data_17390 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17390 _Entry.Title ; Solution NMR Structure of de novo designed protein, P-loop NTPase fold, Northeast Structural Genomics Consortium Target OR32 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-12-31 _Entry.Accession_date 2010-12-31 _Entry.Last_release_date 2011-01-05 _Entry.Original_release_date 2011-01-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Gaohua Liu . . . . 17390 2 Nobuyasu Koga . . . . 17390 3 Rie Koga . . . . 17390 4 Rong Xiao . . . . 17390 5 Keith Hamilton . . . . 17390 6 Haleema Janjua . . . . 17390 7 Saichu Tong . . . . 17390 8 Thomas Acton . B. . . 17390 9 John Everett . . . . 17390 10 David Baker . . . . 17390 11 Gaetano Montelione . T. . . 17390 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 17390 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 17390 PSI-Biology . 17390 'Protein NMR' . 17390 'Protein Structure Initiative' . 17390 'Structural Genomics' . 17390 'Target OR32' . 17390 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17390 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 584 17390 '15N chemical shifts' 173 17390 '1H chemical shifts' 1181 17390 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 . . 2021-09-21 2010-12-31 update BMRB 'update entry citation' 17390 1 . . 2011-01-24 2010-12-31 original author 'original release' 17390 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L82 'BMRB Entry Tracking System' 17390 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17390 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34168113 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Role of backbone strain in de novo design of complex alpha/beta protein structures ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 12 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _Citation.Journal_CSD 0353 _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 3921 _Citation.Page_last 3921 _Citation.Year 2021 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 N. Koga N. . . . 17390 1 2 R. Koga R. . . . 17390 1 3 G. Liu G. . . . 17390 1 4 J. Castellanos J. . . . 17390 1 5 G. Montelione G. T. . . 17390 1 6 D. Baker D. . . . 17390 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17390 _Assembly.ID 1 _Assembly.Name OR32 _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 OR32 1 $OR32 A . yes native no no . . . 17390 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_OR32 _Entity.Sf_category entity _Entity.Sf_framecode OR32 _Entity.Entry_ID 17390 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name OR32 _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 ; MSQIFVVFSSDPEILKEIVR EIKRQGVRVVLLYSDQDEKR RRERLEEFEKQGVDVRTVED KEDFRENIREIWERYPQLDV VVIVTTDDKEWIKDFIEEAK ERGVEVFVVYNNKDDDRRKE AQQEFRSDGVDVRTVSDKEE LIEQVRRFVRKVGSLEHHHH HH ; _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 162 _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 19701.238 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . 17390 1 2 . SER . 17390 1 3 . GLN . 17390 1 4 . ILE . 17390 1 5 . PHE . 17390 1 6 . VAL . 17390 1 7 . VAL . 17390 1 8 . PHE . 17390 1 9 . SER . 17390 1 10 . SER . 17390 1 11 . ASP . 17390 1 12 . PRO . 17390 1 13 . GLU . 17390 1 14 . ILE . 17390 1 15 . LEU . 17390 1 16 . LYS . 17390 1 17 . GLU . 17390 1 18 . ILE . 17390 1 19 . VAL . 17390 1 20 . ARG . 17390 1 21 . GLU . 17390 1 22 . ILE . 17390 1 23 . LYS . 17390 1 24 . ARG . 17390 1 25 . GLN . 17390 1 26 . GLY . 17390 1 27 . VAL . 17390 1 28 . ARG . 17390 1 29 . VAL . 17390 1 30 . VAL . 17390 1 31 . LEU . 17390 1 32 . LEU . 17390 1 33 . TYR . 17390 1 34 . SER . 17390 1 35 . ASP . 17390 1 36 . GLN . 17390 1 37 . ASP . 17390 1 38 . GLU . 17390 1 39 . LYS . 17390 1 40 . ARG . 17390 1 41 . ARG . 17390 1 42 . ARG . 17390 1 43 . GLU . 17390 1 44 . ARG . 17390 1 45 . LEU . 17390 1 46 . GLU . 17390 1 47 . GLU . 17390 1 48 . PHE . 17390 1 49 . GLU . 17390 1 50 . LYS . 17390 1 51 . GLN . 17390 1 52 . GLY . 17390 1 53 . VAL . 17390 1 54 . ASP . 17390 1 55 . VAL . 17390 1 56 . ARG . 17390 1 57 . THR . 17390 1 58 . VAL . 17390 1 59 . GLU . 17390 1 60 . ASP . 17390 1 61 . LYS . 17390 1 62 . GLU . 17390 1 63 . ASP . 17390 1 64 . PHE . 17390 1 65 . ARG . 17390 1 66 . GLU . 17390 1 67 . ASN . 17390 1 68 . ILE . 17390 1 69 . ARG . 17390 1 70 . GLU . 17390 1 71 . ILE . 17390 1 72 . TRP . 17390 1 73 . GLU . 17390 1 74 . ARG . 17390 1 75 . TYR . 17390 1 76 . PRO . 17390 1 77 . GLN . 17390 1 78 . LEU . 17390 1 79 . ASP . 17390 1 80 . VAL . 17390 1 81 . VAL . 17390 1 82 . VAL . 17390 1 83 . ILE . 17390 1 84 . VAL . 17390 1 85 . THR . 17390 1 86 . THR . 17390 1 87 . ASP . 17390 1 88 . ASP . 17390 1 89 . LYS . 17390 1 90 . GLU . 17390 1 91 . TRP . 17390 1 92 . ILE . 17390 1 93 . LYS . 17390 1 94 . ASP . 17390 1 95 . PHE . 17390 1 96 . ILE . 17390 1 97 . GLU . 17390 1 98 . GLU . 17390 1 99 . ALA . 17390 1 100 . LYS . 17390 1 101 . GLU . 17390 1 102 . ARG . 17390 1 103 . GLY . 17390 1 104 . VAL . 17390 1 105 . GLU . 17390 1 106 . VAL . 17390 1 107 . PHE . 17390 1 108 . VAL . 17390 1 109 . VAL . 17390 1 110 . TYR . 17390 1 111 . ASN . 17390 1 112 . ASN . 17390 1 113 . LYS . 17390 1 114 . ASP . 17390 1 115 . ASP . 17390 1 116 . ASP . 17390 1 117 . ARG . 17390 1 118 . ARG . 17390 1 119 . LYS . 17390 1 120 . GLU . 17390 1 121 . ALA . 17390 1 122 . GLN . 17390 1 123 . GLN . 17390 1 124 . GLU . 17390 1 125 . PHE . 17390 1 126 . ARG . 17390 1 127 . SER . 17390 1 128 . ASP . 17390 1 129 . GLY . 17390 1 130 . VAL . 17390 1 131 . ASP . 17390 1 132 . VAL . 17390 1 133 . ARG . 17390 1 134 . THR . 17390 1 135 . VAL . 17390 1 136 . SER . 17390 1 137 . ASP . 17390 1 138 . LYS . 17390 1 139 . GLU . 17390 1 140 . GLU . 17390 1 141 . LEU . 17390 1 142 . ILE . 17390 1 143 . GLU . 17390 1 144 . GLN . 17390 1 145 . VAL . 17390 1 146 . ARG . 17390 1 147 . ARG . 17390 1 148 . PHE . 17390 1 149 . VAL . 17390 1 150 . ARG . 17390 1 151 . LYS . 17390 1 152 . VAL . 17390 1 153 . GLY . 17390 1 154 . SER . 17390 1 155 . LEU . 17390 1 156 . GLU . 17390 1 157 . HIS . 17390 1 158 . HIS . 17390 1 159 . HIS . 17390 1 160 . HIS . 17390 1 161 . HIS . 17390 1 162 . HIS . 17390 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 17390 1 . SER 2 2 17390 1 . GLN 3 3 17390 1 . ILE 4 4 17390 1 . PHE 5 5 17390 1 . VAL 6 6 17390 1 . VAL 7 7 17390 1 . PHE 8 8 17390 1 . SER 9 9 17390 1 . SER 10 10 17390 1 . ASP 11 11 17390 1 . PRO 12 12 17390 1 . GLU 13 13 17390 1 . ILE 14 14 17390 1 . LEU 15 15 17390 1 . LYS 16 16 17390 1 . GLU 17 17 17390 1 . ILE 18 18 17390 1 . VAL 19 19 17390 1 . ARG 20 20 17390 1 . GLU 21 21 17390 1 . ILE 22 22 17390 1 . LYS 23 23 17390 1 . ARG 24 24 17390 1 . GLN 25 25 17390 1 . GLY 26 26 17390 1 . VAL 27 27 17390 1 . ARG 28 28 17390 1 . VAL 29 29 17390 1 . VAL 30 30 17390 1 . LEU 31 31 17390 1 . LEU 32 32 17390 1 . TYR 33 33 17390 1 . SER 34 34 17390 1 . ASP 35 35 17390 1 . GLN 36 36 17390 1 . ASP 37 37 17390 1 . GLU 38 38 17390 1 . LYS 39 39 17390 1 . ARG 40 40 17390 1 . ARG 41 41 17390 1 . ARG 42 42 17390 1 . GLU 43 43 17390 1 . ARG 44 44 17390 1 . LEU 45 45 17390 1 . GLU 46 46 17390 1 . GLU 47 47 17390 1 . PHE 48 48 17390 1 . GLU 49 49 17390 1 . LYS 50 50 17390 1 . GLN 51 51 17390 1 . GLY 52 52 17390 1 . VAL 53 53 17390 1 . ASP 54 54 17390 1 . VAL 55 55 17390 1 . ARG 56 56 17390 1 . THR 57 57 17390 1 . VAL 58 58 17390 1 . GLU 59 59 17390 1 . ASP 60 60 17390 1 . LYS 61 61 17390 1 . GLU 62 62 17390 1 . ASP 63 63 17390 1 . PHE 64 64 17390 1 . ARG 65 65 17390 1 . GLU 66 66 17390 1 . ASN 67 67 17390 1 . ILE 68 68 17390 1 . ARG 69 69 17390 1 . GLU 70 70 17390 1 . ILE 71 71 17390 1 . TRP 72 72 17390 1 . GLU 73 73 17390 1 . ARG 74 74 17390 1 . TYR 75 75 17390 1 . PRO 76 76 17390 1 . GLN 77 77 17390 1 . LEU 78 78 17390 1 . ASP 79 79 17390 1 . VAL 80 80 17390 1 . VAL 81 81 17390 1 . VAL 82 82 17390 1 . ILE 83 83 17390 1 . VAL 84 84 17390 1 . THR 85 85 17390 1 . THR 86 86 17390 1 . ASP 87 87 17390 1 . ASP 88 88 17390 1 . LYS 89 89 17390 1 . GLU 90 90 17390 1 . TRP 91 91 17390 1 . ILE 92 92 17390 1 . LYS 93 93 17390 1 . ASP 94 94 17390 1 . PHE 95 95 17390 1 . ILE 96 96 17390 1 . GLU 97 97 17390 1 . GLU 98 98 17390 1 . ALA 99 99 17390 1 . LYS 100 100 17390 1 . GLU 101 101 17390 1 . ARG 102 102 17390 1 . GLY 103 103 17390 1 . VAL 104 104 17390 1 . GLU 105 105 17390 1 . VAL 106 106 17390 1 . PHE 107 107 17390 1 . VAL 108 108 17390 1 . VAL 109 109 17390 1 . TYR 110 110 17390 1 . ASN 111 111 17390 1 . ASN 112 112 17390 1 . LYS 113 113 17390 1 . ASP 114 114 17390 1 . ASP 115 115 17390 1 . ASP 116 116 17390 1 . ARG 117 117 17390 1 . ARG 118 118 17390 1 . LYS 119 119 17390 1 . GLU 120 120 17390 1 . ALA 121 121 17390 1 . GLN 122 122 17390 1 . GLN 123 123 17390 1 . GLU 124 124 17390 1 . PHE 125 125 17390 1 . ARG 126 126 17390 1 . SER 127 127 17390 1 . ASP 128 128 17390 1 . GLY 129 129 17390 1 . VAL 130 130 17390 1 . ASP 131 131 17390 1 . VAL 132 132 17390 1 . ARG 133 133 17390 1 . THR 134 134 17390 1 . VAL 135 135 17390 1 . SER 136 136 17390 1 . ASP 137 137 17390 1 . LYS 138 138 17390 1 . GLU 139 139 17390 1 . GLU 140 140 17390 1 . LEU 141 141 17390 1 . ILE 142 142 17390 1 . GLU 143 143 17390 1 . GLN 144 144 17390 1 . VAL 145 145 17390 1 . ARG 146 146 17390 1 . ARG 147 147 17390 1 . PHE 148 148 17390 1 . VAL 149 149 17390 1 . ARG 150 150 17390 1 . LYS 151 151 17390 1 . VAL 152 152 17390 1 . GLY 153 153 17390 1 . SER 154 154 17390 1 . LEU 155 155 17390 1 . GLU 156 156 17390 1 . HIS 157 157 17390 1 . HIS 158 158 17390 1 . HIS 159 159 17390 1 . HIS 160 160 17390 1 . HIS 161 161 17390 1 . HIS 162 162 17390 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 17390 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $OR32 . . . . 'De Novo Design' . . . . . . . . . . . . . . . . . . . . 17390 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 17390 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $OR32 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . pET29b+ . . . 17390 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_NC _Sample.Sf_category sample _Sample.Sf_framecode sample_NC _Sample.Entry_ID 17390 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.06 mM [U-100% 13C; U-100% 15N] OR32, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 OR32 '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $OR32 . . 1.06 . . mM . . . . 17390 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17390 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17390 1 stop_ save_ save_sample_NC5 _Sample.Sf_category sample _Sample.Sf_framecode sample_NC5 _Sample.Entry_ID 17390 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.85 mM [U-5% 13C; U-100% 15N] OR32, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 OR32 '[U-5% 13C; U-100% 15N]' 1 $assembly 1 $OR32 . . 0.85 . . mM . . . . 17390 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17390 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17390 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 17390 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details 'NMR buffer 6.5 -- 0.02% NaN3, 10mM DTT, 5mM CaCL2, 100mM NaCL, 1x Proteinase Inhibitors, 20mM MES pH 6.5, 10% D2O, 50uM DSS' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 17390 1 pressure 1 . atm 17390 1 temperature 298 . K 17390 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17390 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17390 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'refinemen,structure solution,geometry optimization' . 17390 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17390 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17390 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'refinement,geometry optimization,structure solution' . 17390 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 17390 _Software.ID 3 _Software.Type . _Software.Name AutoStruct _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 17390 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis,refinement' . 17390 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 17390 _Software.ID 4 _Software.Type . _Software.Name AutoAssign _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 17390 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis,chemical shift assignment' . 17390 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17390 _Software.ID 5 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17390 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 17390 5 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 17390 _Software.ID 6 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 17390 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis,peak picking,chemical shift assignment' . 17390 6 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17390 _Software.ID 7 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17390 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 17390 7 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17390 _Software.ID 8 _Software.Type . _Software.Name VNMRJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17390 8 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 17390 8 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 17390 _Software.ID 9 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 17390 9 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 17390 9 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17390 _Software.ID 10 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17390 10 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 17390 10 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 17390 _Software.ID 11 _Software.Type . _Software.Name TALOS+ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio and Bax' . . 17390 11 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'geometry optimization' . 17390 11 stop_ save_ save_PALES _Software.Sf_category software _Software.Sf_framecode PALES _Software.Entry_ID 17390 _Software.ID 12 _Software.Type . _Software.Name PALES _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'PALES (Zweckstetter, Bax)' . . 17390 12 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'geometry optimization' . 17390 12 stop_ save_ save_REDCAT _Software.Sf_category software _Software.Sf_framecode REDCAT _Software.Entry_ID 17390 _Software.ID 13 _Software.Type . _Software.Name REDCAT _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Valafar, Prestegard' . . 17390 13 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'geometry optimization' . 17390 13 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 17390 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17390 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 17390 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . 1 $citations 17390 1 2 spectrometer_2 Varian INOVA . 600 . 1 $citations 17390 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 17390 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' yes . . . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 17390 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_NC5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 17390 1 3 '3D HNCO' yes . . . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 17390 1 4 '3D CBCA(CO)NH' yes . . . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 17390 1 5 '3D HNCACB' yes . . . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 17390 1 6 '3D 1H-13C arom NOESY' yes . . . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 17390 1 7 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' yes . . . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 17390 1 8 '2D 1H-15N HSQC' yes . . . . . . . . . . . . 2 $sample_NC5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 17390 1 9 '3D HBHA(CO)NH' yes . . . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 17390 1 10 '3D C(CO)NH' yes . . . . . . . . . . . . 1 $sample_NC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . . 