Wang . . . 16100 5 Colleen Ciccosanti . . . 16100 6 Rong Xiao . . . 16100 7 Rajesh Nair . . . 16100 8 John Everett . K. . 16100 9 'G. V. T.' Swapna . . . 16100 10 Thomas Acton . B. . 16100 11 Burkhard Rost . . . 16100 12 Gaetano Montelione . T. . 16100 13 Thomas Szyperski . . . 16100 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 16100 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NESGC . 16100 'Protein structure' . 16100 PSI . 16100 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16100 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 434 16100 '15N chemical shifts' 118 16100 '1H chemical shifts' 887 16100 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 2 . . 2010-06-02 2008-12-31 update BMRB 'edit assembly name' 16100 1 . . 2009-02-19 2008-12-31 original author 'original release' 16100 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KCZ 'BMRB Entry Tracking System' 16100 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16100 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution NMR Structure of the C-Terminal Domain of Protein DR_A0006 from Deinococcus radiodurans, Northeast Structural Genomics Consortium Target DrR147D ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jeffrey Mills . L. . 16100 1 2 Arindam Ghosh . . . 16100 1 3 Erwin Garcia . . . 16100 1 4 Huang Wang . . . 16100 1 5 Colleen Ciccosanti . . . 16100 1 6 Rong Xiao . . . 16100 1 7 Rajesh Nair . . . 16100 1 8 John Everett . K. . 16100 1 9 'G. V. T.' Swapna . . . 16100 1 10 Thomas Acton . B. . 16100 1 11 Burkhard Rost . . . 16100 1 12 Gaetano Montelione . T. . 16100 1 13 THOMAS SZYPERSKI . . . 16100 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NESGC 16100 1 'Protein structure' 16100 1 PSI 16100 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16100 _Assembly.ID 1 _Assembly.Name DR_A0006 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 DrR147D 1 $DrR147D A . yes native no no . . . 16100 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DrR147D _Entity.Sf_category entity _Entity.Sf_framecode DrR147D _Entity.Entry_ID 16100 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DrR147D _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGETVVRDAVTIGKPAEQLY AVWRDLPGLPLLMTHLRSVE VLDDKRSRWTVEAPAPLGAV SWEAELTADEPGKRIAWRSL PGARIENSGEVLFRPAPGAR GTEVVVRLTYRPPGGSAGAV IARMFNQEPSQQLRDDLMRF KREQELGLEHHHHHH ; _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 155 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17378.928 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KCZ . "Solution Nmr Structure Of The C-Terminal Domain Of Protein Dr_a0006 From Deinococcus Radiodurans. Northeast Structural Genomics" . . . . . 100.00 155 100.00 100.00 2.46e-106 . . . . 16100 1 2 no PDB 3GGN . "Crystal Structure Of Dr_a0006 From Deinococcus Radiodurans. Northeast Structural Genomics Consortium Target Drr147d" . . . . . 100.00 155 99.35 99.35 9.34e-106 . . . . 16100 1 3 no GB AAF12292 . "conserved hypothetical protein [Deinococcus radiodurans R1]" . . . . . 94.19 268 99.32 99.32 2.59e-97 . . . . 16100 1 4 no REF NP_285330 . "hypothetical protein DR_A0006 [Deinococcus radiodurans R1]" . . . . . 94.19 268 99.32 99.32 2.59e-97 . . . . 16100 1 5 no REF WP_010889266 . "cyclase [Deinococcus radiodurans]" . . . . . 94.19 268 99.32 99.32 2.59e-97 . . . . 16100 1 6 no REF WP_034349816 . "cyclase [Deinococcus radiodurans]" . . . . . 94.19 232 99.32 99.32 7.40e-98 . . . . 16100 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16100 1 2 . GLY . 16100 1 3 . GLU . 16100 1 4 . THR . 16100 1 5 . VAL . 16100 1 6 . VAL . 16100 1 7 . ARG . 16100 1 8 . ASP . 16100 1 9 . ALA . 16100 1 10 . VAL . 16100 1 11 . THR . 16100 1 12 . ILE . 16100 1 13 . GLY . 16100 1 14 . LYS . 16100 1 15 . PRO . 16100 1 16 . ALA . 16100 1 17 . GLU . 16100 1 18 . GLN . 16100 1 19 . LEU . 16100 1 20 . TYR . 16100 1 21 . ALA . 16100 1 22 . VAL . 16100 1 23 . TRP . 16100 1 24 . ARG . 16100 1 25 . ASP . 16100 1 26 . LEU . 16100 1 27 . PRO . 16100 1 28 . GLY . 16100 1 29 . LEU . 16100 1 30 . PRO . 16100 1 31 . LEU . 16100 1 32 . LEU . 16100 1 33 . MET . 16100 1 34 . THR . 16100 1 35 . HIS . 16100 1 36 . LEU . 16100 1 37 . ARG . 16100 1 38 . SER . 16100 1 39 . VAL . 16100 1 40 . GLU . 16100 1 41 . VAL . 16100 1 42 . LEU . 16100 1 43 . ASP . 16100 1 44 . ASP . 16100 1 45 . LYS . 16100 1 46 . ARG . 16100 1 47 . SER . 16100 1 48 . ARG . 16100 1 49 . TRP . 16100 1 50 . THR . 16100 1 51 . VAL . 16100 1 52 . GLU . 16100 1 53 . ALA . 16100 1 54 . PRO . 16100 1 55 . ALA . 16100 1 56 . PRO . 16100 1 57 . LEU . 16100 1 58 . GLY . 16100 1 59 . ALA . 16100 1 60 . VAL . 16100 1 61 . SER . 16100 1 62 . TRP . 16100 1 63 . GLU . 16100 1 64 . ALA . 16100 1 65 . GLU . 16100 1 66 . LEU . 16100 1 67 . THR . 16100 1 68 . ALA . 16100 1 69 . ASP . 16100 1 70 . GLU . 16100 1 71 . PRO . 16100 1 72 . GLY . 16100 1 73 . LYS . 16100 1 74 . ARG . 16100 1 75 . ILE . 16100 1 76 . ALA . 16100 1 77 . TRP . 16100 1 78 . ARG . 16100 1 79 . SER . 16100 1 80 . LEU . 16100 1 81 . PRO . 16100 1 82 . GLY . 16100 1 83 . ALA . 16100 1 84 . ARG . 16100 1 85 . ILE . 16100 1 86 . GLU . 16100 1 87 . ASN . 16100 1 88 . SER . 16100 1 89 . GLY . 16100 1 90 . GLU . 16100 1 91 . VAL . 16100 1 92 . LEU . 16100 1 93 . PHE . 16100 1 94 . ARG . 16100 1 95 . PRO . 16100 1 96 . ALA . 16100 1 97 . PRO . 16100 1 98 . GLY . 16100 1 99 . ALA . 16100 1 100 . ARG . 16100 1 101 . GLY . 16100 1 102 . THR . 16100 1 103 . GLU . 16100 1 104 . VAL . 16100 1 105 . VAL . 16100 1 106 . VAL . 16100 1 107 . ARG . 16100 1 108 . LEU . 16100 1 109 . THR . 16100 1 110 . TYR . 16100 1 111 . ARG . 16100 1 112 . PRO . 16100 1 113 . PRO . 16100 1 114 . GLY . 16100 1 115 . GLY . 16100 1 116 . SER . 16100 1 117 . ALA . 16100 1 118 . GLY . 16100 1 119 . ALA . 16100 1 120 . VAL . 16100 1 121 . ILE . 16100 1 122 . ALA . 16100 1 123 . ARG . 16100 1 124 . MET . 16100 1 125 . PHE . 16100 1 126 . ASN . 16100 1 127 . GLN . 16100 1 128 . GLU . 16100 1 129 . PRO . 16100 1 130 . SER . 16100 1 131 . GLN . 16100 1 132 . GLN . 16100 1 133 . LEU . 16100 1 134 . ARG . 16100 1 135 . ASP . 16100 1 136 . ASP . 16100 1 137 . LEU . 16100 1 138 . MET . 16100 1 139 . ARG . 16100 1 140 . PHE . 16100 1 141 . LYS . 16100 1 142 . ARG . 16100 1 143 . GLU . 16100 1 144 . GLN . 16100 1 145 . GLU . 16100 1 146 . LEU . 16100 1 147 . GLY . 16100 1 148 . LEU . 16100 1 149 . GLU . 16100 1 150 . HIS . 16100 1 151 . HIS . 16100 1 152 . HIS . 16100 1 153 . HIS . 16100 1 154 . HIS . 16100 1 155 . HIS . 16100 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16100 1 . GLY 2 2 16100 1 . GLU 3 3 16100 1 . THR 4 4 16100 1 . VAL 5 5 16100 1 . VAL 6 6 16100 1 . ARG 7 7 16100 1 . ASP 8 8 16100 1 . ALA 9 9 16100 1 . VAL 10 10 16100 1 . THR 11 11 16100 1 . ILE 12 12 16100 1 . GLY 13 13 16100 1 . LYS 14 14 16100 1 . PRO 15 15 16100 1 . ALA 16 16 16100 1 . GLU 17 17 16100 1 . GLN 18 18 16100 1 . LEU 19 19 16100 1 . TYR 20 20 16100 1 . ALA 21 21 16100 1 . VAL 22 22 16100 1 . TRP 23 23 16100 1 . ARG 24 24 16100 1 . ASP 25 25 16100 1 . LEU 26 26 16100 1 . PRO 27 27 16100 1 . GLY 28 28 16100 1 . LEU 29 29 16100 1 . PRO 30 30 16100 1 . LEU 31 31 16100 1 . LEU 32 32 16100 1 . MET 33 33 16100 1 . THR 34 34 16100 1 . HIS 35 35 16100 1 . LEU 36 36 16100 1 . ARG 37 37 16100 1 . SER 38 38 16100 1 . VAL 39 39 16100 1 . GLU 40 40 16100 1 . VAL 41 41 16100 1 . LEU 42 42 16100 1 . ASP 43 43 16100 1 . ASP 44 44 16100 1 . LYS 45 45 16100 1 . ARG 46 46 16100 1 . SER 47 47 16100 1 . ARG 48 48 16100 1 . TRP 49 49 16100 1 . THR 50 50 16100 1 . VAL 51 51 16100 1 . GLU 52 52 16100 1 . ALA 53 53 16100 1 . PRO 54 54 16100 1 . ALA 55 55 16100 1 . PRO 56 56 16100 1 . LEU 57 57 16100 1 . GLY 58 58 16100 1 . ALA 59 59 16100 1 . VAL 60 60 16100 1 . SER 61 61 16100 1 . TRP 62 62 16100 1 . GLU 63 63 16100 1 . ALA 64 64 16100 1 . GLU 65 65 16100 1 . LEU 66 66 16100 1 . THR 67 67 16100 1 . ALA 68 68 16100 1 . ASP 69 69 16100 1 . GLU 70 70 16100 1 . PRO 71 71 16100 1 . GLY 72 72 16100 1 . LYS 73 73 16100 1 . ARG 74 74 16100 1 . ILE 75 75 16100 1 . ALA 76 76 16100 1 . TRP 77 77 16100 1 . ARG 78 78 16100 1 . SER 79 79 16100 1 . LEU 80 80 16100 1 . PRO 81 81 16100 1 . GLY 82 82 16100 1 . ALA 83 83 16100 1 . ARG 84 84 16100 1 . ILE 85 85 16100 1 . GLU 86 86 16100 1 . ASN 87 87 16100 1 . SER 88 88 16100 1 . GLY 89 89 16100 1 . GLU 90 90 16100 1 . VAL 91 91 16100 1 . LEU 92 92 16100 1 . PHE 93 93 16100 1 . ARG 94 94 16100 1 . PRO 95 95 16100 1 . ALA 96 96 16100 1 . PRO 97 97 16100 1 . GLY 98 98 16100 1 . ALA 99 99 16100 1 . ARG 100 100 16100 1 . GLY 101 101 16100 1 . THR 102 102 16100 1 . GLU 103 103 16100 1 . VAL 104 104 16100 1 . VAL 105 105 16100 1 . VAL 106 106 16100 1 . ARG 107 107 16100 1 . LEU 108 108 16100 1 . THR 109 109 16100 1 . TYR 110 110 16100 1 . ARG 111 111 16100 1 . PRO 112 112 16100 1 . PRO 113 113 16100 1 . GLY 114 114 16100 1 . GLY 115 115 16100 1 . SER 116 116 16100 1 . ALA 117 117 16100 1 . GLY 118 118 16100 1 . ALA 119 119 16100 1 . VAL 120 120 16100 1 . ILE 121 121 16100 1 . ALA 122 122 16100 1 . ARG 123 123 16100 1 . MET 124 124 16100 1 . PHE 125 125 16100 1 . ASN 126 126 16100 1 . GLN 127 127 16100 1 . GLU 128 128 16100 1 . PRO 129 129 16100 1 . SER 130 130 16100 1 . GLN 131 131 16100 1 . GLN 132 132 16100 1 . LEU 133 133 16100 1 . ARG 134 134 16100 1 . ASP 135 135 16100 1 . ASP 136 136 16100 1 . LEU 137 137 16100 1 . MET 138 138 16100 1 . ARG 139 139 16100 1 . PHE 140 140 16100 1 . LYS 141 141 16100 1 . ARG 142 142 16100 1 . GLU 143 143 16100 1 . GLN 144 144 16100 1 . GLU 145 145 16100 1 . LEU 146 146 16100 1 . GLY 147 147 16100 1 . LEU 148 148 16100 1 . GLU 149 149 16100 1 . HIS 150 150 16100 1 . HIS 151 151 16100 1 . HIS 152 152 16100 1 . HIS 153 153 16100 1 . HIS 154 154 16100 1 . HIS 155 155 16100 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 16100 _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 $DrR147D . 1299 organism . 'Deinococcus radiodurans' 'Deinococcus radiodurans' . . Bacteria . Deinococcus radiodurans . . . . . . . . . . . . . . . . . . . . . 16100 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 16100 _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 $DrR147D . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET 21-23C' . . . . . . 16100 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC _Sample.Sf_category sample _Sample.Sf_framecode NC _Sample.Entry_ID 16100 _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 DrR147D '[U-99% 13C; U-99% 15N]' . . 1 $DrR147D . . 0.9 . . mM . . . . 16100 1 2 D2O [U-2H] . . . . . . 10 . . % . . . . 16100 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16100 1 4 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 16100 1 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16100 1 6 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 16100 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16100 1 8 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16100 1 9 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 16100 1 stop_ save_ save_NC5 _Sample.Sf_category sample _Sample.Sf_framecode NC5 _Sample.Entry_ID 16100 _Sample.ID 2 _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 DrR147D '[U-5% 13C; U-99% 15N]' . . 1 $DrR147D . . 0.9 . . mM . . . . 16100 2 2 D2O [U-2H] . . . . . . 10 . . % . . . . 16100 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16100 2 4 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 16100 2 5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16100 2 6 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 16100 2 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16100 2 8 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16100 2 9 'ammonium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 16100 2 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 16100 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 435 . mM 16100 1 pH 4.5 . pH 16100 1 pressure 1.0 . atm 16100 1 temperature 298 . K 16100 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 16100 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16100 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16100 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16100 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16100 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16100 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 16100 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16100 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16100 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 16100 _Software.ID 4 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 16100 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16100 4 stop_ save_ save_SPSCAN _Software.Sf_category software _Software.Sf_framecode SPSCAN _Software.Entry_ID 16100 _Software.ID 5 _Software.Name SPSCAN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Glaser . . 16100 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16100 5 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16100 _Software.ID 6 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 16100 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16100 6 stop_ save_ save_CSI _Software.Sf_category software _Software.Sf_framecode CSI _Software.Entry_ID 16100 _Software.ID 7 _Software.Name CSI _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Wishart and Sykes' . . 16100 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16100 7 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16100 _Software.ID 8 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16100 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16100 8 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16100 _Software.ID 9 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16100 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16100 9 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16100 _Software.ID 10 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16100 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16100 10 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 16100 _Software.ID 11 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 16100 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16100 11 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 16100 _Software.ID 12 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 16100 12 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16100 12 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 16100 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16100 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 16100 _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 Varian INOVA . 600 . . . 16100 1 2 spectrometer_2 Varian INOVA . 750 . . . 16100 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 16100 _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 . . . . . . . . . . . . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16100 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16100 1 3 '3D HNCO' no . . . . . . . . . . . . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16100 1 4 '3D HNCACB' no . . . . . . . . . . . . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16100 1 5 '3D HNCA' no . . . . . . . . . . . . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16100 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . . . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16100 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . . . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16100 1 8 '3D HCCH-COSY' no . . . . . . . . . . . . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16100 1 9 '3D simultaneous NCaliCaro HH NOESY' no . . . . . . . . . . . . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16100 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . . . isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16100 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 16100 _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 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 16100 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 16100 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 16100 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 16100 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16100 1 2 '2D 1H-13C HSQC' . . . 16100 1 3 '3D simultaneous NCaliCaro HH NOESY' . . . 16100 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $XEASY . . 16100 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 2 2 GLY HA2 H 1 3.948 0.020 . 2 . . . . 2 GLY HA2 . 16100 1 2 . 1 1 2 2 GLY HA3 H 1 3.940 0.020 . 2 . . . . 2 GLY HA3 . 16100 1 3 . 1 1 2 2 GLY CA C 13 44.724 0.400 . 1 . . . . 2 GLY CA . 16100 1 4 . 1 1 3 3 GLU H H 1 8.259 0.020 . 1 . . . . 3 GLU H . 16100 1 5 . 1 1 3 3 GLU HA H 1 4.392 0.020 . 1 . . . . 3 GLU HA . 16100 1 6 . 1 1 3 3 GLU HB2 H 1 1.750 0.020 . 2 . . . . 3 GLU HB2 . 16100 1 7 . 1 1 3 3 GLU HB3 H 1 1.702 0.020 . 2 . . . . 3 GLU HB3 . 16100 1 8 . 1 1 3 3 GLU HG2 H 1 1.970 0.020 . 2 . . . . 3 GLU HG2 . 16100 1 9 . 1 1 3 3 GLU HG3 H 1 1.967 0.020 . 2 . . . . 3 GLU HG3 . 16100 1 10 . 1 1 3 3 GLU CA C 13 55.880 0.400 . 1 . . . . 3 GLU CA . 16100 1 11 . 1 1 3 3 GLU CB C 13 30.626 0.400 . 1 . . . . 3 GLU CB . 16100 1 12 . 1 1 3 3 GLU CG C 13 35.476 0.400 . 1 . . . . 3 GLU CG . 16100 1 13 . 1 1 3 3 GLU N N 15 119.451 0.400 . 1 . . . . 3 GLU N . 16100 1 14 . 1 1 4 4 THR H H 1 8.819 0.020 . 1 . . . . 4 THR H . 16100 1 15 . 1 1 4 4 THR HA H 1 4.225 0.020 . 1 . . . . 4 THR HA . 16100 1 16 . 1 1 4 4 THR HB H 1 2.929 0.020 . 1 . . . . 4 THR HB . 16100 1 17 . 1 1 4 4 THR HG21 H 1 0.975 0.020 . 1 . . . . 4 THR HG2 . 16100 1 18 . 1 1 4 4 THR HG22 H 1 0.975 0.020 . 1 . . . . 4 THR HG2 . 16100 1 19 . 1 1 4 4 THR HG23 H 1 0.975 0.020 . 1 . . . . 4 THR HG2 . 16100 1 20 . 1 1 4 4 THR CA C 13 62.626 0.400 . 1 . . . . 4 THR CA . 16100 1 21 . 1 1 4 4 THR CB C 13 69.978 0.400 . 1 . . . . 4 THR CB . 16100 1 22 . 1 1 4 4 THR CG2 C 13 20.820 0.400 . 1 . . . . 4 THR CG2 . 16100 1 23 . 1 1 4 4 THR N N 15 122.510 0.400 . 1 . . . . 4 THR N . 16100 1 24 . 1 1 5 5 VAL H H 1 8.307 0.020 . 1 . . . . 5 VAL H . 16100 1 25 . 1 1 5 5 VAL HA H 1 4.797 0.020 . 1 . . . . 5 VAL HA . 16100 1 26 . 1 1 5 5 VAL HB H 1 1.819 0.020 . 1 . . . . 5 VAL HB . 16100 1 27 . 1 1 5 5 VAL HG11 H 1 0.818 0.020 . 2 . . . . 5 VAL HG1 . 16100 1 28 . 1 1 5 5 VAL HG12 H 1 0.818 0.020 . 2 . . . . 5 VAL HG1 . 16100 1 29 . 1 1 5 5 VAL HG13 H 1 0.818 0.020 . 2 . . . . 5 VAL HG1 . 16100 1 30 . 1 1 5 5 VAL HG21 H 1 0.731 0.020 . 2 . . . . 5 VAL HG2 . 16100 1 31 . 1 1 5 5 VAL HG22 H 1 0.731 0.020 . 2 . . . . 5 VAL HG2 . 16100 1 32 . 1 1 5 5 VAL HG23 H 1 0.731 0.020 . 2 . . . . 5 VAL HG2 . 16100 1 33 . 1 1 5 5 VAL CA C 13 60.724 0.400 . 1 . . . . 5 VAL CA . 16100 1 34 . 1 1 5 5 VAL CB C 13 33.724 0.400 . 1 . . . . 5 VAL CB . 16100 1 35 . 1 1 5 5 VAL CG1 C 13 20.691 0.400 . 1 . . . . 5 VAL CG1 . 16100 1 36 . 1 1 5 5 VAL CG2 C 13 20.610 0.400 . 1 . . . . 5 VAL CG2 . 16100 1 37 . 1 1 5 5 VAL N N 15 125.677 0.400 . 1 . . . . 5 VAL N . 16100 1 38 . 1 1 6 6 VAL H H 1 9.421 0.020 . 1 . . . . 6 VAL H . 16100 1 39 . 1 1 6 6 VAL HA H 1 4.383 0.020 . 1 . . . . 6 VAL HA . 16100 1 40 . 1 1 6 6 VAL HB H 1 2.023 0.020 . 1 . . . . 6 VAL HB . 16100 1 41 . 1 1 6 6 VAL HG11 H 1 0.943 0.020 . 2 . . . . 6 VAL HG1 . 16100 1 42 . 1 1 6 6 VAL HG12 H 1 0.943 0.020 . 2 . . . . 6 VAL HG1 . 16100 1 43 . 1 1 6 6 VAL HG13 H 1 0.943 0.020 . 2 . . . . 6 VAL HG1 . 16100 1 44 . 1 1 6 6 VAL HG21 H 1 0.888 0.020 . 2 . . . . 6 VAL HG2 . 16100 1 45 . 1 1 6 6 VAL HG22 H 1 0.888 0.020 . 2 . . . . 6 VAL HG2 . 16100 1 46 . 1 1 6 6 VAL HG23 H 1 0.888 0.020 . 2 . . . . 6 VAL HG2 . 16100 1 47 . 1 1 6 6 VAL CA C 13 60.511 0.400 . 1 . . . . 6 VAL CA . 16100 1 48 . 1 1 6 6 VAL CB C 13 33.952 0.400 . 1 . . . . 6 VAL CB . 16100 1 49 . 1 1 6 6 VAL CG1 C 13 20.899 0.400 . 1 . . . . 6 VAL CG1 . 16100 1 50 . 1 1 6 6 VAL CG2 C 13 21.932 0.400 . 1 . . . . 6 VAL CG2 . 16100 1 51 . 1 1 6 6 VAL N N 15 128.035 0.400 . 1 . . . . 6 VAL N . 16100 1 52 . 1 1 7 7 ARG H H 1 8.601 0.020 . 1 . . . . 7 ARG H . 16100 1 53 . 1 1 7 7 ARG HA H 1 5.674 0.020 . 1 . . . . 7 ARG HA . 16100 1 54 . 1 1 7 7 ARG HB2 H 1 1.660 0.020 . 2 . . . . 7 ARG HB2 . 16100 1 55 . 1 1 7 7 ARG HB3 H 1 1.576 0.020 . 2 . . . . 7 ARG HB3 . 16100 1 56 . 1 1 7 7 ARG HD2 H 1 3.006 0.020 . 2 . . . . 7 ARG HD2 . 16100 1 57 . 1 1 7 7 ARG HD3 H 1 2.992 0.020 . 2 . . . . 7 ARG HD3 . 16100 1 58 . 1 1 7 7 ARG HE H 1 7.207 0.020 . 1 . . . . 7 ARG HE . 16100 1 59 . 1 1 7 7 ARG HG2 H 1 1.440 0.020 . 2 . . . . 7 ARG HG2 . 16100 1 60 . 1 1 7 7 ARG HG3 H 1 1.424 0.020 . 2 . . . . 7 ARG HG3 . 16100 1 61 . 1 1 7 7 ARG CA C 13 54.064 0.400 . 1 . . . . 7 ARG CA . 16100 1 62 . 1 1 7 7 ARG CB C 13 33.740 0.400 . 1 . . . . 7 ARG CB . 16100 1 63 . 1 1 7 7 ARG CD C 13 43.355 0.400 . 1 . . . . 7 ARG CD . 16100 1 64 . 1 1 7 7 ARG CG C 13 26.781 0.400 . 1 . . . . 7 ARG CG . 16100 1 65 . 1 1 7 7 ARG N N 15 125.676 0.400 . 1 . . . . 7 ARG N . 16100 1 66 . 1 1 8 8 ASP H H 1 8.853 0.020 . 1 . . . . 8 ASP H . 16100 1 67 . 1 1 8 8 ASP HA H 1 4.858 0.020 . 1 . . . . 8 ASP HA . 16100 1 68 . 1 1 8 8 ASP HB2 H 1 2.683 0.020 . 2 . . . . 8 ASP HB2 . 16100 1 69 . 1 1 8 8 ASP HB3 H 1 2.436 0.020 . 2 . . . . 8 ASP HB3 . 16100 1 70 . 1 1 8 8 ASP CA C 13 53.286 0.400 . 1 . . . . 8 ASP CA . 16100 1 71 . 1 1 8 8 ASP CB C 13 43.686 0.400 . 1 . . . . 8 ASP CB . 16100 1 72 . 1 1 8 8 ASP N N 15 122.072 0.400 . 1 . . . . 8 ASP N . 16100 1 73 . 1 1 9 9 ALA H H 1 8.579 0.020 . 1 . . . . 9 ALA H . 16100 1 74 . 1 1 9 9 ALA HA H 1 5.735 0.020 . 1 . . . . 9 ALA HA . 16100 1 75 . 1 1 9 9 ALA HB1 H 1 1.270 0.020 . 1 . . . . 9 ALA HB . 16100 1 76 . 1 1 9 9 ALA HB2 H 1 1.270 0.020 . 1 . . . . 9 ALA HB . 16100 1 77 . 1 1 9 9 ALA HB3 H 1 1.270 0.020 . 1 . . . . 9 ALA HB . 16100 1 78 . 1 1 9 9 ALA CA C 13 50.691 0.400 . 1 . . . . 9 ALA CA . 16100 1 79 . 1 1 9 9 ALA CB C 13 24.053 0.400 . 1 . . . . 9 ALA CB . 16100 1 80 . 1 1 9 9 ALA N N 15 121.421 0.400 . 1 . . . . 9 ALA N . 16100 1 81 . 1 1 10 10 VAL H H 1 8.758 0.020 . 1 . . . . 10 VAL H . 16100 1 82 . 1 1 10 10 VAL HA H 1 4.705 0.020 . 1 . . . . 10 VAL HA . 16100 1 83 . 1 1 10 10 VAL HB H 1 2.129 0.020 . 1 . . . . 10 VAL HB . 16100 1 84 . 1 1 10 10 VAL HG11 H 1 1.060 0.020 . 2 . . . . 10 VAL HG1 . 16100 1 85 . 1 1 10 10 VAL HG12 H 1 1.060 0.020 . 2 . . . . 10 VAL HG1 . 16100 1 86 . 1 1 10 10 VAL HG13 H 1 1.060 0.020 . 2 . . . . 10 VAL HG1 . 16100 1 87 . 1 1 10 10 VAL HG21 H 1 1.069 0.020 . 2 . . . . 10 VAL HG2 . 16100 1 88 . 1 1 10 10 VAL HG22 H 1 1.069 0.020 . 2 . . . . 10 VAL HG2 . 16100 1 89 . 1 1 10 10 VAL HG23 H 1 1.069 0.020 . 2 . . . . 10 VAL HG2 . 16100 1 90 . 1 1 10 10 VAL CA C 13 59.772 0.400 . 1 . . . . 10 VAL CA . 16100 1 91 . 1 1 10 10 VAL CB C 13 35.989 0.400 . 1 . . . . 10 VAL CB . 16100 1 92 . 1 1 10 10 VAL CG1 C 13 21.318 0.400 . 1 . . . . 10 VAL CG1 . 16100 1 93 . 1 1 10 10 VAL CG2 C 13 20.616 0.400 . 1 . . . . 10 VAL CG2 . 16100 1 94 . 1 1 10 10 VAL N N 15 116.077 0.400 . 1 . . . . 10 VAL N . 16100 1 95 . 1 1 11 11 THR H H 1 8.639 0.020 . 1 . . . . 11 THR H . 16100 1 96 . 1 1 11 11 THR HA H 1 5.143 0.020 . 1 . . . . 11 THR HA . 16100 1 97 . 1 1 11 11 THR HB H 1 3.931 0.020 . 1 . . . . 11 THR HB . 16100 1 98 . 1 1 11 11 THR HG21 H 1 0.945 0.020 . 1 . . . . 11 THR HG2 . 16100 1 99 . 1 1 11 11 THR HG22 H 1 0.945 0.020 . 1 . . . . 11 THR HG2 . 16100 1 100 . 1 1 11 11 THR HG23 H 1 0.945 0.020 . 1 . . . . 11 THR HG2 . 16100 1 101 . 1 1 11 11 THR CA C 13 61.935 0.400 . 1 . . . . 11 THR CA . 16100 1 102 . 1 1 11 11 THR CB C 13 69.113 0.400 . 1 . . . . 11 THR CB . 16100 1 103 . 1 1 11 11 THR CG2 C 13 21.440 0.400 . 1 . . . . 11 THR CG2 . 16100 1 104 . 1 1 11 11 THR N N 15 120.359 0.400 . 1 . . . . 11 THR N . 16100 1 105 . 1 1 12 12 ILE H H 1 9.318 0.020 . 1 . . . . 12 ILE H . 16100 1 106 . 1 1 12 12 ILE HA H 1 4.448 0.020 . 1 . . . . 12 ILE HA . 16100 1 107 . 1 1 12 12 ILE HB H 1 1.723 0.020 . 1 . . . . 12 ILE HB . 16100 1 108 . 1 1 12 12 ILE HD11 H 1 0.817 0.020 . 1 . . . . 12 ILE HD1 . 16100 1 109 . 1 1 12 12 ILE HD12 H 1 0.817 0.020 . 1 . . . . 12 ILE HD1 . 16100 1 110 . 1 1 12 12 ILE HD13 H 1 0.817 0.020 . 1 . . . . 12 ILE HD1 . 16100 1 111 . 1 1 12 12 ILE HG12 H 1 1.150 0.020 . 2 . . . . 12 ILE HG12 . 16100 1 112 . 1 1 12 12 ILE HG13 H 1 1.032 0.020 . 2 . . . . 12 ILE HG13 . 16100 1 113 . 1 1 12 12 ILE HG21 H 1 0.901 0.020 . 1 . . . . 12 ILE HG2 . 16100 1 114 . 1 1 12 12 ILE HG22 H 1 0.901 0.020 . 1 . . . . 12 ILE HG2 . 16100 1 115 . 1 1 12 12 ILE HG23 H 1 0.901 0.020 . 1 . . . . 12 ILE HG2 . 16100 1 116 . 1 1 12 12 ILE CA C 13 59.599 0.400 . 1 . . . . 12 ILE CA . 16100 1 117 . 1 1 12 12 ILE CB C 13 41.091 0.400 . 1 . . . . 12 ILE CB . 16100 1 118 . 1 1 12 12 ILE CD1 C 13 15.356 0.400 . 1 . . . . 12 ILE CD1 . 16100 1 119 . 1 1 12 12 ILE CG1 C 13 27.650 0.400 . 1 . . . . 12 ILE CG1 . 16100 1 120 . 1 1 12 12 ILE CG2 C 13 17.539 0.400 . 1 . . . . 12 ILE CG2 . 16100 1 121 . 1 1 12 12 ILE N N 15 125.268 0.400 . 1 . . . . 12 ILE N . 16100 1 122 . 1 1 13 13 GLY H H 1 10.403 0.020 . 1 . . . . 13 GLY H . 16100 1 123 . 1 1 13 13 GLY HA2 H 1 4.579 0.020 . 2 . . . . 13 GLY HA2 . 16100 1 124 . 1 1 13 13 GLY HA3 H 1 3.501 0.020 . 2 . . . . 13 GLY HA3 . 16100 1 125 . 1 1 13 13 GLY CA C 13 47.837 0.400 . 1 . . . . 13 GLY CA . 16100 1 126 . 1 1 13 13 GLY N N 15 120.402 0.400 . 1 . . . . 13 GLY N . 16100 1 127 . 1 1 14 14 LYS H H 1 8.610 0.020 . 1 . . . . 14 LYS H . 16100 1 128 . 1 1 14 14 LYS HA H 1 4.891 0.020 . 1 . . . . 14 LYS HA . 16100 1 129 . 1 1 14 14 LYS HB2 H 1 1.704 0.020 . 2 . . . . 14 LYS HB2 . 16100 1 130 . 1 1 14 14 LYS HB3 H 1 1.356 0.020 . 2 . . . . 14 LYS HB3 . 16100 1 131 . 1 1 14 14 LYS HD2 H 1 1.951 0.020 . 2 . . . . 14 LYS HD2 . 16100 1 132 . 1 1 14 14 LYS HD3 H 1 1.736 0.020 . 2 . . . . 14 LYS HD3 . 16100 1 133 . 1 1 14 14 LYS HE2 H 1 3.064 0.020 . 2 . . . . 14 LYS HE2 . 16100 1 134 . 1 1 14 14 LYS HE3 H 1 2.948 0.020 . 2 . . . . 14 LYS HE3 . 16100 1 135 . 1 1 14 14 LYS HG2 H 1 1.534 0.020 . 2 . . . . 14 LYS HG2 . 16100 1 136 . 1 1 14 14 LYS HG3 H 1 1.260 0.020 . 2 . . . . 14 LYS HG3 . 16100 1 137 . 1 1 14 14 LYS CA C 13 52.508 0.400 . 1 . . . . 14 LYS CA . 16100 1 138 . 1 1 14 14 LYS CB C 13 36.343 0.400 . 1 . . . . 14 LYS CB . 16100 1 139 . 1 1 14 14 LYS CD C 13 28.422 0.400 . 1 . . . . 14 LYS CD . 16100 1 140 . 1 1 14 14 LYS CE C 13 42.050 0.400 . 1 . . . . 14 LYS CE . 16100 1 141 . 1 1 14 14 LYS CG C 13 24.765 0.400 . 1 . . . . 14 LYS CG . 16100 1 142 . 1 1 14 14 LYS N N 15 122.883 0.400 . 1 . . . . 14 LYS N . 16100 1 143 . 1 1 15 15 PRO HA H 1 4.449 0.020 . 1 . . . . 15 PRO HA . 16100 1 144 . 1 1 15 15 PRO HB2 H 1 2.567 0.020 . 2 . . . . 15 PRO HB2 . 16100 1 145 . 1 1 15 15 PRO HB3 H 1 1.984 0.020 . 2 . . . . 15 PRO HB3 . 16100 1 146 . 1 1 15 15 PRO HD2 H 1 3.874 0.020 . 2 . . . . 15 PRO HD2 . 16100 1 147 . 1 1 15 15 PRO HD3 H 1 3.466 0.020 . 2 . . . . 15 PRO HD3 . 16100 1 148 . 1 1 15 15 PRO HG2 H 1 2.081 0.020 . 2 . . . . 15 PRO HG2 . 16100 1 149 . 1 1 15 15 PRO HG3 H 1 2.029 0.020 . 2 . . . . 15 PRO HG3 . 16100 1 150 . 1 1 15 15 PRO CA C 13 62.280 0.400 . 1 . . . . 15 PRO CA . 16100 1 151 . 1 1 15 15 PRO CB C 13 32.875 0.400 . 1 . . . . 15 PRO CB . 16100 1 152 . 1 1 15 15 PRO CD C 13 51.232 0.400 . 1 . . . . 15 PRO CD . 16100 1 153 . 1 1 15 15 PRO CG C 13 27.651 0.400 . 1 . . . . 15 PRO CG . 16100 1 154 . 1 1 16 16 ALA H H 1 8.509 0.020 . 1 . . . . 16 ALA H . 16100 1 155 . 1 1 16 16 ALA HA H 1 3.801 0.020 . 1 . . . . 16 ALA HA . 16100 1 156 . 1 1 16 16 ALA HB1 H 1 1.480 0.020 . 1 . . . . 16 ALA HB . 16100 1 157 . 1 1 16 16 ALA HB2 H 1 1.480 0.020 . 1 . . . . 16 ALA HB . 16100 1 158 . 1 1 16 16 ALA HB3 H 1 1.480 0.020 . 1 . . . . 16 ALA HB . 16100 1 159 . 1 1 16 16 ALA CA C 13 56.053 0.400 . 1 . . . . 16 ALA CA . 16100 1 160 . 1 1 16 16 ALA CB C 13 19.037 0.400 . 1 . . . . 16 ALA CB . 16100 1 161 . 1 1 16 16 ALA N N 15 125.684 0.400 . 1 . . . . 16 ALA N . 16100 1 162 . 1 1 17 17 GLU H H 1 9.433 0.020 . 1 . . . . 17 GLU H . 16100 1 163 . 1 1 17 17 GLU HA H 1 3.706 0.020 . 1 . . . . 17 GLU HA . 16100 1 164 . 1 1 17 17 GLU HB2 H 1 2.089 0.020 . 2 . . . . 17 GLU HB2 . 16100 1 165 . 1 1 17 17 GLU HB3 H 1 2.017 0.020 . 2 . . . . 17 GLU HB3 . 16100 1 166 . 1 1 17 17 GLU HG2 H 1 2.401 0.020 . 2 . . . . 17 GLU HG2 . 16100 1 167 . 1 1 17 17 GLU HG3 H 1 2.301 0.020 . 2 . . . . 17 GLU HG3 . 16100 1 168 . 1 1 17 17 GLU CA C 13 60.551 0.400 . 1 . . . . 17 GLU CA . 16100 1 169 . 1 1 17 17 GLU CB C 13 27.859 0.400 . 1 . . . . 17 GLU CB . 16100 1 170 . 1 1 17 17 GLU CG C 13 35.472 0.400 . 1 . . . . 17 GLU CG . 16100 1 171 . 1 1 17 17 GLU N N 15 115.647 0.400 . 1 . . . . 17 GLU N . 16100 1 172 . 1 1 18 18 GLN H H 1 7.020 0.020 . 1 . . . . 18 GLN H . 16100 1 173 . 1 1 18 18 GLN HA H 1 4.171 0.020 . 1 . . . . 18 GLN HA . 16100 1 174 . 1 1 18 18 GLN HB2 H 1 2.086 0.020 . 2 . . . . 18 GLN HB2 . 16100 1 175 . 1 1 18 18 GLN HB3 H 1 2.075 0.020 . 2 . . . . 18 GLN HB3 . 16100 1 176 . 1 1 18 18 GLN HG2 H 1 2.438 0.020 . 2 . . . . 18 GLN HG2 . 16100 1 177 . 1 1 18 18 GLN HG3 H 1 2.430 0.020 . 2 . . . . 18 GLN HG3 . 16100 1 178 . 1 1 18 18 GLN CA C 13 58.216 0.400 . 1 . . . . 18 GLN CA . 16100 1 179 . 1 1 18 18 GLN CB C 13 28.551 0.400 . 1 . . . . 18 GLN CB . 16100 1 180 . 1 1 18 18 GLN CG C 13 33.720 0.400 . 1 . . . . 18 GLN CG . 16100 1 181 . 1 1 18 18 GLN N N 15 116.713 0.400 . 1 . . . . 18 GLN N . 16100 1 182 . 1 1 19 19 LEU H H 1 7.206 0.020 . 1 . . . . 19 LEU H . 16100 1 183 . 1 1 19 19 LEU HA H 1 4.263 0.020 . 1 . . . . 19 LEU HA . 16100 1 184 . 1 1 19 19 LEU HB2 H 1 1.966 0.020 . 2 . . . . 19 LEU HB2 . 16100 1 185 . 1 1 19 19 LEU HB3 H 1 1.588 0.020 . 2 . . . . 19 LEU HB3 . 16100 1 186 . 1 1 19 19 LEU HD11 H 1 0.931 0.020 . 2 . . . . 19 LEU HD1 . 16100 1 187 . 1 1 19 19 LEU HD12 H 1 0.931 0.020 . 2 . . . . 19 LEU HD1 . 16100 1 188 . 1 1 19 19 LEU HD13 H 1 0.931 0.020 . 2 . . . . 19 LEU HD1 . 16100 1 189 . 1 1 19 19 LEU HD21 H 1 0.826 0.020 . 2 . . . . 19 LEU HD2 . 16100 1 190 . 1 1 19 19 LEU HD22 H 1 0.826 0.020 . 2 . . . . 19 LEU HD2 . 16100 1 191 . 1 1 19 19 LEU HD23 H 1 0.826 0.020 . 2 . . . . 19 LEU HD2 . 16100 1 192 . 1 1 19 19 LEU HG H 1 1.821 0.020 . 1 . . . . 19 LEU HG . 16100 1 193 . 1 1 19 19 LEU CA C 13 57.178 0.400 . 1 . . . . 19 LEU CA . 16100 1 194 . 1 1 19 19 LEU CB C 13 42.129 0.400 . 1 . . . . 19 LEU CB . 16100 1 195 . 1 1 19 19 LEU CD1 C 13 27.252 0.400 . 1 . . . . 19 LEU CD1 . 16100 1 196 . 1 1 19 19 LEU CD2 C 13 22.784 0.400 . 1 . . . . 19 LEU CD2 . 16100 1 197 . 1 1 19 19 LEU CG C 13 26.770 0.400 . 1 . . . . 19 LEU CG . 16100 1 198 . 1 1 19 19 LEU N N 15 118.756 0.400 . 1 . . . . 19 LEU N . 16100 1 199 . 1 1 20 20 TYR H H 1 8.287 0.020 . 1 . . . . 20 TYR H . 16100 1 200 . 1 1 20 20 TYR HA H 1 3.544 0.020 . 