17390 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 17390 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/b8/NHSQC/ . . . . . . . 17390 1 acqus 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/b8/NHSQC/ . . . . . . . 17390 1 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/b8/NHSQC/ . . . . . . . 17390 1 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/b8/NHSQC/ . . . . . . . 17390 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 17390 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 1H-13C arom NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/b8/aronoesy/ . . . . . . . 17390 2 acqus 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/b8/aronoesy/ . . . . . . . 17390 2 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/b8/aronoesy/ . . . . . . . 17390 2 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/b8/aronoesy/ . . . . . . . 17390 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 17390 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/b8/simnoesy/ . . . . . . . 17390 3 acqus 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/b8/simnoesy/ . . . . . . . 17390 3 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/b8/simnoesy/ . . . . . . . 17390 3 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/b8/simnoesy/ . . . . . . . 17390 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 17390 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/v6/NHSQC_35c/ . . . . . . . 17390 4 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/v6/NHSQC_35c/ . . . . . . . 17390 4 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/v6/NHSQC_35c/ . . . . . . . 17390 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 17390 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/v6/HNCO_35c/ . . . . . . . 17390 5 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/v6/HNCO_35c/ . . . . . . . 17390 5 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/v6/HNCO_35c/ . . . . . . . 17390 5 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 17390 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/v6/CBCAcoNH_35c/ . . . . . . . 17390 6 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/v6/CBCAcoNH_35c/ . . . . . . . 17390 6 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/v6/CBCAcoNH_35c/ . . . . . . . 17390 6 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 17390 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/v6/HNCACB_35c/ . . . . . . . 17390 7 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/v6/HNCACB_35c/ . . . . . . . 17390 7 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/v6/HNCACB_35c/ . . . . . . . 17390 7 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 17390 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HBHA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/v6/HBHAcoNH_35/ . . . . . . . 17390 8 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/v6/HBHAcoNH_35/ . . . . . . . 17390 8 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/v6/HBHAcoNH_35/ . . . . . . . 17390 8 stop_ save_ save_NMR_spectrometer_expt_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9 _NMR_spec_expt.Entry_ID 17390 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D C(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/v6/CConh_35c/ . . . . . . . 17390 9 fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/v6/CConh_35c/ . . . . . . . 17390 9 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr17390/timedomain_data/v6/CConh_35c/ . . . . . . . 17390 9 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 17390 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . 17390 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 17390 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 17390 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.404808636 . . . . . 17390 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 17390 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 17390 1 7 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' . . . 17390 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 SER HA H 1 4.205 0.020 . 1 . . . . . 2 SER HA . 17390 1 2 . 1 . 1 2 2 SER HB2 H 1 4.038 0.020 . 2 . . . . . 2 SER HB2 . 17390 1 3 . 1 . 1 2 2 SER HB3 H 1 3.855 0.020 . 2 . . . . . 2 SER HB3 . 17390 1 4 . 1 . 1 2 2 SER CA C 13 57.646 0.400 . 1 . . . . . 2 SER CA . 17390 1 5 . 1 . 1 2 2 SER CB C 13 63.472 0.400 . 1 . . . . . 2 SER CB . 17390 1 6 . 1 . 1 3 3 GLN H H 1 8.741 0.020 . 1 . . . . . 3 GLN H . 17390 1 7 . 1 . 1 3 3 GLN HA H 1 5.342 0.020 . 1 . . . . . 3 GLN HA . 17390 1 8 . 1 . 1 3 3 GLN HB2 H 1 2.039 0.020 . 2 . . . . . 3 GLN HB2 . 17390 1 9 . 1 . 1 3 3 GLN HB3 H 1 1.962 0.020 . 2 . . . . . 3 GLN HB3 . 17390 1 10 . 1 . 1 3 3 GLN HG2 H 1 2.185 0.020 . 2 . . . . . 3 GLN HG2 . 17390 1 11 . 1 . 1 3 3 GLN HG3 H 1 2.183 0.020 . 2 . . . . . 3 GLN HG3 . 17390 1 12 . 1 . 1 3 3 GLN HE21 H 1 7.545 0.020 . 2 . . . . . 3 GLN HE21 . 17390 1 13 . 1 . 1 3 3 GLN HE22 H 1 6.938 0.020 . 2 . . . . . 3 GLN HE22 . 17390 1 14 . 1 . 1 3 3 GLN CA C 13 54.340 0.400 . 1 . . . . . 3 GLN CA . 17390 1 15 . 1 . 1 3 3 GLN CB C 13 32.766 0.400 . 1 . . . . . 3 GLN CB . 17390 1 16 . 1 . 1 3 3 GLN CG C 13 33.919 0.400 . 1 . . . . . 3 GLN CG . 17390 1 17 . 1 . 1 3 3 GLN N N 15 121.804 0.400 . 1 . . . . . 3 GLN N . 17390 1 18 . 1 . 1 3 3 GLN NE2 N 15 111.897 0.400 . 1 . . . . . 3 GLN NE2 . 17390 1 19 . 1 . 1 4 4 ILE H H 1 8.763 0.020 . 1 . . . . . 4 ILE H . 17390 1 20 . 1 . 1 4 4 ILE HA H 1 5.140 0.020 . 1 . . . . . 4 ILE HA . 17390 1 21 . 1 . 1 4 4 ILE HB H 1 1.870 0.020 . 1 . . . . . 4 ILE HB . 17390 1 22 . 1 . 1 4 4 ILE HG12 H 1 1.840 0.020 . 2 . . . . . 4 ILE HG12 . 17390 1 23 . 1 . 1 4 4 ILE HG13 H 1 1.280 0.020 . 2 . . . . . 4 ILE HG13 . 17390 1 24 . 1 . 1 4 4 ILE HG21 H 1 1.258 0.020 . 1 . . . . . 4 ILE HG2 . 17390 1 25 . 1 . 1 4 4 ILE HG22 H 1 1.258 0.020 . 1 . . . . . 4 ILE HG2 . 17390 1 26 . 1 . 1 4 4 ILE HG23 H 1 1.258 0.020 . 1 . . . . . 4 ILE HG2 . 17390 1 27 . 1 . 1 4 4 ILE HD11 H 1 0.951 0.020 . 1 . . . . . 4 ILE HD1 . 17390 1 28 . 1 . 1 4 4 ILE HD12 H 1 0.951 0.020 . 1 . . . . . 4 ILE HD1 . 17390 1 29 . 1 . 1 4 4 ILE HD13 H 1 0.951 0.020 . 1 . . . . . 4 ILE HD1 . 17390 1 30 . 1 . 1 4 4 ILE CA C 13 57.772 0.400 . 1 . . . . . 4 ILE CA . 17390 1 31 . 1 . 1 4 4 ILE CB C 13 42.228 0.400 . 1 . . . . . 4 ILE CB . 17390 1 32 . 1 . 1 4 4 ILE CG1 C 13 29.092 0.400 . 1 . . . . . 4 ILE CG1 . 17390 1 33 . 1 . 1 4 4 ILE CG2 C 13 17.835 0.400 . 1 . . . . . 4 ILE CG2 . 17390 1 34 . 1 . 1 4 4 ILE CD1 C 13 14.394 0.400 . 1 . . . . . 4 ILE CD1 . 17390 1 35 . 1 . 1 4 4 ILE N N 15 121.954 0.400 . 1 . . . . . 4 ILE N . 17390 1 36 . 1 . 1 5 5 PHE H H 1 8.794 0.020 . 1 . . . . . 5 PHE H . 17390 1 37 . 1 . 1 5 5 PHE HA H 1 5.175 0.020 . 1 . . . . . 5 PHE HA . 17390 1 38 . 1 . 1 5 5 PHE HB2 H 1 2.233 0.020 . 2 . . . . . 5 PHE HB2 . 17390 1 39 . 1 . 1 5 5 PHE HB3 H 1 2.572 0.020 . 2 . . . . . 5 PHE HB3 . 17390 1 40 . 1 . 1 5 5 PHE HD1 H 1 6.618 0.020 . 1 . . . . . 5 PHE HD1 . 17390 1 41 . 1 . 1 5 5 PHE HD2 H 1 6.618 0.020 . 1 . . . . . 5 PHE HD2 . 17390 1 42 . 1 . 1 5 5 PHE HE1 H 1 6.698 0.020 . 1 . . . . . 5 PHE HE1 . 17390 1 43 . 1 . 1 5 5 PHE HE2 H 1 6.698 0.020 . 1 . . . . . 5 PHE HE2 . 17390 1 44 . 1 . 1 5 5 PHE HZ H 1 6.697 0.020 . 1 . . . . . 5 PHE HZ . 17390 1 45 . 1 . 1 5 5 PHE CA C 13 56.181 0.400 . 1 . . . . . 5 PHE CA . 17390 1 46 . 1 . 1 5 5 PHE CB C 13 40.548 0.400 . 1 . . . . . 5 PHE CB . 17390 1 47 . 1 . 1 5 5 PHE CD1 C 13 131.758 0.400 . 1 . . . . . 5 PHE CD1 . 17390 1 48 . 1 . 1 5 5 PHE CD2 C 13 131.969 0.400 . 1 . . . . . 5 PHE CD2 . 17390 1 49 . 1 . 1 5 5 PHE CE1 C 13 130.129 0.400 . 1 . . . . . 5 PHE CE1 . 17390 1 50 . 1 . 1 5 5 PHE CE2 C 13 130.259 0.400 . 1 . . . . . 5 PHE CE2 . 17390 1 51 . 1 . 1 5 5 PHE CZ C 13 127.921 0.400 . 1 . . . . . 5 PHE CZ . 17390 1 52 . 1 . 1 5 5 PHE N N 15 130.495 0.400 . 1 . . . . . 5 PHE N . 17390 1 53 . 1 . 1 6 6 VAL H H 1 8.702 0.020 . 1 . . . . . 6 VAL H . 17390 1 54 . 1 . 1 6 6 VAL HA H 1 5.330 0.020 . 1 . . . . . 6 VAL HA . 17390 1 55 . 1 . 1 6 6 VAL HB H 1 1.377 0.020 . 1 . . . . . 6 VAL HB . 17390 1 56 . 1 . 1 6 6 VAL HG11 H 1 0.416 0.020 . 2 . . . . . 6 VAL HG1 . 17390 1 57 . 1 . 1 6 6 VAL HG12 H 1 0.416 0.020 . 2 . . . . . 6 VAL HG1 . 17390 1 58 . 1 . 1 6 6 VAL HG13 H 1 0.416 0.020 . 2 . . . . . 6 VAL HG1 . 17390 1 59 . 1 . 1 6 6 VAL HG21 H 1 -0.020 0.020 . 2 . . . . . 6 VAL HG2 . 17390 1 60 . 1 . 1 6 6 VAL HG22 H 1 -0.020 0.020 . 2 . . . . . 6 VAL HG2 . 17390 1 61 . 1 . 1 6 6 VAL HG23 H 1 -0.020 0.020 . 2 . . . . . 6 VAL HG2 . 17390 1 62 . 1 . 1 6 6 VAL CA C 13 57.551 0.400 . 1 . . . . . 6 VAL CA . 17390 1 63 . 1 . 1 6 6 VAL CB C 13 35.002 0.400 . 1 . . . . . 6 VAL CB . 17390 1 64 . 1 . 1 6 6 VAL CG1 C 13 20.444 0.400 . 1 . . . . . 6 VAL CG1 . 17390 1 65 . 1 . 1 6 6 VAL CG2 C 13 21.756 0.400 . 1 . . . . . 6 VAL CG2 . 17390 1 66 . 1 . 1 6 6 VAL N N 15 124.904 0.400 . 1 . . . . . 6 VAL N . 17390 1 67 . 1 . 1 7 7 VAL H H 1 8.715 0.020 . 1 . . . . . 7 VAL H . 17390 1 68 . 1 . 1 7 7 VAL HA H 1 4.765 0.020 . 1 . . . . . 7 VAL HA . 17390 1 69 . 1 . 1 7 7 VAL HB H 1 1.835 0.020 . 1 . . . . . 7 VAL HB . 17390 1 70 . 1 . 1 7 7 VAL HG11 H 1 0.703 0.020 . 2 . . . . . 7 VAL HG1 . 17390 1 71 . 1 . 1 7 7 VAL HG12 H 1 0.703 0.020 . 2 . . . . . 7 VAL HG1 . 17390 1 72 . 1 . 1 7 7 VAL HG13 H 1 0.703 0.020 . 2 . . . . . 7 VAL HG1 . 17390 1 73 . 1 . 1 7 7 VAL HG21 H 1 0.704 0.020 . 2 . . . . . 7 VAL HG2 . 17390 1 74 . 1 . 1 7 7 VAL HG22 H 1 0.704 0.020 . 2 . . . . . 7 VAL HG2 . 17390 1 75 . 1 . 1 7 7 VAL HG23 H 1 0.704 0.020 . 2 . . . . . 7 VAL HG2 . 17390 1 76 . 1 . 1 7 7 VAL CA C 13 59.199 0.400 . 1 . . . . . 7 VAL CA . 17390 1 77 . 1 . 1 7 7 VAL CB C 13 34.383 0.400 . 1 . . . . . 7 VAL CB . 17390 1 78 . 1 . 1 7 7 VAL CG1 C 13 20.774 0.400 . 1 . . . . . 7 VAL CG1 . 17390 1 79 . 1 . 1 7 7 VAL CG2 C 13 20.728 0.400 . 1 . . . . . 7 VAL CG2 . 17390 1 80 . 1 . 1 7 7 VAL N N 15 125.695 0.400 . 1 . . . . . 7 VAL N . 17390 1 81 . 1 . 1 8 8 PHE H H 1 8.800 0.020 . 1 . . . . . 8 PHE H . 17390 1 82 . 1 . 1 8 8 PHE HA H 1 5.342 0.020 . 1 . . . . . 8 PHE HA . 17390 1 83 . 1 . 1 8 8 PHE HB2 H 1 2.817 0.020 . 2 . . . . . 8 PHE HB2 . 17390 1 84 . 1 . 1 8 8 PHE HB3 H 1 3.460 0.020 . 2 . . . . . 8 PHE HB3 . 17390 1 85 . 1 . 1 8 8 PHE HD1 H 1 7.171 0.020 . 1 . . . . . 8 PHE HD1 . 17390 1 86 . 1 . 1 8 8 PHE HD2 H 1 7.171 0.020 . 1 . . . . . 8 PHE HD2 . 17390 1 87 . 1 . 1 8 8 PHE HE1 H 1 6.854 0.020 . 1 . . . . . 8 PHE HE1 . 17390 1 88 . 1 . 1 8 8 PHE HE2 H 1 6.854 0.020 . 1 . . . . . 8 PHE HE2 . 17390 1 89 . 1 . 1 8 8 PHE HZ H 1 6.939 0.020 . 1 . . . . . 8 PHE HZ . 17390 1 90 . 1 . 1 8 8 PHE CA C 13 56.615 0.400 . 1 . . . . . 8 PHE CA . 17390 1 91 . 1 . 1 8 8 PHE CB C 13 40.188 0.400 . 1 . . . . . 8 PHE CB . 17390 1 92 . 1 . 1 8 8 PHE CD1 C 13 132.180 0.400 . 1 . . . . . 8 PHE CD1 . 17390 1 93 . 1 . 1 8 8 PHE CD2 C 13 132.288 0.400 . 1 . . . . . 8 PHE CD2 . 17390 1 94 . 1 . 1 8 8 PHE CE1 C 13 130.586 0.400 . 1 . . . . . 8 PHE CE1 . 17390 1 95 . 1 . 1 8 8 PHE CE2 C 13 130.600 0.400 . 1 . . . . . 8 PHE CE2 . 17390 1 96 . 1 . 1 8 8 PHE CZ C 13 128.144 0.400 . 1 . . . . . 8 PHE CZ . 17390 1 97 . 1 . 1 8 8 PHE N N 15 125.448 0.400 . 1 . . . . . 8 PHE N . 17390 1 98 . 1 . 1 9 9 SER H H 1 7.801 0.020 . 1 . . . . . 9 SER H . 17390 1 99 . 1 . 1 9 9 SER HA H 1 4.534 0.020 . 1 . . . . . 9 SER HA . 17390 1 100 . 1 . 1 9 9 SER HB2 H 1 3.167 0.020 . 2 . . . . . 9 SER HB2 . 17390 1 101 . 1 . 1 9 9 SER HB3 H 1 3.594 0.020 . 2 . . . . . 9 SER HB3 . 17390 1 102 . 1 . 1 9 9 SER HG H 1 5.912 0.020 . 1 . . . . . 9 SER HG . 17390 1 103 . 1 . 1 9 9 SER CA C 13 57.606 0.400 . 1 . . . . . 9 SER CA . 17390 1 104 . 1 . 1 9 9 SER CB C 13 63.893 0.400 . 1 . . . . . 9 SER CB . 17390 1 105 . 1 . 1 9 9 SER N N 15 114.178 0.400 . 1 . . . . . 9 SER N . 17390 1 106 . 1 . 1 10 10 SER H H 1 9.131 0.020 . 1 . . . . . 10 SER H . 17390 1 107 . 1 . 1 10 10 SER HA H 1 4.263 0.020 . 1 . . . . . 10 SER HA . 17390 1 108 . 1 . 1 10 10 SER HB2 H 1 3.516 0.020 . 2 . . . . . 10 SER HB2 . 17390 1 109 . 1 . 1 10 10 SER HB3 H 1 3.986 0.020 . 2 . . . . . 10 SER HB3 . 17390 1 110 . 1 . 1 10 10 SER CA C 13 57.503 0.400 . 1 . . . . . 10 SER CA . 17390 1 111 . 1 . 1 10 10 SER CB C 13 64.181 0.400 . 1 . . . . . 10 SER CB . 17390 1 112 . 1 . 1 10 10 SER N N 15 122.987 0.400 . 1 . . . . . 10 SER N . 17390 1 113 . 1 . 1 11 11 ASP H H 1 7.532 0.020 . 1 . . . . . 11 ASP H . 17390 1 114 . 1 . 1 11 11 ASP HA H 1 4.852 0.020 . 1 . . . . . 11 ASP HA . 17390 1 115 . 1 . 1 11 11 ASP HB2 H 1 2.733 0.020 . 2 . . . . . 11 ASP HB2 . 17390 1 116 . 1 . 1 11 11 ASP HB3 H 1 2.576 0.020 . 2 . . . . . 11 ASP HB3 . 17390 1 117 . 1 . 1 11 11 ASP CA C 13 51.277 0.400 . 1 . . . . . 11 ASP CA . 17390 1 118 . 1 . 1 11 11 ASP CB C 13 41.512 0.400 . 1 . . . . . 11 ASP CB . 17390 1 119 . 1 . 1 11 11 ASP N N 15 122.923 0.400 . 1 . . . . . 11 ASP N . 17390 1 120 . 1 . 1 12 12 PRO HA H 1 4.378 0.020 . 1 . . . . . 12 PRO HA . 17390 1 121 . 1 . 1 12 12 PRO HB2 H 1 2.430 0.020 . 2 . . . . . 12 PRO HB2 . 17390 1 122 . 1 . 1 12 12 PRO HB3 H 1 2.060 0.020 . 2 . . . . . 12 PRO HB3 . 17390 1 123 . 1 . 1 12 12 PRO HG2 H 1 2.142 0.020 . 2 . . . . . 12 PRO HG2 . 17390 1 124 . 1 . 1 12 12 PRO HG3 H 1 2.142 0.020 . 2 . . . . . 12 PRO HG3 . 17390 1 125 . 1 . 1 12 12 PRO HD2 H 1 3.987 0.020 . 2 . . . . . 12 PRO HD2 . 17390 1 126 . 1 . 1 12 12 PRO HD3 H 1 4.396 0.020 . 2 . . . . . 12 PRO HD3 . 17390 1 127 . 1 . 1 12 12 PRO CA C 13 64.396 0.400 . 1 . . . . . 12 PRO CA . 17390 1 128 . 1 . 1 12 12 PRO CB C 13 32.124 0.400 . 1 . . . . . 12 PRO CB . 17390 1 129 . 1 . 1 12 12 PRO CG C 13 27.097 0.400 . 1 . . . . . 12 PRO CG . 17390 1 130 . 1 . 1 12 12 PRO CD C 13 51.133 0.400 . 1 . . . . . 12 PRO CD . 17390 1 131 . 1 . 1 13 13 GLU H H 1 8.381 0.020 . 1 . . . . . 13 GLU H . 17390 1 132 . 1 . 1 13 13 GLU HA H 1 4.241 0.020 . 1 . . . . . 13 GLU HA . 17390 1 133 . 1 . 1 13 13 GLU HB2 H 1 2.153 0.020 . 2 . . . . . 13 GLU HB2 . 17390 1 134 . 1 . 1 13 13 GLU HB3 H 1 2.150 0.020 . 2 . . . . . 13 GLU HB3 . 17390 1 135 . 1 . 1 13 13 GLU HG2 H 1 2.415 0.020 . 2 . . . . . 13 GLU HG2 . 17390 1 136 . 1 . 1 13 13 GLU HG3 H 1 2.277 0.020 . 2 . . . . . 13 GLU HG3 . 17390 1 137 . 1 . 1 13 13 GLU CA C 13 57.956 0.400 . 1 . . . . . 13 GLU CA . 17390 1 138 . 1 . 1 13 13 GLU CB C 13 29.136 0.400 . 1 . . . . . 13 GLU CB . 17390 1 139 . 1 . 1 13 13 GLU CG C 13 36.106 0.400 . 1 . . . . . 13 GLU CG . 17390 1 140 . 1 . 1 13 13 GLU N N 15 117.790 0.400 . 1 . . . . . 13 GLU N . 17390 1 141 . 1 . 1 14 14 ILE H H 1 7.145 0.020 . 1 . . . . . 14 ILE H . 17390 1 142 . 1 . 1 14 14 ILE HA H 1 4.277 0.020 . 1 . . . . . 14 ILE HA . 17390 1 143 . 1 . 1 14 14 ILE HB H 1 1.929 0.020 . 1 . . . . . 14 ILE HB . 17390 1 144 . 1 . 1 14 14 ILE HG12 H 1 1.418 0.020 . 2 . . . . . 14 ILE HG12 . 17390 1 145 . 1 . 1 14 14 ILE HG13 H 1 1.101 0.020 . 2 . . . . . 14 ILE HG13 . 17390 1 146 . 1 . 1 14 14 ILE HG21 H 1 0.831 0.020 . 1 . . . . . 14 ILE HG2 . 17390 1 147 . 1 . 1 14 14 ILE HG22 H 1 0.831 0.020 . 1 . . . . . 14 ILE HG2 . 17390 1 148 . 1 . 1 14 14 ILE HG23 H 1 0.831 0.020 . 1 . . . . . 14 ILE HG2 . 17390 1 149 . 1 . 1 14 14 ILE HD11 H 1 0.774 0.020 . 1 . . . . . 14 ILE HD1 . 17390 1 150 . 1 . 1 14 14 ILE HD12 H 1 0.774 0.020 . 1 . . . . . 14 ILE HD1 . 17390 1 151 . 1 . 1 14 14 ILE HD13 H 1 0.774 0.020 . 1 . . . . . 14 ILE HD1 . 17390 1 152 . 1 . 1 14 14 ILE CA C 13 61.783 0.400 . 1 . . . . . 14 ILE CA . 17390 1 153 . 1 . 1 14 14 ILE CB C 13 38.243 0.400 . 1 . . . . . 14 ILE CB . 17390 1 154 . 1 . 1 14 14 ILE CG1 C 13 27.390 0.400 . 1 . . . . . 14 ILE CG1 . 17390 1 155 . 1 . 1 14 14 ILE CG2 C 13 17.629 0.400 . 1 . . . . . 14 ILE CG2 . 17390 1 156 . 1 . 1 14 14 ILE CD1 C 13 13.217 0.400 . 1 . . . . . 14 ILE CD1 . 17390 1 157 . 1 . 1 14 14 ILE N N 15 114.066 0.400 . 1 . . . . . 14 ILE N . 17390 1 158 . 1 . 1 15 15 LEU H H 1 7.156 0.020 . 1 . . . . . 15 LEU H . 17390 1 159 . 1 . 1 15 15 LEU HA H 1 3.883 0.020 . 1 . . . . . 15 LEU HA . 17390 1 160 . 1 . 1 15 15 LEU HB2 H 1 1.794 0.020 . 2 . . . . . 15 LEU HB2 . 17390 1 161 . 1 . 1 15 15 LEU HB3 H 1 1.525 0.020 . 2 . . . . . 15 LEU HB3 . 17390 1 162 . 1 . 1 15 15 LEU HG H 1 1.582 0.020 . 1 . . . . . 15 LEU HG . 17390 1 163 . 1 . 1 15 15 LEU HD11 H 1 0.747 0.020 . 2 . . . . . 15 LEU HD1 . 17390 1 164 . 1 . 1 15 15 LEU HD12 H 1 0.747 0.020 . 2 . . . . . 15 LEU HD1 . 17390 1 165 . 1 . 1 15 15 LEU HD13 H 1 0.747 0.020 . 2 . . . . . 15 LEU HD1 . 17390 1 166 . 1 . 1 15 15 LEU HD21 H 1 0.823 0.020 . 2 . . . . . 15 LEU HD2 . 17390 1 167 . 1 . 1 15 15 LEU HD22 H 1 0.823 0.020 . 2 . . . . . 15 LEU HD2 . 17390 1 168 . 1 . 1 15 15 LEU HD23 H 1 0.823 0.020 . 2 . . . . . 15 LEU HD2 . 17390 1 169 . 1 . 1 15 15 LEU CA C 13 58.025 0.400 . 1 . . . . . 15 LEU CA . 17390 1 170 . 1 . 1 15 15 LEU CB C 13 41.861 0.400 . 1 . . . . . 15 LEU CB . 17390 1 171 . 1 . 1 15 15 LEU CG C 13 26.578 0.400 . 1 . . . . . 15 LEU CG . 17390 1 172 . 1 . 1 15 15 LEU CD1 C 13 23.704 0.400 . 1 . . . . . 15 LEU CD1 . 17390 1 173 . 1 . 1 15 15 LEU CD2 C 13 24.869 0.400 . 1 . . . . . 15 LEU CD2 . 17390 1 174 . 1 . 1 15 15 LEU N N 15 120.405 0.400 . 1 . . . . . 15 LEU N . 17390 1 175 . 1 . 1 16 16 LYS H H 1 8.179 0.020 . 1 . . . . . 16 LYS H . 17390 1 176 . 1 . 1 16 16 LYS HA H 1 3.969 0.020 . 1 . . . . . 16 LYS HA . 17390 1 177 . 1 . 1 16 16 LYS HB2 H 1 1.875 0.020 . 2 . . . . . 16 LYS HB2 . 17390 1 178 . 1 . 1 16 16 LYS HB3 H 1 1.829 0.020 . 2 . . . . . 16 LYS HB3 . 17390 1 179 . 1 . 1 16 16 LYS HG2 H 1 1.595 0.020 . 2 . . . . . 16 LYS HG2 . 17390 1 180 . 1 . 1 16 16 LYS HG3 H 1 1.368 0.020 . 2 . . . . . 16 LYS HG3 . 17390 1 181 . 1 . 1 16 16 LYS HD2 H 1 1.656 0.020 . 2 . . . . . 16 LYS HD2 . 17390 1 182 . 1 . 1 16 16 LYS HD3 H 1 1.658 0.020 . 2 . . . . . 16 LYS HD3 . 17390 1 183 . 1 . 1 16 16 LYS HE2 H 1 2.862 0.020 . 2 . . . . . 16 LYS HE2 . 17390 1 184 . 1 . 1 16 16 LYS HE3 H 1 2.854 0.020 . 2 . . . . . 16 LYS HE3 . 17390 1 185 . 1 . 1 16 16 LYS CA C 13 60.295 0.400 . 1 . . . . . 16 LYS CA . 17390 1 186 . 1 . 1 16 16 LYS CB C 13 31.876 0.400 . 1 . . . . . 16 LYS CB . 17390 1 187 . 1 . 1 16 16 LYS CG C 13 25.221 0.400 . 1 . . . . . 16 LYS CG . 17390 1 188 . 1 . 1 16 16 LYS CD C 13 29.344 0.400 . 1 . . . . . 16 LYS CD . 17390 1 189 . 1 . 1 16 16 LYS CE C 13 41.579 0.400 . 1 . . . . . 16 LYS CE . 17390 1 190 . 1 . 1 16 16 LYS N N 15 115.649 0.400 . 1 . . . . . 16 LYS N . 17390 1 191 . 1 . 1 17 17 GLU H H 1 7.795 0.020 . 1 . . . . . 17 GLU H . 17390 1 192 . 1 . 1 17 17 GLU HA H 1 4.100 0.020 . 1 . . . . . 17 GLU HA . 17390 1 193 . 1 . 1 17 17 GLU HB2 H 1 2.029 0.020 . 2 . . . . . 17 GLU HB2 . 17390 1 194 . 1 . 1 17 17 GLU HB3 H 1 2.096 0.020 . 2 . . . . . 17 GLU HB3 . 17390 1 195 . 1 . 1 17 17 GLU HG2 H 1 2.321 0.020 . 2 . . . . . 17 GLU HG2 . 17390 1 196 . 1 . 1 17 17 GLU HG3 H 1 2.255 0.020 . 2 . . . . . 17 GLU HG3 . 17390 1 197 . 1 . 1 17 17 GLU CA C 13 58.954 0.400 . 1 . . . . . 17 GLU CA . 17390 1 198 . 1 . 1 17 17 GLU CB C 13 29.403 0.400 . 1 . . . . . 17 GLU CB . 17390 1 199 . 1 . 1 17 17 GLU CG C 13 36.063 0.400 . 1 . . . . . 17 GLU CG . 17390 1 200 . 1 . 1 17 17 GLU N N 15 118.224 0.400 . 1 . . . . . 17 GLU N . 17390 1 201 . 1 . 1 18 18 ILE H H 1 8.261 0.020 . 1 . . . . . 18 ILE H . 17390 1 202 . 1 . 1 18 18 ILE HA H 1 3.770 0.020 . 1 . . . . . 18 ILE HA . 17390 1 203 . 1 . 1 18 18 ILE HB H 1 1.895 0.020 . 1 . . . . . 18 ILE HB . 17390 1 204 . 1 . 1 18 18 ILE HG12 H 1 1.632 0.020 . 2 . . . . . 18 ILE HG12 . 17390 1 205 . 1 . 1 18 18 ILE HG13 H 1 1.283 0.020 . 2 . . . . . 18 ILE HG13 . 17390 1 206 . 1 . 1 18 18 ILE HG21 H 1 0.885 0.020 . 1 . . . . . 18 ILE HG2 . 17390 1 207 . 1 . 1 18 18 ILE HG22 H 1 0.885 0.020 . 1 . . . . . 18 ILE HG2 . 17390 1 208 . 1 . 1 18 18 ILE HG23 H 1 0.885 0.020 . 1 . . . . . 18 ILE HG2 . 17390 1 209 . 1 . 1 18 18 ILE HD11 H 1 0.734 0.020 . 1 . . . . . 18 ILE HD1 . 17390 1 210 . 1 . 1 18 18 ILE HD12 H 1 0.734 0.020 . 1 . . . . . 18 ILE HD1 . 17390 1 211 . 1 . 1 18 18 ILE HD13 H 1 0.734 0.020 . 1 . . . . . 18 ILE HD1 . 17390 1 212 . 1 . 1 18 18 ILE CA C 13 65.103 0.400 . 1 . . . . . 18 ILE CA . 17390 1 213 . 1 . 1 18 18 ILE CB C 13 37.413 0.400 . 1 . . . . . 18 ILE CB . 17390 1 214 . 1 . 1 18 18 ILE CG1 C 13 27.516 0.400 . 1 . . . . . 18 ILE CG1 . 17390 1 215 . 1 . 1 18 18 ILE CG2 C 13 17.941 0.400 . 1 . . . . . 18 ILE CG2 . 17390 1 216 . 1 . 1 18 18 ILE CD1 C 13 13.752 0.400 . 1 . . . . . 18 ILE CD1 . 17390 1 217 . 1 . 1 18 18 ILE N N 15 116.607 0.400 . 1 . . . . . 18 ILE N . 17390 1 218 . 1 . 1 19 19 VAL H H 1 8.031 0.020 . 1 . . . . . 19 VAL H . 17390 1 219 . 1 . 1 19 19 VAL HA H 1 3.300 0.020 . 1 . . . . . 19 VAL HA . 17390 1 220 . 1 . 1 19 19 VAL HB H 1 2.083 0.020 . 1 . . . . . 19 VAL HB . 17390 1 221 . 1 . 1 19 19 VAL HG11 H 1 0.770 0.020 . 2 . . . . . 19 VAL HG1 . 17390 1 222 . 1 . 1 19 19 VAL HG12 H 1 0.770 0.020 . 2 . . . . . 19 VAL HG1 . 17390 1 223 . 1 . 1 19 19 VAL HG13 H 1 0.770 0.020 . 2 . . . . . 19 VAL HG1 . 17390 1 224 . 1 . 1 19 19 VAL HG21 H 1 0.702 0.020 . 2 . . . . . 19 VAL HG2 . 17390 1 225 . 1 . 1 19 19 VAL HG22 H 1 0.702 0.020 . 2 . . . . . 19 VAL HG2 . 17390 1 226 . 1 . 1 19 19 VAL HG23 H 1 0.702 0.020 . 2 . . . . . 19 VAL HG2 . 17390 1 227 . 1 . 1 19 19 VAL CA C 13 67.644 0.400 . 1 . . . . . 19 VAL CA . 17390 1 228 . 1 . 1 19 19 VAL CB C 13 31.042 0.400 . 1 . . . . . 19 VAL CB . 17390 1 229 . 1 . 1 19 19 VAL CG1 C 13 21.530 0.400 . 1 . . . . . 19 VAL CG1 . 17390 1 230 . 1 . 1 19 19 VAL CG2 C 13 23.097 0.400 . 1 . . . . . 19 VAL CG2 . 17390 1 231 . 1 . 1 19 19 VAL N N 15 119.435 0.400 . 1 . . . . . 19 VAL N . 17390 1 232 . 1 . 1 20 20 ARG H H 1 7.639 0.020 . 1 . . . . . 20 ARG H . 17390 1 233 . 1 . 1 20 20 ARG HA H 1 3.959 0.020 . 1 . . . . . 20 ARG HA . 17390 1 234 . 1 . 1 20 20 ARG HB2 H 1 1.967 0.020 . 2 . . . . . 20 ARG HB2 . 17390 1 235 . 1 . 1 20 20 ARG HB3 H 1 1.967 0.020 . 2 . . . . . 20 ARG HB3 . 17390 1 236 . 1 . 1 20 20 ARG HG2 H 1 1.802 0.020 . 2 . . . . . 20 ARG HG2 . 17390 1 237 . 1 . 1 20 20 ARG HG3 H 1 1.558 0.020 . 2 . . . . . 20 ARG HG3 . 17390 1 238 . 1 . 1 20 20 ARG HD2 H 1 3.229 0.020 . 2 . . . . . 20 ARG HD2 . 17390 1 239 . 1 . 1 20 20 ARG HD3 H 1 3.227 0.020 . 2 . . . . . 20 ARG HD3 . 17390 1 240 . 1 . 1 20 20 ARG CA C 13 59.401 0.400 . 1 . . . . . 20 ARG CA . 17390 1 241 . 1 . 1 20 20 ARG CB C 13 30.134 0.400 . 1 . . . . . 20 ARG CB . 17390 1 242 . 1 . 1 20 20 ARG CG C 13 27.218 0.400 . 1 . . . . . 20 ARG CG . 17390 1 243 . 1 . 1 20 20 ARG CD C 13 43.495 0.400 . 1 . . . . . 20 ARG CD . 17390 1 244 . 1 . 1 20 20 ARG N N 15 117.611 0.400 . 1 . . . . . 20 ARG N . 17390 1 245 . 1 . 1 21 21 GLU H H 1 7.955 0.020 . 1 . . . . . 21 GLU H . 17390 1 246 . 1 . 1 21 21 GLU HA H 1 4.060 0.020 . 1 . . . . . 21 GLU HA . 17390 1 247 . 1 . 1 21 21 GLU HB2 H 1 2.021 0.020 . 2 . . . . . 21 GLU HB2 . 17390 1 248 . 1 . 1 21 21 GLU HB3 H 1 2.098 0.020 . 2 . . . . . 21 GLU HB3 . 17390 1 249 . 1 . 1 21 21 GLU HG2 H 1 2.170 0.020 . 2 . . . . . 21 GLU HG2 . 17390 1 250 . 1 . 1 21 21 GLU HG3 H 1 2.398 0.020 . 2 . . . . . 21 GLU HG3 . 17390 1 251 . 1 . 1 21 21 GLU CA C 13 58.465 0.400 . 1 . . . . . 21 GLU CA . 17390 1 252 . 1 . 1 21 21 GLU CB C 13 29.110 0.400 . 1 . . . . . 21 GLU CB . 17390 1 253 . 1 . 1 21 21 GLU CG C 13 35.639 0.400 . 1 . . . . . 21 GLU CG . 17390 1 254 . 1 . 1 21 21 GLU N N 15 117.875 0.400 . 1 . . . . . 21 GLU N . 17390 1 255 . 1 . 1 22 22 ILE H H 1 8.059 0.020 . 1 . . . . . 22 ILE H . 17390 1 256 . 1 . 1 22 22 ILE HA H 1 3.530 0.020 . 1 . . . . . 22 ILE HA . 17390 1 257 . 1 . 1 22 22 ILE HB H 1 1.669 0.020 . 1 . . . . . 22 ILE HB . 17390 1 258 . 1 . 1 22 22 ILE HG12 H 1 1.876 0.020 . 2 . . . . . 22 ILE HG12 . 17390 1 259 . 1 . 1 22 22 ILE HG13 H 1 0.689 0.020 . 2 . . . . . 22 ILE HG13 . 17390 1 260 . 1 . 1 22 22 ILE HG21 H 1 0.713 0.020 . 1 . . . . . 22 ILE HG2 . 17390 1 261 . 1 . 1 22 22 ILE HG22 H 1 0.713 0.020 . 1 . . . . . 22 ILE HG2 . 17390 1 262 . 1 . 1 22 22 ILE HG23 H 1 0.713 0.020 . 1 . . . . . 22 ILE HG2 . 17390 1 263 . 1 . 1 22 22 ILE HD11 H 1 0.676 0.020 . 1 . . . . . 22 ILE HD1 . 17390 1 264 . 1 . 1 22 22 ILE HD12 H 1 0.676 0.020 . 1 . . . . . 22 ILE HD1 . 17390 1 265 . 1 . 1 22 22 ILE HD13 H 1 0.676 0.020 . 1 . . . . . 22 ILE HD1 . 17390 1 266 . 1 . 1 22 22 ILE CA C 13 65.393 0.400 . 1 . . . . . 22 ILE CA . 17390 1 267 . 1 . 1 22 22 ILE CB C 13 38.089 0.400 . 1 . . . . . 22 ILE CB . 17390 1 268 . 1 . 1 22 22 ILE CG1 C 13 28.962 0.400 . 1 . . . . . 22 ILE CG1 . 17390 1 269 . 1 . 1 22 22 ILE CG2 C 13 18.644 0.400 . 1 . . . . . 22 ILE CG2 . 17390 1 270 . 1 . 1 22 22 ILE CD1 C 13 14.792 0.400 . 1 . . . . . 22 ILE CD1 . 17390 1 271 . 1 . 1 22 22 ILE N N 15 119.112 0.400 . 1 . . . . . 22 ILE N . 17390 1 272 . 1 . 1 23 23 LYS H H 1 8.254 0.020 . 1 . . . . . 23 LYS H . 17390 1 273 . 1 . 1 23 23 LYS HA H 1 4.195 0.020 . 1 . . . . . 23 LYS HA . 17390 1 274 . 1 . 1 23 23 LYS HB2 H 1 1.910 0.020 . 2 . . . . . 23 LYS HB2 . 17390 1 275 . 1 . 1 23 23 LYS HB3 H 1 1.915 0.020 . 2 . . . . . 23 LYS HB3 . 17390 1 276 . 1 . 1 23 23 LYS HG2 H 1 1.568 0.020 . 2 . . . . . 23 LYS HG2 . 17390 1 277 . 1 . 1 23 23 LYS HG3 H 1 1.624 0.020 . 2 . . . . . 23 LYS HG3 . 17390 1 278 . 1 . 1 23 23 LYS HD2 H 1 1.808 0.020 . 2 . . . . . 23 LYS HD2 . 17390 1 279 . 1 . 1 23 23 LYS HD3 H 1 1.619 0.020 . 2 . . . . . 23 LYS HD3 . 17390 1 280 . 1 . 1 23 23 LYS HE2 H 1 3.102 0.020 . 2 . . . . . 23 LYS HE2 . 17390 1 281 . 1 . 1 23 23 LYS HE3 H 1 3.101 0.020 . 2 . . . . . 23 LYS HE3 . 17390 1 282 . 1 . 1 23 23 LYS CA C 13 58.324 0.400 . 1 . . . . . 23 LYS CA . 17390 1 283 . 1 . 1 23 23 LYS CB C 13 31.049 0.400 . 1 . . . . . 23 LYS CB . 17390 1 284 . 1 . 1 23 23 LYS CG C 13 24.195 0.400 . 1 . . . . . 23 LYS CG . 17390 1 285 . 1 . 1 23 23 LYS CD C 13 28.090 0.400 . 1 . . . . . 23 LYS CD . 17390 1 286 . 1 . 1 23 23 LYS CE C 13 41.499 0.400 . 1 . . . . . 23 LYS CE . 17390 1 287 . 1 . 1 23 23 LYS N N 15 118.233 0.400 . 1 . . . . . 23 LYS N . 17390 1 288 . 1 . 1 24 24 ARG H H 1 8.083 0.020 . 1 . . . . . 24 ARG H . 17390 1 289 . 1 . 1 24 24 ARG HA H 1 4.134 0.020 . 1 . . . . . 24 ARG HA . 17390 1 290 . 1 . 1 24 24 ARG HB2 H 1 1.948 0.020 . 2 . . . . . 24 ARG HB2 . 17390 1 291 . 1 . 1 24 24 ARG HB3 H 1 1.947 0.020 . 2 . . . . . 24 ARG HB3 . 17390 1 292 . 1 . 1 24 24 ARG HG2 H 1 1.758 0.020 . 2 . . . . . 24 ARG HG2 . 17390 1 293 . 1 . 1 24 24 ARG HG3 H 1 1.759 0.020 . 2 . . . . . 24 ARG HG3 . 17390 1 294 . 1 . 1 24 24 ARG HD2 H 1 3.190 0.020 . 2 . . . . . 24 ARG HD2 . 17390 1 295 . 1 . 1 24 24 ARG HD3 H 1 3.189 0.020 . 2 . . . . . 24 ARG HD3 . 17390 1 296 . 1 . 1 24 24 ARG CA C 13 58.475 0.400 . 1 . . . . . 24 ARG CA . 17390 1 297 . 1 . 1 24 24 ARG CB C 13 29.663 0.400 . 1 . . . . . 24 ARG CB . 17390 1 298 . 1 . 1 24 24 ARG CG C 13 27.209 0.400 . 1 . . . . . 24 ARG CG . 17390 1 299 . 1 . 1 24 24 ARG CD C 13 43.622 0.400 . 1 . . . . . 24 ARG CD . 17390 1 300 . 1 . 1 24 24 ARG N N 15 120.000 0.400 . 1 . . . . . 24 ARG N . 17390 1 301 . 1 . 1 25 25 GLN H H 1 7.441 0.020 . 1 . . . . . 25 GLN H . 17390 1 302 . 1 . 1 25 25 GLN HA H 1 4.362 0.020 . 1 . . . . . 25 GLN HA . 17390 1 303 . 1 . 1 25 25 GLN HB2 H 1 2.400 0.020 . 2 . . . . . 25 GLN HB2 . 17390 1 304 . 1 . 1 25 25 GLN HB3 H 1 1.922 0.020 . 2 . . . . . 25 GLN HB3 . 17390 1 305 . 1 . 1 25 25 GLN HG2 H 1 2.345 0.020 . 2 . . . . . 25 GLN HG2 . 17390 1 306 . 1 . 1 25 25 GLN HG3 H 1 2.461 0.020 . 2 . . . . . 25 GLN HG3 . 17390 1 307 . 1 . 1 25 25 GLN HE21 H 1 7.592 0.020 . 2 . . . . . 25 GLN HE21 . 17390 1 308 . 1 . 1 25 25 GLN HE22 H 1 6.525 0.020 . 2 . . . . . 25 GLN HE22 . 17390 1 309 . 1 . 1 25 25 GLN CA C 13 55.055 0.400 . 1 . . . . . 25 GLN CA . 17390 1 310 . 1 . 1 25 25 GLN CB C 13 28.371 0.400 . 1 . . . . . 25 GLN CB . 17390 1 311 . 1 . 1 25 25 GLN CG C 13 32.958 0.400 . 1 . . . . . 25 GLN CG . 17390 1 312 . 1 . 1 25 25 GLN N N 15 115.275 0.400 . 1 . . . . . 25 GLN N . 17390 1 313 . 1 . 1 25 25 GLN NE2 N 15 110.706 0.400 . 1 . . . . . 25 GLN NE2 . 17390 1 314 . 1 . 1 26 26 GLY H H 1 8.039 0.020 . 1 . . . . . 26 GLY H . 17390 1 315 . 1 . 1 26 26 GLY HA2 H 1 4.079 0.020 . 2 . . . . . 26 GLY HA2 . 17390 1 316 . 1 . 1 26 26 GLY HA3 H 1 3.806 0.020 . 2 . . . . . 26 GLY HA3 . 17390 1 317 . 1 . 1 26 26 GLY CA C 13 45.741 0.400 . 1 . . . . . 26 GLY CA . 17390 1 318 . 1 . 1 26 26 GLY N N 15 106.424 0.400 . 1 . . . . . 26 GLY N . 17390 1 319 . 1 . 1 27 27 VAL H H 1 6.891 0.020 . 1 . . . . . 27 VAL H . 17390 1 320 . 1 . 1 27 27 VAL HA H 1 4.260 0.020 . 1 . . . . . 27 VAL HA . 17390 1 321 . 1 . 1 27 27 VAL HB H 1 1.786 0.020 . 1 . . . . . 27 VAL HB . 17390 1 322 . 1 . 1 27 27 VAL HG11 H 1 0.917 0.020 . 2 . . . . . 27 VAL HG1 . 17390 1 323 . 1 . 1 27 27 VAL HG12 H 1 0.917 0.020 . 2 . . . . . 27 VAL HG1 . 17390 1 324 . 1 . 1 27 27 VAL HG13 H 1 0.917 0.020 . 2 . . . . . 27 VAL HG1 . 17390 1 325 . 1 . 1 27 27 VAL HG21 H 1 0.797 0.020 . 2 . . . . . 27 VAL HG2 . 17390 1 326 . 1 . 1 27 27 VAL HG22 H 1 0.797 0.020 . 2 . . . . . 27 VAL HG2 . 17390 1 327 . 1 . 1 27 27 VAL HG23 H 1 0.797 0.020 . 2 . . . . . 27 VAL HG2 . 17390 1 328 . 1 . 1 27 27 VAL CA C 13 60.352 0.400 . 1 . . . . . 27 VAL CA . 17390 1 329 . 1 . 1 27 27 VAL CB C 13 33.388 0.400 . 1 . . . . . 27 VAL CB . 17390 1 330 . 1 . 1 27 27 VAL CG1 C 13 21.490 0.400 . 1 . . . . . 27 VAL CG1 . 17390 1 331 . 1 . 1 27 27 VAL CG2 C 13 21.915 0.400 . 1 . . . . . 27 VAL CG2 . 17390 1 332 . 1 . 1 27 27 VAL N N 15 118.997 0.400 . 1 . . . . . 27 VAL N . 17390 1 333 . 1 . 1 28 28 ARG H H 1 8.204 0.020 . 1 . . . . . 28 ARG H . 17390 1 334 . 1 . 1 28 28 ARG HA H 1 4.257 0.020 . 1 . . . . . 28 ARG HA . 17390 1 335 . 1 . 1 28 28 ARG HB2 H 1 1.912 0.020 . 2 . . . . . 28 ARG HB2 . 17390 1 336 . 1 . 1 28 28 ARG HB3 H 1 1.879 0.020 . 2 . . . . . 28 ARG HB3 . 17390 1 337 . 1 . 1 28 28 ARG HG2 H 1 1.873 0.020 . 2 . . . . . 28 ARG HG2 . 17390 1 338 . 1 . 1 28 28 ARG HG3 H 1 1.763 0.020 . 2 . . . . . 28 ARG HG3 . 17390 1 339 . 1 . 1 28 28 ARG HD2 H 1 3.262 0.020 . 2 . . . . . 28 ARG HD2 . 17390 1 340 . 1 . 1 28 28 ARG HD3 H 1 3.354 0.020 . 2 . . . . . 28 ARG HD3 . 17390 1 341 . 1 . 1 28 28 ARG CA C 13 56.699 0.400 . 1 . . . . . 28 ARG CA . 17390 1 342 . 1 . 1 28 28 ARG CB C 13 30.780 0.400 . 1 . . . . . 28 ARG CB . 17390 1 343 . 1 . 1 28 28 ARG CG C 13 27.378 0.400 . 1 . . . . . 28 ARG CG . 17390 1 344 . 1 . 1 28 28 ARG CD C 13 43.574 0.400 . 1 . . . . . 28 ARG CD . 17390 1 345 . 1 . 1 28 28 ARG N N 15 125.389 0.400 . 1 . . . . . 28 ARG N . 17390 1 346 . 1 . 1 29 29 VAL H H 1 8.183 0.020 . 1 . . . . . 29 VAL H . 17390 1 347 . 1 . 1 29 29 VAL HA H 1 4.848 0.020 . 1 . . . . . 29 VAL HA . 17390 1 348 . 1 . 1 29 29 VAL HB H 1 1.804 0.020 . 1 . . . . . 29 VAL HB . 17390 1 349 . 1 . 1 29 29 VAL HG11 H 1 0.735 0.020 . 2 . . . . . 29 VAL HG1 . 17390 1 350 . 1 . 1 29 29 VAL HG12 H 1 0.735 0.020 . 2 . . . . . 29 VAL HG1 . 17390 1 351 . 1 . 1 29 29 VAL HG13 H 1 0.735 0.020 . 2 . . . . . 29 VAL HG1 . 17390 1 352 . 1 . 1 29 29 VAL HG21 H 1 0.866 0.020 . 2 . . . . . 29 VAL HG2 . 17390 1 353 . 1 . 1 29 29 VAL HG22 H 1 0.866 0.020 . 2 . . . . . 29 VAL HG2 . 17390 1 354 . 1 . 1 29 29 VAL HG23 H 1 0.866 0.020 . 2 . . . . . 29 VAL HG2 . 17390 1 355 . 1 . 1 29 29 VAL CA C 13 59.953 0.400 . 1 . . . . . 29 VAL CA . 17390 1 356 . 1 . 1 29 29 VAL CB C 13 35.019 0.400 . 1 . . . . . 29 VAL CB . 17390 1 357 . 1 . 1 29 29 VAL CG1 C 13 21.594 0.400 . 1 . . . . . 29 VAL CG1 . 17390 1 358 . 1 . 1 29 29 VAL CG2 C 13 22.035 0.400 . 1 . . . . . 29 VAL CG2 . 17390 1 359 . 1 . 1 29 29 VAL N N 15 119.435 0.400 . 1 . . . . . 29 VAL N . 17390 1 360 . 1 . 1 30 30 VAL H H 1 8.541 0.020 . 1 . . . . . 30 VAL H . 17390 1 361 . 1 . 1 30 30 VAL HA H 1 4.905 0.020 . 1 . . . . . 30 VAL HA . 17390 1 362 . 1 . 1 30 30 VAL HB H 1 1.737 0.020 . 1 . . . . . 30 VAL HB . 17390 1 363 . 1 . 1 30 30 VAL HG11 H 1 0.783 0.020 . 2 . . . . . 30 VAL HG1 . 17390 1 364 . 1 . 1 30 30 VAL HG12 H 1 0.783 0.020 . 2 . . . . . 30 VAL HG1 . 17390 1 365 . 1 . 