1 . . . . 20 TYR HA . 16100 1 201 . 1 1 20 20 TYR HB2 H 1 2.712 0.020 . 2 . . . . 20 TYR HB2 . 16100 1 202 . 1 1 20 20 TYR HB3 H 1 1.907 0.020 . 2 . . . . 20 TYR HB3 . 16100 1 203 . 1 1 20 20 TYR HD1 H 1 6.930 0.020 . 1 . . . . 20 TYR HD1 . 16100 1 204 . 1 1 20 20 TYR HD2 H 1 6.930 0.020 . 1 . . . . 20 TYR HD2 . 16100 1 205 . 1 1 20 20 TYR HE1 H 1 7.503 0.020 . 1 . . . . 20 TYR HE1 . 16100 1 206 . 1 1 20 20 TYR HE2 H 1 7.503 0.020 . 1 . . . . 20 TYR HE2 . 16100 1 207 . 1 1 20 20 TYR CA C 13 60.683 0.400 . 1 . . . . 20 TYR CA . 16100 1 208 . 1 1 20 20 TYR CB C 13 37.218 0.400 . 1 . . . . 20 TYR CB . 16100 1 209 . 1 1 20 20 TYR CD1 C 13 132.339 0.400 . 1 . . . . 20 TYR CD1 . 16100 1 210 . 1 1 20 20 TYR CE1 C 13 118.306 0.400 . 1 . . . . 20 TYR CE1 . 16100 1 211 . 1 1 20 20 TYR N N 15 120.392 0.400 . 1 . . . . 20 TYR N . 16100 1 212 . 1 1 21 21 ALA H H 1 7.465 0.020 . 1 . . . . 21 ALA H . 16100 1 213 . 1 1 21 21 ALA HA H 1 3.670 0.020 . 1 . . . . 21 ALA HA . 16100 1 214 . 1 1 21 21 ALA HB1 H 1 1.519 0.020 . 1 . . . . 21 ALA HB . 16100 1 215 . 1 1 21 21 ALA HB2 H 1 1.519 0.020 . 1 . . . . 21 ALA HB . 16100 1 216 . 1 1 21 21 ALA HB3 H 1 1.519 0.020 . 1 . . . . 21 ALA HB . 16100 1 217 . 1 1 21 21 ALA CA C 13 54.670 0.400 . 1 . . . . 21 ALA CA . 16100 1 218 . 1 1 21 21 ALA CB C 13 17.826 0.400 . 1 . . . . 21 ALA CB . 16100 1 219 . 1 1 21 21 ALA N N 15 119.301 0.400 . 1 . . . . 21 ALA N . 16100 1 220 . 1 1 22 22 VAL H H 1 7.129 0.020 . 1 . . . . 22 VAL H . 16100 1 221 . 1 1 22 22 VAL HA H 1 3.670 0.020 . 1 . . . . 22 VAL HA . 16100 1 222 . 1 1 22 22 VAL HB H 1 2.311 0.020 . 1 . . . . 22 VAL HB . 16100 1 223 . 1 1 22 22 VAL HG11 H 1 1.217 0.020 . 2 . . . . 22 VAL HG1 . 16100 1 224 . 1 1 22 22 VAL HG12 H 1 1.217 0.020 . 2 . . . . 22 VAL HG1 . 16100 1 225 . 1 1 22 22 VAL HG13 H 1 1.217 0.020 . 2 . . . . 22 VAL HG1 . 16100 1 226 . 1 1 22 22 VAL HG21 H 1 0.846 0.020 . 2 . . . . 22 VAL HG2 . 16100 1 227 . 1 1 22 22 VAL HG22 H 1 0.846 0.020 . 2 . . . . 22 VAL HG2 . 16100 1 228 . 1 1 22 22 VAL HG23 H 1 0.846 0.020 . 2 . . . . 22 VAL HG2 . 16100 1 229 . 1 1 22 22 VAL CA C 13 65.653 0.400 . 1 . . . . 22 VAL CA . 16100 1 230 . 1 1 22 22 VAL CB C 13 31.924 0.400 . 1 . . . . 22 VAL CB . 16100 1 231 . 1 1 22 22 VAL CG1 C 13 22.042 0.400 . 1 . . . . 22 VAL CG1 . 16100 1 232 . 1 1 22 22 VAL CG2 C 13 22.042 0.400 . 1 . . . . 22 VAL CG2 . 16100 1 233 . 1 1 22 22 VAL N N 15 115.785 0.400 . 1 . . . . 22 VAL N . 16100 1 234 . 1 1 23 23 TRP H H 1 7.153 0.020 . 1 . . . . 23 TRP H . 16100 1 235 . 1 1 23 23 TRP HA H 1 3.622 0.020 . 1 . . . . 23 TRP HA . 16100 1 236 . 1 1 23 23 TRP HB2 H 1 3.244 0.020 . 2 . . . . 23 TRP HB2 . 16100 1 237 . 1 1 23 23 TRP HB3 H 1 2.922 0.020 . 2 . . . . 23 TRP HB3 . 16100 1 238 . 1 1 23 23 TRP HD1 H 1 7.467 0.020 . 1 . . . . 23 TRP HD1 . 16100 1 239 . 1 1 23 23 TRP HH2 H 1 7.060 0.020 . 1 . . . . 23 TRP HH2 . 16100 1 240 . 1 1 23 23 TRP HZ2 H 1 7.373 0.020 . 1 . . . . 23 TRP HZ2 . 16100 1 241 . 1 1 23 23 TRP CA C 13 60.464 0.400 . 1 . . . . 23 TRP CA . 16100 1 242 . 1 1 23 23 TRP CB C 13 29.076 0.400 . 1 . . . . 23 TRP CB . 16100 1 243 . 1 1 23 23 TRP CD1 C 13 124.304 0.400 . 1 . . . . 23 TRP CD1 . 16100 1 244 . 1 1 23 23 TRP N N 15 119.845 0.400 . 1 . . . . 23 TRP N . 16100 1 245 . 1 1 24 24 ARG H H 1 7.922 0.020 . 1 . . . . 24 ARG H . 16100 1 246 . 1 1 24 24 ARG HA H 1 3.988 0.020 . 1 . . . . 24 ARG HA . 16100 1 247 . 1 1 24 24 ARG HB2 H 1 1.388 0.020 . 2 . . . . 24 ARG HB2 . 16100 1 248 . 1 1 24 24 ARG HB3 H 1 0.791 0.020 . 2 . . . . 24 ARG HB3 . 16100 1 249 . 1 1 24 24 ARG HD2 H 1 3.130 0.020 . 2 . . . . 24 ARG HD2 . 16100 1 250 . 1 1 24 24 ARG HD3 H 1 3.130 0.020 . 2 . . . . 24 ARG HD3 . 16100 1 251 . 1 1 24 24 ARG HG2 H 1 0.938 0.020 . 2 . . . . 24 ARG HG2 . 16100 1 252 . 1 1 24 24 ARG HG3 H 1 0.933 0.020 . 2 . . . . 24 ARG HG3 . 16100 1 253 . 1 1 24 24 ARG CA C 13 52.767 0.400 . 1 . . . . 24 ARG CA . 16100 1 254 . 1 1 24 24 ARG CB C 13 29.243 0.400 . 1 . . . . 24 ARG CB . 16100 1 255 . 1 1 24 24 ARG CD C 13 43.100 0.400 . 1 . . . . 24 ARG CD . 16100 1 256 . 1 1 24 24 ARG CG C 13 27.178 0.400 . 1 . . . . 24 ARG CG . 16100 1 257 . 1 1 24 24 ARG N N 15 111.929 0.400 . 1 . . . . 24 ARG N . 16100 1 258 . 1 1 25 25 ASP H H 1 6.740 0.020 . 1 . . . . 25 ASP H . 16100 1 259 . 1 1 25 25 ASP HA H 1 4.655 0.020 . 1 . . . . 25 ASP HA . 16100 1 260 . 1 1 25 25 ASP HB2 H 1 2.971 0.020 . 2 . . . . 25 ASP HB2 . 16100 1 261 . 1 1 25 25 ASP HB3 H 1 2.476 0.020 . 2 . . . . 25 ASP HB3 . 16100 1 262 . 1 1 25 25 ASP CA C 13 51.470 0.400 . 1 . . . . 25 ASP CA . 16100 1 263 . 1 1 25 25 ASP CB C 13 37.891 0.400 . 1 . . . . 25 ASP CB . 16100 1 264 . 1 1 25 25 ASP N N 15 117.196 0.400 . 1 . . . . 25 ASP N . 16100 1 265 . 1 1 26 26 LEU H H 1 7.945 0.020 . 1 . . . . 26 LEU H . 16100 1 266 . 1 1 26 26 LEU HA H 1 3.820 0.020 . 1 . . . . 26 LEU HA . 16100 1 267 . 1 1 26 26 LEU HB2 H 1 1.485 0.020 . 2 . . . . 26 LEU HB2 . 16100 1 268 . 1 1 26 26 LEU HB3 H 1 0.966 0.020 . 2 . . . . 26 LEU HB3 . 16100 1 269 . 1 1 26 26 LEU HD11 H 1 0.792 0.020 . 2 . . . . 26 LEU HD1 . 16100 1 270 . 1 1 26 26 LEU HD12 H 1 0.792 0.020 . 2 . . . . 26 LEU HD1 . 16100 1 271 . 1 1 26 26 LEU HD13 H 1 0.792 0.020 . 2 . . . . 26 LEU HD1 . 16100 1 272 . 1 1 26 26 LEU HD21 H 1 0.317 0.020 . 2 . . . . 26 LEU HD2 . 16100 1 273 . 1 1 26 26 LEU HD22 H 1 0.317 0.020 . 2 . . . . 26 LEU HD2 . 16100 1 274 . 1 1 26 26 LEU HD23 H 1 0.317 0.020 . 2 . . . . 26 LEU HD2 . 16100 1 275 . 1 1 26 26 LEU HG H 1 1.522 0.020 . 1 . . . . 26 LEU HG . 16100 1 276 . 1 1 26 26 LEU CA C 13 58.697 0.400 . 1 . . . . 26 LEU CA . 16100 1 277 . 1 1 26 26 LEU CB C 13 38.929 0.400 . 1 . . . . 26 LEU CB . 16100 1 278 . 1 1 26 26 LEU CD1 C 13 21.273 0.400 . 1 . . . . 26 LEU CD1 . 16100 1 279 . 1 1 26 26 LEU CD2 C 13 25.428 0.400 . 1 . . . . 26 LEU CD2 . 16100 1 280 . 1 1 26 26 LEU CG C 13 26.770 0.400 . 1 . . . . 26 LEU CG . 16100 1 281 . 1 1 26 26 LEU N N 15 125.403 0.400 . 1 . . . . 26 LEU N . 16100 1 282 . 1 1 27 27 PRO HA H 1 4.584 0.020 . 1 . . . . 27 PRO HA . 16100 1 283 . 1 1 27 27 PRO HB2 H 1 2.456 0.020 . 2 . . . . 27 PRO HB2 . 16100 1 284 . 1 1 27 27 PRO HB3 H 1 2.016 0.020 . 2 . . . . 27 PRO HB3 . 16100 1 285 . 1 1 27 27 PRO HD2 H 1 3.639 0.020 . 2 . . . . 27 PRO HD2 . 16100 1 286 . 1 1 27 27 PRO HD3 H 1 3.481 0.020 . 2 . . . . 27 PRO HD3 . 16100 1 287 . 1 1 27 27 PRO HG2 H 1 1.930 0.020 . 2 . . . . 27 PRO HG2 . 16100 1 288 . 1 1 27 27 PRO HG3 H 1 1.921 0.020 . 2 . . . . 27 PRO HG3 . 16100 1 289 . 1 1 27 27 PRO CA C 13 62.453 0.400 . 1 . . . . 27 PRO CA . 16100 1 290 . 1 1 27 27 PRO CB C 13 31.946 0.400 . 1 . . . . 27 PRO CB . 16100 1 291 . 1 1 27 27 PRO CD C 13 50.212 0.400 . 1 . . . . 27 PRO CD . 16100 1 292 . 1 1 27 27 PRO CG C 13 27.140 0.400 . 1 . . . . 27 PRO CG . 16100 1 293 . 1 1 28 28 GLY H H 1 8.344 0.020 . 1 . . . . 28 GLY H . 16100 1 294 . 1 1 28 28 GLY HA2 H 1 4.049 0.020 . 2 . . . . 28 GLY HA2 . 16100 1 295 . 1 1 28 28 GLY HA3 H 1 3.553 0.020 . 2 . . . . 28 GLY HA3 . 16100 1 296 . 1 1 28 28 GLY CA C 13 44.205 0.400 . 1 . . . . 28 GLY CA . 16100 1 297 . 1 1 28 28 GLY N N 15 106.650 0.400 . 1 . . . . 28 GLY N . 16100 1 298 . 1 1 29 29 LEU H H 1 8.000 0.020 . 1 . . . . 29 LEU H . 16100 1 299 . 1 1 29 29 LEU HA H 1 3.755 0.020 . 1 . . . . 29 LEU HA . 16100 1 300 . 1 1 29 29 LEU HB2 H 1 1.399 0.020 . 2 . . . . 29 LEU HB2 . 16100 1 301 . 1 1 29 29 LEU HB3 H 1 0.700 0.020 . 2 . . . . 29 LEU HB3 . 16100 1 302 . 1 1 29 29 LEU HD11 H 1 0.456 0.020 . 2 . . . . 29 LEU HD1 . 16100 1 303 . 1 1 29 29 LEU HD12 H 1 0.456 0.020 . 2 . . . . 29 LEU HD1 . 16100 1 304 . 1 1 29 29 LEU HD13 H 1 0.456 0.020 . 2 . . . . 29 LEU HD1 . 16100 1 305 . 1 1 29 29 LEU HD21 H 1 0.325 0.020 . 2 . . . . 29 LEU HD2 . 16100 1 306 . 1 1 29 29 LEU HD22 H 1 0.325 0.020 . 2 . . . . 29 LEU HD2 . 16100 1 307 . 1 1 29 29 LEU HD23 H 1 0.325 0.020 . 2 . . . . 29 LEU HD2 . 16100 1 308 . 1 1 29 29 LEU HG H 1 1.510 0.020 . 1 . . . . 29 LEU HG . 16100 1 309 . 1 1 29 29 LEU CA C 13 58.648 0.400 . 1 . . . . 29 LEU CA . 16100 1 310 . 1 1 29 29 LEU CB C 13 39.708 0.400 . 1 . . . . 29 LEU CB . 16100 1 311 . 1 1 29 29 LEU CD1 C 13 23.224 0.400 . 1 . . . . 29 LEU CD1 . 16100 1 312 . 1 1 29 29 LEU CD2 C 13 25.634 0.400 . 1 . . . . 29 LEU CD2 . 16100 1 313 . 1 1 29 29 LEU CG C 13 26.770 0.400 . 1 . . . . 29 LEU CG . 16100 1 314 . 1 1 29 29 LEU N N 15 124.915 0.400 . 1 . . . . 29 LEU N . 16100 1 315 . 1 1 30 30 PRO HA H 1 4.251 0.020 . 1 . . . . 30 PRO HA . 16100 1 316 . 1 1 30 30 PRO HB2 H 1 1.897 0.020 . 2 . . . . 30 PRO HB2 . 16100 1 317 . 1 1 30 30 PRO HB3 H 1 1.891 0.020 . 2 . . . . 30 PRO HB3 . 16100 1 318 . 1 1 30 30 PRO CA C 13 64.962 0.400 . 1 . . . . 30 PRO CA . 16100 1 319 . 1 1 30 30 PRO CB C 13 30.540 0.400 . 1 . . . . 30 PRO CB . 16100 1 320 . 1 1 31 31 LEU H H 1 7.438 0.020 . 1 . . . . 31 LEU H . 16100 1 321 . 1 1 31 31 LEU HA H 1 4.047 0.020 . 1 . . . . 31 LEU HA . 16100 1 322 . 1 1 31 31 LEU HB2 H 1 1.418 0.020 . 2 . . . . 31 LEU HB2 . 16100 1 323 . 1 1 31 31 LEU HB3 H 1 1.408 0.020 . 2 . . . . 31 LEU HB3 . 16100 1 324 . 1 1 31 31 LEU HD11 H 1 0.762 0.020 . 2 . . . . 31 LEU HD1 . 16100 1 325 . 1 1 31 31 LEU HD12 H 1 0.762 0.020 . 2 . . . . 31 LEU HD1 . 16100 1 326 . 1 1 31 31 LEU HD13 H 1 0.762 0.020 . 2 . . . . 31 LEU HD1 . 16100 1 327 . 1 1 31 31 LEU HD21 H 1 0.707 0.020 . 2 . . . . 31 LEU HD2 . 16100 1 328 . 1 1 31 31 LEU HD22 H 1 0.707 0.020 . 2 . . . . 31 LEU HD2 . 16100 1 329 . 1 1 31 31 LEU HD23 H 1 0.707 0.020 . 2 . . . . 31 LEU HD2 . 16100 1 330 . 1 1 31 31 LEU HG H 1 1.540 0.020 . 1 . . . . 31 LEU HG . 16100 1 331 . 1 1 31 31 LEU CA C 13 55.448 0.400 . 1 . . . . 31 LEU CA . 16100 1 332 . 1 1 31 31 LEU CB C 13 40.486 0.400 . 1 . . . . 31 LEU CB . 16100 1 333 . 1 1 31 31 LEU CD1 C 13 24.936 0.400 . 1 . . . . 31 LEU CD1 . 16100 1 334 . 1 1 31 31 LEU CD2 C 13 22.349 0.400 . 1 . . . . 31 LEU CD2 . 16100 1 335 . 1 1 31 31 LEU CG C 13 27.154 0.400 . 1 . . . . 31 LEU CG . 16100 1 336 . 1 1 31 31 LEU N N 15 112.987 0.400 . 1 . . . . 31 LEU N . 16100 1 337 . 1 1 32 32 LEU H H 1 7.536 0.020 . 1 . . . . 32 LEU H . 16100 1 338 . 1 1 32 32 LEU HA H 1 4.103 0.020 . 1 . . . . 32 LEU HA . 16100 1 339 . 1 1 32 32 LEU HB2 H 1 1.145 0.020 . 2 . . . . 32 LEU HB2 . 16100 1 340 . 1 1 32 32 LEU HB3 H 1 0.663 0.020 . 2 . . . . 32 LEU HB3 . 16100 1 341 . 1 1 32 32 LEU HD11 H 1 -0.085 0.020 . 2 . . . . 32 LEU HD1 . 16100 1 342 . 1 1 32 32 LEU HD12 H 1 -0.085 0.020 . 2 . . . . 32 LEU HD1 . 16100 1 343 . 1 1 32 32 LEU HD13 H 1 -0.085 0.020 . 2 . . . . 32 LEU HD1 . 16100 1 344 . 1 1 32 32 LEU HD21 H 1 -0.680 0.020 . 2 . . . . 32 LEU HD2 . 16100 1 345 . 1 1 32 32 LEU HD22 H 1 -0.680 0.020 . 2 . . . . 32 LEU HD2 . 16100 1 346 . 1 1 32 32 LEU HD23 H 1 -0.680 0.020 . 2 . . . . 32 LEU HD2 . 16100 1 347 . 1 1 32 32 LEU HG H 1 1.540 0.020 . 1 . . . . 32 LEU HG . 16100 1 348 . 1 1 32 32 LEU CA C 13 55.448 0.400 . 1 . . . . 32 LEU CA . 16100 1 349 . 1 1 32 32 LEU CB C 13 43.487 0.400 . 1 . . . . 32 LEU CB . 16100 1 350 . 1 1 32 32 LEU CD1 C 13 22.788 0.400 . 1 . . . . 32 LEU CD1 . 16100 1 351 . 1 1 32 32 LEU CD2 C 13 23.666 0.400 . 1 . . . . 32 LEU CD2 . 16100 1 352 . 1 1 32 32 LEU CG C 13 26.770 0.400 . 1 . . . . 32 LEU CG . 16100 1 353 . 1 1 32 32 LEU N N 15 119.514 0.400 . 1 . . . . 32 LEU N . 16100 1 354 . 1 1 33 33 MET H H 1 7.605 0.020 . 1 . . . . 33 MET H . 16100 1 355 . 1 1 33 33 MET CA C 13 54.237 0.400 . 1 . . . . 33 MET CA . 16100 1 356 . 1 1 33 33 MET N N 15 117.077 0.400 . 1 . . . . 33 MET N . 16100 1 357 . 1 1 37 37 ARG HA H 1 4.350 0.020 . 1 . . . . 37 ARG HA . 16100 1 358 . 1 1 37 37 ARG HB2 H 1 1.543 0.020 . 2 . . . . 37 ARG HB2 . 16100 1 359 . 1 1 37 37 ARG HB3 H 1 1.510 0.020 . 2 . . . . 37 ARG HB3 . 16100 1 360 . 1 1 37 37 ARG CA C 13 56.790 0.400 . 1 . . . . 37 ARG CA . 16100 1 361 . 1 1 37 37 ARG CB C 13 31.145 0.400 . 1 . . . . 37 ARG CB . 16100 1 362 . 1 1 38 38 SER H H 1 7.395 0.020 . 1 . . . . 38 SER H . 16100 1 363 . 1 1 38 38 SER HA H 1 4.447 0.020 . 1 . . . . 38 SER HA . 16100 1 364 . 1 1 38 38 SER HB2 H 1 3.665 0.020 . 2 . . . . 38 SER HB2 . 16100 1 365 . 1 1 38 38 SER HB3 H 1 3.604 0.020 . 2 . . . . 38 SER HB3 . 16100 1 366 . 1 1 38 38 SER CA C 13 57.264 0.400 . 1 . . . . 38 SER CA . 16100 1 367 . 1 1 38 38 SER CB C 13 64.875 0.400 . 1 . . . . 38 SER CB . 16100 1 368 . 1 1 38 38 SER N N 15 107.358 0.400 . 1 . . . . 38 SER N . 16100 1 369 . 1 1 39 39 VAL H H 1 8.415 0.020 . 1 . . . . 39 VAL H . 16100 1 370 . 1 1 39 39 VAL HA H 1 4.169 0.020 . 1 . . . . 39 VAL HA . 16100 1 371 . 1 1 39 39 VAL HB H 1 1.406 0.020 . 1 . . . . 39 VAL HB . 16100 1 372 . 1 1 39 39 VAL HG11 H 1 -0.363 0.020 . 2 . . . . 39 VAL HG1 . 16100 1 373 . 1 1 39 39 VAL HG12 H 1 -0.363 0.020 . 2 . . . . 39 VAL HG1 . 16100 1 374 . 1 1 39 39 VAL HG13 H 1 -0.363 0.020 . 2 . . . . 39 VAL HG1 . 16100 1 375 . 1 1 39 39 VAL HG21 H 1 -0.367 0.020 . 2 . . . . 39 VAL HG2 . 16100 1 376 . 1 1 39 39 VAL HG22 H 1 -0.367 0.020 . 2 . . . . 39 VAL HG2 . 16100 1 377 . 1 1 39 39 VAL HG23 H 1 -0.367 0.020 . 2 . . . . 39 VAL HG2 . 16100 1 378 . 1 1 39 39 VAL CA C 13 62.280 0.400 . 1 . . . . 39 VAL CA . 16100 1 379 . 1 1 39 39 VAL CB C 13 33.653 0.400 . 1 . . . . 39 VAL CB . 16100 1 380 . 1 1 39 39 VAL CG1 C 13 21.056 0.400 . 1 . . . . 39 VAL CG1 . 16100 1 381 . 1 1 39 39 VAL CG2 C 13 21.056 0.400 . 1 . . . . 39 VAL CG2 . 16100 1 382 . 1 1 39 39 VAL N N 15 121.496 0.400 . 1 . . . . 39 VAL N . 16100 1 383 . 1 1 40 40 GLU H H 1 8.765 0.020 . 1 . . . . 40 GLU H . 16100 1 384 . 1 1 40 40 GLU HA H 1 4.517 0.020 . 1 . . . . 40 GLU HA . 16100 1 385 . 1 1 40 40 GLU HB2 H 1 1.927 0.020 . 2 . . . . 40 GLU HB2 . 16100 1 386 . 1 1 40 40 GLU HB3 H 1 1.739 0.020 . 2 . . . . 40 GLU HB3 . 16100 1 387 . 1 1 40 40 GLU HG2 H 1 2.086 0.020 . 2 . . . . 40 GLU HG2 . 16100 1 388 . 1 1 40 40 GLU HG3 H 1 2.064 0.020 . 2 . . . . 40 GLU HG3 . 16100 1 389 . 1 1 40 40 GLU CA C 13 53.113 0.400 . 1 . . . . 40 GLU CA . 16100 1 390 . 1 1 40 40 GLU CB C 13 32.702 0.400 . 1 . . . . 40 GLU CB . 16100 1 391 . 1 1 40 40 GLU CG C 13 35.076 0.400 . 1 . . . . 40 GLU CG . 16100 1 392 . 1 1 40 40 GLU N N 15 124.906 0.400 . 1 . . . . 40 GLU N . 16100 1 393 . 1 1 41 41 VAL H H 1 9.012 0.020 . 1 . . . . 41 VAL H . 16100 1 394 . 1 1 41 41 VAL HA H 1 3.631 0.020 . 1 . . . . 41 VAL HA . 16100 1 395 . 1 1 41 41 VAL HB H 1 1.993 0.020 . 1 . . . . 41 VAL HB . 16100 1 396 . 1 1 41 41 VAL HG11 H 1 0.986 0.020 . 2 . . . . 41 VAL HG1 . 16100 1 397 . 1 1 41 41 VAL HG12 H 1 0.986 0.020 . 2 . . . . 41 VAL HG1 . 16100 1 398 . 1 1 41 41 VAL HG13 H 1 0.986 0.020 . 2 . . . . 41 VAL HG1 . 16100 1 399 . 1 1 41 41 VAL HG21 H 1 0.970 0.020 . 2 . . . . 41 VAL HG2 . 16100 1 400 . 1 1 41 41 VAL HG22 H 1 0.970 0.020 . 2 . . . . 41 VAL HG2 . 16100 1 401 . 1 1 41 41 VAL HG23 H 1 0.970 0.020 . 2 . . . . 41 VAL HG2 . 16100 1 402 . 1 1 41 41 VAL CA C 13 64.529 0.400 . 1 . . . . 41 VAL CA . 16100 1 403 . 1 1 41 41 VAL CB C 13 31.974 0.400 . 1 . . . . 41 VAL CB . 16100 1 404 . 1 1 41 41 VAL CG1 C 13 21.313 0.400 . 1 . . . . 41 VAL CG1 . 16100 1 405 . 1 1 41 41 VAL CG2 C 13 21.282 0.400 . 1 . . . . 41 VAL CG2 . 16100 1 406 . 1 1 41 41 VAL N N 15 126.387 0.400 . 1 . . . . 41 VAL N . 16100 1 407 . 1 1 42 42 LEU H H 1 8.785 0.020 . 1 . . . . 42 LEU H . 16100 1 408 . 1 1 42 42 LEU HA H 1 4.488 0.020 . 1 . . . . 42 LEU HA . 16100 1 409 . 1 1 42 42 LEU HB2 H 1 1.497 0.020 . 2 . . . . 42 LEU HB2 . 16100 1 410 . 1 1 42 42 LEU HB3 H 1 1.455 0.020 . 