1 30 30 VAL HG13 H 1 0.783 0.020 . 2 . . . . . 30 VAL HG1 . 17390 1 366 . 1 . 1 30 30 VAL HG21 H 1 0.738 0.020 . 2 . . . . . 30 VAL HG2 . 17390 1 367 . 1 . 1 30 30 VAL HG22 H 1 0.738 0.020 . 2 . . . . . 30 VAL HG2 . 17390 1 368 . 1 . 1 30 30 VAL HG23 H 1 0.738 0.020 . 2 . . . . . 30 VAL HG2 . 17390 1 369 . 1 . 1 30 30 VAL CA C 13 59.533 0.400 . 1 . . . . . 30 VAL CA . 17390 1 370 . 1 . 1 30 30 VAL CB C 13 33.842 0.400 . 1 . . . . . 30 VAL CB . 17390 1 371 . 1 . 1 30 30 VAL CG1 C 13 20.637 0.400 . 1 . . . . . 30 VAL CG1 . 17390 1 372 . 1 . 1 30 30 VAL CG2 C 13 21.648 0.400 . 1 . . . . . 30 VAL CG2 . 17390 1 373 . 1 . 1 30 30 VAL N N 15 127.836 0.400 . 1 . . . . . 30 VAL N . 17390 1 374 . 1 . 1 31 31 LEU H H 1 8.950 0.020 . 1 . . . . . 31 LEU H . 17390 1 375 . 1 . 1 31 31 LEU HA H 1 5.033 0.020 . 1 . . . . . 31 LEU HA . 17390 1 376 . 1 . 1 31 31 LEU HB2 H 1 0.722 0.020 . 2 . . . . . 31 LEU HB2 . 17390 1 377 . 1 . 1 31 31 LEU HB3 H 1 1.544 0.020 . 2 . . . . . 31 LEU HB3 . 17390 1 378 . 1 . 1 31 31 LEU HG H 1 1.217 0.020 . 1 . . . . . 31 LEU HG . 17390 1 379 . 1 . 1 31 31 LEU HD11 H 1 0.185 0.020 . 2 . . . . . 31 LEU HD1 . 17390 1 380 . 1 . 1 31 31 LEU HD12 H 1 0.185 0.020 . 2 . . . . . 31 LEU HD1 . 17390 1 381 . 1 . 1 31 31 LEU HD13 H 1 0.185 0.020 . 2 . . . . . 31 LEU HD1 . 17390 1 382 . 1 . 1 31 31 LEU HD21 H 1 0.369 0.020 . 2 . . . . . 31 LEU HD2 . 17390 1 383 . 1 . 1 31 31 LEU HD22 H 1 0.369 0.020 . 2 . . . . . 31 LEU HD2 . 17390 1 384 . 1 . 1 31 31 LEU HD23 H 1 0.369 0.020 . 2 . . . . . 31 LEU HD2 . 17390 1 385 . 1 . 1 31 31 LEU CA C 13 52.561 0.400 . 1 . . . . . 31 LEU CA . 17390 1 386 . 1 . 1 31 31 LEU CB C 13 45.833 0.400 . 1 . . . . . 31 LEU CB . 17390 1 387 . 1 . 1 31 31 LEU CG C 13 27.508 0.400 . 1 . . . . . 31 LEU CG . 17390 1 388 . 1 . 1 31 31 LEU CD1 C 13 26.262 0.400 . 1 . . . . . 31 LEU CD1 . 17390 1 389 . 1 . 1 31 31 LEU CD2 C 13 24.945 0.400 . 1 . . . . . 31 LEU CD2 . 17390 1 390 . 1 . 1 31 31 LEU N N 15 129.809 0.400 . 1 . . . . . 31 LEU N . 17390 1 391 . 1 . 1 32 32 LEU H H 1 9.377 0.020 . 1 . . . . . 32 LEU H . 17390 1 392 . 1 . 1 32 32 LEU HA H 1 4.911 0.020 . 1 . . . . . 32 LEU HA . 17390 1 393 . 1 . 1 32 32 LEU HB2 H 1 1.371 0.020 . 2 . . . . . 32 LEU HB2 . 17390 1 394 . 1 . 1 32 32 LEU HB3 H 1 2.223 0.020 . 2 . . . . . 32 LEU HB3 . 17390 1 395 . 1 . 1 32 32 LEU HG H 1 1.594 0.020 . 1 . . . . . 32 LEU HG . 17390 1 396 . 1 . 1 32 32 LEU HD11 H 1 0.867 0.020 . 2 . . . . . 32 LEU HD1 . 17390 1 397 . 1 . 1 32 32 LEU HD12 H 1 0.867 0.020 . 2 . . . . . 32 LEU HD1 . 17390 1 398 . 1 . 1 32 32 LEU HD13 H 1 0.867 0.020 . 2 . . . . . 32 LEU HD1 . 17390 1 399 . 1 . 1 32 32 LEU HD21 H 1 0.779 0.020 . 2 . . . . . 32 LEU HD2 . 17390 1 400 . 1 . 1 32 32 LEU HD22 H 1 0.779 0.020 . 2 . . . . . 32 LEU HD2 . 17390 1 401 . 1 . 1 32 32 LEU HD23 H 1 0.779 0.020 . 2 . . . . . 32 LEU HD2 . 17390 1 402 . 1 . 1 32 32 LEU CA C 13 53.580 0.400 . 1 . . . . . 32 LEU CA . 17390 1 403 . 1 . 1 32 32 LEU CB C 13 40.180 0.400 . 1 . . . . . 32 LEU CB . 17390 1 404 . 1 . 1 32 32 LEU CG C 13 27.026 0.400 . 1 . . . . . 32 LEU CG . 17390 1 405 . 1 . 1 32 32 LEU CD1 C 13 25.963 0.400 . 1 . . . . . 32 LEU CD1 . 17390 1 406 . 1 . 1 32 32 LEU CD2 C 13 25.311 0.400 . 1 . . . . . 32 LEU CD2 . 17390 1 407 . 1 . 1 32 32 LEU N N 15 128.137 0.400 . 1 . . . . . 32 LEU N . 17390 1 408 . 1 . 1 33 33 TYR H H 1 8.891 0.020 . 1 . . . . . 33 TYR H . 17390 1 409 . 1 . 1 33 33 TYR HA H 1 4.744 0.020 . 1 . . . . . 33 TYR HA . 17390 1 410 . 1 . 1 33 33 TYR HB2 H 1 3.151 0.020 . 2 . . . . . 33 TYR HB2 . 17390 1 411 . 1 . 1 33 33 TYR HB3 H 1 2.504 0.020 . 2 . . . . . 33 TYR HB3 . 17390 1 412 . 1 . 1 33 33 TYR HD1 H 1 6.975 0.020 . 1 . . . . . 33 TYR HD1 . 17390 1 413 . 1 . 1 33 33 TYR HD2 H 1 6.975 0.020 . 1 . . . . . 33 TYR HD2 . 17390 1 414 . 1 . 1 33 33 TYR HE1 H 1 6.950 0.020 . 1 . . . . . 33 TYR HE1 . 17390 1 415 . 1 . 1 33 33 TYR HE2 H 1 6.950 0.020 . 1 . . . . . 33 TYR HE2 . 17390 1 416 . 1 . 1 33 33 TYR CA C 13 56.506 0.400 . 1 . . . . . 33 TYR CA . 17390 1 417 . 1 . 1 33 33 TYR CB C 13 39.753 0.400 . 1 . . . . . 33 TYR CB . 17390 1 418 . 1 . 1 33 33 TYR CD1 C 13 131.242 0.400 . 1 . . . . . 33 TYR CD1 . 17390 1 419 . 1 . 1 33 33 TYR CD2 C 13 131.461 0.400 . 1 . . . . . 33 TYR CD2 . 17390 1 420 . 1 . 1 33 33 TYR CE1 C 13 119.439 0.400 . 1 . . . . . 33 TYR CE1 . 17390 1 421 . 1 . 1 33 33 TYR CE2 C 13 119.427 0.400 . 1 . . . . . 33 TYR CE2 . 17390 1 422 . 1 . 1 33 33 TYR N N 15 125.672 0.400 . 1 . . . . . 33 TYR N . 17390 1 423 . 1 . 1 34 34 SER H H 1 8.081 0.020 . 1 . . . . . 34 SER H . 17390 1 424 . 1 . 1 34 34 SER HA H 1 4.804 0.020 . 1 . . . . . 34 SER HA . 17390 1 425 . 1 . 1 34 34 SER HB2 H 1 3.499 0.020 . 2 . . . . . 34 SER HB2 . 17390 1 426 . 1 . 1 34 34 SER HB3 H 1 3.253 0.020 . 2 . . . . . 34 SER HB3 . 17390 1 427 . 1 . 1 34 34 SER HG H 1 5.080 0.020 . 1 . . . . . 34 SER HG . 17390 1 428 . 1 . 1 34 34 SER CA C 13 55.962 0.400 . 1 . . . . . 34 SER CA . 17390 1 429 . 1 . 1 34 34 SER CB C 13 64.174 0.400 . 1 . . . . . 34 SER CB . 17390 1 430 . 1 . 1 34 34 SER N N 15 123.365 0.400 . 1 . . . . . 34 SER N . 17390 1 431 . 1 . 1 35 35 ASP H H 1 7.918 0.020 . 1 . . . . . 35 ASP H . 17390 1 432 . 1 . 1 35 35 ASP HA H 1 4.468 0.020 . 1 . . . . . 35 ASP HA . 17390 1 433 . 1 . 1 35 35 ASP HB2 H 1 2.438 0.020 . 2 . . . . . 35 ASP HB2 . 17390 1 434 . 1 . 1 35 35 ASP HB3 H 1 2.305 0.020 . 2 . . . . . 35 ASP HB3 . 17390 1 435 . 1 . 1 35 35 ASP CA C 13 54.138 0.400 . 1 . . . . . 35 ASP CA . 17390 1 436 . 1 . 1 35 35 ASP CB C 13 43.104 0.400 . 1 . . . . . 35 ASP CB . 17390 1 437 . 1 . 1 35 35 ASP N N 15 125.428 0.400 . 1 . . . . . 35 ASP N . 17390 1 438 . 1 . 1 36 36 GLN H H 1 8.602 0.020 . 1 . . . . . 36 GLN H . 17390 1 439 . 1 . 1 36 36 GLN HA H 1 4.232 0.020 . 1 . . . . . 36 GLN HA . 17390 1 440 . 1 . 1 36 36 GLN HB2 H 1 2.286 0.020 . 2 . . . . . 36 GLN HB2 . 17390 1 441 . 1 . 1 36 36 GLN HB3 H 1 1.987 0.020 . 2 . . . . . 36 GLN HB3 . 17390 1 442 . 1 . 1 36 36 GLN HG2 H 1 2.436 0.020 . 2 . . . . . 36 GLN HG2 . 17390 1 443 . 1 . 1 36 36 GLN HG3 H 1 2.437 0.020 . 2 . . . . . 36 GLN HG3 . 17390 1 444 . 1 . 1 36 36 GLN HE21 H 1 7.556 0.020 . 2 . . . . . 36 GLN HE21 . 17390 1 445 . 1 . 1 36 36 GLN HE22 H 1 6.846 0.020 . 2 . . . . . 36 GLN HE22 . 17390 1 446 . 1 . 1 36 36 GLN CA C 13 56.602 0.400 . 1 . . . . . 36 GLN CA . 17390 1 447 . 1 . 1 36 36 GLN CB C 13 28.764 0.400 . 1 . . . . . 36 GLN CB . 17390 1 448 . 1 . 1 36 36 GLN CG C 13 33.685 0.400 . 1 . . . . . 36 GLN CG . 17390 1 449 . 1 . 1 36 36 GLN N N 15 124.024 0.400 . 1 . . . . . 36 GLN N . 17390 1 450 . 1 . 1 36 36 GLN NE2 N 15 112.724 0.400 . 1 . . . . . 36 GLN NE2 . 17390 1 451 . 1 . 1 37 37 ASP H H 1 8.385 0.020 . 1 . . . . . 37 ASP H . 17390 1 452 . 1 . 1 37 37 ASP HA H 1 4.621 0.020 . 1 . . . . . 37 ASP HA . 17390 1 453 . 1 . 1 37 37 ASP HB2 H 1 3.091 0.020 . 2 . . . . . 37 ASP HB2 . 17390 1 454 . 1 . 1 37 37 ASP HB3 H 1 2.501 0.020 . 2 . . . . . 37 ASP HB3 . 17390 1 455 . 1 . 1 37 37 ASP CA C 13 53.249 0.400 . 1 . . . . . 37 ASP CA . 17390 1 456 . 1 . 1 37 37 ASP CB C 13 41.025 0.400 . 1 . . . . . 37 ASP CB . 17390 1 457 . 1 . 1 37 37 ASP N N 15 121.797 0.400 . 1 . . . . . 37 ASP N . 17390 1 458 . 1 . 1 38 38 GLU H H 1 8.502 0.020 . 1 . . . . . 38 GLU H . 17390 1 459 . 1 . 1 38 38 GLU HA H 1 3.890 0.020 . 1 . . . . . 38 GLU HA . 17390 1 460 . 1 . 1 38 38 GLU HB2 H 1 2.089 0.020 . 2 . . . . . 38 GLU HB2 . 17390 1 461 . 1 . 1 38 38 GLU HB3 H 1 2.089 0.020 . 2 . . . . . 38 GLU HB3 . 17390 1 462 . 1 . 1 38 38 GLU HG2 H 1 2.360 0.020 . 2 . . . . . 38 GLU HG2 . 17390 1 463 . 1 . 1 38 38 GLU HG3 H 1 2.286 0.020 . 2 . . . . . 38 GLU HG3 . 17390 1 464 . 1 . 1 38 38 GLU CA C 13 59.153 0.400 . 1 . . . . . 38 GLU CA . 17390 1 465 . 1 . 1 38 38 GLU CB C 13 29.654 0.400 . 1 . . . . . 38 GLU CB . 17390 1 466 . 1 . 1 38 38 GLU CG C 13 35.822 0.400 . 1 . . . . . 38 GLU CG . 17390 1 467 . 1 . 1 38 38 GLU N N 15 125.875 0.400 . 1 . . . . . 38 GLU N . 17390 1 468 . 1 . 1 39 39 LYS H H 1 8.112 0.020 . 1 . . . . . 39 LYS H . 17390 1 469 . 1 . 1 39 39 LYS HA H 1 4.069 0.020 . 1 . . . . . 39 LYS HA . 17390 1 470 . 1 . 1 39 39 LYS HB2 H 1 1.905 0.020 . 2 . . . . . 39 LYS HB2 . 17390 1 471 . 1 . 1 39 39 LYS HB3 H 1 1.906 0.020 . 2 . . . . . 39 LYS HB3 . 17390 1 472 . 1 . 1 39 39 LYS HG2 H 1 1.522 0.020 . 2 . . . . . 39 LYS HG2 . 17390 1 473 . 1 . 1 39 39 LYS HG3 H 1 1.404 0.020 . 2 . . . . . 39 LYS HG3 . 17390 1 474 . 1 . 1 39 39 LYS HD2 H 1 1.709 0.020 . 2 . . . . . 39 LYS HD2 . 17390 1 475 . 1 . 1 39 39 LYS HD3 H 1 1.709 0.020 . 2 . . . . . 39 LYS HD3 . 17390 1 476 . 1 . 1 39 39 LYS HE2 H 1 3.019 0.020 . 2 . . . . . 39 LYS HE2 . 17390 1 477 . 1 . 1 39 39 LYS HE3 H 1 3.017 0.020 . 2 . . . . . 39 LYS HE3 . 17390 1 478 . 1 . 1 39 39 LYS CA C 13 58.917 0.400 . 1 . . . . . 39 LYS CA . 17390 1 479 . 1 . 1 39 39 LYS CB C 13 31.992 0.400 . 1 . . . . . 39 LYS CB . 17390 1 480 . 1 . 1 39 39 LYS CG C 13 25.009 0.400 . 1 . . . . . 39 LYS CG . 17390 1 481 . 1 . 1 39 39 LYS CD C 13 28.889 0.400 . 1 . . . . . 39 LYS CD . 17390 1 482 . 1 . 1 39 39 LYS CE C 13 41.853 0.400 . 1 . . . . . 39 LYS CE . 17390 1 483 . 1 . 1 39 39 LYS N N 15 120.000 0.400 . 1 . . . . . 39 LYS N . 17390 1 484 . 1 . 1 40 40 ARG H H 1 7.976 0.020 . 1 . . . . . 40 ARG H . 17390 1 485 . 1 . 1 40 40 ARG HA H 1 4.168 0.020 . 1 . . . . . 40 ARG HA . 17390 1 486 . 1 . 1 40 40 ARG HB2 H 1 2.018 0.020 . 2 . . . . . 40 ARG HB2 . 17390 1 487 . 1 . 1 40 40 ARG HB3 H 1 1.680 0.020 . 2 . . . . . 40 ARG HB3 . 17390 1 488 . 1 . 1 40 40 ARG HG2 H 1 1.582 0.020 . 2 . . . . . 40 ARG HG2 . 17390 1 489 . 1 . 1 40 40 ARG HG3 H 1 1.707 0.020 . 2 . . . . . 40 ARG HG3 . 17390 1 490 . 1 . 1 40 40 ARG HD2 H 1 3.095 0.020 . 2 . . . . . 40 ARG HD2 . 17390 1 491 . 1 . 1 40 40 ARG HD3 H 1 3.207 0.020 . 2 . . . . . 40 ARG HD3 . 17390 1 492 . 1 . 1 40 40 ARG CA C 13 58.227 0.400 . 1 . . . . . 40 ARG CA . 17390 1 493 . 1 . 1 40 40 ARG CB C 13 30.540 0.400 . 1 . . . . . 40 ARG CB . 17390 1 494 . 1 . 1 40 40 ARG CG C 13 26.782 0.400 . 1 . . . . . 40 ARG CG . 17390 1 495 . 1 . 1 40 40 ARG CD C 13 43.478 0.400 . 1 . . . . . 40 ARG CD . 17390 1 496 . 1 . 1 40 40 ARG N N 15 120.726 0.400 . 1 . . . . . 40 ARG N . 17390 1 497 . 1 . 1 41 41 ARG H H 1 8.342 0.020 . 1 . . . . . 41 ARG H . 17390 1 498 . 1 . 1 41 41 ARG HA H 1 4.181 0.020 . 1 . . . . . 41 ARG HA . 17390 1 499 . 1 . 1 41 41 ARG HB2 H 1 1.866 0.020 . 2 . . . . . 41 ARG HB2 . 17390 1 500 . 1 . 1 41 41 ARG HB3 H 1 1.866 0.020 . 2 . . . . . 41 ARG HB3 . 17390 1 501 . 1 . 1 41 41 ARG HG2 H 1 1.360 0.020 . 2 . . . . . 41 ARG HG2 . 17390 1 502 . 1 . 1 41 41 ARG HG3 H 1 1.478 0.020 . 2 . . . . . 41 ARG HG3 . 17390 1 503 . 1 . 1 41 41 ARG HD2 H 1 3.129 0.020 . 2 . . . . . 41 ARG HD2 . 17390 1 504 . 1 . 1 41 41 ARG HD3 H 1 3.244 0.020 . 2 . . . . . 41 ARG HD3 . 17390 1 505 . 1 . 1 41 41 ARG HE H 1 7.259 0.020 . 1 . . . . . 41 ARG HE . 17390 1 506 . 1 . 1 41 41 ARG CA C 13 58.838 0.400 . 1 . . . . . 41 ARG CA . 17390 1 507 . 1 . 1 41 41 ARG CB C 13 30.508 0.400 . 1 . . . . . 41 ARG CB . 17390 1 508 . 1 . 1 41 41 ARG CG C 13 26.637 0.400 . 1 . . . . . 41 ARG CG . 17390 1 509 . 1 . 1 41 41 ARG CD C 13 43.526 0.400 . 1 . . . . . 41 ARG CD . 17390 1 510 . 1 . 1 41 41 ARG N N 15 118.810 0.400 . 1 . . . . . 41 ARG N . 17390 1 511 . 1 . 1 41 41 ARG NE N 15 83.561 0.400 . 1 . . . . . 41 ARG NE . 17390 1 512 . 1 . 1 42 42 ARG H H 1 7.942 0.020 . 1 . . . . . 42 ARG H . 17390 1 513 . 1 . 1 42 42 ARG HA H 1 3.993 0.020 . 1 . . . . . 42 ARG HA . 17390 1 514 . 1 . 1 42 42 ARG HB2 H 1 1.962 0.020 . 2 . . . . . 42 ARG HB2 . 17390 1 515 . 1 . 1 42 42 ARG HB3 H 1 1.924 0.020 . 2 . . . . . 42 ARG HB3 . 17390 1 516 . 1 . 1 42 42 ARG HG2 H 1 1.714 0.020 . 2 . . . . . 42 ARG HG2 . 17390 1 517 . 1 . 1 42 42 ARG HG3 H 1 1.799 0.020 . 2 . . . . . 42 ARG HG3 . 17390 1 518 . 1 . 1 42 42 ARG HD2 H 1 3.239 0.020 . 2 . . . . . 42 ARG HD2 . 17390 1 519 . 1 . 1 42 42 ARG HD3 H 1 3.239 0.020 . 2 . . . . . 42 ARG HD3 . 17390 1 520 . 1 . 1 42 42 ARG CA C 13 59.194 0.400 . 1 . . . . . 42 ARG CA . 17390 1 521 . 1 . 1 42 42 ARG CB C 13 29.466 0.400 . 1 . . . . . 42 ARG CB . 17390 1 522 . 1 . 1 42 42 ARG CG C 13 26.969 0.400 . 1 . . . . . 42 ARG CG . 17390 1 523 . 1 . 1 42 42 ARG CD C 13 42.695 0.400 . 1 . . . . . 42 ARG CD . 17390 1 524 . 1 . 1 42 42 ARG N N 15 117.214 0.400 . 1 . . . . . 42 ARG N . 17390 1 525 . 1 . 1 43 43 GLU H H 1 7.903 0.020 . 1 . . . . . 43 GLU H . 17390 1 526 . 1 . 1 43 43 GLU HA H 1 4.072 0.020 . 1 . . . . . 43 GLU HA . 17390 1 527 . 1 . 1 43 43 GLU HB2 H 1 2.025 0.020 . 2 . . . . . 43 GLU HB2 . 17390 1 528 . 1 . 1 43 43 GLU HB3 H 1 2.116 0.020 . 2 . . . . . 43 GLU HB3 . 17390 1 529 . 1 . 1 43 43 GLU HG2 H 1 2.245 0.020 . 2 . . . . . 43 GLU HG2 . 17390 1 530 . 1 . 1 43 43 GLU HG3 H 1 2.395 0.020 . 2 . . . . . 43 GLU HG3 . 17390 1 531 . 1 . 1 43 43 GLU CA C 13 58.934 0.400 . 1 . . . . . 43 GLU CA . 17390 1 532 . 1 . 1 43 43 GLU CB C 13 29.227 0.400 . 1 . . . . . 43 GLU CB . 17390 1 533 . 1 . 1 43 43 GLU CG C 13 36.164 0.400 . 1 . . . . . 43 GLU CG . 17390 1 534 . 1 . 1 43 43 GLU N N 15 118.693 0.400 . 1 . . . . . 43 GLU N . 17390 1 535 . 1 . 1 44 44 ARG H H 1 8.433 0.020 . 1 . . . . . 44 ARG H . 17390 1 536 . 1 . 1 44 44 ARG HA H 1 3.897 0.020 . 1 . . . . . 44 ARG HA . 17390 1 537 . 1 . 1 44 44 ARG HB2 H 1 2.076 0.020 . 2 . . . . . 44 ARG HB2 . 17390 1 538 . 1 . 1 44 44 ARG HB3 H 1 1.498 0.020 . 2 . . . . . 44 ARG HB3 . 17390 1 539 . 1 . 1 44 44 ARG HG2 H 1 1.569 0.020 . 2 . . . . . 44 ARG HG2 . 17390 1 540 . 1 . 1 44 44 ARG HG3 H 1 1.858 0.020 . 2 . . . . . 44 ARG HG3 . 17390 1 541 . 1 . 1 44 44 ARG HD2 H 1 3.136 0.020 . 2 . . . . . 44 ARG HD2 . 17390 1 542 . 1 . 1 44 44 ARG HD3 H 1 3.094 0.020 . 2 . . . . . 44 ARG HD3 . 17390 1 543 . 1 . 1 44 44 ARG CA C 13 58.450 0.400 . 1 . . . . . 44 ARG CA . 17390 1 544 . 1 . 1 44 44 ARG CB C 13 29.445 0.400 . 1 . . . . . 44 ARG CB . 17390 1 545 . 1 . 1 44 44 ARG CG C 13 28.017 0.400 . 1 . . . . . 44 ARG CG . 17390 1 546 . 1 . 1 44 44 ARG CD C 13 43.422 0.400 . 1 . . . . . 44 ARG CD . 17390 1 547 . 1 . 1 44 44 ARG N N 15 118.994 0.400 . 1 . . . . . 44 ARG N . 17390 1 548 . 1 . 1 45 45 LEU H H 1 8.484 0.020 . 1 . . . . . 45 LEU H . 17390 1 549 . 1 . 1 45 45 LEU HA H 1 3.994 0.020 . 1 . . . . . 45 LEU HA . 17390 1 550 . 1 . 1 45 45 LEU HB2 H 1 1.857 0.020 . 2 . . . . . 45 LEU HB2 . 17390 1 551 . 1 . 1 45 45 LEU HB3 H 1 1.727 0.020 . 2 . . . . . 45 LEU HB3 . 17390 1 552 . 1 . 1 45 45 LEU HG H 1 1.725 0.020 . 1 . . . . . 45 LEU HG . 17390 1 553 . 1 . 1 45 45 LEU HD11 H 1 0.846 0.020 . 2 . . . . . 45 LEU HD1 . 17390 1 554 . 1 . 1 45 45 LEU HD12 H 1 0.846 0.020 . 2 . . . . . 45 LEU HD1 . 17390 1 555 . 1 . 1 45 45 LEU HD13 H 1 0.846 0.020 . 2 . . . . . 45 LEU HD1 . 17390 1 556 . 1 . 1 45 45 LEU HD21 H 1 0.758 0.020 . 2 . . . . . 45 LEU HD2 . 17390 1 557 . 1 . 1 45 45 LEU HD22 H 1 0.758 0.020 . 2 . . . . . 45 LEU HD2 . 17390 1 558 . 1 . 1 45 45 LEU HD23 H 1 0.758 0.020 . 2 . . . . . 45 LEU HD2 . 17390 1 559 . 1 . 1 45 45 LEU CA C 13 59.036 0.400 . 1 . . . . . 45 LEU CA . 17390 1 560 . 1 . 1 45 45 LEU CB C 13 41.533 0.400 . 1 . . . . . 45 LEU CB . 17390 1 561 . 1 . 1 45 45 LEU CG C 13 26.904 0.400 . 1 . . . . . 45 LEU CG . 17390 1 562 . 1 . 1 45 45 LEU CD1 C 13 25.368 0.400 . 1 . . . . . 45 LEU CD1 . 17390 1 563 . 1 . 1 45 45 LEU CD2 C 13 24.007 0.400 . 1 . . . . . 45 LEU CD2 . 17390 1 564 . 1 . 1 45 45 LEU N N 15 119.684 0.400 . 1 . . . . . 45 LEU N . 17390 1 565 . 1 . 1 46 46 GLU H H 1 7.643 0.020 . 1 . . . . . 46 GLU H . 17390 1 566 . 1 . 1 46 46 GLU HA H 1 4.092 0.020 . 1 . . . . . 46 GLU HA . 17390 1 567 . 1 . 1 46 46 GLU HB2 H 1 2.039 0.020 . 2 . . . . . 46 GLU HB2 . 17390 1 568 . 1 . 1 46 46 GLU HB3 H 1 2.117 0.020 . 2 . . . . . 46 GLU HB3 . 17390 1 569 . 1 . 1 46 46 GLU HG2 H 1 2.466 0.020 . 2 . . . . . 46 GLU HG2 . 17390 1 570 . 1 . 1 46 46 GLU HG3 H 1 2.254 0.020 . 2 . . . . . 46 GLU HG3 . 17390 1 571 . 1 . 1 46 46 GLU CA C 13 59.229 0.400 . 