2 . . . . 42 LEU HB3 . 16100 1 411 . 1 1 42 42 LEU HD11 H 1 0.726 0.020 . 2 . . . . 42 LEU HD1 . 16100 1 412 . 1 1 42 42 LEU HD12 H 1 0.726 0.020 . 2 . . . . 42 LEU HD1 . 16100 1 413 . 1 1 42 42 LEU HD13 H 1 0.726 0.020 . 2 . . . . 42 LEU HD1 . 16100 1 414 . 1 1 42 42 LEU HD21 H 1 0.721 0.020 . 2 . . . . 42 LEU HD2 . 16100 1 415 . 1 1 42 42 LEU HD22 H 1 0.721 0.020 . 2 . . . . 42 LEU HD2 . 16100 1 416 . 1 1 42 42 LEU HD23 H 1 0.721 0.020 . 2 . . . . 42 LEU HD2 . 16100 1 417 . 1 1 42 42 LEU HG H 1 1.540 0.020 . 1 . . . . 42 LEU HG . 16100 1 418 . 1 1 42 42 LEU CA C 13 55.794 0.400 . 1 . . . . 42 LEU CA . 16100 1 419 . 1 1 42 42 LEU CB C 13 42.129 0.400 . 1 . . . . 42 LEU CB . 16100 1 420 . 1 1 42 42 LEU CD1 C 13 20.606 0.400 . 1 . . . . 42 LEU CD1 . 16100 1 421 . 1 1 42 42 LEU CD2 C 13 20.633 0.400 . 1 . . . . 42 LEU CD2 . 16100 1 422 . 1 1 42 42 LEU CG C 13 26.770 0.400 . 1 . . . . 42 LEU CG . 16100 1 423 . 1 1 42 42 LEU N N 15 129.060 0.400 . 1 . . . . 42 LEU N . 16100 1 424 . 1 1 43 43 ASP H H 1 8.362 0.020 . 1 . . . . 43 ASP H . 16100 1 425 . 1 1 43 43 ASP HA H 1 4.502 0.020 . 1 . . . . 43 ASP HA . 16100 1 426 . 1 1 43 43 ASP HB2 H 1 3.125 0.020 . 2 . . . . 43 ASP HB2 . 16100 1 427 . 1 1 43 43 ASP HB3 H 1 3.114 0.020 . 2 . . . . 43 ASP HB3 . 16100 1 428 . 1 1 43 43 ASP CA C 13 53.545 0.400 . 1 . . . . 43 ASP CA . 16100 1 429 . 1 1 43 43 ASP CB C 13 39.880 0.400 . 1 . . . . 43 ASP CB . 16100 1 430 . 1 1 43 43 ASP N N 15 117.113 0.400 . 1 . . . . 43 ASP N . 16100 1 431 . 1 1 44 44 ASP H H 1 8.427 0.020 . 1 . . . . 44 ASP H . 16100 1 432 . 1 1 44 44 ASP HA H 1 4.399 0.020 . 1 . . . . 44 ASP HA . 16100 1 433 . 1 1 44 44 ASP HB2 H 1 2.779 0.020 . 2 . . . . 44 ASP HB2 . 16100 1 434 . 1 1 44 44 ASP HB3 H 1 2.774 0.020 . 2 . . . . 44 ASP HB3 . 16100 1 435 . 1 1 44 44 ASP CA C 13 57.091 0.400 . 1 . . . . 44 ASP CA . 16100 1 436 . 1 1 44 44 ASP CB C 13 39.967 0.400 . 1 . . . . 44 ASP CB . 16100 1 437 . 1 1 44 44 ASP N N 15 112.996 0.400 . 1 . . . . 44 ASP N . 16100 1 438 . 1 1 45 45 LYS H H 1 8.663 0.020 . 1 . . . . 45 LYS H . 16100 1 439 . 1 1 45 45 LYS HA H 1 4.754 0.020 . 1 . . . . 45 LYS HA . 16100 1 440 . 1 1 45 45 LYS HB2 H 1 2.075 0.020 . 2 . . . . 45 LYS HB2 . 16100 1 441 . 1 1 45 45 LYS HB3 H 1 2.000 0.020 . 2 . . . . 45 LYS HB3 . 16100 1 442 . 1 1 45 45 LYS HD2 H 1 1.763 0.020 . 2 . . . . 45 LYS HD2 . 16100 1 443 . 1 1 45 45 LYS HD3 H 1 1.832 0.020 . 2 . . . . 45 LYS HD3 . 16100 1 444 . 1 1 45 45 LYS HE2 H 1 3.076 0.020 . 2 . . . . 45 LYS HE2 . 16100 1 445 . 1 1 45 45 LYS HE3 H 1 3.072 0.020 . 2 . . . . 45 LYS HE3 . 16100 1 446 . 1 1 45 45 LYS HG2 H 1 1.526 0.020 . 2 . . . . 45 LYS HG2 . 16100 1 447 . 1 1 45 45 LYS HG3 H 1 1.526 0.020 . 2 . . . . 45 LYS HG3 . 16100 1 448 . 1 1 45 45 LYS CA C 13 56.832 0.400 . 1 . . . . 45 LYS CA . 16100 1 449 . 1 1 45 45 LYS CB C 13 35.383 0.400 . 1 . . . . 45 LYS CB . 16100 1 450 . 1 1 45 45 LYS CD C 13 28.780 0.400 . 1 . . . . 45 LYS CD . 16100 1 451 . 1 1 45 45 LYS CE C 13 42.045 0.400 . 1 . . . . 45 LYS CE . 16100 1 452 . 1 1 45 45 LYS CG C 13 24.979 0.400 . 1 . . . . 45 LYS CG . 16100 1 453 . 1 1 45 45 LYS N N 15 116.697 0.400 . 1 . . . . 45 LYS N . 16100 1 454 . 1 1 46 46 ARG H H 1 8.890 0.020 . 1 . . . . 46 ARG H . 16100 1 455 . 1 1 46 46 ARG HA H 1 5.697 0.020 . 1 . . . . 46 ARG HA . 16100 1 456 . 1 1 46 46 ARG HB2 H 1 1.988 0.020 . 2 . . . . 46 ARG HB2 . 16100 1 457 . 1 1 46 46 ARG HB3 H 1 1.804 0.020 . 2 . . . . 46 ARG HB3 . 16100 1 458 . 1 1 46 46 ARG HD2 H 1 3.345 0.020 . 2 . . . . 46 ARG HD2 . 16100 1 459 . 1 1 46 46 ARG HD3 H 1 3.284 0.020 . 2 . . . . 46 ARG HD3 . 16100 1 460 . 1 1 46 46 ARG HG2 H 1 1.890 0.020 . 2 . . . . 46 ARG HG2 . 16100 1 461 . 1 1 46 46 ARG HG3 H 1 1.670 0.020 . 2 . . . . 46 ARG HG3 . 16100 1 462 . 1 1 46 46 ARG CA C 13 55.794 0.400 . 1 . . . . 46 ARG CA . 16100 1 463 . 1 1 46 46 ARG CB C 13 33.653 0.400 . 1 . . . . 46 ARG CB . 16100 1 464 . 1 1 46 46 ARG CD C 13 43.340 0.400 . 1 . . . . 46 ARG CD . 16100 1 465 . 1 1 46 46 ARG CG C 13 28.471 0.400 . 1 . . . . 46 ARG CG . 16100 1 466 . 1 1 46 46 ARG N N 15 121.899 0.400 . 1 . . . . 46 ARG N . 16100 1 467 . 1 1 47 47 SER H H 1 9.185 0.020 . 1 . . . . 47 SER H . 16100 1 468 . 1 1 47 47 SER HA H 1 5.173 0.020 . 1 . . . . 47 SER HA . 16100 1 469 . 1 1 47 47 SER HB2 H 1 3.900 0.020 . 2 . . . . 47 SER HB2 . 16100 1 470 . 1 1 47 47 SER HB3 H 1 3.478 0.020 . 2 . . . . 47 SER HB3 . 16100 1 471 . 1 1 47 47 SER CA C 13 56.399 0.400 . 1 . . . . 47 SER CA . 16100 1 472 . 1 1 47 47 SER CB C 13 64.889 0.400 . 1 . . . . 47 SER CB . 16100 1 473 . 1 1 47 47 SER N N 15 114.066 0.400 . 1 . . . . 47 SER N . 16100 1 474 . 1 1 48 48 ARG H H 1 9.609 0.020 . 1 . . . . 48 ARG H . 16100 1 475 . 1 1 48 48 ARG CA C 13 54.583 0.400 . 1 . . . . 48 ARG CA . 16100 1 476 . 1 1 48 48 ARG CB C 13 32.962 0.400 . 1 . . . . 48 ARG CB . 16100 1 477 . 1 1 48 48 ARG N N 15 120.458 0.400 . 1 . . . . 48 ARG N . 16100 1 478 . 1 1 51 51 VAL HA H 1 4.165 0.020 . 1 . . . . 51 VAL HA . 16100 1 479 . 1 1 51 51 VAL HB H 1 1.990 0.020 . 1 . . . . 51 VAL HB . 16100 1 480 . 1 1 51 51 VAL HG11 H 1 0.840 0.020 . 2 . . . . 51 VAL HG1 . 16100 1 481 . 1 1 51 51 VAL HG12 H 1 0.840 0.020 . 2 . . . . 51 VAL HG1 . 16100 1 482 . 1 1 51 51 VAL HG13 H 1 0.840 0.020 . 2 . . . . 51 VAL HG1 . 16100 1 483 . 1 1 51 51 VAL HG21 H 1 0.830 0.020 . 2 . . . . 51 VAL HG2 . 16100 1 484 . 1 1 51 51 VAL HG22 H 1 0.830 0.020 . 2 . . . . 51 VAL HG2 . 16100 1 485 . 1 1 51 51 VAL HG23 H 1 0.830 0.020 . 2 . . . . 51 VAL HG2 . 16100 1 486 . 1 1 51 51 VAL CA C 13 62.480 0.400 . 1 . . . . 51 VAL CA . 16100 1 487 . 1 1 51 51 VAL CB C 13 32.660 0.400 . 1 . . . . 51 VAL CB . 16100 1 488 . 1 1 51 51 VAL CG1 C 13 21.380 0.400 . 1 . . . . 51 VAL CG1 . 16100 1 489 . 1 1 51 51 VAL CG2 C 13 21.310 0.400 . 1 . . . . 51 VAL CG2 . 16100 1 490 . 1 1 52 52 GLU H H 1 8.320 0.020 . 1 . . . . 52 GLU H . 16100 1 491 . 1 1 52 52 GLU HA H 1 4.591 0.020 . 1 . . . . 52 GLU HA . 16100 1 492 . 1 1 52 52 GLU HB2 H 1 1.950 0.020 . 2 . . . . 52 GLU HB2 . 16100 1 493 . 1 1 52 52 GLU HB3 H 1 1.785 0.020 . 2 . . . . 52 GLU HB3 . 16100 1 494 . 1 1 52 52 GLU HG2 H 1 2.168 0.020 . 2 . . . . 52 GLU HG2 . 16100 1 495 . 1 1 52 52 GLU HG3 H 1 2.163 0.020 . 2 . . . . 52 GLU HG3 . 16100 1 496 . 1 1 52 52 GLU CA C 13 55.189 0.400 . 1 . . . . 52 GLU CA . 16100 1 497 . 1 1 52 52 GLU CB C 13 29.762 0.400 . 1 . . . . 52 GLU CB . 16100 1 498 . 1 1 52 52 GLU CG C 13 34.982 0.400 . 1 . . . . 52 GLU CG . 16100 1 499 . 1 1 52 52 GLU N N 15 120.516 0.400 . 1 . . . . 52 GLU N . 16100 1 500 . 1 1 53 53 ALA H H 1 7.907 0.020 . 1 . . . . 53 ALA H . 16100 1 501 . 1 1 53 53 ALA HA H 1 4.799 0.020 . 1 . . . . 53 ALA HA . 16100 1 502 . 1 1 53 53 ALA HB1 H 1 1.375 0.020 . 1 . . . . 53 ALA HB . 16100 1 503 . 1 1 53 53 ALA HB2 H 1 1.375 0.020 . 1 . . . . 53 ALA HB . 16100 1 504 . 1 1 53 53 ALA HB3 H 1 1.375 0.020 . 1 . . . . 53 ALA HB . 16100 1 505 . 1 1 53 53 ALA CA C 13 49.221 0.400 . 1 . . . . 53 ALA CA . 16100 1 506 . 1 1 53 53 ALA CB C 13 19.989 0.400 . 1 . . . . 53 ALA CB . 16100 1 507 . 1 1 53 53 ALA N N 15 128.355 0.400 . 1 . . . . 53 ALA N . 16100 1 508 . 1 1 54 54 PRO HA H 1 4.419 0.020 . 1 . . . . 54 PRO HA . 16100 1 509 . 1 1 54 54 PRO HB2 H 1 2.393 0.020 . 2 . . . . 54 PRO HB2 . 16100 1 510 . 1 1 54 54 PRO HB3 H 1 1.832 0.020 . 2 . . . . 54 PRO HB3 . 16100 1 511 . 1 1 54 54 PRO HD2 H 1 3.743 0.020 . 2 . . . . 54 PRO HD2 . 16100 1 512 . 1 1 54 54 PRO HD3 H 1 3.308 0.020 . 2 . . . . 54 PRO HD3 . 16100 1 513 . 1 1 54 54 PRO HG2 H 1 1.937 0.020 . 2 . . . . 54 PRO HG2 . 16100 1 514 . 1 1 54 54 PRO HG3 H 1 1.936 0.020 . 2 . . . . 54 PRO HG3 . 16100 1 515 . 1 1 54 54 PRO CA C 13 62.021 0.400 . 1 . . . . 54 PRO CA . 16100 1 516 . 1 1 54 54 PRO CB C 13 31.973 0.400 . 1 . . . . 54 PRO CB . 16100 1 517 . 1 1 54 54 PRO CD C 13 50.280 0.400 . 1 . . . . 54 PRO CD . 16100 1 518 . 1 1 54 54 PRO CG C 13 27.140 0.400 . 1 . . . . 54 PRO CG . 16100 1 519 . 1 1 55 55 ALA H H 1 8.619 0.020 . 1 . . . . 55 ALA H . 16100 1 520 . 1 1 55 55 ALA HA H 1 4.180 0.020 . 1 . . . . 55 ALA HA . 16100 1 521 . 1 1 55 55 ALA HB1 H 1 1.343 0.020 . 1 . . . . 55 ALA HB . 16100 1 522 . 1 1 55 55 ALA HB2 H 1 1.343 0.020 . 1 . . . . 55 ALA HB . 16100 1 523 . 1 1 55 55 ALA HB3 H 1 1.343 0.020 . 1 . . . . 55 ALA HB . 16100 1 524 . 1 1 55 55 ALA CA C 13 51.729 0.400 . 1 . . . . 55 ALA CA . 16100 1 525 . 1 1 55 55 ALA CB C 13 16.962 0.400 . 1 . . . . 55 ALA CB . 16100 1 526 . 1 1 55 55 ALA N N 15 125.990 0.400 . 1 . . . . 55 ALA N . 16100 1 527 . 1 1 56 56 PRO HA H 1 4.579 0.020 . 1 . . . . 56 PRO HA . 16100 1 528 . 1 1 56 56 PRO HB2 H 1 2.364 0.020 . 2 . . . . 56 PRO HB2 . 16100 1 529 . 1 1 56 56 PRO HB3 H 1 2.213 0.020 . 2 . . . . 56 PRO HB3 . 16100 1 530 . 1 1 56 56 PRO HD2 H 1 3.505 0.020 . 2 . . . . 56 PRO HD2 . 16100 1 531 . 1 1 56 56 PRO HD3 H 1 3.482 0.020 . 2 . . . . 56 PRO HD3 . 16100 1 532 . 1 1 56 56 PRO HG2 H 1 2.003 0.020 . 2 . . . . 56 PRO HG2 . 16100 1 533 . 1 1 56 56 PRO HG3 H 1 2.000 0.020 . 2 . . . . 56 PRO HG3 . 16100 1 534 . 1 1 56 56 PRO CA C 13 63.318 0.400 . 1 . . . . 56 PRO CA . 16100 1 535 . 1 1 56 56 PRO CB C 13 33.653 0.400 . 1 . . . . 56 PRO CB . 16100 1 536 . 1 1 56 56 PRO CD C 13 49.913 0.400 . 1 . . . . 56 PRO CD . 16100 1 537 . 1 1 56 56 PRO CG C 13 27.140 0.400 . 1 . . . . 56 PRO CG . 16100 1 538 . 1 1 57 57 LEU H H 1 8.288 0.020 . 1 . . . . 57 LEU H . 16100 1 539 . 1 1 57 57 LEU HA H 1 4.239 0.020 . 1 . . . . 57 LEU HA . 16100 1 540 . 1 1 57 57 LEU HB2 H 1 1.654 0.020 . 2 . . . . 57 LEU HB2 . 16100 1 541 . 1 1 57 57 LEU HB3 H 1 1.626 0.020 . 2 . . . . 57 LEU HB3 . 16100 1 542 . 1 1 57 57 LEU HD11 H 1 0.872 0.020 . 2 . . . . 57 LEU HD1 . 16100 1 543 . 1 1 57 57 LEU HD12 H 1 0.872 0.020 . 2 . . . . 57 LEU HD1 . 16100 1 544 . 1 1 57 57 LEU HD13 H 1 0.872 0.020 . 2 . . . . 57 LEU HD1 . 16100 1 545 . 1 1 57 57 LEU HD21 H 1 0.807 0.020 . 2 . . . . 57 LEU HD2 . 16100 1 546 . 1 1 57 57 LEU HD22 H 1 0.807 0.020 . 2 . . . . 57 LEU HD2 . 16100 1 547 . 1 1 57 57 LEU HD23 H 1 0.807 0.020 . 2 . . . . 57 LEU HD2 . 16100 1 548 . 1 1 57 57 LEU HG H 1 1.449 0.020 . 1 . . . . 57 LEU HG . 16100 1 549 . 1 1 57 57 LEU CA C 13 57.351 0.400 . 1 . . . . 57 LEU CA . 16100 1 550 . 1 1 57 57 LEU CB C 13 42.216 0.400 . 1 . . . . 57 LEU CB . 16100 1 551 . 1 1 57 57 LEU CD1 C 13 24.100 0.400 . 1 . . . . 57 LEU CD1 . 16100 1 552 . 1 1 57 57 LEU CD2 C 13 24.100 0.400 . 1 . . . . 57 LEU CD2 . 16100 1 553 . 1 1 57 57 LEU CG C 13 26.770 0.400 . 1 . . . . 57 LEU CG . 16100 1 554 . 1 1 57 57 LEU N N 15 126.767 0.400 . 1 . . . . 57 LEU N . 16100 1 555 . 1 1 58 58 GLY H H 1 6.968 0.020 . 1 . . . . 58 GLY H . 16100 1 556 . 1 1 58 58 GLY HA2 H 1 3.909 0.020 . 2 . . . . 58 GLY HA2 . 16100 1 557 . 1 1 58 58 GLY HA3 H 1 3.699 0.020 . 2 . . . . 58 GLY HA3 . 16100 1 558 . 1 1 58 58 GLY CA C 13 45.685 0.400 . 1 . . . . 58 GLY CA . 16100 1 559 . 1 1 58 58 GLY N N 15 105.312 0.400 . 1 . . . . 58 GLY N . 16100 1 560 . 1 1 59 59 ALA H H 1 8.111 0.020 . 1 . . . . 59 ALA H . 16100 1 561 . 1 1 59 59 ALA HA H 1 4.819 0.020 . 1 . . . . 59 ALA HA . 16100 1 562 . 1 1 59 59 ALA HB1 H 1 1.259 0.020 . 1 . . . . 59 ALA HB . 16100 1 563 . 1 1 59 59 ALA HB2 H 1 1.259 0.020 . 1 . . . . 59 ALA HB . 16100 1 564 . 1 1 59 59 ALA HB3 H 1 1.259 0.020 . 1 . . . . 59 ALA HB . 16100 1 565 . 1 1 59 59 ALA CA C 13 52.162 0.400 . 1 . . . . 59 ALA CA . 16100 1 566 . 1 1 59 59 ALA CB C 13 19.003 0.400 . 1 . . . . 59 ALA CB . 16100 1 567 . 1 1 59 59 ALA N N 15 123.443 0.400 . 1 . . . . 59 ALA N . 16100 1 568 . 1 1 60 60 VAL H H 1 8.911 0.020 . 1 . . . . 60 VAL H . 16100 1 569 . 1 1 60 60 VAL HA H 1 4.424 0.020 . 1 . . . . 60 VAL HA . 16100 1 570 . 1 1 60 60 VAL HB H 1 2.066 0.020 . 1 . . . . 60 VAL HB . 16100 1 571 . 1 1 60 60 VAL HG11 H 1 0.987 0.020 . 2 . . . . 60 VAL HG1 . 16100 1 572 . 1 1 60 60 VAL HG12 H 1 0.987 0.020 . 2 . . . . 60 VAL HG1 . 16100 1 573 . 1 1 60 60 VAL HG13 H 1 0.987 0.020 . 2 . . . . 60 VAL HG1 . 16100 1 574 . 1 1 60 60 VAL HG21 H 1 0.977 0.020 . 2 . . . . 60 VAL HG2 . 16100 1 575 . 1 1 60 60 VAL HG22 H 1 0.977 0.020 . 2 . . . . 60 VAL HG2 . 16100 1 576 . 1 1 60 60 VAL HG23 H 1 0.977 0.020 . 2 . . . . 60 VAL HG2 . 16100 1 577 . 1 1 60 60 VAL CA C 13 61.416 0.400 . 1 . . . . 60 VAL CA . 16100 1 578 . 1 1 60 60 VAL CB C 13 26.992 0.400 . 1 . . . . 60 VAL CB . 16100 1 579 . 1 1 60 60 VAL CG1 C 13 21.056 0.400 . 1 . . . . 60 VAL CG1 . 16100 1 580 . 1 1 60 60 VAL CG2 C 13 21.056 0.400 . 1 . . . . 60 VAL CG2 . 16100 1 581 . 1 1 60 60 VAL N N 15 123.358 0.400 . 1 . . . . 60 VAL N . 16100 1 582 . 1 1 62 62 TRP HA H 1 5.112 0.020 . 1 . . . . 62 TRP HA . 16100 1 583 . 1 1 62 62 TRP HB2 H 1 3.560 0.020 . 2 . . . . 62 TRP HB2 . 16100 1 584 . 1 1 62 62 TRP HB3 H 1 3.434 0.020 . 2 . . . . 62 TRP HB3 . 16100 1 585 . 1 1 62 62 TRP CA C 13 57.178 0.400 . 1 . . . . 62 TRP CA . 16100 1 586 . 1 1 62 62 TRP CB C 13 31.664 0.400 . 1 . . . . 62 TRP CB . 16100 1 587 . 1 1 62 62 TRP CD1 C 13 126.160 0.400 . 1 . . . . 62 TRP CD1 . 16100 1 588 . 1 1 63 63 GLU H H 1 8.846 0.020 . 1 . . . . 63 GLU H . 16100 1 589 . 1 1 63 63 GLU HA H 1 5.573 0.020 . 1 . . . . 63 GLU HA . 16100 1 590 . 1 1 63 63 GLU HB2 H 1 2.067 0.020 . 2 . . . . 63 GLU HB2 . 16100 1 591 . 1 1 63 63 GLU HB3 H 1 2.066 0.020 . 2 . . . . 63 GLU HB3 . 16100 1 592 . 1 1 63 63 GLU HG2 H 1 2.453 0.020 . 2 . . . . 63 GLU HG2 . 16100 1 593 . 1 1 63 63 GLU HG3 H 1 2.190 0.020 . 2 . . . . 63 GLU HG3 . 16100 1 594 . 1 1 63 63 GLU CA C 13 54.670 0.400 . 1 . . . . 63 GLU CA . 16100 1 595 . 1 1 63 63 GLU CB C 13 31.924 0.400 . 1 . . . . 63 GLU CB . 16100 1 596 . 1 1 63 63 GLU CG C 13 36.010 0.400 . 1 . . . . 63 GLU CG . 16100 1 597 . 1 1 63 63 GLU N N 15 118.496 0.400 . 1 . . . . 63 GLU N . 16100 1 598 . 1 1 64 64 ALA H H 1 9.517 0.020 . 1 . . . . 64 ALA H . 16100 1 599 . 1 1 64 64 ALA HA H 1 5.157 0.020 . 1 . . . . 64 ALA HA . 16100 1 600 . 1 1 64 64 ALA HB1 H 1 0.922 0.020 . 1 . . . . 64 ALA HB . 16100 1 601 . 1 1 64 64 ALA HB2 H 1 0.922 0.020 . 1 . . . . 64 ALA HB . 16100 1 602 . 1 1 64 64 ALA HB3 H 1 0.922 0.020 . 1 . . . . 64 ALA HB . 16100 1 603 . 1 1 64 64 ALA CA C 13 50.518 0.400 . 1 . . . . 64 ALA CA . 16100 1 604 . 1 1 64 64 ALA CB C 13 23.102 0.400 . 1 . . . . 64 ALA CB . 16100 1 605 . 1 1 64 64 ALA N N 15 126.372 0.400 . 1 . . . . 64 ALA N . 16100 1 606 . 1 1 65 65 GLU H H 1 8.930 0.020 . 1 . . . . 65 GLU H . 16100 1 607 . 1 1 65 65 GLU HA H 1 5.687 0.020 . 1 . . . . 65 GLU HA . 16100 1 608 . 1 1 65 65 GLU HB2 H 1 2.037 0.020 . 2 . . . . 65 GLU HB2 . 16100 1 609 . 1 1 65 65 GLU HB3 H 1 1.943 0.020 . 2 . . . . 65 GLU HB3 . 16100 1 610 . 1 1 65 65 GLU HG2 H 1 2.119 0.020 . 2 . . . . 65 GLU HG2 . 16100 1 611 . 1 1 65 65 GLU HG3 H 1 2.117 0.020 . 2 . . . . 65 GLU HG3 . 16100 1 612 . 1 1 65 65 GLU CA C 13 52.424 0.400 . 1 . . . . 65 GLU CA . 16100 1 613 . 1 1 65 65 GLU CB C 13 32.962 0.400 . 1 . . . . 65 GLU CB . 16100 1 614 . 1 1 65 65 GLU CG C 13 35.076 0.400 . 1 . . . . 65 GLU CG . 16100 1 615 . 1 1 65 65 GLU N N 15 114.620 0.400 . 1 . . . . 65 GLU N . 16100 1 616 . 1 1 66 66 LEU H H 1 8.722 0.020 . 1 . . . . 66 LEU H . 16100 1 617 . 1 1 66 66 LEU HA H 1 5.281 0.020 . 1 . . . . 66 LEU HA . 16100 1 618 . 1 1 66 66 LEU HB2 H 1 1.961 0.020 . 2 . . . . 66 LEU HB2 . 16100 1 619 . 1 1 66 66 LEU HB3 H 1 1.730 0.020 . 2 . . . . 66 LEU HB3 . 16100 1 620 . 1 1 66 66 LEU HD11 H 1 1.199 0.020 . 2 . . . . 66 LEU HD1 . 16100 1 621 . 