1 . . . . . 46 GLU CA . 17390 1 572 . 1 . 1 46 46 GLU CB C 13 29.307 0.400 . 1 . . . . . 46 GLU CB . 17390 1 573 . 1 . 1 46 46 GLU CG C 13 36.266 0.400 . 1 . . . . . 46 GLU CG . 17390 1 574 . 1 . 1 46 46 GLU N N 15 117.723 0.400 . 1 . . . . . 46 GLU N . 17390 1 575 . 1 . 1 47 47 GLU H H 1 7.496 0.020 . 1 . . . . . 47 GLU H . 17390 1 576 . 1 . 1 47 47 GLU HA H 1 3.953 0.020 . 1 . . . . . 47 GLU HA . 17390 1 577 . 1 . 1 47 47 GLU HB2 H 1 1.731 0.020 . 2 . . . . . 47 GLU HB2 . 17390 1 578 . 1 . 1 47 47 GLU HB3 H 1 1.933 0.020 . 2 . . . . . 47 GLU HB3 . 17390 1 579 . 1 . 1 47 47 GLU HG2 H 1 1.937 0.020 . 2 . . . . . 47 GLU HG2 . 17390 1 580 . 1 . 1 47 47 GLU HG3 H 1 2.174 0.020 . 2 . . . . . 47 GLU HG3 . 17390 1 581 . 1 . 1 47 47 GLU CA C 13 58.880 0.400 . 1 . . . . . 47 GLU CA . 17390 1 582 . 1 . 1 47 47 GLU CB C 13 29.162 0.400 . 1 . . . . . 47 GLU CB . 17390 1 583 . 1 . 1 47 47 GLU CG C 13 35.719 0.400 . 1 . . . . . 47 GLU CG . 17390 1 584 . 1 . 1 47 47 GLU N N 15 118.544 0.400 . 1 . . . . . 47 GLU N . 17390 1 585 . 1 . 1 48 48 PHE H H 1 8.241 0.020 . 1 . . . . . 48 PHE H . 17390 1 586 . 1 . 1 48 48 PHE HA H 1 4.514 0.020 . 1 . . . . . 48 PHE HA . 17390 1 587 . 1 . 1 48 48 PHE HB2 H 1 2.984 0.020 . 2 . . . . . 48 PHE HB2 . 17390 1 588 . 1 . 1 48 48 PHE HB3 H 1 2.821 0.020 . 2 . . . . . 48 PHE HB3 . 17390 1 589 . 1 . 1 48 48 PHE HD1 H 1 7.011 0.020 . 1 . . . . . 48 PHE HD1 . 17390 1 590 . 1 . 1 48 48 PHE HD2 H 1 7.011 0.020 . 1 . . . . . 48 PHE HD2 . 17390 1 591 . 1 . 1 48 48 PHE HE1 H 1 6.982 0.020 . 1 . . . . . 48 PHE HE1 . 17390 1 592 . 1 . 1 48 48 PHE HE2 H 1 6.982 0.020 . 1 . . . . . 48 PHE HE2 . 17390 1 593 . 1 . 1 48 48 PHE HZ H 1 6.915 0.020 . 1 . . . . . 48 PHE HZ . 17390 1 594 . 1 . 1 48 48 PHE CA C 13 59.543 0.400 . 1 . . . . . 48 PHE CA . 17390 1 595 . 1 . 1 48 48 PHE CB C 13 37.617 0.400 . 1 . . . . . 48 PHE CB . 17390 1 596 . 1 . 1 48 48 PHE CD1 C 13 130.834 0.400 . 1 . . . . . 48 PHE CD1 . 17390 1 597 . 1 . 1 48 48 PHE CD2 C 13 131.051 0.400 . 1 . . . . . 48 PHE CD2 . 17390 1 598 . 1 . 1 48 48 PHE CE1 C 13 130.488 0.400 . 1 . . . . . 48 PHE CE1 . 17390 1 599 . 1 . 1 48 48 PHE CE2 C 13 130.600 0.400 . 1 . . . . . 48 PHE CE2 . 17390 1 600 . 1 . 1 48 48 PHE CZ C 13 128.796 0.400 . 1 . . . . . 48 PHE CZ . 17390 1 601 . 1 . 1 48 48 PHE N N 15 116.945 0.400 . 1 . . . . . 48 PHE N . 17390 1 602 . 1 . 1 49 49 GLU H H 1 8.756 0.020 . 1 . . . . . 49 GLU H . 17390 1 603 . 1 . 1 49 49 GLU HA H 1 4.320 0.020 . 1 . . . . . 49 GLU HA . 17390 1 604 . 1 . 1 49 49 GLU HB2 H 1 2.165 0.020 . 2 . . . . . 49 GLU HB2 . 17390 1 605 . 1 . 1 49 49 GLU HB3 H 1 2.290 0.020 . 2 . . . . . 49 GLU HB3 . 17390 1 606 . 1 . 1 49 49 GLU HG2 H 1 2.313 0.020 . 2 . . . . . 49 GLU HG2 . 17390 1 607 . 1 . 1 49 49 GLU HG3 H 1 2.578 0.020 . 2 . . . . . 49 GLU HG3 . 17390 1 608 . 1 . 1 49 49 GLU CA C 13 59.935 0.400 . 1 . . . . . 49 GLU CA . 17390 1 609 . 1 . 1 49 49 GLU CB C 13 29.170 0.400 . 1 . . . . . 49 GLU CB . 17390 1 610 . 1 . 1 49 49 GLU CG C 13 36.813 0.400 . 1 . . . . . 49 GLU CG . 17390 1 611 . 1 . 1 49 49 GLU N N 15 121.762 0.400 . 1 . . . . . 49 GLU N . 17390 1 612 . 1 . 1 50 50 LYS H H 1 7.994 0.020 . 1 . . . . . 50 LYS H . 17390 1 613 . 1 . 1 50 50 LYS HA H 1 4.191 0.020 . 1 . . . . . 50 LYS HA . 17390 1 614 . 1 . 1 50 50 LYS HB2 H 1 1.996 0.020 . 2 . . . . . 50 LYS HB2 . 17390 1 615 . 1 . 1 50 50 LYS HB3 H 1 1.995 0.020 . 2 . . . . . 50 LYS HB3 . 17390 1 616 . 1 . 1 50 50 LYS HG2 H 1 1.701 0.020 . 2 . . . . . 50 LYS HG2 . 17390 1 617 . 1 . 1 50 50 LYS HG3 H 1 1.566 0.020 . 2 . . . . . 50 LYS HG3 . 17390 1 618 . 1 . 1 50 50 LYS HD2 H 1 1.710 0.020 . 2 . . . . . 50 LYS HD2 . 17390 1 619 . 1 . 1 50 50 LYS HD3 H 1 1.710 0.020 . 2 . . . . . 50 LYS HD3 . 17390 1 620 . 1 . 1 50 50 LYS HE2 H 1 2.979 0.020 . 2 . . . . . 50 LYS HE2 . 17390 1 621 . 1 . 1 50 50 LYS HE3 H 1 2.981 0.020 . 2 . . . . . 50 LYS HE3 . 17390 1 622 . 1 . 1 50 50 LYS CA C 13 58.538 0.400 . 1 . . . . . 50 LYS CA . 17390 1 623 . 1 . 1 50 50 LYS CB C 13 32.024 0.400 . 1 . . . . . 50 LYS CB . 17390 1 624 . 1 . 1 50 50 LYS CG C 13 25.249 0.400 . 1 . . . . . 50 LYS CG . 17390 1 625 . 1 . 1 50 50 LYS CD C 13 29.034 0.400 . 1 . . . . . 50 LYS CD . 17390 1 626 . 1 . 1 50 50 LYS CE C 13 41.893 0.400 . 1 . . . . . 50 LYS CE . 17390 1 627 . 1 . 1 50 50 LYS N N 15 119.575 0.400 . 1 . . . . . 50 LYS N . 17390 1 628 . 1 . 1 51 51 GLN H H 1 7.503 0.020 . 1 . . . . . 51 GLN H . 17390 1 629 . 1 . 1 51 51 GLN HA H 1 4.422 0.020 . 1 . . . . . 51 GLN HA . 17390 1 630 . 1 . 1 51 51 GLN HB2 H 1 2.372 0.020 . 2 . . . . . 51 GLN HB2 . 17390 1 631 . 1 . 1 51 51 GLN HB3 H 1 2.188 0.020 . 2 . . . . . 51 GLN HB3 . 17390 1 632 . 1 . 1 51 51 GLN HG2 H 1 2.451 0.020 . 2 . . . . . 51 GLN HG2 . 17390 1 633 . 1 . 1 51 51 GLN HG3 H 1 2.556 0.020 . 2 . . . . . 51 GLN HG3 . 17390 1 634 . 1 . 1 51 51 GLN HE21 H 1 7.202 0.020 . 2 . . . . . 51 GLN HE21 . 17390 1 635 . 1 . 1 51 51 GLN HE22 H 1 6.641 0.020 . 2 . . . . . 51 GLN HE22 . 17390 1 636 . 1 . 1 51 51 GLN CA C 13 55.356 0.400 . 1 . . . . . 51 GLN CA . 17390 1 637 . 1 . 1 51 51 GLN CB C 13 29.588 0.400 . 1 . . . . . 51 GLN CB . 17390 1 638 . 1 . 1 51 51 GLN CG C 13 34.118 0.400 . 1 . . . . . 51 GLN CG . 17390 1 639 . 1 . 1 51 51 GLN N N 15 115.925 0.400 . 1 . . . . . 51 GLN N . 17390 1 640 . 1 . 1 51 51 GLN NE2 N 15 109.475 0.400 . 1 . . . . . 51 GLN NE2 . 17390 1 641 . 1 . 1 52 52 GLY H H 1 8.035 0.020 . 1 . . . . . 52 GLY H . 17390 1 642 . 1 . 1 52 52 GLY HA2 H 1 3.900 0.020 . 2 . . . . . 52 GLY HA2 . 17390 1 643 . 1 . 1 52 52 GLY HA3 H 1 4.148 0.020 . 2 . . . . . 52 GLY HA3 . 17390 1 644 . 1 . 1 52 52 GLY CA C 13 45.926 0.400 . 1 . . . . . 52 GLY CA . 17390 1 645 . 1 . 1 52 52 GLY N N 15 107.201 0.400 . 1 . . . . . 52 GLY N . 17390 1 646 . 1 . 1 53 53 VAL H H 1 7.528 0.020 . 1 . . . . . 53 VAL H . 17390 1 647 . 1 . 1 53 53 VAL HA H 1 3.891 0.020 . 1 . . . . . 53 VAL HA . 17390 1 648 . 1 . 1 53 53 VAL HB H 1 1.802 0.020 . 1 . . . . . 53 VAL HB . 17390 1 649 . 1 . 1 53 53 VAL HG11 H 1 0.810 0.020 . 2 . . . . . 53 VAL HG1 . 17390 1 650 . 1 . 1 53 53 VAL HG12 H 1 0.810 0.020 . 2 . . . . . 53 VAL HG1 . 17390 1 651 . 1 . 1 53 53 VAL HG13 H 1 0.810 0.020 . 2 . . . . . 53 VAL HG1 . 17390 1 652 . 1 . 1 53 53 VAL HG21 H 1 0.600 0.020 . 2 . . . . . 53 VAL HG2 . 17390 1 653 . 1 . 1 53 53 VAL HG22 H 1 0.600 0.020 . 2 . . . . . 53 VAL HG2 . 17390 1 654 . 1 . 1 53 53 VAL HG23 H 1 0.600 0.020 . 2 . . . . . 53 VAL HG2 . 17390 1 655 . 1 . 1 53 53 VAL CA C 13 61.604 0.400 . 1 . . . . . 53 VAL CA . 17390 1 656 . 1 . 1 53 53 VAL CB C 13 32.576 0.400 . 1 . . . . . 53 VAL CB . 17390 1 657 . 1 . 1 53 53 VAL CG1 C 13 22.052 0.400 . 1 . . . . . 53 VAL CG1 . 17390 1 658 . 1 . 1 53 53 VAL CG2 C 13 22.139 0.400 . 1 . . . . . 53 VAL CG2 . 17390 1 659 . 1 . 1 53 53 VAL N N 15 120.313 0.400 . 1 . . . . . 53 VAL N . 17390 1 660 . 1 . 1 54 54 ASP H H 1 7.916 0.020 . 1 . . . . . 54 ASP H . 17390 1 661 . 1 . 1 54 54 ASP HA H 1 4.733 0.020 . 1 . . . . . 54 ASP HA . 17390 1 662 . 1 . 1 54 54 ASP HB2 H 1 3.227 0.020 . 2 . . . . . 54 ASP HB2 . 17390 1 663 . 1 . 1 54 54 ASP HB3 H 1 2.750 0.020 . 2 . . . . . 54 ASP HB3 . 17390 1 664 . 1 . 1 54 54 ASP CA C 13 52.878 0.400 . 1 . . . . . 54 ASP CA . 17390 1 665 . 1 . 1 54 54 ASP CB C 13 39.639 0.400 . 1 . . . . . 54 ASP CB . 17390 1 666 . 1 . 1 54 54 ASP N N 15 126.378 0.400 . 1 . . . . . 54 ASP N . 17390 1 667 . 1 . 1 55 55 VAL H H 1 8.067 0.020 . 1 . . . . . 55 VAL H . 17390 1 668 . 1 . 1 55 55 VAL HA H 1 4.921 0.020 . 1 . . . . . 55 VAL HA . 17390 1 669 . 1 . 1 55 55 VAL HB H 1 2.006 0.020 . 1 . . . . . 55 VAL HB . 17390 1 670 . 1 . 1 55 55 VAL HG11 H 1 0.986 0.020 . 2 . . . . . 55 VAL HG1 . 17390 1 671 . 1 . 1 55 55 VAL HG12 H 1 0.986 0.020 . 2 . . . . . 55 VAL HG1 . 17390 1 672 . 1 . 1 55 55 VAL HG13 H 1 0.986 0.020 . 2 . . . . . 55 VAL HG1 . 17390 1 673 . 1 . 1 55 55 VAL HG21 H 1 1.079 0.020 . 2 . . . . . 55 VAL HG2 . 17390 1 674 . 1 . 1 55 55 VAL HG22 H 1 1.079 0.020 . 2 . . . . . 55 VAL HG2 . 17390 1 675 . 1 . 1 55 55 VAL HG23 H 1 1.079 0.020 . 2 . . . . . 55 VAL HG2 . 17390 1 676 . 1 . 1 55 55 VAL CA C 13 60.013 0.400 . 1 . . . . . 55 VAL CA . 17390 1 677 . 1 . 1 55 55 VAL CB C 13 33.052 0.400 . 1 . . . . . 55 VAL CB . 17390 1 678 . 1 . 1 55 55 VAL CG1 C 13 22.495 0.400 . 1 . . . . . 55 VAL CG1 . 17390 1 679 . 1 . 1 55 55 VAL CG2 C 13 21.022 0.400 . 1 . . . . . 55 VAL CG2 . 17390 1 680 . 1 . 1 55 55 VAL N N 15 124.347 0.400 . 1 . . . . . 55 VAL N . 17390 1 681 . 1 . 1 56 56 ARG H H 1 9.060 0.020 . 1 . . . . . 56 ARG H . 17390 1 682 . 1 . 1 56 56 ARG HA H 1 4.890 0.020 . 1 . . . . . 56 ARG HA . 17390 1 683 . 1 . 1 56 56 ARG HB2 H 1 1.820 0.020 . 2 . . . . . 56 ARG HB2 . 17390 1 684 . 1 . 1 56 56 ARG HB3 H 1 1.498 0.020 . 2 . . . . . 56 ARG HB3 . 17390 1 685 . 1 . 1 56 56 ARG HG2 H 1 1.451 0.020 . 2 . . . . . 56 ARG HG2 . 17390 1 686 . 1 . 1 56 56 ARG HG3 H 1 1.592 0.020 . 2 . . . . . 56 ARG HG3 . 17390 1 687 . 1 . 1 56 56 ARG HD2 H 1 2.957 0.020 . 2 . . . . . 56 ARG HD2 . 17390 1 688 . 1 . 1 56 56 ARG HD3 H 1 3.014 0.020 . 2 . . . . . 56 ARG HD3 . 17390 1 689 . 1 . 1 56 56 ARG HE H 1 8.093 0.020 . 1 . . . . . 56 ARG HE . 17390 1 690 . 1 . 1 56 56 ARG CA C 13 53.105 0.400 . 1 . . . . . 56 ARG CA . 17390 1 691 . 1 . 1 56 56 ARG CB C 13 31.119 0.400 . 1 . . . . . 56 ARG CB . 17390 1 692 . 1 . 1 56 56 ARG CG C 13 26.449 0.400 . 1 . . . . . 56 ARG CG . 17390 1 693 . 1 . 1 56 56 ARG CD C 13 42.968 0.400 . 1 . . . . . 56 ARG CD . 17390 1 694 . 1 . 1 56 56 ARG N N 15 126.370 0.400 . 1 . . . . . 56 ARG N . 17390 1 695 . 1 . 1 56 56 ARG NE N 15 86.911 0.400 . 1 . . . . . 56 ARG NE . 17390 1 696 . 1 . 1 57 57 THR H H 1 8.635 0.020 . 1 . . . . . 57 THR H . 17390 1 697 . 1 . 1 57 57 THR HA H 1 4.873 0.020 . 1 . . . . . 57 THR HA . 17390 1 698 . 1 . 1 57 57 THR HB H 1 4.199 0.020 . 1 . . . . . 57 THR HB . 17390 1 699 . 1 . 1 57 57 THR HG21 H 1 1.225 0.020 . 1 . . . . . 57 THR HG2 . 17390 1 700 . 1 . 1 57 57 THR HG22 H 1 1.225 0.020 . 1 . . . . . 57 THR HG2 . 17390 1 701 . 1 . 1 57 57 THR HG23 H 1 1.225 0.020 . 1 . . . . . 57 THR HG2 . 17390 1 702 . 1 . 1 57 57 THR CA C 13 61.685 0.400 . 1 . . . . . 57 THR CA . 17390 1 703 . 1 . 1 57 57 THR CB C 13 68.564 0.400 . 1 . . . . . 57 THR CB . 17390 1 704 . 1 . 1 57 57 THR CG2 C 13 22.125 0.400 . 1 . . . . . 57 THR CG2 . 17390 1 705 . 1 . 1 57 57 THR N N 15 117.134 0.400 . 1 . . . . . 57 THR N . 17390 1 706 . 1 . 1 58 58 VAL H H 1 8.066 0.020 . 1 . . . . . 58 VAL H . 17390 1 707 . 1 . 1 58 58 VAL HA H 1 4.682 0.020 . 1 . . . . . 58 VAL HA . 17390 1 708 . 1 . 1 58 58 VAL HB H 1 1.955 0.020 . 1 . . . . . 58 VAL HB . 17390 1 709 . 1 . 1 58 58 VAL HG11 H 1 1.015 0.020 . 2 . . . . . 58 VAL HG1 . 17390 1 710 . 1 . 1 58 58 VAL HG12 H 1 1.015 0.020 . 2 . . . . . 58 VAL HG1 . 17390 1 711 . 1 . 1 58 58 VAL HG13 H 1 1.015 0.020 . 2 . . . . . 58 VAL HG1 . 17390 1 712 . 1 . 1 58 58 VAL HG21 H 1 0.977 0.020 . 2 . . . . . 58 VAL HG2 . 17390 1 713 . 1 . 1 58 58 VAL HG22 H 1 0.977 0.020 . 2 . . . . . 58 VAL HG2 . 17390 1 714 . 1 . 1 58 58 VAL HG23 H 1 0.977 0.020 . 2 . . . . . 58 VAL HG2 . 17390 1 715 . 1 . 1 58 58 VAL CA C 13 59.159 0.400 . 1 . . . . . 58 VAL CA . 17390 1 716 . 1 . 1 58 58 VAL CB C 13 34.465 0.400 . 1 . . . . . 58 VAL CB . 17390 1 717 . 1 . 1 58 58 VAL CG1 C 13 23.339 0.400 . 1 . . . . . 58 VAL CG1 . 17390 1 718 . 1 . 1 58 58 VAL CG2 C 13 20.407 0.400 . 1 . . . . . 58 VAL CG2 . 17390 1 719 . 1 . 1 58 58 VAL N N 15 120.466 0.400 . 1 . . . . . 58 VAL N . 17390 1 720 . 1 . 1 59 59 GLU H H 1 10.000 0.020 . 1 . . . . . 59 GLU H . 17390 1 721 . 1 . 1 59 59 GLU HA H 1 4.453 0.020 . 1 . . . . . 59 GLU HA . 17390 1 722 . 1 . 1 59 59 GLU HB2 H 1 2.137 0.020 . 2 . . . . . 59 GLU HB2 . 17390 1 723 . 1 . 1 59 59 GLU HB3 H 1 1.962 0.020 . 2 . . . . . 59 GLU HB3 . 17390 1 724 . 1 . 1 59 59 GLU HG2 H 1 2.309 0.020 . 2 . . . . . 59 GLU HG2 . 17390 1 725 . 1 . 1 59 59 GLU HG3 H 1 2.272 0.020 . 2 . . . . . 59 GLU HG3 . 17390 1 726 . 1 . 1 59 59 GLU CA C 13 57.416 0.400 . 1 . . . . . 59 GLU CA . 17390 1 727 . 1 . 1 59 59 GLU CB C 13 31.023 0.400 . 1 . . . . . 59 GLU CB . 17390 1 728 . 1 . 1 59 59 GLU CG C 13 35.792 0.400 . 1 . . . . . 59 GLU CG . 17390 1 729 . 1 . 1 59 59 GLU N N 15 125.409 0.400 . 1 . . . . . 59 GLU N . 17390 1 730 . 1 . 1 60 60 ASP H H 1 7.811 0.020 . 1 . . . . . 60 ASP H . 17390 1 731 . 1 . 1 60 60 ASP HA H 1 4.847 0.020 . 1 . . . . . 60 ASP HA . 17390 1 732 . 1 . 1 60 60 ASP HB2 H 1 3.067 0.020 . 2 . . . . . 60 ASP HB2 . 17390 1 733 . 1 . 1 60 60 ASP HB3 H 1 3.099 0.020 . 2 . . . . . 60 ASP HB3 . 17390 1 734 . 1 . 1 60 60 ASP CA C 13 52.429 0.400 . 1 . . . . . 60 ASP CA . 17390 1 735 . 1 . 1 60 60 ASP CB C 13 41.926 0.400 . 1 . . . . . 60 ASP CB . 17390 1 736 . 1 . 1 60 60 ASP N N 15 114.932 0.400 . 1 . . . . . 60 ASP N . 17390 1 737 . 1 . 1 61 61 LYS H H 1 8.522 0.020 . 1 . . . . . 61 LYS H . 17390 1 738 . 1 . 1 61 61 LYS HA H 1 2.974 0.020 . 1 . . . . . 61 LYS HA . 17390 1 739 . 1 . 1 61 61 LYS HB2 H 1 1.561 0.020 . 2 . . . . . 61 LYS HB2 . 17390 1 740 . 1 . 1 61 61 LYS HB3 H 1 1.626 0.020 . 2 . . . . . 61 LYS HB3 . 17390 1 741 . 1 . 1 61 61 LYS HG2 H 1 0.923 0.020 . 2 . . . . . 61 LYS HG2 . 17390 1 742 . 1 . 1 61 61 LYS HG3 H 1 0.800 0.020 . 2 . . . . . 61 LYS HG3 . 17390 1 743 . 1 . 1 61 61 LYS HD2 H 1 1.563 0.020 . 2 . . . . . 61 LYS HD2 . 17390 1 744 . 1 . 1 61 61 LYS HD3 H 1 1.397 0.020 . 2 . . . . . 61 LYS HD3 . 17390 1 745 . 1 . 1 61 61 LYS HE2 H 1 2.792 0.020 . 2 . . . . . 61 LYS HE2 . 17390 1 746 . 1 . 1 61 61 LYS HE3 H 1 2.792 0.020 . 2 . . . . . 61 LYS HE3 . 17390 1 747 . 1 . 1 61 61 LYS CA C 13 59.387 0.400 . 1 . . . . . 61 LYS CA . 17390 1 748 . 1 . 1 61 61 LYS CB C 13 31.985 0.400 . 1 . . . . . 61 LYS CB . 17390 1 749 . 1 . 1 61 61 LYS CG C 13 24.314 0.400 . 1 . . . . . 61 LYS CG . 17390 1 750 . 1 . 1 61 61 LYS CD C 13 28.671 0.400 . 1 . . . . . 61 LYS CD . 17390 1 751 . 1 . 1 61 61 LYS CE C 13 41.121 0.400 . 1 . . . . . 61 LYS CE . 17390 1 752 . 1 . 1 61 61 LYS N N 15 118.985 0.400 . 1 . . . . . 61 LYS N . 17390 1 753 . 1 . 1 62 62 GLU H H 1 8.135 0.020 . 1 . . . . . 62 GLU H . 17390 1 754 . 1 . 1 62 62 GLU HA H 1 4.029 0.020 . 1 . . . . . 62 GLU HA . 17390 1 755 . 1 . 1 62 62 GLU HB2 H 1 2.081 0.020 . 2 . . . . . 62 GLU HB2 . 17390 1 756 . 1 . 1 62 62 GLU HB3 H 1 2.043 0.020 . 2 . . . . . 62 GLU HB3 . 17390 1 757 . 1 . 1 62 62 GLU HG2 H 1 2.159 0.020 . 2 . . . . . 62 GLU HG2 . 17390 1 758 . 1 . 1 62 62 GLU HG3 H 1 2.283 0.020 . 2 . . . . . 62 GLU HG3 . 17390 1 759 . 1 . 1 62 62 GLU CA C 13 59.548 0.400 . 1 . . . . . 62 GLU CA . 17390 1 760 . 1 . 1 62 62 GLU CB C 13 28.368 0.400 . 1 . . . . . 62 GLU CB . 17390 1 761 . 1 . 1 62 62 GLU CG C 13 36.293 0.400 . 1 . . . . . 62 GLU CG . 17390 1 762 . 1 . 1 62 62 GLU N N 15 120.344 0.400 . 1 . . . . . 62 GLU N . 17390 1 763 . 1 . 1 63 63 ASP H H 1 8.485 0.020 . 1 . . . . . 63 ASP H . 17390 1 764 . 1 . 1 63 63 ASP HA H 1 4.521 0.020 . 1 . . . . . 63 ASP HA . 17390 1 765 . 1 . 1 63 63 ASP HB2 H 1 3.037 0.020 . 2 . . . . . 63 ASP HB2 . 17390 1 766 . 1 . 1 63 63 ASP HB3 H 1 2.798 0.020 . 2 . . . . . 63 ASP HB3 . 17390 1 767 . 1 . 1 63 63 ASP CA C 13 56.193 0.400 . 1 . . . . . 63 ASP CA . 17390 1 768 . 1 . 1 63 63 ASP CB C 13 41.646 0.400 . 1 . . . . . 63 ASP CB . 17390 1 769 . 1 . 1 63 63 ASP N N 15 121.068 0.400 . 1 . . . . . 63 ASP N . 17390 1 770 . 1 . 1 64 64 PHE H H 1 8.292 0.020 . 1 . . . . . 64 PHE H . 17390 1 771 . 1 . 1 64 64 PHE HA H 1 4.195 0.020 . 1 . . . . . 64 PHE HA . 17390 1 772 . 1 . 1 64 64 PHE HB2 H 1 2.988 0.020 . 2 . . . . . 64 PHE HB2 . 17390 1 773 . 1 . 1 64 64 PHE HB3 H 1 2.629 0.020 . 2 . . . . . 64 PHE HB3 . 17390 1 774 . 1 . 1 64 64 PHE HD1 H 1 6.996 0.020 . 1 . . . . . 64 PHE HD1 . 17390 1 775 . 1 . 1 64 64 PHE HD2 H 1 6.996 0.020 . 1 . . . . . 64 PHE HD2 . 17390 1 776 . 1 . 1 64 64 PHE HE1 H 1 7.695 0.020 . 1 . . . . . 64 PHE HE1 . 17390 1 777 . 1 . 1 64 64 PHE HE2 H 1 7.695 0.020 . 1 . . . . . 64 PHE HE2 . 17390 1 778 . 1 . 1 64 64 PHE HZ H 1 7.524 0.020 . 1 . . . . . 64 PHE HZ . 17390 1 779 . 1 . 1 64 64 PHE CA C 13 60.290 0.400 . 1 . . . . . 64 PHE CA . 17390 1 780 . 1 . 1 64 64 PHE CB C 13 38.198 0.400 . 1 . . . . . 64 PHE CB . 17390 1 781 . 1 . 1 64 64 PHE CD1 C 13 131.562 0.400 . 1 . . . . . 64 PHE CD1 . 17390 1 782 . 1 . 1 64 64 PHE CD2 C 13 131.570 0.400 . 1 . . . . . 64 PHE CD2 . 17390 1 783 . 1 . 1 64 64 PHE CE1 C 13 131.590 0.400 . 1 . . . . . 64 PHE CE1 . 17390 1 784 . 1 . 1 64 64 PHE CE2 C 13 131.953 0.400 . 1 . . . . . 64 PHE CE2 . 17390 1 785 . 1 . 1 64 64 PHE CZ C 13 128.534 0.400 . 1 . . . . . 64 PHE CZ . 17390 1 786 . 1 . 1 64 64 PHE N N 15 122.208 0.400 . 1 . . . . . 64 PHE N . 17390 1 787 . 1 . 1 65 65 ARG H H 1 8.019 0.020 . 1 . . . . . 65 ARG H . 17390 1 788 . 1 . 1 65 65 ARG HA H 1 3.435 0.020 . 1 . . . . . 65 ARG HA . 17390 1 789 . 1 . 1 65 65 ARG HB2 H 1 1.817 0.020 . 2 . . . . . 65 ARG HB2 . 17390 1 790 . 1 . 1 65 65 ARG HB3 H 1 1.880 0.020 . 2 . . . . . 65 ARG HB3 . 17390 1 791 . 1 . 1 65 65 ARG HG2 H 1 1.832 0.020 . 2 . . . . . 65 ARG HG2 . 17390 1 792 . 1 . 1 65 65 ARG HG3 H 1 1.313 0.020 . 2 . . . . . 65 ARG HG3 . 17390 1 793 . 1 . 1 65 65 ARG HD2 H 1 3.134 0.020 . 2 . . . . . 65 ARG HD2 . 17390 1 794 . 1 . 1 65 65 ARG HD3 H 1 3.137 0.020 . 2 . . . . . 65 ARG HD3 . 17390 1 795 . 1 . 1 65 65 ARG HE H 1 7.755 0.020 . 1 . . . . . 65 ARG HE . 17390 1 796 . 1 . 1 65 65 ARG CA C 13 60.015 0.400 . 1 . . . . . 65 ARG CA . 17390 1 797 . 1 . 1 65 65 ARG CB C 13 29.829 0.400 . 1 . . . . . 65 ARG CB . 17390 1 798 . 1 . 1 65 65 ARG CG C 13 28.235 0.400 . 1 . . . . . 65 ARG CG . 17390 1 799 . 1 . 1 65 65 ARG CD C 13 43.378 0.400 . 1 . . . . . 65 ARG CD . 17390 1 800 . 1 . 1 65 65 ARG N N 15 118.365 0.400 . 1 . . . . . 65 ARG N . 17390 1 801 . 1 . 1 65 65 ARG NE N 15 84.779 0.400 . 1 . . . . . 65 ARG NE . 17390 1 802 . 1 . 1 66 66 GLU H H 1 8.011 0.020 . 1 . . . . . 66 GLU H . 17390 1 803 . 1 . 1 66 66 GLU HA H 1 3.891 0.020 . 1 . . . . . 66 GLU HA . 17390 1 804 . 1 . 1 66 66 GLU HB2 H 1 2.165 0.020 . 2 . . . . . 66 GLU HB2 . 17390 1 805 . 1 . 1 66 66 GLU HB3 H 1 2.089 0.020 . 2 . . . . . 66 GLU HB3 . 17390 1 806 . 1 . 1 66 66 GLU HG2 H 1 2.387 0.020 . 2 . . . . . 66 GLU HG2 . 17390 1 807 . 1 . 1 66 66 GLU HG3 H 1 2.286 0.020 . 2 . . . . . 66 GLU HG3 . 17390 1 808 . 1 . 1 66 66 GLU CA C 13 59.098 0.400 . 1 . . . . . 66 GLU CA . 17390 1 809 . 1 . 1 66 66 GLU CB C 13 28.963 0.400 . 1 . . . . . 66 GLU CB . 17390 1 810 . 1 . 1 66 66 GLU CG C 13 35.000 0.400 . 1 . . . . . 66 GLU CG . 17390 1 811 . 1 . 1 66 66 GLU N N 15 117.313 0.400 . 1 . . . . . 66 GLU N . 17390 1 812 . 1 . 1 67 67 ASN H H 1 7.932 0.020 . 1 . . . . . 67 ASN H . 17390 1 813 . 1 . 1 67 67 ASN HA H 1 4.228 0.020 . 1 . . . . . 67 ASN HA . 17390 1 814 . 1 . 1 67 67 ASN HB2 H 1 2.148 0.020 . 2 . . . . . 67 ASN HB2 . 17390 1 815 . 1 . 1 67 67 ASN HB3 H 1 2.893 0.020 . 2 . . . . . 67 ASN HB3 . 17390 1 816 . 1 . 1 67 67 ASN HD21 H 1 7.420 0.020 . 2 . . . . . 67 ASN HD21 . 17390 1 817 . 1 . 1 67 67 ASN HD22 H 1 7.333 0.020 . 2 . . . . . 67 ASN HD22 . 17390 1 818 . 1 . 1 67 67 ASN CA C 13 57.383 0.400 . 1 . . . . . 67 ASN CA . 17390 1 819 . 1 . 1 67 67 ASN CB C 13 40.271 0.400 . 1 . . . . . 67 ASN CB . 17390 1 820 . 1 . 1 67 67 ASN N N 15 116.977 0.400 . 1 . . . . . 67 ASN N . 17390 1 821 . 1 . 1 67 67 ASN ND2 N 15 114.674 0.400 . 1 . . . . . 67 ASN ND2 . 17390 1 822 . 1 . 1 68 68 ILE H H 1 7.947 0.020 . 1 . . . . . 68 ILE H . 17390 1 823 . 1 . 1 68 68 ILE HA H 1 3.131 0.020 . 1 . . . . . 68 ILE HA . 17390 1 824 . 1 . 1 68 68 ILE HB H 1 1.476 0.020 . 1 . . . . . 68 ILE HB . 17390 1 825 . 1 . 1 68 68 ILE HG12 H 1 0.302 0.020 . 2 . . . . . 68 ILE HG12 . 17390 1 826 . 1 . 1 68 68 ILE HG13 H 1 0.982 0.020 . 2 . . . . . 68 ILE HG13 . 17390 1 827 . 1 . 1 68 68 ILE HG21 H 1 0.148 0.020 . 1 . . . . . 68 ILE HG2 . 17390 1 828 . 1 . 1 68 68 ILE HG22 H 1 0.148 0.020 . 1 . . . . . 68 ILE HG2 . 17390 1 829 . 1 . 1 68 68 ILE HG23 H 1 0.148 0.020 . 1 . . . . . 68 ILE HG2 . 17390 1 830 . 1 . 1 68 68 ILE HD11 H 1 -0.118 0.020 . 1 . . . . . 68 ILE HD1 . 17390 1 831 . 1 . 1 68 68 ILE HD12 H 1 -0.118 0.020 . 1 . . . . . 68 ILE HD1 . 17390 1 832 . 1 . 1 68 68 ILE HD13 H 1 -0.118 0.020 . 1 . . . . . 68 ILE HD1 . 17390 1 833 . 1 . 1 68 68 ILE CA C 13 64.618 0.400 . 1 . . . . . 68 ILE CA . 17390 1 834 . 1 . 1 68 68 ILE CB C 13 36.827 0.400 . 1 . . . . . 68 ILE CB . 17390 1 835 . 1 . 1 68 68 ILE CG1 C 13 27.092 0.400 . 1 . . . . . 68 ILE CG1 . 17390 1 836 . 1 . 1 68 68 ILE CG2 C 13 17.341 0.400 . 1 . . . . . 68 ILE CG2 . 17390 1 837 . 1 . 1 68 68 ILE CD1 C 13 12.874 0.400 . 1 . . . . . 68 ILE CD1 . 17390 1 838 . 1 . 1 68 68 ILE N N 15 119.920 0.400 . 1 . . . . . 68 ILE N . 17390 1 839 . 1 . 1 69 69 ARG H H 1 7.343 0.020 . 1 . . . . . 69 ARG H . 17390 1 840 . 1 . 1 69 69 ARG HA H 1 3.855 0.020 . 1 . . . . . 69 ARG HA . 17390 1 841 . 1 . 1 69 69 ARG HB2 H 1 1.905 0.020 . 2 . . . . . 69 ARG HB2 . 17390 1 842 . 1 . 1 69 69 ARG HB3 H 1 1.775 0.020 . 2 . . . . . 69 ARG HB3 . 17390 1 843 . 1 . 1 69 69 ARG HG2 H 1 1.774 0.020 . 2 . . . . . 69 ARG HG2 . 17390 1 844 . 1 . 1 69 69 ARG HG3 H 1 1.610 0.020 . 2 . . . . . 69 ARG HG3 . 17390 1 845 . 1 . 1 69 69 ARG HD2 H 1 3.204 0.020 . 2 . . . . . 69 ARG HD2 . 17390 1 846 . 1 . 1 69 69 ARG HD3 H 1 3.071 0.020 . 2 . . . . . 69 ARG HD3 . 17390 1 847 . 1 . 1 69 69 ARG HE H 1 7.636 0.020 . 1 . . . . . 69 ARG HE . 17390 1 848 . 1 . 1 69 69 ARG CA C 13 58.834 0.400 . 1 . . . . . 69 ARG CA . 17390 1 849 . 1 . 1 69 69 ARG CB C 13 29.356 0.400 . 1 . . . . . 69 ARG CB . 17390 1 850 . 1 . 1 69 69 ARG CG C 13 28.162 0.400 . 1 . . . . . 69 ARG CG . 17390 1 851 . 1 . 1 69 69 ARG CD C 13 43.697 0.400 . 1 . . . . . 69 ARG CD . 17390 1 852 . 1 . 1 69 69 ARG N N 15 115.760 0.400 . 1 . . . . . 69 ARG N . 17390 1 853 . 1 . 1 69 69 ARG NE N 15 85.000 0.400 . 1 . . . . . 69 ARG NE . 17390 1 854 . 1 . 1 70 70 GLU H H 1 7.430 0.020 . 1 . . . . . 70 GLU H . 17390 1 855 . 1 . 1 70 70 GLU HA H 1 4.003 0.020 . 1 . . . . . 70 GLU HA . 17390 1 856 . 1 . 1 70 70 GLU HB2 H 1 2.208 0.020 . 2 . . . . . 70 GLU HB2 . 17390 1 857 . 1 . 1 70 70 GLU HB3 H 1 1.947 0.020 . 2 . . . . . 70 GLU HB3 . 17390 1 858 . 1 . 1 70 70 GLU HG2 H 1 2.260 0.020 . 2 . . . . . 70 GLU HG2 . 17390 1 859 . 1 . 1 70 70 GLU HG3 H 1 2.502 0.020 . 2 . . . . . 70 GLU HG3 . 17390 1 860 . 1 . 1 70 70 GLU CA C 13 59.143 0.400 . 1 . . . . . 70 GLU CA . 17390 1 861 . 1 . 1 70 70 GLU CB C 13 28.986 0.400 . 1 . . . . . 70 GLU CB . 17390 1 862 . 1 . 1 70 70 GLU CG C 13 36.226 0.400 . 1 . . . . . 70 GLU CG . 17390 1 863 . 1 . 1 70 70 GLU N N 15 118.384 0.400 . 1 . . . . . 70 GLU N . 17390 1 864 . 1 . 1 71 71 ILE H H 1 7.766 0.020 . 1 . . . . . 71 ILE H . 17390 1 865 . 1 . 1 71 71 ILE HA H 1 3.556 0.020 . 1 . . . . . 71 ILE HA . 17390 1 866 . 1 . 1 71 71 ILE HB H 1 1.829 0.020 . 1 . . . . . 71 ILE HB . 17390 1 867 . 1 . 1 71 71 ILE HG12 H 1 0.914 0.020 . 2 . . . . . 71 ILE HG12 . 17390 1 868 . 1 . 1 71 71 ILE HG13 H 1 1.938 0.020 . 2 . . . . . 71 ILE HG13 . 17390 1 869 . 1 . 1 71 71 ILE HG21 H 1 0.644 0.020 . 1 . . . . . 71 ILE HG2 . 17390 1 870 . 1 . 1 71 71 ILE HG22 H 1 0.644 0.020 . 1 . . . . . 71 ILE HG2 . 17390 1 871 . 1 . 1 71 71 ILE HG23 H 1 0.644 0.020 . 1 . . . . . 71 ILE HG2 . 17390 1 872 . 1 . 1 71 71 ILE HD11 H 1 0.669 0.020 . 1 . . . . . 71 ILE HD1 . 17390 1 873 . 1 . 1 71 71 ILE HD12 H 1 0.669 0.020 . 1 . . . . . 71 ILE HD1 . 17390 1 874 . 1 . 1 71 71 ILE HD13 H 1 0.669 0.020 . 1 . . . . . 71 ILE HD1 . 17390 1 875 . 1 . 1 71 71 ILE CA C 13 65.919 0.400 . 1 . . . . . 71 ILE CA . 17390 1 876 . 1 . 1 71 71 ILE CB C 13 36.609 0.400 . 1 . . . . . 71 ILE CB . 17390 1 877 . 1 . 1 71 71 ILE CG1 C 13 29.470 0.400 . 1 . . . . . 71 ILE CG1 . 17390 1 878 . 1 . 1 71 71 ILE CG2 C 13 15.806 0.400 . 1 . . . . . 71 ILE CG2 . 17390 1 879 . 1 . 1 71 71 ILE CD1 C 13 14.511 0.400 . 1 . . . . . 71 ILE CD1 . 17390 1 880 . 1 . 1 71 71 ILE N N 15 121.535 0.400 . 1 . . . . . 71 ILE N . 17390 1 881 . 1 . 1 72 72 TRP H H 1 7.037 0.020 . 1 . . . . . 72 TRP H . 17390 1 882 . 1 . 1 72 72 TRP HA H 1 4.620 0.020 . 1 . . . . . 72 TRP HA . 17390 1 883 . 1 . 1 72 72 TRP HB2 H 1 3.335 0.020 . 2 . . . . . 72 TRP HB2 . 17390 1 884 . 1 . 1 72 72 TRP HB3 H 1 3.198 0.020 . 2 . . . . . 72 TRP HB3 . 17390 1 885 . 1 . 1 72 72 TRP HD1 H 1 7.296 0.020 . 1 . . . . . 72 TRP HD1 . 17390 1 886 . 1 . 1 72 72 TRP HE1 H 1 10.132 0.020 . 1 . . . . . 72 TRP HE1 . 17390 1 887 . 1 . 1 72 72 TRP HE3 H 1 7.567 0.020 . 1 . . . . . 72 TRP HE3 . 17390 1 888 . 1 . 1 72 72 TRP HZ2 H 1 6.695 0.020 . 1 . . . . . 72 TRP HZ2 . 17390 1 889 . 1 . 1 72 72 TRP HZ3 H 1 6.815 0.020 . 1 . . . . . 72 TRP HZ3 . 17390 1 890 . 1 . 1 72 72 TRP HH2 H 1 6.662 0.020 . 1 . . . . . 72 TRP HH2 . 17390 1 891 . 1 . 1 72 72 TRP CA C 13 57.904 0.400 . 1 . . . . . 72 TRP CA . 17390 1 892 . 1 . 1 72 72 TRP CB C 13 30.184 0.400 . 1 . . . . . 72 TRP CB . 17390 1 893 . 1 . 1 72 72 TRP CD1 C 13 128.708 0.400 . 1 . . . . . 72 TRP CD1 . 17390 1 894 . 1 . 1 72 72 TRP CE3 C 13 121.188 0.400 . 1 . . . . . 72 TRP CE3 . 17390 1 895 . 1 . 1 72 72 TRP CZ2 C 13 113.150 0.400 . 1 . . . . . 72 TRP CZ2 . 17390 1 896 . 1 . 1 72 72 TRP CZ3 C 13 121.141 0.400 . 1 . . . . . 72 TRP CZ3 . 17390 1 897 . 1 . 1 72 72 TRP CH2 C 13 122.015 0.400 . 1 . . . . . 72 TRP CH2 . 17390 1 898 . 1 . 1 72 72 TRP N N 15 114.932 0.400 . 1 . . . . . 72 TRP N . 17390 1 899 . 1 . 1 72 72 TRP NE1 N 15 128.850 0.400 . 1 . . . . . 72 TRP NE1 . 17390 1 900 . 1 . 1 73 73 GLU H H 1 7.201 0.020 . 1 . . . . . 73 GLU H . 17390 1 901 . 1 . 1 73 73 GLU HA H 1 4.212 0.020 . 1 . . . . . 73 GLU HA . 17390 1 902 . 1 . 1 73 73 GLU HB2 H 1 2.129 0.020 . 2 . . . . . 73 GLU HB2 . 17390 1 903 . 1 . 1 73 73 GLU HB3 H 1 2.130 0.020 . 2 . . . . . 73 GLU HB3 . 17390 1 904 . 1 . 1 73 73 GLU HG2 H 1 2.423 0.020 . 2 . . . . . 73 GLU HG2 . 17390 1 905 . 1 . 1 73 73 GLU HG3 H 1 2.323 0.020 . 2 . . . . . 73 GLU HG3 . 17390 1 906 . 1 . 1 73 73 GLU CA C 13 57.149 0.400 . 1 . . . . . 73 GLU CA . 17390 1 907 . 1 . 1 73 73 GLU CB C 13 29.792 0.400 . 1 . . . . . 73 GLU CB . 17390 1 908 . 1 . 1 73 73 GLU CG C 13 35.759 0.400 . 1 . . . . . 73 GLU CG . 17390 1 909 . 1 . 1 73 73 GLU N N 15 113.239 0.400 . 1 . . . . . 73 GLU N . 17390 1 910 . 1 . 1 74 74 ARG H H 1 8.155 0.020 . 1 . . . . . 74 ARG H . 17390 1 911 . 1 . 1 74 74 ARG HA H 1 3.919 0.020 . 1 . . . . . 74 ARG HA . 17390 1 912 . 1 . 1 74 74 ARG HB2 H 1 1.732 0.020 . 2 . . . . . 74 ARG HB2 . 17390 1 913 . 1 . 1 74 74 ARG HB3 H 1 1.259 0.020 . 2 . . . . . 74 ARG HB3 . 17390 1 914 . 1 . 1 74 74 ARG HG2 H 1 0.849 0.020 . 2 . . . . . 74 ARG HG2 . 17390 1 915 . 1 . 1 74 74 ARG HG3 H 1 1.238 0.020 . 2 . . . . . 74 ARG HG3 . 17390 1 916 . 1 . 1 74 74 ARG HD2 H 1 2.927 0.020 . 2 . . . . . 74 ARG HD2 . 17390 1 917 . 1 . 1 74 74 ARG HD3 H 1 3.083 0.020 . 2 . . . . . 74 ARG HD3 . 17390 1 918 . 1 . 1 74 74 ARG HE H 1 7.956 0.020 . 1 . . . . . 74 ARG HE . 17390 1 919 . 1 . 1 74 74 ARG CA C 13 57.477 0.400 . 1 . . . . . 74 ARG CA . 17390 1 920 . 1 . 1 74 74 ARG CB C 13 31.149 0.400 . 1 . . . . . 74 ARG CB . 17390 1 921 . 1 . 1 74 74 ARG CG C 13 27.145 0.400 . 1 . . . . . 74 ARG CG . 17390 1 922 . 1 . 1 74 74 ARG CD C 13 42.968 0.400 . 1 . . . . . 74 ARG CD . 17390 1 923 . 1 . 1 74 74 ARG N N 15 119.344 0.400 . 1 . . . . . 74 ARG N . 17390 1 924 . 1 . 1 74 74 ARG NE N 15 85.031 0.400 . 1 . . . . . 74 ARG NE . 17390 1 925 . 1 . 1 75 75 TYR H H 1 8.056 0.020 . 1 . . . . . 75 TYR H . 17390 1 926 . 1 . 1 75 75 TYR HA H 1 5.138 0.020 . 1 . . . . . 75 TYR HA . 17390 1 927 . 1 . 1 75 75 TYR HB2 H 1 2.835 0.020 . 2 . . . . . 75 TYR HB2 . 17390 1 928 . 1 . 1 75 75 TYR HB3 H 1 2.965 0.020 . 2 . . . . . 75 TYR HB3 . 17390 1 929 . 1 . 1 75 75 TYR HD1 H 1 7.142 0.020 . 1 . . . . . 75 TYR HD1 . 17390 1 930 . 1 . 1 75 75 TYR HD2 H 1 7.142 0.020 . 1 . . . . . 75 TYR HD2 . 17390 1 931 . 1 . 1 75 75 TYR HE1 H 1 6.568 0.020 . 1 . . . . . 75 TYR HE1 . 17390 1 932 . 1 . 1 75 75 TYR HE2 H 1 6.568 0.020 . 1 . . . . . 75 TYR HE2 . 17390 1 933 . 1 . 1 75 75 TYR CA C 13 54.553 0.400 . 1 . . . . . 75 TYR CA . 17390 1 934 . 1 . 1 75 75 TYR CB C 13 37.285 0.400 . 1 . . . . . 75 TYR CB . 17390 1 935 . 1 . 1 75 75 TYR CD1 C 13 133.594 0.400 . 1 . . . . . 75 TYR CD1 . 17390 1 936 . 1 . 1 75 75 TYR CD2 C 13 133.634 0.400 . 1 . . . . . 75 TYR CD2 . 17390 1 937 . 1 . 1 75 75 TYR CE1 C 13 116.981 0.400 . 1 . . . . . 75 TYR CE1 . 17390 1 938 . 1 . 1 75 75 TYR CE2 C 13 117.208 0.400 . 1 . . . . . 75 TYR CE2 . 17390 1 939 . 1 . 1 75 75 TYR N N 15 115.266 0.400 . 1 . . . . . 75 TYR N . 17390 1 940 . 1 . 1 76 76 PRO HA H 1 4.552 0.020 . 1 . . . . . 76 PRO HA . 17390 1 941 . 1 . 1 76 76 PRO HB2 H 1 2.012 0.020 . 2 . . . . . 76 PRO HB2 . 17390 1 942 . 1 . 1 76 76 PRO HB3 H 1 2.420 0.020 . 2 . . . . . 76 PRO HB3 . 17390 1 943 . 1 . 1 76 76 PRO HG2 H 1 1.999 0.020 . 2 . . . . . 76 PRO HG2 . 17390 1 944 . 1 . 1 76 76 PRO HG3 H 1 2.058 0.020 . 2 . . . . . 76 PRO HG3 . 17390 1 945 . 1 . 1 76 76 PRO HD2 H 1 3.641 0.020 . 2 . . . . . 76 PRO HD2 . 17390 1 946 . 1 . 1 76 76 PRO HD3 H 1 3.348 0.020 . 2 . . . . . 76 PRO HD3 . 17390 1 947 . 1 . 1 76 76 PRO CA C 13 64.665 0.400 . 1 . . . . . 76 PRO CA . 17390 1 948 . 1 . 1 76 76 PRO CB C 13 31.589 0.400 . 1 . . . . . 76 PRO CB . 17390 1 949 . 1 . 1 76 76 PRO CG C 13 27.291 0.400 . 1 . . . . . 76 PRO CG . 17390 1 950 . 1 . 1 76 76 PRO CD C 13 49.965 0.400 . 1 . . . . . 76 PRO CD . 17390 1 951 . 1 . 1 77 77 GLN H H 1 8.718 0.020 . 1 . . . . . 77 GLN H . 17390 1 952 . 1 . 1 77 77 GLN HA H 1 4.401 0.020 . 1 . . . . . 77 GLN HA . 17390 1 953 . 1 . 1 77 77 GLN HB2 H 1 2.287 0.020 . 2 . . . . . 77 GLN HB2 . 17390 1 954 . 1 . 1 77 77 GLN HB3 H 1 2.029 0.020 . 2 . . . . . 77 GLN HB3 . 17390 1 955 . 1 . 1 77 77 GLN HG2 H 1 2.403 0.020 . 2 . . . . . 77 GLN HG2 . 17390 1 956 . 1 . 1 77 77 GLN HG3 H 1 2.402 0.020 . 2 . . . . . 77 GLN HG3 . 17390 1 957 . 1 . 1 77 77 GLN HE21 H 1 7.544 0.020 . 2 . . . . . 77 GLN HE21 . 17390 1 958 . 1 . 1 77 77 GLN HE22 H 1 6.873 0.020 . 2 . . . . . 77 GLN HE22 . 17390 1 959 . 1 . 1 77 77 GLN CA C 13 55.685 0.400 . 1 . . . . . 77 GLN CA . 17390 1 960 . 1 . 1 77 77 GLN CB C 13 28.017 0.400 . 1 . . . . . 77 GLN CB . 17390 1 961 . 1 . 1 77 77 GLN CG C 13 34.677 0.400 . 1 . . . . . 77 GLN CG . 17390 1 962 . 1 . 1 77 77 GLN N N 15 114.629 0.400 . 1 . . . . . 77 GLN N . 17390 1 963 . 1 . 1 77 77 GLN NE2 N 15 112.008 0.400 . 1 . . . . . 77 GLN NE2 . 17390 1 964 . 1 . 1 78 78 LEU H H 1 8.633 0.020 . 1 . . . . . 78 LEU H . 17390 1 965 . 1 . 1 78 78 LEU HA H 1 3.819 0.020 . 1 . . . . . 78 LEU HA . 17390 1 966 . 1 . 1 78 78 LEU HB2 H 1 1.809 0.020 . 2 . . . . . 78 LEU HB2 . 17390 1 967 . 1 . 1 78 78 LEU HB3 H 1 2.138 0.020 . 2 . . . . . 78 LEU HB3 . 17390 1 968 . 1 . 1 78 78 LEU HG H 1 1.685 0.020 . 1 . . . . . 78 LEU HG . 17390 1 969 . 1 . 1 78 78 LEU HD11 H 1 0.998 0.020 . 2 . . . . . 78 LEU HD1 . 17390 1 970 . 1 . 1 78 78 LEU HD12 H 1 0.998 0.020 . 2 . . . . . 78 LEU HD1 . 17390 1 971 . 1 . 1 78 78 LEU HD13 H 1 0.998 0.020 . 2 . . . . . 78 LEU HD1 . 17390 1 972 . 1 . 1 78 78 LEU HD21 H 1 0.943 0.020 . 2 . . . . . 78 LEU HD2 . 17390 1 973 . 1 . 1 78 78 LEU HD22 H 1 0.943 0.020 . 2 . . . . . 78 LEU HD2 . 17390 1 974 . 1 . 1 78 78 LEU HD23 H 1 0.943 0.020 . 2 . . . . . 78 LEU HD2 . 17390 1 975 . 1 . 1 78 78 LEU CA C 13 55.766 0.400 . 1 . . . . . 78 LEU CA . 17390 1 976 . 1 . 1 78 78 LEU CB C 13 38.815 0.400 . 1 . . . . . 78 LEU CB . 17390 1 977 . 1 . 1 78 78 LEU CG C 13 26.535 0.400 . 1 . . . . . 78 LEU CG . 17390 1 978 . 1 . 1 78 78 LEU CD1 C 13 22.326 0.400 . 1 . . . . . 78 LEU CD1 . 17390 1 979 . 1 . 1 78 78 LEU CD2 C 13 26.495 0.400 . 1 . . . . . 78 LEU CD2 . 17390 1 980 . 1 . 1 78 78 LEU N N 15 115.772 0.400 . 1 . . . . . 78 LEU N . 17390 1 981 . 1 . 1 79 79 ASP H H 1 9.595 0.020 . 1 . . . . . 79 ASP H . 17390 1 982 . 1 . 1 79 79 ASP HA H 1 4.735 0.020 . 1 . . . . . 79 ASP HA . 17390 1 983 . 1 . 1 79 79 ASP HB2 H 1 2.441 0.020 . 2 . . . . . 79 ASP HB2 . 