1 1 66 66 LEU HD12 H 1 1.199 0.020 . 2 . . . . 66 LEU HD1 . 16100 1 622 . 1 1 66 66 LEU HD13 H 1 1.199 0.020 . 2 . . . . 66 LEU HD1 . 16100 1 623 . 1 1 66 66 LEU HD21 H 1 1.170 0.020 . 2 . . . . 66 LEU HD2 . 16100 1 624 . 1 1 66 66 LEU HD22 H 1 1.170 0.020 . 2 . . . . 66 LEU HD2 . 16100 1 625 . 1 1 66 66 LEU HD23 H 1 1.170 0.020 . 2 . . . . 66 LEU HD2 . 16100 1 626 . 1 1 66 66 LEU HG H 1 1.604 0.020 . 1 . . . . 66 LEU HG . 16100 1 627 . 1 1 66 66 LEU CA C 13 54.843 0.400 . 1 . . . . 66 LEU CA . 16100 1 628 . 1 1 66 66 LEU CB C 13 42.475 0.400 . 1 . . . . 66 LEU CB . 16100 1 629 . 1 1 66 66 LEU CD1 C 13 23.662 0.400 . 1 . . . . 66 LEU CD1 . 16100 1 630 . 1 1 66 66 LEU CD2 C 13 25.408 0.400 . 1 . . . . 66 LEU CD2 . 16100 1 631 . 1 1 66 66 LEU CG C 13 26.770 0.400 . 1 . . . . 66 LEU CG . 16100 1 632 . 1 1 66 66 LEU N N 15 122.494 0.400 . 1 . . . . 66 LEU N . 16100 1 633 . 1 1 67 67 THR H H 1 9.274 0.020 . 1 . . . . 67 THR H . 16100 1 634 . 1 1 67 67 THR HA H 1 4.373 0.020 . 1 . . . . 67 THR HA . 16100 1 635 . 1 1 67 67 THR HB H 1 4.279 0.020 . 1 . . . . 67 THR HB . 16100 1 636 . 1 1 67 67 THR HG21 H 1 1.163 0.020 . 1 . . . . 67 THR HG2 . 16100 1 637 . 1 1 67 67 THR HG22 H 1 1.163 0.020 . 1 . . . . 67 THR HG2 . 16100 1 638 . 1 1 67 67 THR HG23 H 1 1.163 0.020 . 1 . . . . 67 THR HG2 . 16100 1 639 . 1 1 67 67 THR CA C 13 61.589 0.400 . 1 . . . . 67 THR CA . 16100 1 640 . 1 1 67 67 THR CB C 13 68.421 0.400 . 1 . . . . 67 THR CB . 16100 1 641 . 1 1 67 67 THR CG2 C 13 22.639 0.400 . 1 . . . . 67 THR CG2 . 16100 1 642 . 1 1 67 67 THR N N 15 117.223 0.400 . 1 . . . . 67 THR N . 16100 1 643 . 1 1 68 68 ALA H H 1 7.874 0.020 . 1 . . . . 68 ALA H . 16100 1 644 . 1 1 68 68 ALA HA H 1 4.511 0.020 . 1 . . . . 68 ALA HA . 16100 1 645 . 1 1 68 68 ALA HB1 H 1 1.357 0.020 . 1 . . . . 68 ALA HB . 16100 1 646 . 1 1 68 68 ALA HB2 H 1 1.357 0.020 . 1 . . . . 68 ALA HB . 16100 1 647 . 1 1 68 68 ALA HB3 H 1 1.357 0.020 . 1 . . . . 68 ALA HB . 16100 1 648 . 1 1 68 68 ALA CA C 13 52.680 0.400 . 1 . . . . 68 ALA CA . 16100 1 649 . 1 1 68 68 ALA CB C 13 22.064 0.400 . 1 . . . . 68 ALA CB . 16100 1 650 . 1 1 68 68 ALA N N 15 123.002 0.400 . 1 . . . . 68 ALA N . 16100 1 651 . 1 1 69 69 ASP H H 1 8.704 0.020 . 1 . . . . 69 ASP H . 16100 1 652 . 1 1 69 69 ASP HA H 1 5.298 0.020 . 1 . . . . 69 ASP HA . 16100 1 653 . 1 1 69 69 ASP HB2 H 1 2.863 0.020 . 2 . . . . 69 ASP HB2 . 16100 1 654 . 1 1 69 69 ASP HB3 H 1 2.793 0.020 . 2 . . . . 69 ASP HB3 . 16100 1 655 . 1 1 69 69 ASP CA C 13 54.246 0.400 . 1 . . . . 69 ASP CA . 16100 1 656 . 1 1 69 69 ASP CB C 13 40.524 0.400 . 1 . . . . 69 ASP CB . 16100 1 657 . 1 1 69 69 ASP N N 15 119.482 0.400 . 1 . . . . 69 ASP N . 16100 1 658 . 1 1 70 70 GLU H H 1 9.509 0.020 . 1 . . . . 70 GLU H . 16100 1 659 . 1 1 70 70 GLU HA H 1 4.993 0.020 . 1 . . . . 70 GLU HA . 16100 1 660 . 1 1 70 70 GLU HB2 H 1 2.152 0.020 . 2 . . . . 70 GLU HB2 . 16100 1 661 . 1 1 70 70 GLU HB3 H 1 2.003 0.020 . 2 . . . . 70 GLU HB3 . 16100 1 662 . 1 1 70 70 GLU HG2 H 1 2.316 0.020 . 2 . . . . 70 GLU HG2 . 16100 1 663 . 1 1 70 70 GLU HG3 H 1 2.228 0.020 . 2 . . . . 70 GLU HG3 . 16100 1 664 . 1 1 70 70 GLU CA C 13 51.809 0.400 . 1 . . . . 70 GLU CA . 16100 1 665 . 1 1 70 70 GLU CB C 13 31.232 0.400 . 1 . . . . 70 GLU CB . 16100 1 666 . 1 1 70 70 GLU CG C 13 35.241 0.400 . 1 . . . . 70 GLU CG . 16100 1 667 . 1 1 70 70 GLU N N 15 125.712 0.400 . 1 . . . . 70 GLU N . 16100 1 668 . 1 1 71 71 PRO HA H 1 4.703 0.020 . 1 . . . . 71 PRO HA . 16100 1 669 . 1 1 71 71 PRO HB2 H 1 1.926 0.020 . 2 . . . . 71 PRO HB2 . 16100 1 670 . 1 1 71 71 PRO HB3 H 1 1.932 0.020 . 2 . . . . 71 PRO HB3 . 16100 1 671 . 1 1 71 71 PRO HD2 H 1 3.956 0.020 . 2 . . . . 71 PRO HD2 . 16100 1 672 . 1 1 71 71 PRO HD3 H 1 3.724 0.020 . 2 . . . . 71 PRO HD3 . 16100 1 673 . 1 1 71 71 PRO HG2 H 1 2.102 0.020 . 2 . . . . 71 PRO HG2 . 16100 1 674 . 1 1 71 71 PRO HG3 H 1 2.087 0.020 . 2 . . . . 71 PRO HG3 . 16100 1 675 . 1 1 71 71 PRO CA C 13 63.300 0.400 . 1 . . . . 71 PRO CA . 16100 1 676 . 1 1 71 71 PRO CB C 13 31.634 0.400 . 1 . . . . 71 PRO CB . 16100 1 677 . 1 1 71 71 PRO CD C 13 50.355 0.400 . 1 . . . . 71 PRO CD . 16100 1 678 . 1 1 71 71 PRO CG C 13 27.813 0.400 . 1 . . . . 71 PRO CG . 16100 1 679 . 1 1 72 72 GLY HA2 H 1 3.950 0.020 . 2 . . . . 72 GLY HA2 . 16100 1 680 . 1 1 72 72 GLY HA3 H 1 2.762 0.020 . 2 . . . . 72 GLY HA3 . 16100 1 681 . 1 1 72 72 GLY CA C 13 45.502 0.400 . 1 . . . . 72 GLY CA . 16100 1 682 . 1 1 73 73 LYS H H 1 8.345 0.020 . 1 . . . . 73 LYS H . 16100 1 683 . 1 1 73 73 LYS HA H 1 5.188 0.020 . 1 . . . . 73 LYS HA . 16100 1 684 . 1 1 73 73 LYS HB2 H 1 1.843 0.020 . 2 . . . . 73 LYS HB2 . 16100 1 685 . 1 1 73 73 LYS HB3 H 1 1.614 0.020 . 2 . . . . 73 LYS HB3 . 16100 1 686 . 1 1 73 73 LYS HD2 H 1 1.704 0.020 . 2 . . . . 73 LYS HD2 . 16100 1 687 . 1 1 73 73 LYS HD3 H 1 1.656 0.020 . 2 . . . . 73 LYS HD3 . 16100 1 688 . 1 1 73 73 LYS HE2 H 1 2.994 0.020 . 2 . . . . 73 LYS HE2 . 16100 1 689 . 1 1 73 73 LYS HE3 H 1 2.999 0.020 . 2 . . . . 73 LYS HE3 . 16100 1 690 . 1 1 73 73 LYS HG2 H 1 1.399 0.020 . 2 . . . . 73 LYS HG2 . 16100 1 691 . 1 1 73 73 LYS HG3 H 1 1.388 0.020 . 2 . . . . 73 LYS HG3 . 16100 1 692 . 1 1 73 73 LYS CA C 13 58.562 0.400 . 1 . . . . 73 LYS CA . 16100 1 693 . 1 1 73 73 LYS CB C 13 36.594 0.400 . 1 . . . . 73 LYS CB . 16100 1 694 . 1 1 73 73 LYS CD C 13 28.918 0.400 . 1 . . . . 73 LYS CD . 16100 1 695 . 1 1 73 73 LYS CE C 13 42.037 0.400 . 1 . . . . 73 LYS CE . 16100 1 696 . 1 1 73 73 LYS CG C 13 24.910 0.400 . 1 . . . . 73 LYS CG . 16100 1 697 . 1 1 73 73 LYS N N 15 115.647 0.400 . 1 . . . . 73 LYS N . 16100 1 698 . 1 1 74 74 ARG H H 1 8.953 0.020 . 1 . . . . 74 ARG H . 16100 1 699 . 1 1 74 74 ARG HA H 1 5.692 0.020 . 1 . . . . 74 ARG HA . 16100 1 700 . 1 1 74 74 ARG HB2 H 1 1.779 0.020 . 2 . . . . 74 ARG HB2 . 16100 1 701 . 1 1 74 74 ARG HB3 H 1 1.769 0.020 . 2 . . . . 74 ARG HB3 . 16100 1 702 . 1 1 74 74 ARG HD2 H 1 3.049 0.020 . 2 . . . . 74 ARG HD2 . 16100 1 703 . 1 1 74 74 ARG HD3 H 1 3.051 0.020 . 2 . . . . 74 ARG HD3 . 16100 1 704 . 1 1 74 74 ARG HG2 H 1 1.497 0.020 . 2 . . . . 74 ARG HG2 . 16100 1 705 . 1 1 74 74 ARG HG3 H 1 1.177 0.020 . 2 . . . . 74 ARG HG3 . 16100 1 706 . 1 1 74 74 ARG CA C 13 56.745 0.400 . 1 . . . . 74 ARG CA . 16100 1 707 . 1 1 74 74 ARG CB C 13 33.913 0.400 . 1 . . . . 74 ARG CB . 16100 1 708 . 1 1 74 74 ARG CD C 13 43.350 0.400 . 1 . . . . 74 ARG CD . 16100 1 709 . 1 1 74 74 ARG CG C 13 28.035 0.400 . 1 . . . . 74 ARG CG . 16100 1 710 . 1 1 74 74 ARG N N 15 120.448 0.400 . 1 . . . . 74 ARG N . 16100 1 711 . 1 1 75 75 ILE H H 1 9.045 0.020 . 1 . . . . 75 ILE H . 16100 1 712 . 1 1 75 75 ILE HA H 1 4.852 0.020 . 1 . . . . 75 ILE HA . 16100 1 713 . 1 1 75 75 ILE HB H 1 1.867 0.020 . 1 . . . . 75 ILE HB . 16100 1 714 . 1 1 75 75 ILE HD11 H 1 0.912 0.020 . 1 . . . . 75 ILE HD1 . 16100 1 715 . 1 1 75 75 ILE HD12 H 1 0.912 0.020 . 1 . . . . 75 ILE HD1 . 16100 1 716 . 1 1 75 75 ILE HD13 H 1 0.912 0.020 . 1 . . . . 75 ILE HD1 . 16100 1 717 . 1 1 75 75 ILE HG12 H 1 1.360 0.020 . 2 . . . . 75 ILE HG12 . 16100 1 718 . 1 1 75 75 ILE HG13 H 1 1.357 0.020 . 2 . . . . 75 ILE HG13 . 16100 1 719 . 1 1 75 75 ILE HG21 H 1 1.341 0.020 . 1 . . . . 75 ILE HG2 . 16100 1 720 . 1 1 75 75 ILE HG22 H 1 1.341 0.020 . 1 . . . . 75 ILE HG2 . 16100 1 721 . 1 1 75 75 ILE HG23 H 1 1.341 0.020 . 1 . . . . 75 ILE HG2 . 16100 1 722 . 1 1 75 75 ILE CA C 13 60.724 0.400 . 1 . . . . 75 ILE CA . 16100 1 723 . 1 1 75 75 ILE CB C 13 42.821 0.400 . 1 . . . . 75 ILE CB . 16100 1 724 . 1 1 75 75 ILE CD1 C 13 15.093 0.400 . 1 . . . . 75 ILE CD1 . 16100 1 725 . 1 1 75 75 ILE CG1 C 13 28.473 0.400 . 1 . . . . 75 ILE CG1 . 16100 1 726 . 1 1 75 75 ILE CG2 C 13 17.944 0.400 . 1 . . . . 75 ILE CG2 . 16100 1 727 . 1 1 75 75 ILE N N 15 124.647 0.400 . 1 . . . . 75 ILE N . 16100 1 728 . 1 1 76 76 ALA H H 1 9.074 0.020 . 1 . . . . 76 ALA H . 16100 1 729 . 1 1 76 76 ALA HA H 1 5.158 0.020 . 1 . . . . 76 ALA HA . 16100 1 730 . 1 1 76 76 ALA HB1 H 1 1.363 0.020 . 1 . . . . 76 ALA HB . 16100 1 731 . 1 1 76 76 ALA HB2 H 1 1.363 0.020 . 1 . . . . 76 ALA HB . 16100 1 732 . 1 1 76 76 ALA HB3 H 1 1.363 0.020 . 1 . . . . 76 ALA HB . 16100 1 733 . 1 1 76 76 ALA CA C 13 51.556 0.400 . 1 . . . . 76 ALA CA . 16100 1 734 . 1 1 76 76 ALA CB C 13 23.189 0.400 . 1 . . . . 76 ALA CB . 16100 1 735 . 1 1 76 76 ALA N N 15 127.321 0.400 . 1 . . . . 76 ALA N . 16100 1 736 . 1 1 77 77 TRP H H 1 8.568 0.020 . 1 . . . . 77 TRP H . 16100 1 737 . 1 1 77 77 TRP HA H 1 6.085 0.020 . 1 . . . . 77 TRP HA . 16100 1 738 . 1 1 77 77 TRP HB2 H 1 3.415 0.020 . 2 . . . . 77 TRP HB2 . 16100 1 739 . 1 1 77 77 TRP HB3 H 1 2.935 0.020 . 2 . . . . 77 TRP HB3 . 16100 1 740 . 1 1 77 77 TRP CA C 13 56.477 0.400 . 1 . . . . 77 TRP CA . 16100 1 741 . 1 1 77 77 TRP CB C 13 32.957 0.400 . 1 . . . . 77 TRP CB . 16100 1 742 . 1 1 77 77 TRP N N 15 118.030 0.400 . 1 . . . . 77 TRP N . 16100 1 743 . 1 1 78 78 ARG H H 1 9.054 0.020 . 1 . . . . 78 ARG H . 16100 1 744 . 1 1 78 78 ARG HA H 1 4.944 0.020 . 1 . . . . 78 ARG HA . 16100 1 745 . 1 1 78 78 ARG HB2 H 1 2.026 0.020 . 2 . . . . 78 ARG HB2 . 16100 1 746 . 1 1 78 78 ARG HB3 H 1 1.927 0.020 . 2 . . . . 78 ARG HB3 . 16100 1 747 . 1 1 78 78 ARG HD2 H 1 3.188 0.020 . 2 . . . . 78 ARG HD2 . 16100 1 748 . 1 1 78 78 ARG HD3 H 1 3.107 0.020 . 2 . . . . 78 ARG HD3 . 16100 1 749 . 1 1 78 78 ARG HG2 H 1 1.644 0.020 . 2 . . . . 78 ARG HG2 . 16100 1 750 . 1 1 78 78 ARG HG3 H 1 1.636 0.020 . 2 . . . . 78 ARG HG3 . 16100 1 751 . 1 1 78 78 ARG CA C 13 55.275 0.400 . 1 . . . . 78 ARG CA . 16100 1 752 . 1 1 78 78 ARG CB C 13 33.567 0.400 . 1 . . . . 78 ARG CB . 16100 1 753 . 1 1 78 78 ARG CD C 13 43.100 0.400 . 1 . . . . 78 ARG CD . 16100 1 754 . 1 1 78 78 ARG CG C 13 26.118 0.400 . 1 . . . . 78 ARG CG . 16100 1 755 . 1 1 78 78 ARG N N 15 116.175 0.400 . 1 . . . . 78 ARG N . 16100 1 756 . 1 1 79 79 SER H H 1 9.048 0.020 . 1 . . . . 79 SER H . 16100 1 757 . 1 1 79 79 SER HA H 1 4.651 0.020 . 1 . . . . 79 SER HA . 16100 1 758 . 1 1 79 79 SER HB2 H 1 4.036 0.020 . 2 . . . . 79 SER HB2 . 16100 1 759 . 1 1 79 79 SER HB3 H 1 3.732 0.020 . 2 . . . . 79 SER HB3 . 16100 1 760 . 1 1 79 79 SER CA C 13 58.338 0.400 . 1 . . . . 79 SER CA . 16100 1 761 . 1 1 79 79 SER CB C 13 63.658 0.400 . 1 . . . . 79 SER CB . 16100 1 762 . 1 1 79 79 SER N N 15 118.030 0.400 . 1 . . . . 79 SER N . 16100 1 763 . 1 1 80 80 LEU H H 1 8.678 0.020 . 1 . . . . 80 LEU H . 16100 1 764 . 1 1 80 80 LEU HA H 1 4.641 0.020 . 1 . . . . 80 LEU HA . 16100 1 765 . 1 1 80 80 LEU HB2 H 1 1.725 0.020 . 2 . . . . 80 LEU HB2 . 16100 1 766 . 1 1 80 80 LEU HB3 H 1 1.645 0.020 . 2 . . . . 80 LEU HB3 . 16100 1 767 . 1 1 80 80 LEU HD11 H 1 0.944 0.020 . 2 . . . . 80 LEU HD1 . 16100 1 768 . 1 1 80 80 LEU HD12 H 1 0.944 0.020 . 2 . . . . 80 LEU HD1 . 16100 1 769 . 1 1 80 80 LEU HD13 H 1 0.944 0.020 . 2 . . . . 80 LEU HD1 . 16100 1 770 . 1 1 80 80 LEU HD21 H 1 0.955 0.020 . 2 . . . . 80 LEU HD2 . 16100 1 771 . 1 1 80 80 LEU HD22 H 1 0.955 0.020 . 2 . . . . 80 LEU HD2 . 16100 1 772 . 1 1 80 80 LEU HD23 H 1 0.955 0.020 . 2 . . . . 80 LEU HD2 . 16100 1 773 . 1 1 80 80 LEU HG H 1 1.584 0.020 . 1 . . . . 80 LEU HG . 16100 1 774 . 1 1 80 80 LEU CA C 13 53.718 0.400 . 1 . . . . 80 LEU CA . 16100 1 775 . 1 1 80 80 LEU CB C 13 39.800 0.400 . 1 . . . . 80 LEU CB . 16100 1 776 . 1 1 80 80 LEU CD1 C 13 25.403 0.400 . 1 . . . . 80 LEU CD1 . 16100 1 777 . 1 1 80 80 LEU CD2 C 13 22.845 0.400 . 1 . . . . 80 LEU CD2 . 16100 1 778 . 1 1 80 80 LEU CG C 13 26.770 0.400 . 1 . . . . 80 LEU CG . 16100 1 779 . 1 1 80 80 LEU N N 15 123.071 0.400 . 1 . . . . 80 LEU N . 16100 1 780 . 1 1 81 81 PRO HA H 1 4.341 0.020 . 1 . . . . 81 PRO HA . 16100 1 781 . 1 1 81 81 PRO HB2 H 1 2.365 0.020 . 2 . . . . 81 PRO HB2 . 16100 1 782 . 1 1 81 81 PRO HB3 H 1 1.843 0.020 . 2 . . . . 81 PRO HB3 . 16100 1 783 . 1 1 81 81 PRO HD2 H 1 3.948 0.020 . 2 . . . . 81 PRO HD2 . 16100 1 784 . 1 1 81 81 PRO HD3 H 1 3.767 0.020 . 2 . . . . 81 PRO HD3 . 16100 1 785 . 1 1 81 81 PRO HG2 H 1 2.177 0.020 . 2 . . . . 81 PRO HG2 . 16100 1 786 . 1 1 81 81 PRO HG3 H 1 2.042 0.020 . 2 . . . . 81 PRO HG3 . 16100 1 787 . 1 1 81 81 PRO CA C 13 64.529 0.400 . 1 . . . . 81 PRO CA . 16100 1 788 . 1 1 81 81 PRO CB C 13 31.544 0.400 . 1 . . . . 81 PRO CB . 16100 1 789 . 1 1 81 81 PRO CD C 13 50.355 0.400 . 1 . . . . 81 PRO CD . 16100 1 790 . 1 1 81 81 PRO CG C 13 27.606 0.400 . 1 . . . . 81 PRO CG . 16100 1 791 . 1 1 82 82 GLY H H 1 8.911 0.020 . 1 . . . . 82 GLY H . 16100 1 792 . 1 1 82 82 GLY HA2 H 1 4.339 0.020 . 2 . . . . 82 GLY HA2 . 16100 1 793 . 1 1 82 82 GLY HA3 H 1 3.646 0.020 . 2 . . . . 82 GLY HA3 . 16100 1 794 . 1 1 82 82 GLY CA C 13 44.464 0.400 . 1 . . . . 82 GLY CA . 16100 1 795 . 1 1 82 82 GLY N N 15 112.023 0.400 . 1 . . . . 82 GLY N . 16100 1 796 . 1 1 83 83 ALA H H 1 7.393 0.020 . 1 . . . . 83 ALA H . 16100 1 797 . 1 1 83 83 ALA HA H 1 4.476 0.020 . 1 . . . . 83 ALA HA . 16100 1 798 . 1 1 83 83 ALA HB1 H 1 1.431 0.020 . 1 . . . . 83 ALA HB . 16100 1 799 . 1 1 83 83 ALA HB2 H 1 1.431 0.020 . 1 . . . . 83 ALA HB . 16100 1 800 . 1 1 83 83 ALA HB3 H 1 1.431 0.020 . 1 . . . . 83 ALA HB . 16100 1 801 . 1 1 83 83 ALA CA C 13 52.421 0.400 . 1 . . . . 83 ALA CA . 16100 1 802 . 1 1 83 83 ALA CB C 13 20.421 0.400 . 1 . . . . 83 ALA CB . 16100 1 803 . 1 1 83 83 ALA N N 15 122.556 0.400 . 1 . . . . 83 ALA N . 16100 1 804 . 1 1 84 84 ARG H H 1 9.189 0.020 . 1 . . . . 84 ARG H . 16100 1 805 . 1 1 84 84 ARG HA H 1 4.043 0.020 . 1 . . . . 84 ARG HA . 16100 1 806 . 1 1 84 84 ARG HB2 H 1 1.985 0.020 . 2 . . . . 84 ARG HB2 . 16100 1 807 . 1 1 84 84 ARG HB3 H 1 1.767 0.020 . 2 . . . . 84 ARG HB3 . 16100 1 808 . 1 1 84 84 ARG HD2 H 1 3.439 0.020 . 2 . . . . 84 ARG HD2 . 16100 1 809 . 1 1 84 84 ARG HD3 H 1 3.434 0.020 . 2 . . . . 84 ARG HD3 . 16100 1 810 . 1 1 84 84 ARG HG2 H 1 1.582 0.020 . 2 . . . . 84 ARG HG2 . 16100 1 811 . 1 1 84 84 ARG HG3 H 1 1.580 0.020 . 2 . . . . 84 ARG HG3 . 16100 1 812 . 1 1 84 84 ARG CA C 13 58.129 0.400 . 1 . . . . 84 ARG CA . 16100 1 813 . 1 1 84 84 ARG CB C 13 30.886 0.400 . 1 . . . . 84 ARG CB . 16100 1 814 . 1 1 84 84 ARG CD C 13 43.100 0.400 . 1 . . . . 84 ARG CD . 16100 1 815 . 1 1 84 84 ARG CG C 13 27.310 0.400 . 1 . . . . 84 ARG CG . 16100 1 816 . 1 1 84 84 ARG N N 15 121.487 0.400 . 1 . . . . 84 ARG N . 16100 1 817 . 1 1 86 86 GLU HA H 1 3.959 0.020 . 1 . . . . 86 GLU HA . 16100 1 818 . 1 1 86 86 GLU HB2 H 1 2.110 0.020 . 2 . . . . 86 GLU HB2 . 16100 1 819 . 1 1 86 86 GLU HB3 H 1 1.927 0.020 . 2 . . . . 86 GLU HB3 . 16100 1 820 . 1 1 86 86 GLU HG2 H 1 2.255 0.020 . 2 . . . . 86 GLU HG2 . 16100 1 821 . 1 1 86 86 GLU HG3 H 1 2.254 0.020 . 2 . . . . 86 GLU HG3 . 16100 1 822 . 1 1 86 86 GLU CA C 13 56.399 0.400 . 1 . . . . 86 GLU CA . 16100 1 823 . 1 1 86 86 GLU CB C 13 28.967 0.400 . 1 . . . . 86 GLU CB . 16100 1 824 . 1 1 86 86 GLU CG C 13 35.433 0.400 . 1 . . . . 86 GLU CG . 16100 1 825 . 1 1 87 87 ASN H H 1 8.987 0.020 . 1 . . . . 87 ASN H . 16100 1 826 . 1 1 87 87 ASN HA H 1 5.455 0.020 . 1 . . . . 87 ASN HA . 16100 1 827 . 1 1 87 87 ASN HB2 H 1 2.699 0.020 . 2 . . . . 87 ASN HB2 . 16100 1 828 . 1 1 87 87 ASN HB3 H 1 2.510 0.020 . 2 . . . . 87 ASN HB3 . 16100 1 829 . 1 1 87 87 ASN CA C 13 53.459 0.400 . 1 . . . . 87 ASN CA . 16100 1 830 . 1 1 87 87 ASN CB C 13 43.354 0.400 . 1 . . . . 87 ASN CB . 16100 1 831 . 1 1 87 87 ASN N N 15 120.046 0.400 . 1 . . . . 87 ASN N . 16100 1 832 . 1 1 88 88 SER H H 1 9.326 0.020 . 1 . . . . 88 SER H . 16100 1 833 . 1 1 88 88 SER HA H 1 4.685 0.020 . 1 . . . . 88 SER HA . 16100 1 834 . 1 1 88 88 SER HB2 H 1 3.868 0.020 . 2 . . . . 88 SER HB2 . 16100 1 835 . 1 1 88 88 SER HB3 H 1 3.853 0.020 . 2 . . . . 88 SER HB3 . 16100 1 836 . 1 1 88 88 SER CA C 13 57.264 0.400 . 1 . . . . 88 SER CA . 16100 1 837 . 1 1 88 88 SER CB C 13 66.259 0.400 . 1 . . . . 88 SER CB . 16100 1 838 . 1 1 88 88 SER N N 15 114.038 0.400 . 1 . . . . 88 SER N . 16100 1 839 . 1 1 89 89 GLY H H 1 7.746 0.020 . 1 . . . . 89 GLY H . 16100 1 840 . 1 1 89 89 GLY HA2 H 1 3.930 0.020 . 2 . . . . 89 GLY HA2 . 16100 1 841 . 1 1 89 89 GLY HA3 H 1 3.950 0.020 . 2 . . . . 89 GLY HA3 . 16100 1 842 . 1 1 89 89 GLY CA C 13 45.194 0.400 . 1 . . . . 89 GLY CA . 16100 1 843 . 1 1 89 89 GLY N N 15 108.734 0.400 . 1 . . . . 89 GLY N . 16100 1 844 . 1 1 90 90 GLU HA H 1 4.783 0.020 . 1 . . . . 90 GLU HA . 16100 1 845 . 1 1 90 90 GLU HB2 H 1 1.799 0.020 . 2 . . . . 90 GLU HB2 . 16100 1 846 . 1 1 90 90 GLU HB3 H 1 1.787 0.020 . 2 . . . . 90 GLU HB3 . 16100 1 847 . 1 1 90 90 GLU HG2 H 1 1.941 0.020 . 2 . . . . 90 GLU HG2 . 16100 1 848 . 1 1 90 90 GLU HG3 H 1 1.938 0.020 . 2 . . . . 90 GLU HG3 . 16100 1 849 . 1 1 90 90 GLU CA C 13 54.843 0.400 . 1 . . . . 90 GLU CA . 16100 1 850 . 1 1 90 90 GLU CB C 13 33.669 0.400 . 1 . . . . 90 GLU CB . 16100 1 851 . 1 1 90 90 GLU CG C 13 36.335 0.400 . 1 . . . . 90 GLU CG . 16100 1 852 . 1 1 91 91 VAL H H 1 9.261 0.020 . 1 . . . . 91 VAL H . 16100 1 853 . 1 1 91 91 VAL HA H 1 4.800 0.020 . 1 . . . . 91 VAL HA . 16100 1 854 . 1 1 91 91 VAL HB H 1 1.403 0.020 . 1 . . . . 91 VAL HB . 16100 1 855 . 1 1 91 91 VAL HG11 H 1 0.090 0.020 . 2 . . . . 91 VAL HG1 . 16100 1 856 . 1 1 91 91 VAL HG12 H 1 0.090 0.020 . 2 . . . . 91 VAL HG1 . 16100 1 857 . 1 1 91 91 VAL HG13 H 1 0.090 0.020 . 2 . . . . 91 VAL HG1 . 16100 1 858 . 1 1 91 91 VAL HG21 H 1 -0.054 0.020 . 2 . . . . 91 VAL HG2 . 16100 1 859 . 1 1 91 91 VAL HG22 H 1 -0.054 0.020 . 2 . . . . 91 VAL HG2 . 16100 1 860 . 1 1 91 91 VAL HG23 H 1 -0.054 0.020 . 2 . . . . 91 VAL HG2 . 16100 1 861 . 1 1 91 91 VAL CA C 13 59.599 0.400 . 1 . . . . 91 VAL CA . 16100 1 862 . 1 1 91 91 VAL CB C 13 33.653 0.400 . 1 . . . . 91 VAL CB . 16100 1 863 . 1 1 91 91 VAL CG1 C 13 20.616 0.400 . 1 . . . . 91 VAL CG1 . 16100 1 864 . 1 1 91 91 VAL CG2 C 13 20.616 0.400 . 1 . . . . 91 VAL CG2 . 16100 1 865 . 1 1 91 91 VAL N N 15 125.403 0.400 . 1 . . . . 91 VAL N . 16100 1 866 . 1 1 92 92 LEU H H 1 8.737 0.020 . 1 . . . . 92 LEU H . 16100 1 867 . 1 1 92 92 LEU HA H 1 4.939 0.020 . 1 . . . . 92 LEU HA . 16100 1 868 . 1 1 92 92 LEU HB2 H 1 1.406 0.020 . 2 . . . . 92 LEU HB2 . 16100 1 869 . 1 1 92 92 LEU HB3 H 1 1.399 0.020 . 2 . . . . 92 LEU HB3 . 16100 1 870 . 1 1 92 92 LEU HD11 H 1 0.802 0.020 . 2 . . . . 92 LEU HD1 . 16100 1 871 . 1 1 92 92 LEU HD12 H 1 0.802 0.020 . 2 . . . . 92 LEU HD1 . 16100 1 872 . 1 1 92 92 LEU HD13 H 1 0.802 0.020 . 2 . . . . 92 LEU HD1 . 16100 1 873 . 1 1 92 92 LEU HD21 H 1 0.732 0.020 . 2 . . . . 92 LEU HD2 . 16100 1 874 . 1 1 92 92 LEU HD22 H 1 0.732 0.020 . 2 . . . . 92 LEU HD2 . 16100 1 875 . 1 1 92 92 LEU HD23 H 1 0.732 0.020 . 2 . . . . 92 LEU HD2 . 16100 1 876 . 1 1 92 92 LEU HG H 1 1.452 0.020 . 1 . . . . 92 LEU HG . 16100 1 877 . 1 1 92 92 LEU CA C 13 52.248 0.400 . 1 . . . . 92 LEU CA . 16100 1 878 . 1 1 92 92 LEU CB C 13 45.243 0.400 . 1 . . . . 92 LEU CB . 16100 1 879 . 1 1 92 92 LEU CD1 C 13 23.617 0.400 . 1 . . . . 92 LEU CD1 . 16100 1 880 . 1 1 92 92 LEU CD2 C 13 24.750 0.400 . 1 . . . . 92 LEU CD2 . 16100 1 881 . 1 1 92 92 LEU CG C 13 26.770 0.400 . 1 . . . . 92 LEU CG . 16100 1 882 . 1 1 92 92 LEU N N 15 125.079 0.400 . 1 . . . . 92 LEU N . 16100 1 883 . 1 1 93 93 PHE H H 1 8.005 0.020 . 1 . . . . 93 PHE H . 16100 1 884 . 1 1 93 93 PHE HA H 1 5.131 0.020 . 1 . . . . 93 PHE HA . 16100 1 885 . 1 1 93 93 PHE HB2 H 1 3.076 0.020 . 2 . . . . 93 PHE HB2 . 16100 1 886 . 1 1 93 93 PHE HB3 H 1 2.639 0.020 . 2 . . . . 93 PHE HB3 . 16100 1 887 . 1 1 93 93 PHE HD1 H 1 6.945 0.020 . 1 . . . . 93 PHE HD1 . 16100 1 888 . 1 1 93 93 PHE HD2 H 1 6.945 0.020 . 1 . . . . 93 PHE HD2 . 16100 1 889 . 1 1 93 93 PHE CA C 13 55.708 0.400 . 1 . . . . 93 PHE CA . 16100 1 890 . 1 1 93 93 PHE CB C 13 40.313 0.400 . 1 . . . . 93 PHE CB . 16100 1 891 . 1 1 93 93 PHE CD1 C 13 132.170 0.400 . 1 . . . . 93 PHE CD1 . 16100 1 892 . 1 1 93 93 PHE N N 15 117.732 0.400 . 1 . . . . 93 PHE N . 16100 1 893 . 1 1 94 94 ARG H H 1 9.122 0.020 . 1 . . . . 94 ARG H . 16100 1 894 . 1 1 94 94 ARG HA H 1 5.180 0.020 . 1 . . . . 94 ARG HA . 16100 1 895 . 1 1 94 94 ARG HB2 H 1 1.923 0.020 . 2 . . . . 94 ARG HB2 . 16100 1 896 . 1 1 94 94 ARG HB3 H 1 1.917 0.020 . 2 . . . . 94 ARG HB3 . 16100 1 897 . 1 1 94 94 ARG HD2 H 1 3.088 0.020 . 2 . . . . 94 ARG HD2 . 16100 1 898 . 1 1 94 94 ARG HD3 H 1 3.101 0.020 . 2 . . . . 94 ARG HD3 . 16100 1 899 . 1 1 94 94 ARG HG2 H 1 1.644 0.020 . 2 . . . . 94 ARG HG2 . 16100 1 900 . 1 1 94 94 ARG HG3 H 1 1.552 0.020 . 2 . . . . 94 ARG HG3 . 16100 1 901 . 1 1 94 94 ARG CA C 13 53.014 0.400 . 1 . . . . 94 ARG CA . 16100 1 902 . 1 1 94 94 ARG CB C 13 31.491 0.400 . 1 . . . . 94 ARG CB . 16100 1 903 . 1 1 94 94 ARG CD C 13 43.813 0.400 . 1 . . . . 94 ARG CD . 16100 1 904 . 1 1 94 94 ARG CG C 13 25.953 0.400 . 1 . . . . 94 ARG CG . 16100 1 905 . 1 1 94 94 ARG N N 15 122.292 0.400 . 1 . . . . 94 ARG N . 16100 1 906 . 1 1 95 95 PRO HA H 1 4.691 0.020 . 1 . . . . 95 PRO HA . 16100 1 907 . 1 1 95 95 PRO HB2 H 1 2.419 0.020 . 2 . . . . 95 PRO HB2 . 16100 1 908 . 1 1 95 95 PRO HB3 H 1 1.926 0.020 . 2 . . . . 95 PRO HB3 . 16100 1 909 . 1 1 95 95 PRO HD2 H 1 3.949 0.020 . 2 . . . . 95 PRO HD2 . 16100 1 910 . 1 1 95 95 PRO HD3 H 1 3.721 0.020 . 2 . . . . 95 PRO HD3 . 16100 1 911 . 1 1 95 95 PRO HG2 H 1 2.201 0.020 . 2 . . . . 95 PRO HG2 . 16100 1 912 . 1 1 95 95 PRO HG3 H 1 2.092 0.020 . 2 . . . . 95 PRO HG3 . 16100 1 913 . 1 1 95 95 PRO CA C 13 63.578 0.400 . 1 . . . . 95 PRO CA . 16100 1 914 . 1 1 95 95 PRO CB C 13 31.664 0.400 . 1 . . . . 95 PRO CB . 16100 1 915 . 1 1 95 95 PRO CD C 13 50.357 0.400 . 1 . . . . 95 PRO CD . 16100 1 916 . 1 1 95 95 PRO CG C 13 27.632 0.400 . 1 . . . . 95 PRO CG . 16100 1 917 . 1 1 96 96 ALA H H 1 8.414 0.020 . 1 . . . . 96 ALA H . 16100 1 918 . 1 1 96 96 ALA HA H 1 4.578 0.020 . 1 . . . . 96 ALA HA . 16100 1 919 . 1 1 96 96 ALA HB1 H 1 1.141 0.020 . 1 . . . . 96 ALA HB . 16100 1 920 . 1 1 96 96 ALA HB2 H 1 1.141 0.020 . 1 . . . . 96 ALA HB . 16100 1 921 . 1 1 96 96 ALA HB3 H 1 1.141 0.020 . 1 . . . . 96 ALA HB . 16100 1 922 . 1 1 96 96 ALA CA C 13 49.826 0.400 . 1 . . . . 96 ALA CA . 16100 1 923 . 1 1 96 96 ALA CB C 13 18.518 0.400 . 1 . . . . 96 ALA CB . 16100 1 924 . 1 1 96 96 ALA N N 15 127.369 0.400 . 1 . . . . 96 ALA N . 16100 1 925 . 1 1 97 97 PRO HA H 1 4.409 0.020 . 1 . . . . 97 PRO HA . 16100 1 926 . 1 1 97 97 PRO HB2 H 1 2.304 0.020 . 2 . . . . 97 PRO HB2 . 16100 1 927 . 1 1 97 97 PRO HB3 H 1 1.875 0.020 . 2 . . . . 97 PRO HB3 . 16100 1 928 . 1 1 97 97 PRO HD2 H 1 3.791 0.020 . 2 . . . . 97 PRO HD2 . 16100 1 929 . 1 1 97 97 PRO HD3 H 1 3.591 0.020 . 2 . . . . 97 PRO HD3 . 16100 1 930 . 1 1 97 97 PRO HG2 H 1 2.053 0.020 . 2 . . . . 97 PRO HG2 . 16100 1 931 . 1 1 97 97 PRO HG3 H 1 2.012 0.020 . 2 . . . . 97 PRO HG3 . 16100 1 932 . 1 1 97 97 PRO CA C 13 63.491 0.400 . 1 . . . . 97 PRO CA . 16100 1 933 . 1 1 97 97 PRO CB C 13 31.491 0.400 . 1 . . . . 97 PRO CB . 16100 1 934 . 1 1 97 97 PRO CD C 13 50.355 0.400 . 1 . . . . 97 PRO CD . 16100 1 935 . 1 1 97 97 PRO CG C 13 27.606 0.400 . 1 . . . . 97 PRO CG . 16100 1 936 . 1 1 98 98 GLY H H 1 8.747 0.020 . 1 . . . . 98 GLY H . 16100 1 937 . 1 1 98 98 GLY HA2 H 1 3.878 0.020 . 2 . . . . 98 GLY HA2 . 16100 1 938 . 1 1 98 98 GLY HA3 H 1 3.827 0.020 . 2 . . . . 98 GLY HA3 . 16100 1 939 . 1 1 98 98 GLY CA C 13 46.194 0.400 . 1 . . . . 98 GLY CA . 16100 1 940 . 1 1 98 98 GLY N N 15 110.703 0.400 . 1 . . . . 98 GLY N . 16100 1 941 . 1 1 99 99 ALA H H 1 8.250 0.020 . 1 . . . . 99 ALA H . 16100 1 942 . 1 1 99 99 ALA HA H 1 4.384 0.020 . 1 . . . . 99 ALA HA . 16100 1 943 . 1 1 99 99 ALA HB1 H 1 1.380 0.020 . 1 . . . . 99 ALA HB . 16100 1 944 . 1 1 99 99 ALA HB2 H 1 1.380 0.020 . 1 . . . . 99 ALA HB . 16100 1 945 . 1 1 99 99 ALA HB3 H 1 1.380 0.020 . 1 . . . . 99 ALA HB . 16100 1 946 . 1 1 99 99 ALA CA C 13 52.075 0.400 . 1 . . . . 99 ALA CA . 16100 1 947 . 1 1 99 99 ALA CB C 13 18.345 0.400 . 1 . . . . 99 ALA CB . 16100 1 948 . 1 1 99 99 ALA N N 15 120.934 0.400 . 1 . . . . 99 ALA N . 16100 1 949 . 1 1 100 100 ARG H H 1 7.482 0.020 . 1 . . . . 100 ARG H . 16100 1 950 . 1 1 100 100 ARG HA H 1 4.270 0.020 . 1 . . . . 100 ARG HA . 16100 1 951 . 1 1 100 100 ARG HB2 H 1 1.860 0.020 . 2 . . . . 100 ARG HB2 . 16100 1 952 . 1 1 100 100 ARG HB3 H 1 1.647 0.020 . 2 . . . . 100 ARG HB3 . 16100 1 953 . 1 1 100 100 ARG HD2 H 1 3.187 0.020 . 2 . . . . 100 ARG HD2 . 16100 1 954 . 1 1 100 100 ARG HD3 H 1 3.182 0.020 . 2 . . . . 100 ARG HD3 . 16100 1 955 . 1 1 100 100 ARG HG2 H 1 1.570 0.020 . 2 . . . . 100 ARG HG2 . 16100 1 956 . 1 1 100 100 ARG HG3 H 1 1.570 0.020 . 2 . . . . 100 ARG HG3 . 16100 1 957 . 1 1 100 100 ARG CA C 13 56.226 0.400 . 1 . . . . 100 ARG CA . 16100 1 958 . 1 1 100 100 ARG CB C 13 30.000 0.400 . 1 . . . . 100 ARG CB . 16100 1 959 . 1 1 100 100 ARG CD C 13 43.100 0.400 . 1 . . . . 100 ARG CD . 16100 1 960 . 1 1 100 100 ARG CG C 13 27.310 0.400 . 1 . . . . 100 ARG CG . 16100 1 961 . 1 1 100 100 ARG N N 15 117.048 0.400 . 1 . . . . 100 ARG N . 16100 1 962 . 1 1 101 101 GLY H H 1 7.927 0.020 . 1 . . . . 101 GLY H . 16100 1 963 . 1 1 101 101 GLY HA2 H 1 4.400 0.020 . 2 . . . . 101 GLY HA2 . 16100 1 964 . 1 1 101 101 GLY HA3 H 1 3.865 0.020 . 2 . . . . 101 GLY HA3 . 16100 1 965 . 1 1 101 101 GLY CA C 13 44.724 0.400 . 1 . . . . 101 GLY CA . 16100 1 966 . 1 1 101 101 GLY N N 15 106.784 0.400 . 1 . . . . 101 GLY N . 16100 1 967 . 1 1 102 102 THR H H 1 9.221 0.020 . 1 . . . . 102 THR H . 16100 1 968 . 1 1 102 102 THR HA H 1 4.754 0.020 . 1 . . . . 102 THR HA . 16100 1 969 . 1 1 102 102 THR HB H 1 4.010 0.020 . 1 . . . . 102 THR HB . 16100 1 970 . 1 1 102 102 THR HG21 H 1 1.294 0.020 . 1 . . . . 102 THR HG2 . 16100 1 971 . 1 1 102 102 THR HG22 H 1 1.294 0.020 . 1 . . . . 102 THR HG2 . 16100 1 972 . 1 1 102 102 THR HG23 H 1 1.294 0.020 . 1 . . . . 102 THR HG2 . 16100 1 973 . 1 1 102 102 THR CA C 13 62.021 0.400 . 1 . . . . 102 THR CA . 16100 1 974 . 1 1 102 102 THR CB C 13 71.362 0.400 . 1 . . . . 102 THR CB . 16100 1 975 . 1 1 102 102 THR CG2 C 13 22.570 0.400 . 1 . . . . 102 THR CG2 . 16100 1 976 . 1 1 102 102 THR N N 15 120.469 0.400 . 1 . . . . 102 THR N . 16100 1 977 . 1 1 103 103 GLU H H 1 9.856 0.020 . 1 . . . . 103 GLU H . 16100 1 978 . 1 1 103 103 GLU HA H 1 4.876 0.020 . 1 . . . . 103 GLU HA . 16100 1 979 . 1 1 103 103 GLU HB2 H 1 2.032 0.020 . 2 . . . . 103 GLU HB2 . 16100 1 980 . 1 1 103 103 GLU HB3 H 1 1.699 0.020 . 2 . . . . 103 GLU HB3 . 16100 1 981 . 1 1 103 103 GLU HG2 H 1 2.034 0.020 . 2 . . . . 103 GLU HG2 . 16100 1 982 . 1 1 103 103 GLU HG3 H 1 1.950 0.020 . 2 . . . . 103 GLU HG3 . 16100 1 983 . 1 1 103 103 GLU CA C 13 55.275 0.400 . 1 . . . . 103 GLU CA . 16100 1 984 . 1 1 103 103 GLU CB C 13 30.713 0.400 . 1 . . . . 103 GLU CB . 16100 1 985 . 1 1 103 103 GLU CG C 13 36.010 0.400 . 1 . . . . 103 GLU CG . 16100 1 986 . 1 1 103 103 GLU N N 15 129.111 0.400 . 1 . . . . 103 GLU N . 16100 1 987 . 1 1 104 104 VAL H H 1 9.321 0.020 . 1 . . . . 104 VAL H . 16100 1 988 . 1 1 104 104 VAL HA H 1 4.635 0.020 . 1 . . . . 104 VAL HA . 16100 1 989 . 1 1 104 104 VAL HB H 1 2.129 0.020 . 1 . . . . 104 VAL HB . 16100 1 990 . 1 1 104 104 VAL HG11 H 1 1.164 0.020 . 2 . . . . 104 VAL HG1 . 16100 1 991 . 1 1 104 104 VAL HG12 H 1 1.164 0.020 . 2 . . . . 104 VAL HG1 . 16100 1 992 . 1 1 104 104 VAL HG13 H 1 1.164 0.020 . 2 . . . . 104 VAL HG1 . 16100 1 993 . 1 1 104 104 VAL HG21 H 1 0.420 0.020 . 2 . . . . 104 VAL HG2 . 16100 1 994 . 1 1 104 104 VAL HG22 H 1 0.420 0.020 . 2 . . . . 104 VAL HG2 . 16100 1 995 . 1 1 104 104 VAL HG23 H 1 0.420 0.020 . 2 . . . . 104 VAL HG2 . 16100 1 996 . 1 1 104 104 VAL CA C 13 60.810 0.400 . 1 . . . . 104 VAL CA . 16100 1 997 . 1 1 104 104 VAL CB C 13 32.443 0.400 . 1 . . . . 104 VAL CB . 16100 1 998 . 1 1 104 104 VAL CG1 C 13 22.658 0.400 . 1 . . . . 104 VAL CG1 . 16100 1 999 . 1 1 104 104 VAL CG2 C 13 20.340 0.400 . 1 . . . . 104 VAL CG2 . 16100 1 1000 . 1 1 104 104 VAL N N 15 129.427 0.400 . 1 . . . . 104 VAL N . 16100 1 1001 . 1 1 105 105 VAL H H 1 8.521 0.020 . 1 . . . . 105 VAL H . 16100 1 1002 . 1 1 105 105 VAL HA H 1 4.516 0.020 . 1 . . . . 105 VAL HA . 16100 1 1003 . 1 1 105 105 VAL HB H 1 1.773 0.020 . 1 . . . . 105 VAL HB . 16100 1 1004 . 1 1 105 105 VAL HG11 H 1 0.714 0.020 . 2 . . . . 105 VAL HG1 . 16100 1 1005 . 1 1 105 105 VAL HG12 H 1 0.714 0.020 . 2 . . . . 105 VAL HG1 . 16100 1 1006 . 1 1 105 105 VAL HG13 H 1 0.714 0.020 . 2 . . . . 105 VAL HG1 . 16100 1 1007 . 1 1 105 105 VAL HG21 H 1 0.710 0.020 . 2 . . . . 105 VAL HG2 . 16100 1 1008 . 1 1 105 105 VAL HG22 H 1 0.710 0.020 . 2 . . . . 105 VAL HG2 . 16100 1 1009 . 1 1 105 105 VAL HG23 H 1 0.710 0.020 . 2 . . . . 105 VAL HG2 . 16100 1 1010 . 1 1 105 105 VAL CA C 13 60.551 0.400 . 1 . . . . 105 VAL CA . 16100 1 1011 . 1 1 105 105 VAL CB C 13 33.913 0.400 . 1 . . . . 105 VAL CB . 16100 1 1012 . 1 1 105 105 VAL CG1 C 13 21.380 0.400 . 1 . . . . 105 VAL CG1 . 16100 1 1013 . 1 1 105 105 VAL CG2 C 13 21.342 0.400 . 1 . . . . 105 VAL CG2 . 16100 1 1014 . 1 1 105 105 VAL N N 15 126.061 0.400 . 1 . . . . 105 VAL N . 16100 1 1015 . 1 1 106 106 VAL H H 1 8.786 0.020 . 1 . . . . 106 VAL H . 16100 1 1016 . 1 1 106 106 VAL HA H 1 4.637 0.020 . 1 . . . . 106 VAL HA . 16100 1 1017 . 1 1 106 106 VAL HB H 1 1.859 0.020 . 1 . . . . 106 VAL HB . 16100 1 1018 . 1 1 106 106 VAL HG11 H 1 0.885 0.020 . 2 . . . . 106 VAL HG1 . 16100 1 1019 . 1 1 106 106 VAL HG12 H 1 0.885 0.020 . 2 . . . . 106 VAL HG1 . 16100 1 1020 . 1 1 106 106 VAL HG13 H 1 0.885 0.020 . 2 . . . . 106 VAL HG1 . 16100 1 1021 . 1 1 106 106 VAL HG21 H 1 0.662 0.020 . 2 . . . . 106 VAL HG2 . 16100 1 1022 . 1 1 106 106 VAL HG22 H 1 0.662 0.020 . 2 . . . . 106 VAL HG2 . 16100 1 1023 . 1 1 106 106 VAL HG23 H 1 0.662 0.020 . 2 . . . . 106 VAL HG2 . 16100 1 1024 . 1 1 106 106 VAL CA C 13 60.897 0.400 . 1 . . . . 106 VAL CA . 16100 1 1025 . 1 1 106 106 VAL CB C 13 33.999 0.400 . 1 . . . . 106 VAL CB . 16100 1 1026 . 1 1 106 106 VAL CG1 C 13 23.207 0.400 . 1 . . . . 106 VAL CG1 . 16100 1 1027 . 1 1 106 106 VAL CG2 C 13 22.570 0.400 . 1 . . . . 106 VAL CG2 . 16100 1 1028 . 1 1 106 106 VAL N N 15 126.294 0.400 . 1 . . . . 106 VAL N . 16100 1 1029 . 1 1 107 107 ARG H H 1 8.681 0.020 . 1 . . . . 107 ARG H . 16100 1 1030 . 1 1 107 107 ARG HA H 1 5.208 0.020 . 1 . . . . 107 ARG HA . 16100 1 1031 . 1 1 107 107 ARG HB2 H 1 1.734 0.020 . 2 . . . . 107 ARG HB2 . 16100 1 1032 . 1 1 107 107 ARG HB3 H 1 1.727 0.020 . 2 . . . . 107 ARG HB3 . 16100 1 1033 . 1 1 107 107 ARG HD2 H 1 3.095 0.020 . 2 . . . . 107 ARG HD2 . 16100 1 1034 . 1 1 107 107 ARG HD3 H 1 3.091 0.020 . 2 . . . . 107 ARG HD3 . 16100 1 1035 . 1 1 107 107 ARG HG2 H 1 1.389 0.020 . 2 . . . . 107 ARG HG2 . 16100 1 1036 . 1 1 107 107 ARG HG3 H 1 1.387 0.020 . 2 . . . . 107 ARG HG3 . 16100 1 1037 . 1 1 107 107 ARG CA C 13 54.324 0.400 . 1 . . . . 107 ARG CA . 16100 1 1038 . 