17390 1 984 . 1 . 1 79 79 ASP HB3 H 1 2.746 0.020 . 2 . . . . . 79 ASP HB3 . 17390 1 985 . 1 . 1 79 79 ASP CA C 13 52.465 0.400 . 1 . . . . . 79 ASP CA . 17390 1 986 . 1 . 1 79 79 ASP CB C 13 37.459 0.400 . 1 . . . . . 79 ASP CB . 17390 1 987 . 1 . 1 79 79 ASP N N 15 120.306 0.400 . 1 . . . . . 79 ASP N . 17390 1 988 . 1 . 1 80 80 VAL H H 1 7.438 0.020 . 1 . . . . . 80 VAL H . 17390 1 989 . 1 . 1 80 80 VAL HA H 1 4.704 0.020 . 1 . . . . . 80 VAL HA . 17390 1 990 . 1 . 1 80 80 VAL HB H 1 1.453 0.020 . 1 . . . . . 80 VAL HB . 17390 1 991 . 1 . 1 80 80 VAL HG11 H 1 0.216 0.020 . 2 . . . . . 80 VAL HG1 . 17390 1 992 . 1 . 1 80 80 VAL HG12 H 1 0.216 0.020 . 2 . . . . . 80 VAL HG1 . 17390 1 993 . 1 . 1 80 80 VAL HG13 H 1 0.216 0.020 . 2 . . . . . 80 VAL HG1 . 17390 1 994 . 1 . 1 80 80 VAL HG21 H 1 0.154 0.020 . 2 . . . . . 80 VAL HG2 . 17390 1 995 . 1 . 1 80 80 VAL HG22 H 1 0.154 0.020 . 2 . . . . . 80 VAL HG2 . 17390 1 996 . 1 . 1 80 80 VAL HG23 H 1 0.154 0.020 . 2 . . . . . 80 VAL HG2 . 17390 1 997 . 1 . 1 80 80 VAL CA C 13 58.072 0.400 . 1 . . . . . 80 VAL CA . 17390 1 998 . 1 . 1 80 80 VAL CB C 13 35.052 0.400 . 1 . . . . . 80 VAL CB . 17390 1 999 . 1 . 1 80 80 VAL CG1 C 13 18.951 0.400 . 1 . . . . . 80 VAL CG1 . 17390 1 1000 . 1 . 1 80 80 VAL CG2 C 13 19.459 0.400 . 1 . . . . . 80 VAL CG2 . 17390 1 1001 . 1 . 1 80 80 VAL N N 15 112.424 0.400 . 1 . . . . . 80 VAL N . 17390 1 1002 . 1 . 1 81 81 VAL H H 1 8.126 0.020 . 1 . . . . . 81 VAL H . 17390 1 1003 . 1 . 1 81 81 VAL HA H 1 4.470 0.020 . 1 . . . . . 81 VAL HA . 17390 1 1004 . 1 . 1 81 81 VAL HB H 1 1.823 0.020 . 1 . . . . . 81 VAL HB . 17390 1 1005 . 1 . 1 81 81 VAL HG11 H 1 0.880 0.020 . 2 . . . . . 81 VAL HG1 . 17390 1 1006 . 1 . 1 81 81 VAL HG12 H 1 0.880 0.020 . 2 . . . . . 81 VAL HG1 . 17390 1 1007 . 1 . 1 81 81 VAL HG13 H 1 0.880 0.020 . 2 . . . . . 81 VAL HG1 . 17390 1 1008 . 1 . 1 81 81 VAL HG21 H 1 0.803 0.020 . 2 . . . . . 81 VAL HG2 . 17390 1 1009 . 1 . 1 81 81 VAL HG22 H 1 0.803 0.020 . 2 . . . . . 81 VAL HG2 . 17390 1 1010 . 1 . 1 81 81 VAL HG23 H 1 0.803 0.020 . 2 . . . . . 81 VAL HG2 . 17390 1 1011 . 1 . 1 81 81 VAL CA C 13 61.560 0.400 . 1 . . . . . 81 VAL CA . 17390 1 1012 . 1 . 1 81 81 VAL CB C 13 33.692 0.400 . 1 . . . . . 81 VAL CB . 17390 1 1013 . 1 . 1 81 81 VAL CG1 C 13 22.173 0.400 . 1 . . . . . 81 VAL CG1 . 17390 1 1014 . 1 . 1 81 81 VAL CG2 C 13 20.645 0.400 . 1 . . . . . 81 VAL CG2 . 17390 1 1015 . 1 . 1 81 81 VAL N N 15 121.924 0.400 . 1 . . . . . 81 VAL N . 17390 1 1016 . 1 . 1 82 82 VAL H H 1 8.270 0.020 . 1 . . . . . 82 VAL H . 17390 1 1017 . 1 . 1 82 82 VAL HA H 1 4.777 0.020 . 1 . . . . . 82 VAL HA . 17390 1 1018 . 1 . 1 82 82 VAL HB H 1 1.892 0.020 . 1 . . . . . 82 VAL HB . 17390 1 1019 . 1 . 1 82 82 VAL HG11 H 1 0.803 0.020 . 2 . . . . . 82 VAL HG1 . 17390 1 1020 . 1 . 1 82 82 VAL HG12 H 1 0.803 0.020 . 2 . . . . . 82 VAL HG1 . 17390 1 1021 . 1 . 1 82 82 VAL HG13 H 1 0.803 0.020 . 2 . . . . . 82 VAL HG1 . 17390 1 1022 . 1 . 1 82 82 VAL HG21 H 1 0.680 0.020 . 2 . . . . . 82 VAL HG2 . 17390 1 1023 . 1 . 1 82 82 VAL HG22 H 1 0.680 0.020 . 2 . . . . . 82 VAL HG2 . 17390 1 1024 . 1 . 1 82 82 VAL HG23 H 1 0.680 0.020 . 2 . . . . . 82 VAL HG2 . 17390 1 1025 . 1 . 1 82 82 VAL CA C 13 60.098 0.400 . 1 . . . . . 82 VAL CA . 17390 1 1026 . 1 . 1 82 82 VAL CB C 13 32.288 0.400 . 1 . . . . . 82 VAL CB . 17390 1 1027 . 1 . 1 82 82 VAL CG1 C 13 21.409 0.400 . 1 . . . . . 82 VAL CG1 . 17390 1 1028 . 1 . 1 82 82 VAL CG2 C 13 21.344 0.400 . 1 . . . . . 82 VAL CG2 . 17390 1 1029 . 1 . 1 82 82 VAL N N 15 126.903 0.400 . 1 . . . . . 82 VAL N . 17390 1 1030 . 1 . 1 83 83 ILE H H 1 9.060 0.020 . 1 . . . . . 83 ILE H . 17390 1 1031 . 1 . 1 83 83 ILE HA H 1 4.721 0.020 . 1 . . . . . 83 ILE HA . 17390 1 1032 . 1 . 1 83 83 ILE HB H 1 1.443 0.020 . 1 . . . . . 83 ILE HB . 17390 1 1033 . 1 . 1 83 83 ILE HG12 H 1 1.414 0.020 . 2 . . . . . 83 ILE HG12 . 17390 1 1034 . 1 . 1 83 83 ILE HG13 H 1 0.618 0.020 . 2 . . . . . 83 ILE HG13 . 17390 1 1035 . 1 . 1 83 83 ILE HG21 H 1 0.490 0.020 . 1 . . . . . 83 ILE HG2 . 17390 1 1036 . 1 . 1 83 83 ILE HG22 H 1 0.490 0.020 . 1 . . . . . 83 ILE HG2 . 17390 1 1037 . 1 . 1 83 83 ILE HG23 H 1 0.490 0.020 . 1 . . . . . 83 ILE HG2 . 17390 1 1038 . 1 . 1 83 83 ILE HD11 H 1 0.530 0.020 . 1 . . . . . 83 ILE HD1 . 17390 1 1039 . 1 . 1 83 83 ILE HD12 H 1 0.530 0.020 . 1 . . . . . 83 ILE HD1 . 17390 1 1040 . 1 . 1 83 83 ILE HD13 H 1 0.530 0.020 . 1 . . . . . 83 ILE HD1 . 17390 1 1041 . 1 . 1 83 83 ILE CA C 13 59.100 0.400 . 1 . . . . . 83 ILE CA . 17390 1 1042 . 1 . 1 83 83 ILE CB C 13 39.839 0.400 . 1 . . . . . 83 ILE CB . 17390 1 1043 . 1 . 1 83 83 ILE CG1 C 13 26.582 0.400 . 1 . . . . . 83 ILE CG1 . 17390 1 1044 . 1 . 1 83 83 ILE CG2 C 13 16.720 0.400 . 1 . . . . . 83 ILE CG2 . 17390 1 1045 . 1 . 1 83 83 ILE CD1 C 13 14.981 0.400 . 1 . . . . . 83 ILE CD1 . 17390 1 1046 . 1 . 1 83 83 ILE N N 15 126.519 0.400 . 1 . . . . . 83 ILE N . 17390 1 1047 . 1 . 1 84 84 VAL H H 1 9.029 0.020 . 1 . . . . . 84 VAL H . 17390 1 1048 . 1 . 1 84 84 VAL HA H 1 4.874 0.020 . 1 . . . . . 84 VAL HA . 17390 1 1049 . 1 . 1 84 84 VAL HB H 1 1.539 0.020 . 1 . . . . . 84 VAL HB . 17390 1 1050 . 1 . 1 84 84 VAL HG11 H 1 1.056 0.020 . 2 . . . . . 84 VAL HG1 . 17390 1 1051 . 1 . 1 84 84 VAL HG12 H 1 1.056 0.020 . 2 . . . . . 84 VAL HG1 . 17390 1 1052 . 1 . 1 84 84 VAL HG13 H 1 1.056 0.020 . 2 . . . . . 84 VAL HG1 . 17390 1 1053 . 1 . 1 84 84 VAL HG21 H 1 0.550 0.020 . 2 . . . . . 84 VAL HG2 . 17390 1 1054 . 1 . 1 84 84 VAL HG22 H 1 0.550 0.020 . 2 . . . . . 84 VAL HG2 . 17390 1 1055 . 1 . 1 84 84 VAL HG23 H 1 0.550 0.020 . 2 . . . . . 84 VAL HG2 . 17390 1 1056 . 1 . 1 84 84 VAL CA C 13 59.714 0.400 . 1 . . . . . 84 VAL CA . 17390 1 1057 . 1 . 1 84 84 VAL CB C 13 32.966 0.400 . 1 . . . . . 84 VAL CB . 17390 1 1058 . 1 . 1 84 84 VAL CG1 C 13 22.334 0.400 . 1 . . . . . 84 VAL CG1 . 17390 1 1059 . 1 . 1 84 84 VAL CG2 C 13 20.369 0.400 . 1 . . . . . 84 VAL CG2 . 17390 1 1060 . 1 . 1 84 84 VAL N N 15 126.888 0.400 . 1 . . . . . 84 VAL N . 17390 1 1061 . 1 . 1 85 85 THR H H 1 7.718 0.020 . 1 . . . . . 85 THR H . 17390 1 1062 . 1 . 1 85 85 THR HA H 1 4.979 0.020 . 1 . . . . . 85 THR HA . 17390 1 1063 . 1 . 1 85 85 THR HB H 1 4.622 0.020 . 1 . . . . . 85 THR HB . 17390 1 1064 . 1 . 1 85 85 THR HG21 H 1 1.101 0.020 . 1 . . . . . 85 THR HG2 . 17390 1 1065 . 1 . 1 85 85 THR HG22 H 1 1.101 0.020 . 1 . . . . . 85 THR HG2 . 17390 1 1066 . 1 . 1 85 85 THR HG23 H 1 1.101 0.020 . 1 . . . . . 85 THR HG2 . 17390 1 1067 . 1 . 1 85 85 THR CA C 13 60.023 0.400 . 1 . . . . . 85 THR CA . 17390 1 1068 . 1 . 1 85 85 THR CB C 13 67.497 0.400 . 1 . . . . . 85 THR CB . 17390 1 1069 . 1 . 1 85 85 THR CG2 C 13 21.168 0.400 . 1 . . . . . 85 THR CG2 . 17390 1 1070 . 1 . 1 85 85 THR N N 15 117.191 0.400 . 1 . . . . . 85 THR N . 17390 1 1071 . 1 . 1 86 86 THR H H 1 7.605 0.020 . 1 . . . . . 86 THR H . 17390 1 1072 . 1 . 1 86 86 THR HA H 1 4.365 0.020 . 1 . . . . . 86 THR HA . 17390 1 1073 . 1 . 1 86 86 THR HB H 1 3.403 0.020 . 1 . . . . . 86 THR HB . 17390 1 1074 . 1 . 1 86 86 THR HG21 H 1 0.502 0.020 . 1 . . . . . 86 THR HG2 . 17390 1 1075 . 1 . 1 86 86 THR HG22 H 1 0.502 0.020 . 1 . . . . . 86 THR HG2 . 17390 1 1076 . 1 . 1 86 86 THR HG23 H 1 0.502 0.020 . 1 . . . . . 86 THR HG2 . 17390 1 1077 . 1 . 1 86 86 THR CA C 13 59.380 0.400 . 1 . . . . . 86 THR CA . 17390 1 1078 . 1 . 1 86 86 THR CB C 13 68.472 0.400 . 1 . . . . . 86 THR CB . 17390 1 1079 . 1 . 1 86 86 THR CG2 C 13 19.366 0.400 . 1 . . . . . 86 THR CG2 . 17390 1 1080 . 1 . 1 86 86 THR N N 15 115.069 0.400 . 1 . . . . . 86 THR N . 17390 1 1081 . 1 . 1 87 87 ASP H H 1 7.644 0.020 . 1 . . . . . 87 ASP H . 17390 1 1082 . 1 . 1 87 87 ASP HA H 1 4.701 0.020 . 1 . . . . . 87 ASP HA . 17390 1 1083 . 1 . 1 87 87 ASP HB2 H 1 2.914 0.020 . 2 . . . . . 87 ASP HB2 . 17390 1 1084 . 1 . 1 87 87 ASP HB3 H 1 2.489 0.020 . 2 . . . . . 87 ASP HB3 . 17390 1 1085 . 1 . 1 87 87 ASP CA C 13 51.910 0.400 . 1 . . . . . 87 ASP CA . 17390 1 1086 . 1 . 1 87 87 ASP CB C 13 40.992 0.400 . 1 . . . . . 87 ASP CB . 17390 1 1087 . 1 . 1 87 87 ASP N N 15 120.489 0.400 . 1 . . . . . 87 ASP N . 17390 1 1088 . 1 . 1 88 88 ASP H H 1 7.830 0.020 . 1 . . . . . 88 ASP H . 17390 1 1089 . 1 . 1 88 88 ASP HA H 1 4.341 0.020 . 1 . . . . . 88 ASP HA . 17390 1 1090 . 1 . 1 88 88 ASP HB2 H 1 2.369 0.020 . 2 . . . . . 88 ASP HB2 . 17390 1 1091 . 1 . 1 88 88 ASP HB3 H 1 2.204 0.020 . 2 . . . . . 88 ASP HB3 . 17390 1 1092 . 1 . 1 88 88 ASP CA C 13 54.722 0.400 . 1 . . . . . 88 ASP CA . 17390 1 1093 . 1 . 1 88 88 ASP CB C 13 41.958 0.400 . 1 . . . . . 88 ASP CB . 17390 1 1094 . 1 . 1 88 88 ASP N N 15 122.576 0.400 . 1 . . . . . 88 ASP N . 17390 1 1095 . 1 . 1 89 89 LYS H H 1 8.886 0.020 . 1 . . . . . 89 LYS H . 17390 1 1096 . 1 . 1 89 89 LYS HA H 1 3.809 0.020 . 1 . . . . . 89 LYS HA . 17390 1 1097 . 1 . 1 89 89 LYS HB2 H 1 1.936 0.020 . 2 . . . . . 89 LYS HB2 . 17390 1 1098 . 1 . 1 89 89 LYS HB3 H 1 1.934 0.020 . 2 . . . . . 89 LYS HB3 . 17390 1 1099 . 1 . 1 89 89 LYS HG2 H 1 1.640 0.020 . 2 . . . . . 89 LYS HG2 . 17390 1 1100 . 1 . 1 89 89 LYS HG3 H 1 1.468 0.020 . 2 . . . . . 89 LYS HG3 . 17390 1 1101 . 1 . 1 89 89 LYS HD2 H 1 1.621 0.020 . 2 . . . . . 89 LYS HD2 . 17390 1 1102 . 1 . 1 89 89 LYS HD3 H 1 1.619 0.020 . 2 . . . . . 89 LYS HD3 . 17390 1 1103 . 1 . 1 89 89 LYS HE2 H 1 2.931 0.020 . 2 . . . . . 89 LYS HE2 . 17390 1 1104 . 1 . 1 89 89 LYS HE3 H 1 2.935 0.020 . 2 . . . . . 89 LYS HE3 . 17390 1 1105 . 1 . 1 89 89 LYS CA C 13 59.357 0.400 . 1 . . . . . 89 LYS CA . 17390 1 1106 . 1 . 1 89 89 LYS CB C 13 32.150 0.400 . 1 . . . . . 89 LYS CB . 17390 1 1107 . 1 . 1 89 89 LYS CG C 13 24.861 0.400 . 1 . . . . . 89 LYS CG . 17390 1 1108 . 1 . 1 89 89 LYS CD C 13 29.196 0.400 . 1 . . . . . 89 LYS CD . 17390 1 1109 . 1 . 1 89 89 LYS CE C 13 41.541 0.400 . 1 . . . . . 89 LYS CE . 17390 1 1110 . 1 . 1 89 89 LYS N N 15 127.607 0.400 . 1 . . . . . 89 LYS N . 17390 1 1111 . 1 . 1 90 90 GLU H H 1 8.988 0.020 . 1 . . . . . 90 GLU H . 17390 1 1112 . 1 . 1 90 90 GLU HA H 1 4.143 0.020 . 1 . . . . . 90 GLU HA . 17390 1 1113 . 1 . 1 90 90 GLU HB2 H 1 2.248 0.020 . 2 . . . . . 90 GLU HB2 . 17390 1 1114 . 1 . 1 90 90 GLU HB3 H 1 2.144 0.020 . 2 . . . . . 90 GLU HB3 . 17390 1 1115 . 1 . 1 90 90 GLU HG2 H 1 2.515 0.020 . 2 . . . . . 90 GLU HG2 . 17390 1 1116 . 1 . 1 90 90 GLU HG3 H 1 2.328 0.020 . 2 . . . . . 90 GLU HG3 . 17390 1 1117 . 1 . 1 90 90 GLU CA C 13 58.856 0.400 . 1 . . . . . 90 GLU CA . 17390 1 1118 . 1 . 1 90 90 GLU CB C 13 28.818 0.400 . 1 . . . . . 90 GLU CB . 17390 1 1119 . 1 . 1 90 90 GLU CG C 13 36.346 0.400 . 1 . . . . . 90 GLU CG . 17390 1 1120 . 1 . 1 90 90 GLU N N 15 118.811 0.400 . 1 . . . . . 90 GLU N . 17390 1 1121 . 1 . 1 91 91 TRP H H 1 7.848 0.020 . 1 . . . . . 91 TRP H . 17390 1 1122 . 1 . 1 91 91 TRP HA H 1 4.338 0.020 . 1 . . . . . 91 TRP HA . 17390 1 1123 . 1 . 1 91 91 TRP HB2 H 1 3.137 0.020 . 2 . . . . . 91 TRP HB2 . 17390 1 1124 . 1 . 1 91 91 TRP HB3 H 1 2.900 0.020 . 2 . . . . . 91 TRP HB3 . 17390 1 1125 . 1 . 1 91 91 TRP HD1 H 1 7.099 0.020 . 1 . . . . . 91 TRP HD1 . 17390 1 1126 . 1 . 1 91 91 TRP HE1 H 1 10.051 0.020 . 1 . . . . . 91 TRP HE1 . 17390 1 1127 . 1 . 1 91 91 TRP HE3 H 1 5.855 0.020 . 1 . . . . . 91 TRP HE3 . 17390 1 1128 . 1 . 1 91 91 TRP HZ2 H 1 7.212 0.020 . 1 . . . . . 91 TRP HZ2 . 17390 1 1129 . 1 . 1 91 91 TRP HZ3 H 1 6.271 0.020 . 1 . . . . . 91 TRP HZ3 . 17390 1 1130 . 1 . 1 91 91 TRP HH2 H 1 6.628 0.020 . 1 . . . . . 91 TRP HH2 . 17390 1 1131 . 1 . 1 91 91 TRP CA C 13 60.713 0.400 . 1 . . . . . 91 TRP CA . 17390 1 1132 . 1 . 1 91 91 TRP CB C 13 26.908 0.400 . 1 . . . . . 91 TRP CB . 17390 1 1133 . 1 . 1 91 91 TRP CD1 C 13 124.793 0.400 . 1 . . . . . 91 TRP CD1 . 17390 1 1134 . 1 . 1 91 91 TRP CE3 C 13 120.140 0.400 . 1 . . . . . 91 TRP CE3 . 17390 1 1135 . 1 . 1 91 91 TRP CZ2 C 13 112.949 0.400 . 1 . . . . . 91 TRP CZ2 . 17390 1 1136 . 1 . 1 91 91 TRP CZ3 C 13 120.214 0.400 . 1 . . . . . 91 TRP CZ3 . 17390 1 1137 . 1 . 1 91 91 TRP CH2 C 13 123.458 0.400 . 1 . . . . . 91 TRP CH2 . 17390 1 1138 . 1 . 1 91 91 TRP N N 15 120.240 0.400 . 1 . . . . . 91 TRP N . 17390 1 1139 . 1 . 1 91 91 TRP NE1 N 15 129.435 0.400 . 1 . . . . . 91 TRP NE1 . 17390 1 1140 . 1 . 1 92 92 ILE H H 1 7.275 0.020 . 1 . . . . . 92 ILE H . 17390 1 1141 . 1 . 1 92 92 ILE HA H 1 3.186 0.020 . 1 . . . . . 92 ILE HA . 17390 1 1142 . 1 . 1 92 92 ILE HB H 1 1.272 0.020 . 1 . . . . . 92 ILE HB . 17390 1 1143 . 1 . 1 92 92 ILE HG12 H 1 -1.446 0.020 . 2 . . . . . 92 ILE HG12 . 17390 1 1144 . 1 . 1 92 92 ILE HG13 H 1 0.730 0.020 . 2 . . . . . 92 ILE HG13 . 17390 1 1145 . 1 . 1 92 92 ILE HG21 H 1 -0.232 0.020 . 1 . . . . . 92 ILE HG2 . 17390 1 1146 . 1 . 1 92 92 ILE HG22 H 1 -0.232 0.020 . 1 . . . . . 92 ILE HG2 . 17390 1 1147 . 1 . 1 92 92 ILE HG23 H 1 -0.232 0.020 . 1 . . . . . 92 ILE HG2 . 17390 1 1148 . 1 . 1 92 92 ILE HD11 H 1 -0.026 0.020 . 1 . . . . . 92 ILE HD1 . 17390 1 1149 . 1 . 1 92 92 ILE HD12 H 1 -0.026 0.020 . 1 . . . . . 92 ILE HD1 . 17390 1 1150 . 1 . 1 92 92 ILE HD13 H 1 -0.026 0.020 . 1 . . . . . 92 ILE HD1 . 17390 1 1151 . 1 . 1 92 92 ILE CA C 13 65.331 0.400 . 1 . . . . . 92 ILE CA . 17390 1 1152 . 1 . 1 92 92 ILE CB C 13 36.482 0.400 . 1 . . . . . 92 ILE CB . 17390 1 1153 . 1 . 1 92 92 ILE CG1 C 13 25.811 0.400 . 1 . . . . . 92 ILE CG1 . 17390 1 1154 . 1 . 1 92 92 ILE CG2 C 13 15.123 0.400 . 1 . . . . . 92 ILE CG2 . 17390 1 1155 . 1 . 1 92 92 ILE CD1 C 13 13.289 0.400 . 1 . . . . . 92 ILE CD1 . 17390 1 1156 . 1 . 1 92 92 ILE N N 15 119.806 0.400 . 1 . . . . . 92 ILE N . 17390 1 1157 . 1 . 1 93 93 LYS H H 1 7.840 0.020 . 1 . . . . . 93 LYS H . 17390 1 1158 . 1 . 1 93 93 LYS HA H 1 3.852 0.020 . 1 . . . . . 93 LYS HA . 17390 1 1159 . 1 . 1 93 93 LYS HB2 H 1 2.075 0.020 . 2 . . . . . 93 LYS HB2 . 17390 1 1160 . 1 . 1 93 93 LYS HB3 H 1 2.004 0.020 . 2 . . . . . 93 LYS HB3 . 17390 1 1161 . 1 . 1 93 93 LYS HG2 H 1 1.555 0.020 . 2 . . . . . 93 LYS HG2 . 17390 1 1162 . 1 . 1 93 93 LYS HG3 H 1 1.718 0.020 . 2 . . . . . 93 LYS HG3 . 17390 1 1163 . 1 . 1 93 93 LYS HD2 H 1 1.777 0.020 . 2 . . . . . 93 LYS HD2 . 17390 1 1164 . 1 . 1 93 93 LYS HD3 H 1 1.777 0.020 . 2 . . . . . 93 LYS HD3 . 17390 1 1165 . 1 . 1 93 93 LYS HE2 H 1 2.979 0.020 . 2 . . . . . 93 LYS HE2 . 17390 1 1166 . 1 . 1 93 93 LYS HE3 H 1 2.979 0.020 . 2 . . . . . 93 LYS HE3 . 17390 1 1167 . 1 . 1 93 93 LYS CA C 13 59.999 0.400 . 1 . . . . . 93 LYS CA . 17390 1 1168 . 1 . 1 93 93 LYS CB C 13 32.055 0.400 . 1 . . . . . 93 LYS CB . 17390 1 1169 . 1 . 1 93 93 LYS CG C 13 25.181 0.400 . 1 . . . . . 93 LYS CG . 17390 1 1170 . 1 . 1 93 93 LYS CD C 13 29.140 0.400 . 1 . . . . . 93 LYS CD . 17390 1 1171 . 1 . 1 93 93 LYS CE C 13 41.812 0.400 . 1 . . . . . 93 LYS CE . 17390 1 1172 . 1 . 1 93 93 LYS N N 15 118.562 0.400 . 1 . . . . . 93 LYS N . 17390 1 1173 . 1 . 1 94 94 ASP H H 1 7.918 0.020 . 1 . . . . . 94 ASP H . 17390 1 1174 . 1 . 1 94 94 ASP HA H 1 4.407 0.020 . 1 . . . . . 94 ASP HA . 17390 1 1175 . 1 . 1 94 94 ASP HB2 H 1 2.931 0.020 . 2 . . . . . 94 ASP HB2 . 17390 1 1176 . 1 . 1 94 94 ASP HB3 H 1 2.482 0.020 . 2 . . . . . 94 ASP HB3 . 17390 1 1177 . 1 . 1 94 94 ASP CA C 13 57.646 0.400 . 1 . . . . . 94 ASP CA . 17390 1 1178 . 1 . 1 94 94 ASP CB C 13 40.358 0.400 . 1 . . . . . 94 ASP CB . 17390 1 1179 . 1 . 1 94 94 ASP N N 15 119.648 0.400 . 1 . . . . . 94 ASP N . 17390 1 1180 . 1 . 1 95 95 PHE H H 1 8.328 0.020 . 1 . . . . . 95 PHE H . 17390 1 1181 . 1 . 1 95 95 PHE HA H 1 3.909 0.020 . 1 . . . . . 95 PHE HA . 17390 1 1182 . 1 . 1 95 95 PHE HB2 H 1 3.504 0.020 . 2 . . . . . 95 PHE HB2 . 17390 1 1183 . 1 . 1 95 95 PHE HB3 H 1 3.764 0.020 . 2 . . . . . 95 PHE HB3 . 17390 1 1184 . 1 . 1 95 95 PHE HD1 H 1 7.127 0.020 . 1 . . . . . 95 PHE HD1 . 17390 1 1185 . 1 . 1 95 95 PHE HD2 H 1 7.127 0.020 . 1 . . . . . 95 PHE HD2 . 17390 1 1186 . 1 . 1 95 95 PHE HE1 H 1 7.000 0.020 . 1 . . . . . 95 PHE HE1 . 17390 1 1187 . 1 . 