1 1 107 107 ARG CB C 13 32.875 0.400 . 1 . . . . 107 ARG CB . 16100 1 1039 . 1 1 107 107 ARG CD C 13 43.100 0.400 . 1 . . . . 107 ARG CD . 16100 1 1040 . 1 1 107 107 ARG CG C 13 27.133 0.400 . 1 . . . . 107 ARG CG . 16100 1 1041 . 1 1 107 107 ARG N N 15 126.718 0.400 . 1 . . . . 107 ARG N . 16100 1 1042 . 1 1 108 108 LEU H H 1 9.515 0.020 . 1 . . . . 108 LEU H . 16100 1 1043 . 1 1 108 108 LEU HA H 1 5.230 0.020 . 1 . . . . 108 LEU HA . 16100 1 1044 . 1 1 108 108 LEU HB2 H 1 1.894 0.020 . 2 . . . . 108 LEU HB2 . 16100 1 1045 . 1 1 108 108 LEU HB3 H 1 1.606 0.020 . 2 . . . . 108 LEU HB3 . 16100 1 1046 . 1 1 108 108 LEU HD11 H 1 0.957 0.020 . 2 . . . . 108 LEU HD1 . 16100 1 1047 . 1 1 108 108 LEU HD12 H 1 0.957 0.020 . 2 . . . . 108 LEU HD1 . 16100 1 1048 . 1 1 108 108 LEU HD13 H 1 0.957 0.020 . 2 . . . . 108 LEU HD1 . 16100 1 1049 . 1 1 108 108 LEU HD21 H 1 0.908 0.020 . 2 . . . . 108 LEU HD2 . 16100 1 1050 . 1 1 108 108 LEU HD22 H 1 0.908 0.020 . 2 . . . . 108 LEU HD2 . 16100 1 1051 . 1 1 108 108 LEU HD23 H 1 0.908 0.020 . 2 . . . . 108 LEU HD2 . 16100 1 1052 . 1 1 108 108 LEU HG H 1 1.540 0.020 . 1 . . . . 108 LEU HG . 16100 1 1053 . 1 1 108 108 LEU CA C 13 53.199 0.400 . 1 . . . . 108 LEU CA . 16100 1 1054 . 1 1 108 108 LEU CB C 13 44.983 0.400 . 1 . . . . 108 LEU CB . 16100 1 1055 . 1 1 108 108 LEU CD1 C 13 23.053 0.400 . 1 . . . . 108 LEU CD1 . 16100 1 1056 . 1 1 108 108 LEU CD2 C 13 23.010 0.400 . 1 . . . . 108 LEU CD2 . 16100 1 1057 . 1 1 108 108 LEU CG C 13 26.770 0.400 . 1 . . . . 108 LEU CG . 16100 1 1058 . 1 1 108 108 LEU N N 15 126.868 0.400 . 1 . . . . 108 LEU N . 16100 1 1059 . 1 1 109 109 THR H H 1 8.871 0.020 . 1 . . . . 109 THR H . 16100 1 1060 . 1 1 109 109 THR HA H 1 5.549 0.020 . 1 . . . . 109 THR HA . 16100 1 1061 . 1 1 109 109 THR HB H 1 3.841 0.020 . 1 . . . . 109 THR HB . 16100 1 1062 . 1 1 109 109 THR HG21 H 1 0.953 0.020 . 1 . . . . 109 THR HG2 . 16100 1 1063 . 1 1 109 109 THR HG22 H 1 0.953 0.020 . 1 . . . . 109 THR HG2 . 16100 1 1064 . 1 1 109 109 THR HG23 H 1 0.953 0.020 . 1 . . . . 109 THR HG2 . 16100 1 1065 . 1 1 109 109 THR CA C 13 60.118 0.400 . 1 . . . . 109 THR CA . 16100 1 1066 . 1 1 109 109 THR CB C 13 70.670 0.400 . 1 . . . . 109 THR CB . 16100 1 1067 . 1 1 109 109 THR CG2 C 13 20.912 0.400 . 1 . . . . 109 THR CG2 . 16100 1 1068 . 1 1 109 109 THR N N 15 116.088 0.400 . 1 . . . . 109 THR N . 16100 1 1069 . 1 1 110 110 TYR H H 1 8.753 0.020 . 1 . . . . 110 TYR H . 16100 1 1070 . 1 1 110 110 TYR HA H 1 5.373 0.020 . 1 . . . . 110 TYR HA . 16100 1 1071 . 1 1 110 110 TYR HB2 H 1 2.941 0.020 . 2 . . . . 110 TYR HB2 . 16100 1 1072 . 1 1 110 110 TYR HB3 H 1 2.647 0.020 . 2 . . . . 110 TYR HB3 . 16100 1 1073 . 1 1 110 110 TYR HD1 H 1 6.534 0.020 . 1 . . . . 110 TYR HD1 . 16100 1 1074 . 1 1 110 110 TYR HD2 H 1 6.534 0.020 . 1 . . . . 110 TYR HD2 . 16100 1 1075 . 1 1 110 110 TYR HE1 H 1 6.498 0.020 . 1 . . . . 110 TYR HE1 . 16100 1 1076 . 1 1 110 110 TYR HE2 H 1 6.498 0.020 . 1 . . . . 110 TYR HE2 . 16100 1 1077 . 1 1 110 110 TYR CA C 13 56.140 0.400 . 1 . . . . 110 TYR CA . 16100 1 1078 . 1 1 110 110 TYR CB C 13 40.745 0.400 . 1 . . . . 110 TYR CB . 16100 1 1079 . 1 1 110 110 TYR CD1 C 13 132.540 0.400 . 1 . . . . 110 TYR CD1 . 16100 1 1080 . 1 1 110 110 TYR CE1 C 13 117.266 0.400 . 1 . . . . 110 TYR CE1 . 16100 1 1081 . 1 1 110 110 TYR N N 15 118.245 0.400 . 1 . . . . 110 TYR N . 16100 1 1082 . 1 1 111 111 ARG H H 1 7.953 0.020 . 1 . . . . 111 ARG H . 16100 1 1083 . 1 1 111 111 ARG HA H 1 4.963 0.020 . 1 . . . . 111 ARG HA . 16100 1 1084 . 1 1 111 111 ARG HB2 H 1 1.845 0.020 . 2 . . . . 111 ARG HB2 . 16100 1 1085 . 1 1 111 111 ARG HB3 H 1 1.613 0.020 . 2 . . . . 111 ARG HB3 . 16100 1 1086 . 1 1 111 111 ARG HD2 H 1 3.100 0.020 . 2 . . . . 111 ARG HD2 . 16100 1 1087 . 1 1 111 111 ARG HD3 H 1 3.105 0.020 . 2 . . . . 111 ARG HD3 . 16100 1 1088 . 1 1 111 111 ARG HG2 H 1 1.500 0.020 . 2 . . . . 111 ARG HG2 . 16100 1 1089 . 1 1 111 111 ARG HG3 H 1 1.495 0.020 . 2 . . . . 111 ARG HG3 . 16100 1 1090 . 1 1 111 111 ARG CA C 13 52.075 0.400 . 1 . . . . 111 ARG CA . 16100 1 1091 . 1 1 111 111 ARG CB C 13 32.010 0.400 . 1 . . . . 111 ARG CB . 16100 1 1092 . 1 1 111 111 ARG CD C 13 43.100 0.400 . 1 . . . . 111 ARG CD . 16100 1 1093 . 1 1 111 111 ARG CG C 13 27.163 0.400 . 1 . . . . 111 ARG CG . 16100 1 1094 . 1 1 111 111 ARG N N 15 120.511 0.400 . 1 . . . . 111 ARG N . 16100 1 1095 . 1 1 113 113 PRO HA H 1 4.545 0.020 . 1 . . . . 113 PRO HA . 16100 1 1096 . 1 1 113 113 PRO HB2 H 1 2.376 0.020 . 2 . . . . 113 PRO HB2 . 16100 1 1097 . 1 1 113 113 PRO HB3 H 1 1.575 0.020 . 2 . . . . 113 PRO HB3 . 16100 1 1098 . 1 1 113 113 PRO HD2 H 1 3.640 0.020 . 2 . . . . 113 PRO HD2 . 16100 1 1099 . 1 1 113 113 PRO HD3 H 1 3.467 0.020 . 2 . . . . 113 PRO HD3 . 16100 1 1100 . 1 1 113 113 PRO HG2 H 1 2.022 0.020 . 2 . . . . 113 PRO HG2 . 16100 1 1101 . 1 1 113 113 PRO HG3 H 1 1.702 0.020 . 2 . . . . 113 PRO HG3 . 16100 1 1102 . 1 1 113 113 PRO CA C 13 64.529 0.400 . 1 . . . . 113 PRO CA . 16100 1 1103 . 1 1 113 113 PRO CB C 13 31.098 0.400 . 1 . . . . 113 PRO CB . 16100 1 1104 . 1 1 113 113 PRO CD C 13 50.280 0.400 . 1 . . . . 113 PRO CD . 16100 1 1105 . 1 1 113 113 PRO CG C 13 28.640 0.400 . 1 . . . . 113 PRO CG . 16100 1 1106 . 1 1 114 114 GLY H H 1 7.733 0.020 . 1 . . . . 114 GLY H . 16100 1 1107 . 1 1 114 114 GLY HA2 H 1 4.160 0.020 . 2 . . . . 114 GLY HA2 . 16100 1 1108 . 1 1 114 114 GLY HA3 H 1 3.909 0.020 . 2 . . . . 114 GLY HA3 . 16100 1 1109 . 1 1 114 114 GLY CA C 13 44.291 0.400 . 1 . . . . 114 GLY CA . 16100 1 1110 . 1 1 114 114 GLY N N 15 101.846 0.400 . 1 . . . . 114 GLY N . 16100 1 1111 . 1 1 115 115 GLY H H 1 8.448 0.020 . 1 . . . . 115 GLY H . 16100 1 1112 . 1 1 115 115 GLY HA2 H 1 4.142 0.020 . 2 . . . . 115 GLY HA2 . 16100 1 1113 . 1 1 115 115 GLY HA3 H 1 3.927 0.020 . 2 . . . . 115 GLY HA3 . 16100 1 1114 . 1 1 115 115 GLY CA C 13 45.416 0.400 . 1 . . . . 115 GLY CA . 16100 1 1115 . 1 1 115 115 GLY N N 15 107.054 0.400 . 1 . . . . 115 GLY N . 16100 1 1116 . 1 1 116 116 SER H H 1 8.779 0.020 . 1 . . . . 116 SER H . 16100 1 1117 . 1 1 116 116 SER HA H 1 4.264 0.020 . 1 . . . . 116 SER HA . 16100 1 1118 . 1 1 116 116 SER HB2 H 1 3.938 0.020 . 2 . . . . 116 SER HB2 . 16100 1 1119 . 1 1 116 116 SER HB3 H 1 3.932 0.020 . 2 . . . . 116 SER HB3 . 16100 1 1120 . 1 1 116 116 SER CA C 13 60.378 0.400 . 1 . . . . 116 SER CA . 16100 1 1121 . 1 1 116 116 SER CB C 13 62.540 0.400 . 1 . . . . 116 SER CB . 16100 1 1122 . 1 1 116 116 SER N N 15 118.860 0.400 . 1 . . . . 116 SER N . 16100 1 1123 . 1 1 117 117 ALA H H 1 8.515 0.020 . 1 . . . . 117 ALA H . 16100 1 1124 . 1 1 117 117 ALA HA H 1 4.138 0.020 . 1 . . . . 117 ALA HA . 16100 1 1125 . 1 1 117 117 ALA HB1 H 1 1.444 0.020 . 1 . . . . 117 ALA HB . 16100 1 1126 . 1 1 117 117 ALA HB2 H 1 1.444 0.020 . 1 . . . . 117 ALA HB . 16100 1 1127 . 1 1 117 117 ALA HB3 H 1 1.444 0.020 . 1 . . . . 117 ALA HB . 16100 1 1128 . 1 1 117 117 ALA CA C 13 54.410 0.400 . 1 . . . . 117 ALA CA . 16100 1 1129 . 1 1 117 117 ALA CB C 13 18.605 0.400 . 1 . . . . 117 ALA CB . 16100 1 1130 . 1 1 117 117 ALA N N 15 123.565 0.400 . 1 . . . . 117 ALA N . 16100 1 1131 . 1 1 118 118 GLY H H 1 7.631 0.020 . 1 . . . . 118 GLY H . 16100 1 1132 . 1 1 118 118 GLY HA2 H 1 3.998 0.020 . 2 . . . . 118 GLY HA2 . 16100 1 1133 . 1 1 118 118 GLY HA3 H 1 3.693 0.020 . 2 . . . . 118 GLY HA3 . 16100 1 1134 . 1 1 118 118 GLY CA C 13 46.886 0.400 . 1 . . . . 118 GLY CA . 16100 1 1135 . 1 1 118 118 GLY N N 15 104.514 0.400 . 1 . . . . 118 GLY N . 16100 1 1136 . 1 1 119 119 ALA H H 1 7.808 0.020 . 1 . . . . 119 ALA H . 16100 1 1137 . 1 1 119 119 ALA HA H 1 4.250 0.020 . 1 . . . . 119 ALA HA . 16100 1 1138 . 1 1 119 119 ALA HB1 H 1 1.503 0.020 . 1 . . . . 119 ALA HB . 16100 1 1139 . 1 1 119 119 ALA HB2 H 1 1.503 0.020 . 1 . . . . 119 ALA HB . 16100 1 1140 . 1 1 119 119 ALA HB3 H 1 1.503 0.020 . 1 . . . . 119 ALA HB . 16100 1 1141 . 1 1 119 119 ALA CA C 13 54.237 0.400 . 1 . . . . 119 ALA CA . 16100 1 1142 . 1 1 119 119 ALA CB C 13 18.345 0.400 . 1 . . . . 119 ALA CB . 16100 1 1143 . 1 1 119 119 ALA N N 15 123.654 0.400 . 1 . . . . 119 ALA N . 16100 1 1144 . 1 1 120 120 VAL H H 1 7.704 0.020 . 1 . . . . 120 VAL H . 16100 1 1145 . 1 1 120 120 VAL HA H 1 3.722 0.020 . 1 . . . . 120 VAL HA . 16100 1 1146 . 1 1 120 120 VAL HB H 1 2.196 0.020 . 1 . . . . 120 VAL HB . 16100 1 1147 . 1 1 120 120 VAL HG11 H 1 1.070 0.020 . 2 . . . . 120 VAL HG1 . 16100 1 1148 . 1 1 120 120 VAL HG12 H 1 1.070 0.020 . 2 . . . . 120 VAL HG1 . 16100 1 1149 . 1 1 120 120 VAL HG13 H 1 1.070 0.020 . 2 . . . . 120 VAL HG1 . 16100 1 1150 . 1 1 120 120 VAL HG21 H 1 0.963 0.020 . 2 . . . . 120 VAL HG2 . 16100 1 1151 . 1 1 120 120 VAL HG22 H 1 0.963 0.020 . 2 . . . . 120 VAL HG2 . 16100 1 1152 . 1 1 120 120 VAL HG23 H 1 0.963 0.020 . 2 . . . . 120 VAL HG2 . 16100 1 1153 . 1 1 120 120 VAL CA C 13 65.394 0.400 . 1 . . . . 120 VAL CA . 16100 1 1154 . 1 1 120 120 VAL CB C 13 31.578 0.400 . 1 . . . . 120 VAL CB . 16100 1 1155 . 1 1 120 120 VAL CG1 C 13 22.174 0.400 . 1 . . . . 120 VAL CG1 . 16100 1 1156 . 1 1 120 120 VAL CG2 C 13 22.042 0.400 . 1 . . . . 120 VAL CG2 . 16100 1 1157 . 1 1 120 120 VAL N N 15 117.229 0.400 . 1 . . . . 120 VAL N . 16100 1 1158 . 1 1 121 121 ILE HA H 1 4.200 0.020 . 1 . . . . 121 ILE HA . 16100 1 1159 . 1 1 121 121 ILE HB H 1 1.800 0.020 . 1 . . . . 121 ILE HB . 16100 1 1160 . 1 1 121 121 ILE CA C 13 63.578 0.400 . 1 . . . . 121 ILE CA . 16100 1 1161 . 1 1 121 121 ILE CB C 13 37.402 0.400 . 1 . . . . 121 ILE CB . 16100 1 1162 . 1 1 122 122 ALA H H 1 7.890 0.020 . 1 . . . . 122 ALA H . 16100 1 1163 . 1 1 122 122 ALA HA H 1 4.162 0.020 . 1 . . . . 122 ALA HA . 16100 1 1164 . 1 1 122 122 ALA HB1 H 1 1.515 0.020 . 1 . . . . 122 ALA HB . 16100 1 1165 . 1 1 122 122 ALA HB2 H 1 1.515 0.020 . 1 . . . . 122 ALA HB . 16100 1 1166 . 1 1 122 122 ALA HB3 H 1 1.515 0.020 . 1 . . . . 122 ALA HB . 16100 1 1167 . 1 1 122 122 ALA CA C 13 54.843 0.400 . 1 . . . . 122 ALA CA . 16100 1 1168 . 1 1 122 122 ALA CB C 13 18.345 0.400 . 1 . . . . 122 ALA CB . 16100 1 1169 . 1 1 122 122 ALA N N 15 120.452 0.400 . 1 . . . . 122 ALA N . 16100 1 1170 . 1 1 123 123 ARG H H 1 7.660 0.020 . 1 . . . . 123 ARG H . 16100 1 1171 . 1 1 123 123 ARG HA H 1 4.265 0.020 . 1 . . . . 123 ARG HA . 16100 1 1172 . 1 1 123 123 ARG HB2 H 1 1.954 0.020 . 2 . . . . 123 ARG HB2 . 16100 1 1173 . 1 1 123 123 ARG HB3 H 1 1.952 0.020 . 2 . . . . 123 ARG HB3 . 16100 1 1174 . 1 1 123 123 ARG HD2 H 1 3.208 0.020 . 2 . . . . 123 ARG HD2 . 16100 1 1175 . 1 1 123 123 ARG HD3 H 1 3.206 0.020 . 2 . . . . 123 ARG HD3 . 16100 1 1176 . 1 1 123 123 ARG HG2 H 1 1.694 0.020 . 2 . . . . 123 ARG HG2 . 16100 1 1177 . 1 1 123 123 ARG HG3 H 1 1.698 0.020 . 2 . . . . 123 ARG HG3 . 16100 1 1178 . 1 1 123 123 ARG CA C 13 57.417 0.400 . 1 . . . . 123 ARG CA . 16100 1 1179 . 1 1 123 123 ARG CB C 13 30.210 0.400 . 1 . . . . 123 ARG CB . 16100 1 1180 . 1 1 123 123 ARG CD C 13 43.100 0.400 . 1 . . . . 123 ARG CD . 16100 1 1181 . 1 1 123 123 ARG CG C 13 27.321 0.400 . 1 . . . . 123 ARG CG . 16100 1 1182 . 1 1 123 123 ARG N N 15 115.622 0.400 . 1 . . . . 123 ARG N . 16100 1 1183 . 1 1 134 134 ARG HA H 1 4.270 0.020 . 1 . . . . 134 ARG HA . 16100 1 1184 . 1 1 134 134 ARG HB2 H 1 1.790 0.020 . 2 . . . . 134 ARG HB2 . 16100 1 1185 . 1 1 134 134 ARG HB3 H 1 1.780 0.020 . 2 . . . . 134 ARG HB3 . 16100 1 1186 . 1 1 134 134 ARG CA C 13 57.524 0.400 . 1 . . . . 134 ARG CA . 16100 1 1187 . 1 1 135 135 ASP H H 1 7.812 0.020 . 1 . . . . 135 ASP H . 16100 1 1188 . 1 1 135 135 ASP HA H 1 4.023 0.020 . 1 . . . . 135 ASP HA . 16100 1 1189 . 1 1 135 135 ASP HB2 H 1 2.045 0.020 . 2 . . . . 135 ASP HB2 . 16100 1 1190 . 1 1 135 135 ASP HB3 H 1 2.034 0.020 . 2 . . . . 135 ASP HB3 . 16100 1 1191 . 1 1 135 135 ASP CA C 13 59.772 0.400 . 1 . . . . 135 ASP CA . 16100 1 1192 . 1 1 135 135 ASP CB C 13 42.302 0.400 . 1 . . . . 135 ASP CB . 16100 1 1193 . 1 1 135 135 ASP N N 15 119.323 0.400 . 1 . . . . 135 ASP N . 16100 1 1194 . 1 1 136 136 ASP H H 1 8.399 0.020 . 1 . . . . 136 ASP H . 16100 1 1195 . 1 1 136 136 ASP HA H 1 4.422 0.020 . 1 . . . . 136 ASP HA . 16100 1 1196 . 1 1 136 136 ASP HB2 H 1 2.764 0.020 . 2 . . . . 136 ASP HB2 . 16100 1 1197 . 1 1 136 136 ASP HB3 H 1 2.757 0.020 . 2 . . . . 136 ASP HB3 . 16100 1 1198 . 1 1 136 136 ASP CA C 13 57.351 0.400 . 1 . . . . 136 ASP CA . 16100 1 1199 . 1 1 136 136 ASP CB C 13 39.448 0.400 . 1 . . . . 136 ASP CB . 16100 1 1200 . 1 1 136 136 ASP N N 15 119.422 0.400 . 1 . . . . 136 ASP N . 16100 1 1201 . 1 1 137 137 LEU H H 1 9.158 0.020 . 1 . . . . 137 LEU H . 16100 1 1202 . 1 1 137 137 LEU HA H 1 4.440 0.020 . 1 . . . . 137 LEU HA . 16100 1 1203 . 1 1 137 137 LEU HB2 H 1 2.116 0.020 . 2 . . . . 137 LEU HB2 . 16100 1 1204 . 1 1 137 137 LEU HB3 H 1 1.580 0.020 . 2 . . . . 137 LEU HB3 . 16100 1 1205 . 1 1 137 137 LEU HD11 H 1 0.984 0.020 . 2 . . . . 137 LEU HD1 . 16100 1 1206 . 1 1 137 137 LEU HD12 H 1 0.984 0.020 . 2 . . . . 137 LEU HD1 . 16100 1 1207 . 1 1 137 137 LEU HD13 H 1 0.984 0.020 . 2 . . . . 137 LEU HD1 . 16100 1 1208 . 1 1 137 137 LEU HD21 H 1 0.876 0.020 . 2 . . . . 137 LEU HD2 . 16100 1 1209 . 1 1 137 137 LEU HD22 H 1 0.876 0.020 . 2 . . . . 137 LEU HD2 . 16100 1 1210 . 1 1 137 137 LEU HD23 H 1 0.876 0.020 . 2 . . . . 137 LEU HD2 . 16100 1 1211 . 1 1 137 137 LEU HG H 1 1.546 0.020 . 1 . . . . 137 LEU HG . 16100 1 1212 . 1 1 137 137 LEU CA C 13 58.129 0.400 . 1 . . . . 137 LEU CA . 16100 1 1213 . 1 1 137 137 LEU CB C 13 40.832 0.400 . 1 . . . . 137 LEU CB . 16100 1 1214 . 1 1 137 137 LEU CD1 C 13 21.443 0.400 . 1 . . . . 137 LEU CD1 . 16100 1 1215 . 1 1 137 137 LEU CD2 C 13 25.290 0.400 . 1 . . . . 137 LEU CD2 . 16100 1 1216 . 1 1 137 137 LEU CG C 13 26.770 0.400 . 1 . . . . 137 LEU CG . 16100 1 1217 . 1 1 137 137 LEU N N 15 123.358 0.400 . 1 . . . . 137 LEU N . 16100 1 1218 . 1 1 138 138 MET H H 1 8.814 0.020 . 1 . . . . 138 MET H . 16100 1 1219 . 1 1 138 138 MET HA H 1 4.516 0.020 . 1 . . . . 138 MET HA . 16100 1 1220 . 1 1 138 138 MET HB2 H 1 2.177 0.020 . 2 . . . . 138 MET HB2 . 16100 1 1221 . 1 1 138 138 MET HB3 H 1 2.170 0.020 . 2 . . . . 138 MET HB3 . 16100 1 1222 . 1 1 138 138 MET HE1 H 1 2.170 0.020 . 1 . . . . 138 MET HE . 16100 1 1223 . 1 1 138 138 MET HE2 H 1 2.170 0.020 . 1 . . . . 138 MET HE . 16100 1 1224 . 1 1 138 138 MET HE3 H 1 2.170 0.020 . 1 . . . . 138 MET HE . 16100 1 1225 . 1 1 138 138 MET HG2 H 1 2.411 0.020 . 2 . . . . 138 MET HG2 . 16100 1 1226 . 1 1 138 138 MET HG3 H 1 2.385 0.020 . 2 . . . . 138 MET HG3 . 16100 1 1227 . 1 1 138 138 MET CA C 13 57.610 0.400 . 1 . . . . 138 MET CA . 16100 1 1228 . 1 1 138 138 MET CB C 13 30.972 0.400 . 1 . . . . 138 MET CB . 16100 1 1229 . 1 1 138 138 MET CE C 13 16.659 0.400 . 1 . . . . 138 MET CE . 16100 1 1230 . 1 1 138 138 MET CG C 13 31.167 0.400 . 1 . . . . 138 MET CG . 16100 1 1231 . 1 1 138 138 MET N N 15 118.998 0.400 . 1 . . . . 138 MET N . 16100 1 1232 . 1 1 139 139 ARG H H 1 8.277 0.020 . 1 . . . . 139 ARG H . 16100 1 1233 . 1 1 139 139 ARG HA H 1 4.121 0.020 . 1 . . . . 139 ARG HA . 16100 1 1234 . 1 1 139 139 ARG HB2 H 1 2.161 0.020 . 2 . . . . 139 ARG HB2 . 16100 1 1235 . 1 1 139 139 ARG HB3 H 1 2.042 0.020 . 2 . . . . 139 ARG HB3 . 16100 1 1236 . 1 1 139 139 ARG HD2 H 1 3.255 0.020 . 2 . . . . 139 ARG HD2 . 16100 1 1237 . 1 1 139 139 ARG HD3 H 1 3.255 0.020 . 2 . . . . 139 ARG HD3 . 16100 1 1238 . 1 1 139 139 ARG HG2 H 1 1.684 0.020 . 2 . . . . 139 ARG HG2 . 16100 1 1239 . 1 1 139 139 ARG HG3 H 1 1.684 0.020 . 2 . . . . 139 ARG HG3 . 16100 1 1240 . 1 1 139 139 ARG CA C 13 59.533 0.400 . 1 . . . . 139 ARG CA . 16100 1 1241 . 1 1 139 139 ARG CB C 13 30.000 0.400 . 1 . . . . 139 ARG CB . 16100 1 1242 . 1 1 139 139 ARG CD C 13 43.348 0.400 . 1 . . . . 139 ARG CD . 16100 1 1243 . 1 1 139 139 ARG CG C 13 27.602 0.400 . 1 . . . . 139 ARG CG . 16100 1 1244 . 1 1 139 139 ARG N N 15 122.510 0.400 . 1 . . . . 139 ARG N . 16100 1 1245 . 1 1 140 140 PHE H H 1 8.114 0.020 . 1 . . . . 140 PHE H . 16100 1 1246 . 1 1 140 140 PHE HA H 1 4.663 0.020 . 1 . . . . 140 PHE HA . 16100 1 1247 . 1 1 140 140 PHE HB2 H 1 3.538 0.020 . 2 . . . . 140 PHE HB2 . 16100 1 1248 . 1 1 140 140 PHE HB3 H 1 3.503 0.020 . 2 . . . . 140 PHE HB3 . 16100 1 1249 . 1 1 140 140 PHE HD1 H 1 7.497 0.020 . 1 . . . . 140 PHE HD1 . 16100 1 1250 . 1 1 140 140 PHE HD2 H 1 7.497 0.020 . 1 . . . . 140 PHE HD2 . 16100 1 1251 . 1 1 140 140 PHE HE1 H 1 7.374 0.020 . 1 . . . . 140 PHE HE1 . 16100 1 1252 . 1 1 140 140 PHE HE2 H 1 7.374 0.020 . 1 . . . . 140 PHE HE2 . 16100 1 1253 . 1 1 140 140 PHE HZ H 1 7.285 0.020 . 1 . . . . 140 PHE HZ . 16100 1 1254 . 1 1 140 140 PHE CA C 13 59.859 0.400 . 1 . . . . 140 PHE CA . 16100 1 1255 . 1 1 140 140 PHE CB C 13 38.843 0.400 . 1 . . . . 140 PHE CB . 16100 1 1256 . 1 1 140 140 PHE CD1 C 13 132.911 0.400 . 1 . . . . 140 PHE CD1 . 16100 1 1257 . 1 1 140 140 PHE CE1 C 13 130.480 0.400 . 1 . . . . 140 PHE CE1 . 16100 1 1258 . 1 1 140 140 PHE CZ C 13 129.110 0.400 . 1 . . . . 140 PHE CZ . 16100 1 1259 . 1 1 140 140 PHE N N 15 120.507 0.400 . 1 . . . . 140 PHE N . 16100 1 1260 . 1 1 141 141 LYS H H 1 8.528 0.020 . 1 . . . . 141 LYS H . 16100 1 1261 . 1 1 141 141 LYS HA H 1 3.526 0.020 . 1 . . . . 141 LYS HA . 16100 1 1262 . 1 1 141 141 LYS HB2 H 1 2.277 0.020 . 2 . . . . 141 LYS HB2 . 16100 1 1263 . 1 1 141 141 LYS HB3 H 1 1.712 0.020 . 2 . . . . 141 LYS HB3 . 16100 1 1264 . 1 1 141 141 LYS HD2 H 1 1.827 0.020 . 2 . . . . 141 LYS HD2 . 16100 1 1265 . 1 1 141 141 LYS HD3 H 1 1.780 0.020 . 2 . . . . 141 LYS HD3 . 16100 1 1266 . 1 1 141 141 LYS HE2 H 1 3.080 0.020 . 2 . . . . 141 LYS HE2 . 16100 1 1267 . 1 1 141 141 LYS HE3 H 1 3.079 0.020 . 2 . . . . 141 LYS HE3 . 16100 1 1268 . 1 1 141 141 LYS HG2 H 1 1.435 0.020 . 2 . . . . 141 LYS HG2 . 16100 1 1269 . 1 1 141 141 LYS HG3 H 1 1.182 0.020 . 2 . . . . 141 LYS HG3 . 16100 1 1270 . 1 1 141 141 LYS CA C 13 60.000 0.400 . 1 . . . . 141 LYS CA . 16100 1 1271 . 1 1 141 141 LYS CB C 13 33.048 0.400 . 1 . . . . 141 LYS CB . 16100 1 1272 . 1 1 141 141 LYS CD C 13 28.780 0.400 . 1 . . . . 141 LYS CD . 16100 1 1273 . 1 1 141 141 LYS CE C 13 41.780 0.400 . 1 . . . . 141 LYS CE . 16100 1 1274 . 1 1 141 141 LYS CG C 13 24.894 0.400 . 1 . . . . 141 LYS CG . 16100 1 1275 . 1 1 141 141 LYS N N 15 119.546 0.400 . 1 . . . . 141 LYS N . 16100 1 1276 . 1 1 142 142 ARG H H 1 8.079 0.020 . 1 . . . . 142 ARG H . 16100 1 1277 . 1 1 142 142 ARG HA H 1 4.122 0.020 . 1 . . . . 142 ARG HA . 16100 1 1278 . 1 1 142 142 ARG HB2 H 1 2.014 0.020 . 2 . . . . 142 ARG HB2 . 16100 1 1279 . 1 1 142 142 ARG HB3 H 1 1.947 0.020 . 2 . . . . 142 ARG HB3 . 16100 1 1280 . 1 1 142 142 ARG HD2 H 1 3.256 0.020 . 2 . . . . 142 ARG HD2 . 16100 1 1281 . 1 1 142 142 ARG HD3 H 1 3.252 0.020 . 2 . . . . 142 ARG HD3 . 16100 1 1282 . 1 1 142 142 ARG HG2 H 1 1.834 0.020 . 2 . . . . 142 ARG HG2 . 16100 1 1283 . 1 1 142 142 ARG HG3 H 1 1.644 0.020 . 2 . . . . 142 ARG HG3 . 16100 1 1284 . 1 1 142 142 ARG CA C 13 59.261 0.400 . 1 . . . . 142 ARG CA . 16100 1 1285 . 1 1 142 142 ARG CB C 13 30.137 0.400 . 1 . . . . 142 ARG CB . 16100 1 1286 . 1 1 142 142 ARG CD C 13 43.317 0.400 . 1 . . . . 142 ARG CD . 16100 1 1287 . 1 1 142 142 ARG CG C 13 27.584 0.400 . 1 . . . . 142 ARG CG . 16100 1 1288 . 1 1 142 142 ARG N N 15 117.223 0.400 . 1 . . . . 142 ARG N . 16100 1 1289 . 1 1 143 143 GLU H H 1 8.556 0.020 . 1 . . . . 143 GLU H . 16100 1 1290 . 1 1 143 143 GLU HA H 1 3.937 0.020 . 1 . . . . 143 GLU HA . 16100 1 1291 . 1 1 143 143 GLU HB2 H 1 2.266 0.020 . 2 . . . . 143 GLU HB2 . 16100 1 1292 . 1 1 143 143 GLU HB3 H 1 2.090 0.020 . 2 . . . . 143 GLU HB3 . 16100 1 1293 . 1 1 143 143 GLU HG2 H 1 2.618 0.020 . 2 . . . . 143 GLU HG2 . 16100 1 1294 . 1 1 143 143 GLU HG3 H 1 2.369 0.020 . 2 . . . . 143 GLU HG3 . 16100 1 1295 . 1 1 143 143 GLU CA C 13 59.257 0.400 . 1 . . . . 143 GLU CA . 16100 1 1296 . 1 1 143 143 GLU CB C 13 28.661 0.400 . 1 . . . . 143 GLU CB . 16100 1 1297 . 1 1 143 143 GLU CG C 13 35.105 0.400 . 1 . . . . 143 GLU CG . 16100 1 1298 . 1 1 143 143 GLU N N 15 117.594 0.400 . 1 . . . . 143 GLU N . 16100 1 1299 . 1 1 144 144 GLN H H 1 8.226 0.020 . 1 . . . . 144 GLN H . 16100 1 1300 . 1 1 144 144 GLN HA H 1 3.783 0.020 . 1 . . . . 144 GLN HA . 16100 1 1301 . 1 1 144 144 GLN HB2 H 1 1.826 0.020 . 2 . . . . 144 GLN HB2 . 16100 1 1302 . 1 1 144 144 GLN HB3 H 1 1.699 0.020 . 2 . . . . 144 GLN HB3 . 16100 1 1303 . 1 1 144 144 GLN HE21 H 1 7.390 0.020 . 2 . . . . 144 GLN HE21 . 16100 1 1304 . 1 1 144 144 GLN HE22 H 1 6.935 0.020 . 2 . . . . 144 GLN HE22 . 16100 1 1305 . 1 1 144 144 GLN HG2 H 1 1.952 0.020 . 2 . . . . 144 GLN HG2 . 16100 1 1306 . 1 1 144 144 GLN HG3 H 1 1.948 0.020 . 2 . . . . 144 GLN HG3 . 16100 1 1307 . 1 1 144 144 GLN CA C 13 57.264 0.400 . 1 . . . . 144 GLN CA . 16100 1 1308 . 1 1 144 144 GLN CB C 13 28.805 0.400 . 1 . . . . 144 GLN CB . 16100 1 1309 . 1 1 144 144 GLN CG C 13 34.558 0.400 . 1 . . . . 144 GLN CG . 16100 1 1310 . 1 1 144 144 GLN N N 15 116.169 0.400 . 1 . . . . 144 GLN N . 16100 1 1311 . 1 1 144 144 GLN NE2 N 15 114.620 0.400 . 1 . . . . 144 GLN NE2 . 16100 1 1312 . 1 1 145 145 GLU H H 1 8.209 0.020 . 1 . . . . 145 GLU H . 16100 1 1313 . 1 1 145 145 GLU HA H 1 4.056 0.020 . 1 . . . . 145 GLU HA . 16100 1 1314 . 1 1 145 145 GLU HB2 H 1 2.047 0.020 . 2 . . . . 145 GLU HB2 . 16100 1 1315 . 1 1 145 145 GLU HB3 H 1 2.041 0.020 . 2 . . . . 145 GLU HB3 . 16100 1 1316 . 1 1 145 145 GLU HG2 H 1 2.689 0.020 . 2 . . . . 145 GLU HG2 . 16100 1 1317 . 1 1 145 145 GLU HG3 H 1 2.139 0.020 . 2 . . . . 145 GLU HG3 . 16100 1 1318 . 1 1 145 145 GLU CA C 13 58.216 0.400 . 1 . . . . 145 GLU CA . 16100 1 1319 . 1 1 145 145 GLU CB C 13 29.156 0.400 . 1 . . . . 145 GLU CB . 16100 1 1320 . 1 1 145 145 GLU CG C 13 37.935 0.400 . 1 . . . . 145 GLU CG . 16100 1 1321 . 1 1 145 145 GLU N N 15 116.426 0.400 . 1 . . . . 145 GLU N . 16100 1 1322 . 1 1 146 146 LEU H H 1 7.869 0.020 . 1 . . . . 146 LEU H . 16100 1 1323 . 1 1 146 146 LEU HA H 1 4.318 0.020 . 1 . . . . 146 LEU HA . 16100 1 1324 . 1 1 146 146 LEU HB2 H 1 1.828 0.020 . 2 . . . . 146 LEU HB2 . 16100 1 1325 . 1 1 146 146 LEU HB3 H 1 1.572 0.020 . 2 . . . . 146 LEU HB3 . 16100 1 1326 . 1 1 146 146 LEU HD11 H 1 0.878 0.020 . 2 . . . . 146 LEU HD1 . 16100 1 1327 . 1 1 146 146 LEU HD12 H 1 0.878 0.020 . 2 . . . . 146 LEU HD1 . 16100 1 1328 . 1 1 146 146 LEU HD13 H 1 0.878 0.020 . 2 . . . . 146 LEU HD1 . 16100 1 1329 . 1 1 146 146 LEU HD21 H 1 0.878 0.020 . 2 . . . . 146 LEU HD2 . 16100 1 1330 . 1 1 146 146 LEU HD22 H 1 0.878 0.020 . 2 . . . . 146 LEU HD2 . 16100 1 1331 . 1 1 146 146 LEU HD23 H 1 0.878 0.020 . 2 . . . . 146 LEU HD2 . 16100 1 1332 . 1 1 146 146 LEU HG H 1 1.540 0.020 . 1 . . . . 146 LEU HG . 16100 1 1333 . 1 1 146 146 LEU CA C 13 56.053 0.400 . 1 . . . . 146 LEU CA . 16100 1 1334 . 1 1 146 146 LEU CB C 13 42.306 0.400 . 1 . . . . 146 LEU CB . 16100 1 1335 . 1 1 146 146 LEU CD1 C 13 23.225 0.400 . 1 . . . . 146 LEU CD1 . 16100 1 1336 . 1 1 146 146 LEU CD2 C 13 23.213 0.400 . 1 . . . . 146 LEU CD2 . 16100 1 1337 . 1 1 146 146 LEU CG C 13 26.770 0.400 . 1 . . . . 146 LEU CG . 16100 1 1338 . 1 1 146 146 LEU N N 15 119.872 0.400 . 1 . . . . 146 LEU N . 16100 1 1339 . 1 1 147 147 GLY H H 1 7.853 0.020 . 1 . . . . 147 GLY H . 16100 1 1340 . 1 1 147 147 GLY HA2 H 1 3.943 0.020 . 2 . . . . 147 GLY HA2 . 16100 1 1341 . 1 1 147 147 GLY HA3 H 1 3.918 0.020 . 2 . . . . 147 GLY HA3 . 16100 1 1342 . 1 1 147 147 GLY CA C 13 45.848 0.400 . 1 . . . . 147 GLY CA . 16100 1 1343 . 1 1 147 147 GLY N N 15 107.656 0.400 . 1 . . . . 147 GLY N . 16100 1 1344 . 1 1 148 148 LEU H H 1 7.889 0.020 . 1 . . . . 148 LEU H . 16100 1 1345 . 1 1 148 148 LEU HA H 1 4.237 0.020 . 1 . . . . 148 LEU HA . 16100 1 1346 . 1 1 148 148 LEU HB2 H 1 1.608 0.020 . 2 . . . . 148 LEU HB2 . 16100 1 1347 . 1 1 148 148 LEU HB3 H 1 1.515 0.020 . 2 . . . . 148 LEU HB3 . 16100 1 1348 . 1 1 148 148 LEU HD11 H 1 0.907 0.020 . 2 . . . . 148 LEU HD1 . 16100 1 1349 . 1 1 148 148 LEU HD12 H 1 0.907 0.020 . 2 . . . . 148 LEU HD1 . 16100 1 1350 . 1 1 148 148 LEU HD13 H 1 0.907 0.020 . 2 . . . . 148 LEU HD1 . 16100 1 1351 . 1 1 148 148 LEU HD21 H 1 0.826 0.020 . 2 . . . . 148 LEU HD2 . 16100 1 1352 . 1 1 148 148 LEU HD22 H 1 0.826 0.020 . 2 . . . . 148 LEU HD2 . 16100 1 1353 . 1 1 148 148 LEU HD23 H 1 0.826 0.020 . 2 . . . . 148 LEU HD2 . 16100 1 1354 . 1 1 148 148 LEU HG H 1 1.561 0.020 . 1 . . . . 148 LEU HG . 16100 1 1355 . 1 1 148 148 LEU CA C 13 55.016 0.400 . 1 . . . . 148 LEU CA . 16100 1 1356 . 1 1 148 148 LEU CB C 13 42.129 0.400 . 1 . . . . 148 LEU CB . 16100 1 1357 . 1 1 148 148 LEU CD1 C 13 24.828 0.400 . 1 . . . . 148 LEU CD1 . 16100 1 1358 . 1 1 148 148 LEU CD2 C 13 22.850 0.400 . 1 . . . . 148 LEU CD2 . 16100 1 1359 . 1 1 148 148 LEU CG C 13 26.770 0.400 . 1 . . . . 148 LEU CG . 16100 1 1360 . 1 1 148 148 LEU N N 15 119.967 0.400 . 1 . . . . 148 LEU N . 16100 1 1361 . 1 1 149 149 GLU H H 1 8.326 0.020 . 1 . . . . 149 GLU H . 16100 1 1362 . 1 1 149 149 GLU HA H 1 4.176 0.020 . 1 . . . . 149 GLU HA . 16100 1 1363 . 1 1 149 149 GLU HB2 H 1 1.900 0.020 . 2 . . . . 149 GLU HB2 . 16100 1 1364 . 1 1 149 149 GLU HB3 H 1 1.884 0.020 . 2 . . . . 149 GLU HB3 . 16100 1 1365 . 1 1 149 149 GLU HG2 H 1 2.249 0.020 . 2 . . . . 149 GLU HG2 . 16100 1 1366 . 1 1 149 149 GLU HG3 H 1 2.167 0.020 . 2 . . . . 149 GLU HG3 . 16100 1 1367 . 1 1 149 149 GLU CA C 13 56.150 0.400 . 1 . . . . 149 GLU CA . 16100 1 1368 . 1 1 149 149 GLU CB C 13 29.746 0.400 . 1 . . . . 149 GLU CB . 16100 1 1369 . 1 1 149 149 GLU CG C 13 35.036 0.400 . 1 . . . . 149 GLU CG . 16100 1 1370 . 1 1 149 149 GLU N N 15 120.319 0.400 . 1 . . . . 149 GLU N . 16100 1 1371 . 1 1 150 150 HIS H H 1 8.479 0.020 . 1 . . . . 150 HIS H . 16100 1 1372 . 1 1 150 150 HIS HA H 1 4.620 0.020 . 1 . . . . 150 HIS HA . 16100 1 1373 . 1 1 150 150 HIS HB2 H 1 3.181 0.020 . 2 . . . . 150 HIS HB2 . 16100 1 1374 . 1 1 150 150 HIS HB3 H 1 3.070 0.020 . 2 . . . . 150 HIS HB3 . 16100 1 1375 . 1 1 150 150 HIS HD2 H 1 7.080 0.020 . 1 . . . . 150 HIS HD2 . 16100 1 1376 . 1 1 150 150 HIS HE1 H 1 8.080 0.020 . 1 . . . . 150 HIS HE1 . 16100 1 1377 . 1 1 150 150 HIS CA C 13 55.003 0.400 . 1 . . . . 150 HIS CA . 16100 1 1378 . 1 1 150 150 HIS CB C 13 28.666 0.400 . 1 . . . . 150 HIS CB . 16100 1 1379 . 1 1 150 150 HIS CD2 C 13 119.840 0.400 . 1 . . . . 150 HIS CD2 . 16100 1 1380 . 1 1 150 150 HIS CE1 C 13 136.050 0.400 . 1 . . . . 150 HIS CE1 . 16100 1 1381 . 1 1 150 150 HIS N N 15 119.009 0.400 . 1 . . . . 150 HIS N . 16100 1 1382 . 1 1 151 151 HIS H H 1 8.508 0.020 . 1 . . . . 151 HIS H . 16100 1 1383 . 1 1 151 151 HIS HA H 1 4.655 0.020 . 1 . . . . 151 HIS HA . 16100 1 1384 . 1 1 151 151 HIS HB2 H 1 3.190 0.020 . 2 . . . . 151 HIS HB2 . 16100 1 1385 . 1 1 151 151 HIS HB3 H 1 3.110 0.020 . 2 . . . . 151 HIS HB3 . 16100 1 1386 . 1 1 151 151 HIS HD2 H 1 7.080 0.020 . 1 . . . . 151 HIS HD2 . 16100 1 1387 . 1 1 151 151 HIS HE1 H 1 8.080 0.020 . 1 . . . . 151 HIS HE1 . 16100 1 1388 . 1 1 151 151 HIS CA C 13 55.177 0.400 . 1 . . . . 151 HIS CA . 16100 1 1389 . 1 1 151 151 HIS CB C 13 28.960 0.400 . 1 . . . . 151 HIS CB . 16100 1 1390 . 1 1 151 151 HIS CD2 C 13 119.840 0.400 . 1 . . . . 151 HIS CD2 . 16100 1 1391 . 1 1 151 151 HIS CE1 C 13 136.050 0.400 . 1 . . . . 151 HIS CE1 . 16100 1 1392 . 1 1 151 151 HIS N N 15 118.712 0.400 . 1 . . . . 151 HIS N . 16100 1 1393 . 1 1 152 152 HIS H H 1 8.663 0.020 . 1 . . . . 152 HIS H . 16100 1 1394 . 1 1 152 152 HIS HA H 1 4.633 0.020 . 1 . . . . 152 HIS HA . 16100 1 1395 . 1 1 152 152 HIS HB2 H 1 3.187 0.020 . 2 . . . . 152 HIS HB2 . 16100 1 1396 . 1 1 152 152 HIS HB3 H 1 3.110 0.020 . 2 . . . . 152 HIS HB3 . 16100 1 1397 . 1 1 152 152 HIS HD2 H 1 7.080 0.020 . 1 . . . . 152 HIS HD2 . 16100 1 1398 . 1 1 152 152 HIS HE1 H 1 8.080 0.020 . 1 . . . . 152 HIS HE1 . 16100 1 1399 . 1 1 152 152 HIS CA C 13 55.143 0.400 . 1 . . . . 152 HIS CA . 16100 1 1400 . 1 1 152 152 HIS CB C 13 29.027 0.400 . 1 . . . . 152 HIS CB . 16100 1 1401 . 1 1 152 152 HIS CD2 C 13 119.840 0.400 . 1 . . . . 152 HIS CD2 . 16100 1 1402 . 1 1 152 152 HIS CE1 C 13 136.050 0.400 . 1 . . . . 152 HIS CE1 . 16100 1 1403 . 1 1 152 152 HIS N N 15 120.118 0.400 . 1 . . . . 152 HIS N . 16100 1 1404 . 1 1 153 153 HIS H H 1 8.613 0.020 . 1 . . . . 153 HIS H . 16100 1 1405 . 1 1 153 153 HIS HA H 1 4.645 0.020 . 1 . . . . 153 HIS HA . 16100 1 1406 . 1 1 153 153 HIS HB2 H 1 3.206 0.020 . 2 . . . . 153 HIS HB2 . 16100 1 1407 . 1 1 153 153 HIS HB3 H 1 3.120 0.020 . 2 . . . . 153 HIS HB3 . 16100 1 1408 . 1 1 153 153 HIS HD2 H 1 7.080 0.020 . 1 . . . . 153 HIS HD2 . 16100 1 1409 . 1 1 153 153 HIS HE1 H 1 8.080 0.020 . 1 . . . . 153 HIS HE1 . 16100 1 1410 . 1 1 153 153 HIS CA C 13 55.186 0.400 . 1 . . . . 153 HIS CA . 16100 1 1411 . 1 1 153 153 HIS CB C 13 28.950 0.400 . 1 . . . . 153 HIS CB . 16100 1 1412 . 1 1 153 153 HIS CD2 C 13 119.840 0.400 . 1 . . . . 153 HIS CD2 . 16100 1 1413 . 1 1 153 153 HIS CE1 C 13 136.050 0.400 . 1 . . . . 153 HIS CE1 . 16100 1 1414 . 1 1 153 153 HIS N N 15 119.388 0.400 . 1 . . . . 153 HIS N . 16100 1 1415 . 1 1 154 154 HIS H H 1 8.559 0.020 . 1 . . . . 154 HIS H . 16100 1 1416 . 1 1 154 154 HIS HA H 1 4.631 0.020 . 1 . . . . 154 HIS HA . 16100 1 1417 . 1 1 154 154 HIS HB2 H 1 3.210 0.020 . 2 . . . . 154 HIS HB2 . 16100 1 1418 . 1 1 154 154 HIS HB3 H 1 3.113 0.020 . 2 . . . . 154 HIS HB3 . 16100 1 1419 . 1 1 154 154 HIS HD2 H 1 7.080 0.020 . 1 . . . . 154 HIS HD2 . 16100 1 1420 . 1 1 154 154 HIS HE1 H 1 8.080 0.020 . 1 . . . . 154 HIS HE1 . 16100 1 1421 . 1 1 154 154 HIS CA C 13 55.259 0.400 . 1 . . . . 154 HIS CA . 16100 1 1422 . 1 1 154 154 HIS CB C 13 29.284 0.400 . 1 . . . . 154 HIS CB . 16100 1 1423 . 1 1 154 154 HIS CD2 C 13 119.840 0.400 . 1 . . . . 154 HIS CD2 . 16100 1 1424 . 1 1 154 154 HIS CE1 C 13 136.050 0.400 . 1 . . . . 154 HIS CE1 . 16100 1 1425 . 1 1 154 154 HIS N N 15 120.543 0.400 . 1 . . . . 154 HIS N . 16100 1 1426 . 1 1 155 155 HIS H H 1 8.390 0.020 . 1 . . . . 155 HIS H . 16100 1 1427 . 1 1 155 155 HIS HA H 1 4.642 0.020 . 1 . . . . 155 HIS HA . 16100 1 1428 . 1 1 155 155 HIS HB2 H 1 3.203 0.020 . 2 . . . . 155 HIS HB2 . 16100 1 1429 . 1 1 155 155 HIS HB3 H 1 3.124 0.020 . 2 . . . . 155 HIS HB3 . 16100 1 1430 . 1 1 155 155 HIS HD2 H 1 7.080 0.020 . 1 . . . . 155 HIS HD2 . 16100 1 1431 . 1 1 155 155 HIS HE1 H 1 8.080 0.020 . 1 . . . . 155 HIS HE1 . 16100 1 1432 . 1 1 155 155 HIS CA C 13 57.005 0.400 . 1 . . . . 155 HIS CA . 16100 1 1433 . 1 1 155 155 HIS CB C 13 29.368 0.400 . 1 . . . . 155 HIS CB . 16100 1 1434 . 1 1 155 155 HIS CD2 C 13 119.840 0.400 . 1 . . . . 155 HIS CD2 . 16100 1 1435 . 1 1 155 155 HIS CE1 C 13 136.050 0.400 . 1 . . . . 155 HIS CE1 . 16100 1 1436 . 1 1 155 155 HIS N N 15 125.573 0.400 . 1 . . . . 155 HIS N . 16100 1 stop_ save_