1 95 95 PHE HE2 H 1 7.000 0.020 . 1 . . . . . 95 PHE HE2 . 17390 1 1188 . 1 . 1 95 95 PHE HZ H 1 6.978 0.020 . 1 . . . . . 95 PHE HZ . 17390 1 1189 . 1 . 1 95 95 PHE CA C 13 61.713 0.400 . 1 . . . . . 95 PHE CA . 17390 1 1190 . 1 . 1 95 95 PHE CB C 13 39.529 0.400 . 1 . . . . . 95 PHE CB . 17390 1 1191 . 1 . 1 95 95 PHE CD1 C 13 131.524 0.400 . 1 . . . . . 95 PHE CD1 . 17390 1 1192 . 1 . 1 95 95 PHE CD2 C 13 131.541 0.400 . 1 . . . . . 95 PHE CD2 . 17390 1 1193 . 1 . 1 95 95 PHE CE1 C 13 130.348 0.400 . 1 . . . . . 95 PHE CE1 . 17390 1 1194 . 1 . 1 95 95 PHE CE2 C 13 130.419 0.400 . 1 . . . . . 95 PHE CE2 . 17390 1 1195 . 1 . 1 95 95 PHE CZ C 13 128.504 0.400 . 1 . . . . . 95 PHE CZ . 17390 1 1196 . 1 . 1 95 95 PHE N N 15 120.321 0.400 . 1 . . . . . 95 PHE N . 17390 1 1197 . 1 . 1 96 96 ILE H H 1 8.520 0.020 . 1 . . . . . 96 ILE H . 17390 1 1198 . 1 . 1 96 96 ILE HA H 1 3.506 0.020 . 1 . . . . . 96 ILE HA . 17390 1 1199 . 1 . 1 96 96 ILE HB H 1 2.041 0.020 . 1 . . . . . 96 ILE HB . 17390 1 1200 . 1 . 1 96 96 ILE HG12 H 1 0.956 0.020 . 2 . . . . . 96 ILE HG12 . 17390 1 1201 . 1 . 1 96 96 ILE HG13 H 1 1.949 0.020 . 2 . . . . . 96 ILE HG13 . 17390 1 1202 . 1 . 1 96 96 ILE HG21 H 1 0.982 0.020 . 1 . . . . . 96 ILE HG2 . 17390 1 1203 . 1 . 1 96 96 ILE HG22 H 1 0.982 0.020 . 1 . . . . . 96 ILE HG2 . 17390 1 1204 . 1 . 1 96 96 ILE HG23 H 1 0.982 0.020 . 1 . . . . . 96 ILE HG2 . 17390 1 1205 . 1 . 1 96 96 ILE HD11 H 1 0.724 0.020 . 1 . . . . . 96 ILE HD1 . 17390 1 1206 . 1 . 1 96 96 ILE HD12 H 1 0.724 0.020 . 1 . . . . . 96 ILE HD1 . 17390 1 1207 . 1 . 1 96 96 ILE HD13 H 1 0.724 0.020 . 1 . . . . . 96 ILE HD1 . 17390 1 1208 . 1 . 1 96 96 ILE CA C 13 65.902 0.400 . 1 . . . . . 96 ILE CA . 17390 1 1209 . 1 . 1 96 96 ILE CB C 13 37.974 0.400 . 1 . . . . . 96 ILE CB . 17390 1 1210 . 1 . 1 96 96 ILE CG1 C 13 29.743 0.400 . 1 . . . . . 96 ILE CG1 . 17390 1 1211 . 1 . 1 96 96 ILE CG2 C 13 17.539 0.400 . 1 . . . . . 96 ILE CG2 . 17390 1 1212 . 1 . 1 96 96 ILE CD1 C 13 14.539 0.400 . 1 . . . . . 96 ILE CD1 . 17390 1 1213 . 1 . 1 96 96 ILE N N 15 118.737 0.400 . 1 . . . . . 96 ILE N . 17390 1 1214 . 1 . 1 97 97 GLU H H 1 8.405 0.020 . 1 . . . . . 97 GLU H . 17390 1 1215 . 1 . 1 97 97 GLU HA H 1 3.957 0.020 . 1 . . . . . 97 GLU HA . 17390 1 1216 . 1 . 1 97 97 GLU HB2 H 1 2.165 0.020 . 2 . . . . . 97 GLU HB2 . 17390 1 1217 . 1 . 1 97 97 GLU HB3 H 1 2.163 0.020 . 2 . . . . . 97 GLU HB3 . 17390 1 1218 . 1 . 1 97 97 GLU HG2 H 1 2.478 0.020 . 2 . . . . . 97 GLU HG2 . 17390 1 1219 . 1 . 1 97 97 GLU HG3 H 1 2.323 0.020 . 2 . . . . . 97 GLU HG3 . 17390 1 1220 . 1 . 1 97 97 GLU CA C 13 59.734 0.400 . 1 . . . . . 97 GLU CA . 17390 1 1221 . 1 . 1 97 97 GLU CB C 13 29.260 0.400 . 1 . . . . . 97 GLU CB . 17390 1 1222 . 1 . 1 97 97 GLU CG C 13 36.426 0.400 . 1 . . . . . 97 GLU CG . 17390 1 1223 . 1 . 1 97 97 GLU N N 15 118.991 0.400 . 1 . . . . . 97 GLU N . 17390 1 1224 . 1 . 1 98 98 GLU H H 1 7.904 0.020 . 1 . . . . . 98 GLU H . 17390 1 1225 . 1 . 1 98 98 GLU HA H 1 3.956 0.020 . 1 . . . . . 98 GLU HA . 17390 1 1226 . 1 . 1 98 98 GLU HB2 H 1 2.058 0.020 . 2 . . . . . 98 GLU HB2 . 17390 1 1227 . 1 . 1 98 98 GLU HB3 H 1 2.053 0.020 . 2 . . . . . 98 GLU HB3 . 17390 1 1228 . 1 . 1 98 98 GLU HG2 H 1 2.388 0.020 . 2 . . . . . 98 GLU HG2 . 17390 1 1229 . 1 . 1 98 98 GLU HG3 H 1 2.012 0.020 . 2 . . . . . 98 GLU HG3 . 17390 1 1230 . 1 . 1 98 98 GLU CA C 13 58.475 0.400 . 1 . . . . . 98 GLU CA . 17390 1 1231 . 1 . 1 98 98 GLU CB C 13 28.872 0.400 . 1 . . . . . 98 GLU CB . 17390 1 1232 . 1 . 1 98 98 GLU CG C 13 35.715 0.400 . 1 . . . . . 98 GLU CG . 17390 1 1233 . 1 . 1 98 98 GLU N N 15 118.596 0.400 . 1 . . . . . 98 GLU N . 17390 1 1234 . 1 . 1 99 99 ALA H H 1 8.361 0.020 . 1 . . . . . 99 ALA H . 17390 1 1235 . 1 . 1 99 99 ALA HA H 1 3.873 0.020 . 1 . . . . . 99 ALA HA . 17390 1 1236 . 1 . 1 99 99 ALA HB1 H 1 1.367 0.020 . 1 . . . . . 99 ALA HB . 17390 1 1237 . 1 . 1 99 99 ALA HB2 H 1 1.367 0.020 . 1 . . . . . 99 ALA HB . 17390 1 1238 . 1 . 1 99 99 ALA HB3 H 1 1.367 0.020 . 1 . . . . . 99 ALA HB . 17390 1 1239 . 1 . 1 99 99 ALA CA C 13 55.143 0.400 . 1 . . . . . 99 ALA CA . 17390 1 1240 . 1 . 1 99 99 ALA CB C 13 17.954 0.400 . 1 . . . . . 99 ALA CB . 17390 1 1241 . 1 . 1 99 99 ALA N N 15 122.967 0.400 . 1 . . . . . 99 ALA N . 17390 1 1242 . 1 . 1 100 100 LYS H H 1 8.801 0.020 . 1 . . . . . 100 LYS H . 17390 1 1243 . 1 . 1 100 100 LYS HA H 1 3.973 0.020 . 1 . . . . . 100 LYS HA . 17390 1 1244 . 1 . 1 100 100 LYS HB2 H 1 1.942 0.020 . 2 . . . . . 100 LYS HB2 . 17390 1 1245 . 1 . 1 100 100 LYS HB3 H 1 1.829 0.020 . 2 . . . . . 100 LYS HB3 . 17390 1 1246 . 1 . 1 100 100 LYS HG2 H 1 1.465 0.020 . 2 . . . . . 100 LYS HG2 . 17390 1 1247 . 1 . 1 100 100 LYS HG3 H 1 1.648 0.020 . 2 . . . . . 100 LYS HG3 . 17390 1 1248 . 1 . 1 100 100 LYS HD2 H 1 1.659 0.020 . 2 . . . . . 100 LYS HD2 . 17390 1 1249 . 1 . 1 100 100 LYS HD3 H 1 1.659 0.020 . 2 . . . . . 100 LYS HD3 . 17390 1 1250 . 1 . 1 100 100 LYS HE2 H 1 2.937 0.020 . 2 . . . . . 100 LYS HE2 . 17390 1 1251 . 1 . 1 100 100 LYS HE3 H 1 2.938 0.020 . 2 . . . . . 100 LYS HE3 . 17390 1 1252 . 1 . 1 100 100 LYS CA C 13 59.475 0.400 . 1 . . . . . 100 LYS CA . 17390 1 1253 . 1 . 1 100 100 LYS CB C 13 31.880 0.400 . 1 . . . . . 100 LYS CB . 17390 1 1254 . 1 . 1 100 100 LYS CG C 13 24.941 0.400 . 1 . . . . . 100 LYS CG . 17390 1 1255 . 1 . 1 100 100 LYS CD C 13 29.156 0.400 . 1 . . . . . 100 LYS CD . 17390 1 1256 . 1 . 1 100 100 LYS CE C 13 41.877 0.400 . 1 . . . . . 100 LYS CE . 17390 1 1257 . 1 . 1 100 100 LYS N N 15 118.614 0.400 . 1 . . . . . 100 LYS N . 17390 1 1258 . 1 . 1 101 101 GLU H H 1 7.849 0.020 . 1 . . . . . 101 GLU H . 17390 1 1259 . 1 . 1 101 101 GLU HA H 1 3.992 0.020 . 1 . . . . . 101 GLU HA . 17390 1 1260 . 1 . 1 101 101 GLU HB2 H 1 2.089 0.020 . 2 . . . . . 101 GLU HB2 . 17390 1 1261 . 1 . 1 101 101 GLU HB3 H 1 2.089 0.020 . 2 . . . . . 101 GLU HB3 . 17390 1 1262 . 1 . 1 101 101 GLU HG2 H 1 2.346 0.020 . 2 . . . . . 101 GLU HG2 . 17390 1 1263 . 1 . 1 101 101 GLU HG3 H 1 2.300 0.020 . 2 . . . . . 101 GLU HG3 . 17390 1 1264 . 1 . 1 101 101 GLU CA C 13 58.523 0.400 . 1 . . . . . 101 GLU CA . 17390 1 1265 . 1 . 1 101 101 GLU CB C 13 28.897 0.400 . 1 . . . . . 101 GLU CB . 17390 1 1266 . 1 . 1 101 101 GLU CG C 13 35.000 0.400 . 1 . . . . . 101 GLU CG . 17390 1 1267 . 1 . 1 101 101 GLU N N 15 119.895 0.400 . 1 . . . . . 101 GLU N . 17390 1 1268 . 1 . 1 102 102 ARG H H 1 7.205 0.020 . 1 . . . . . 102 ARG H . 17390 1 1269 . 1 . 1 102 102 ARG HA H 1 4.095 0.020 . 1 . . . . . 102 ARG HA . 17390 1 1270 . 1 . 1 102 102 ARG HB2 H 1 1.426 0.020 . 2 . . . . . 102 ARG HB2 . 17390 1 1271 . 1 . 1 102 102 ARG HB3 H 1 1.152 0.020 . 2 . . . . . 102 ARG HB3 . 17390 1 1272 . 1 . 1 102 102 ARG HG2 H 1 0.505 0.020 . 2 . . . . . 102 ARG HG2 . 17390 1 1273 . 1 . 1 102 102 ARG HG3 H 1 0.849 0.020 . 2 . . . . . 102 ARG HG3 . 17390 1 1274 . 1 . 1 102 102 ARG HD2 H 1 2.472 0.020 . 2 . . . . . 102 ARG HD2 . 17390 1 1275 . 1 . 1 102 102 ARG HD3 H 1 2.218 0.020 . 2 . . . . . 102 ARG HD3 . 17390 1 1276 . 1 . 1 102 102 ARG HE H 1 7.025 0.020 . 1 . . . . . 102 ARG HE . 17390 1 1277 . 1 . 1 102 102 ARG CA C 13 54.382 0.400 . 1 . . . . . 102 ARG CA . 17390 1 1278 . 1 . 1 102 102 ARG CB C 13 29.905 0.400 . 1 . . . . . 102 ARG CB . 17390 1 1279 . 1 . 1 102 102 ARG CG C 13 25.851 0.400 . 1 . . . . . 102 ARG CG . 17390 1 1280 . 1 . 1 102 102 ARG CD C 13 41.814 0.400 . 1 . . . . . 102 ARG CD . 17390 1 1281 . 1 . 1 102 102 ARG N N 15 116.654 0.400 . 1 . . . . . 102 ARG N . 17390 1 1282 . 1 . 1 102 102 ARG NE N 15 85.000 0.400 . 1 . . . . . 102 ARG NE . 17390 1 1283 . 1 . 1 103 103 GLY H H 1 7.865 0.020 . 1 . . . . . 103 GLY H . 17390 1 1284 . 1 . 1 103 103 GLY HA2 H 1 3.768 0.020 . 2 . . . . . 103 GLY HA2 . 17390 1 1285 . 1 . 1 103 103 GLY HA3 H 1 3.973 0.020 . 2 . . . . . 103 GLY HA3 . 17390 1 1286 . 1 . 1 103 103 GLY CA C 13 45.741 0.400 . 1 . . . . . 103 GLY CA . 17390 1 1287 . 1 . 1 103 103 GLY N N 15 108.273 0.400 . 1 . . . . . 103 GLY N . 17390 1 1288 . 1 . 1 104 104 VAL H H 1 7.488 0.020 . 1 . . . . . 104 VAL H . 17390 1 1289 . 1 . 1 104 104 VAL HA H 1 4.118 0.020 . 1 . . . . . 104 VAL HA . 17390 1 1290 . 1 . 1 104 104 VAL HB H 1 1.699 0.020 . 1 . . . . . 104 VAL HB . 17390 1 1291 . 1 . 1 104 104 VAL HG11 H 1 0.821 0.020 . 2 . . . . . 104 VAL HG1 . 17390 1 1292 . 1 . 1 104 104 VAL HG12 H 1 0.821 0.020 . 2 . . . . . 104 VAL HG1 . 17390 1 1293 . 1 . 1 104 104 VAL HG13 H 1 0.821 0.020 . 2 . . . . . 104 VAL HG1 . 17390 1 1294 . 1 . 1 104 104 VAL HG21 H 1 0.454 0.020 . 2 . . . . . 104 VAL HG2 . 17390 1 1295 . 1 . 1 104 104 VAL HG22 H 1 0.454 0.020 . 2 . . . . . 104 VAL HG2 . 17390 1 1296 . 1 . 1 104 104 VAL HG23 H 1 0.454 0.020 . 2 . . . . . 104 VAL HG2 . 17390 1 1297 . 1 . 1 104 104 VAL CA C 13 60.403 0.400 . 1 . . . . . 104 VAL CA . 17390 1 1298 . 1 . 1 104 104 VAL CB C 13 33.722 0.400 . 1 . . . . . 104 VAL CB . 17390 1 1299 . 1 . 1 104 104 VAL CG1 C 13 21.570 0.400 . 1 . . . . . 104 VAL CG1 . 17390 1 1300 . 1 . 1 104 104 VAL CG2 C 13 20.478 0.400 . 1 . . . . . 104 VAL CG2 . 17390 1 1301 . 1 . 1 104 104 VAL N N 15 119.156 0.400 . 1 . . . . . 104 VAL N . 17390 1 1302 . 1 . 1 105 105 GLU H H 1 8.227 0.020 . 1 . . . . . 105 GLU H . 17390 1 1303 . 1 . 1 105 105 GLU HA H 1 4.515 0.020 . 1 . . . . . 105 GLU HA . 17390 1 1304 . 1 . 1 105 105 GLU HB2 H 1 2.057 0.020 . 2 . . . . . 105 GLU HB2 . 17390 1 1305 . 1 . 1 105 105 GLU HB3 H 1 2.192 0.020 . 2 . . . . . 105 GLU HB3 . 17390 1 1306 . 1 . 1 105 105 GLU HG2 H 1 2.446 0.020 . 2 . . . . . 105 GLU HG2 . 17390 1 1307 . 1 . 1 105 105 GLU HG3 H 1 2.246 0.020 . 2 . . . . . 105 GLU HG3 . 17390 1 1308 . 1 . 1 105 105 GLU CA C 13 56.429 0.400 . 1 . . . . . 105 GLU CA . 17390 1 1309 . 1 . 1 105 105 GLU CB C 13 30.481 0.400 . 1 . . . . . 105 GLU CB . 17390 1 1310 . 1 . 1 105 105 GLU CG C 13 36.972 0.400 . 1 . . . . . 105 GLU CG . 17390 1 1311 . 1 . 1 105 105 GLU N N 15 124.642 0.400 . 1 . . . . . 105 GLU N . 17390 1 1312 . 1 . 1 106 106 VAL H H 1 8.465 0.020 . 1 . . . . . 106 VAL H . 17390 1 1313 . 1 . 1 106 106 VAL HA H 1 4.904 0.020 . 1 . . . . . 106 VAL HA . 17390 1 1314 . 1 . 1 106 106 VAL HB H 1 2.042 0.020 . 1 . . . . . 106 VAL HB . 17390 1 1315 . 1 . 1 106 106 VAL HG11 H 1 0.805 0.020 . 2 . . . . . 106 VAL HG1 . 17390 1 1316 . 1 . 1 106 106 VAL HG12 H 1 0.805 0.020 . 2 . . . . . 106 VAL HG1 . 17390 1 1317 . 1 . 1 106 106 VAL HG13 H 1 0.805 0.020 . 2 . . . . . 106 VAL HG1 . 17390 1 1318 . 1 . 1 106 106 VAL HG21 H 1 1.005 0.020 . 2 . . . . . 106 VAL HG2 . 17390 1 1319 . 1 . 1 106 106 VAL HG22 H 1 1.005 0.020 . 2 . . . . . 106 VAL HG2 . 17390 1 1320 . 1 . 1 106 106 VAL HG23 H 1 1.005 0.020 . 2 . . . . . 106 VAL HG2 . 17390 1 1321 . 1 . 1 106 106 VAL CA C 13 60.414 0.400 . 1 . . . . . 106 VAL CA . 17390 1 1322 . 1 . 1 106 106 VAL CB C 13 34.782 0.400 . 1 . . . . . 106 VAL CB . 17390 1 1323 . 1 . 1 106 106 VAL CG1 C 13 21.490 0.400 . 1 . . . . . 106 VAL CG1 . 17390 1 1324 . 1 . 1 106 106 VAL CG2 C 13 22.794 0.400 . 1 . . . . . 106 VAL CG2 . 17390 1 1325 . 1 . 1 106 106 VAL N N 15 119.784 0.400 . 1 . . . . . 106 VAL N . 17390 1 1326 . 1 . 1 107 107 PHE H H 1 9.049 0.020 . 1 . . . . . 107 PHE H . 17390 1 1327 . 1 . 1 107 107 PHE HA H 1 5.049 0.020 . 1 . . . . . 107 PHE HA . 17390 1 1328 . 1 . 1 107 107 PHE HB2 H 1 2.993 0.020 . 2 . . . . . 107 PHE HB2 . 17390 1 1329 . 1 . 1 107 107 PHE HB3 H 1 2.578 0.020 . 2 . . . . . 107 PHE HB3 . 17390 1 1330 . 1 . 1 107 107 PHE HD1 H 1 6.972 0.020 . 1 . . . . . 107 PHE HD1 . 17390 1 1331 . 1 . 1 107 107 PHE HD2 H 1 6.972 0.020 . 1 . . . . . 107 PHE HD2 . 17390 1 1332 . 1 . 1 107 107 PHE HE1 H 1 7.153 0.020 . 1 . . . . . 107 PHE HE1 . 17390 1 1333 . 1 . 1 107 107 PHE HE2 H 1 7.153 0.020 . 1 . . . . . 107 PHE HE2 . 17390 1 1334 . 1 . 1 107 107 PHE HZ H 1 7.180 0.020 . 1 . . . . . 107 PHE HZ . 17390 1 1335 . 1 . 1 107 107 PHE CA C 13 56.465 0.400 . 1 . . . . . 107 PHE CA . 17390 1 1336 . 1 . 1 107 107 PHE CB C 13 40.695 0.400 . 1 . . . . . 107 PHE CB . 17390 1 1337 . 1 . 1 107 107 PHE CD1 C 13 131.672 0.400 . 1 . . . . . 107 PHE CD1 . 17390 1 1338 . 1 . 1 107 107 PHE CD2 C 13 131.789 0.400 . 1 . . . . . 107 PHE CD2 . 17390 1 1339 . 1 . 1 107 107 PHE CE1 C 13 130.956 0.400 . 1 . . . . . 107 PHE CE1 . 17390 1 1340 . 1 . 1 107 107 PHE CE2 C 13 131.086 0.400 . 1 . . . . . 107 PHE CE2 . 17390 1 1341 . 1 . 1 107 107 PHE CZ C 13 129.186 0.400 . 1 . . . . . 107 PHE CZ . 17390 1 1342 . 1 . 1 107 107 PHE N N 15 131.546 0.400 . 1 . . . . . 107 PHE N . 17390 1 1343 . 1 . 1 108 108 VAL H H 1 8.809 0.020 . 1 . . . . . 108 VAL H . 17390 1 1344 . 1 . 1 108 108 VAL HA H 1 4.873 0.020 . 1 . . . . . 108 VAL HA . 17390 1 1345 . 1 . 1 108 108 VAL HB H 1 1.982 0.020 . 1 . . . . . 108 VAL HB . 17390 1 1346 . 1 . 1 108 108 VAL HG11 H 1 0.737 0.020 . 2 . . . . . 108 VAL HG1 . 17390 1 1347 . 1 . 1 108 108 VAL HG12 H 1 0.737 0.020 . 2 . . . . . 108 VAL HG1 . 17390 1 1348 . 1 . 1 108 108 VAL HG13 H 1 0.737 0.020 . 2 . . . . . 108 VAL HG1 . 17390 1 1349 . 1 . 1 108 108 VAL HG21 H 1 0.844 0.020 . 2 . . . . . 108 VAL HG2 . 17390 1 1350 . 1 . 1 108 108 VAL HG22 H 1 0.844 0.020 . 2 . . . . . 108 VAL HG2 . 17390 1 1351 . 1 . 1 108 108 VAL HG23 H 1 0.844 0.020 . 2 . . . . . 108 VAL HG2 . 17390 1 1352 . 1 . 1 108 108 VAL CA C 13 59.867 0.400 . 1 . . . . . 108 VAL CA . 17390 1 1353 . 1 . 1 108 108 VAL CB C 13 34.173 0.400 . 1 . . . . . 108 VAL CB . 17390 1 1354 . 1 . 1 108 108 VAL CG1 C 13 20.533 0.400 . 1 . . . . . 108 VAL CG1 . 17390 1 1355 . 1 . 1 108 108 VAL CG2 C 13 21.317 0.400 . 1 . . . . . 108 VAL CG2 . 17390 1 1356 . 1 . 1 108 108 VAL N N 15 124.378 0.400 . 1 . . . . . 108 VAL N . 17390 1 1357 . 1 . 1 109 109 VAL H H 1 9.080 0.020 . 1 . . . . . 109 VAL H . 17390 1 1358 . 1 . 1 109 109 VAL HA H 1 4.990 0.020 . 1 . . . . . 109 VAL HA . 17390 1 1359 . 1 . 1 109 109 VAL HB H 1 1.948 0.020 . 1 . . . . . 109 VAL HB . 17390 1 1360 . 1 . 1 109 109 VAL HG11 H 1 0.864 0.020 . 2 . . . . . 109 VAL HG1 . 17390 1 1361 . 1 . 1 109 109 VAL HG12 H 1 0.864 0.020 . 2 . . . . . 109 VAL HG1 . 17390 1 1362 . 1 . 1 109 109 VAL HG13 H 1 0.864 0.020 . 2 . . . . . 109 VAL HG1 . 17390 1 1363 . 1 . 1 109 109 VAL HG21 H 1 0.727 0.020 . 2 . . . . . 109 VAL HG2 . 17390 1 1364 . 1 . 1 109 109 VAL HG22 H 1 0.727 0.020 . 2 . . . . . 109 VAL HG2 . 17390 1 1365 . 1 . 1 109 109 VAL HG23 H 1 0.727 0.020 . 2 . . . . . 109 VAL HG2 . 17390 1 1366 . 1 . 1 109 109 VAL CA C 13 60.481 0.400 . 1 . . . . . 109 VAL CA . 17390 1 1367 . 1 . 1 109 109 VAL CB C 13 32.851 0.400 . 1 . . . . . 109 VAL CB . 17390 1 1368 . 1 . 1 109 109 VAL CG1 C 13 22.275 0.400 . 1 . . . . . 109 VAL CG1 . 17390 1 1369 . 1 . 1 109 109 VAL CG2 C 13 21.047 0.400 . 1 . . . . . 109 VAL CG2 . 17390 1 1370 . 1 . 1 109 109 VAL N N 15 126.696 0.400 . 1 . . . . . 109 VAL N . 17390 1 1371 . 1 . 1 110 110 TYR H H 1 8.829 0.020 . 1 . . . . . 110 TYR H . 17390 1 1372 . 1 . 1 110 110 TYR HA H 1 5.122 0.020 . 1 . . . . . 110 TYR HA . 17390 1 1373 . 1 . 1 110 110 TYR HB2 H 1 2.636 0.020 . 2 . . . . . 110 TYR HB2 . 17390 1 1374 . 1 . 1 110 110 TYR HB3 H 1 2.928 0.020 . 2 . . . . . 110 TYR HB3 . 17390 1 1375 . 1 . 1 110 110 TYR HD1 H 1 6.844 0.020 . 1 . . . . . 110 TYR HD1 . 17390 1 1376 . 1 . 1 110 110 TYR HD2 H 1 6.844 0.020 . 1 . . . . . 110 TYR HD2 . 17390 1 1377 . 1 . 1 110 110 TYR HE1 H 1 6.589 0.020 . 1 . . . . . 110 TYR HE1 . 17390 1 1378 . 1 . 1 110 110 TYR HE2 H 1 6.589 0.020 . 1 . . . . . 110 TYR HE2 . 17390 1 1379 . 1 . 1 110 110 TYR CA C 13 55.488 0.400 . 1 . . . . . 110 TYR CA . 17390 1 1380 . 1 . 1 110 110 TYR CB C 13 40.556 0.400 . 1 . . . . . 110 TYR CB . 17390 1 1381 . 1 . 1 110 110 TYR CD1 C 13 132.245 0.400 . 1 . . . . . 110 TYR CD1 . 17390 1 1382 . 1 . 1 110 110 TYR CD2 C 13 132.236 0.400 . 1 . . . . . 110 TYR CD2 . 17390 1 1383 . 1 . 1 110 110 TYR CE1 C 13 118.141 0.400 . 1 . . . . . 110 TYR CE1 . 17390 1 1384 . 1 . 1 110 110 TYR CE2 C 13 117.910 0.400 . 1 . . . . . 110 TYR CE2 . 17390 1 1385 . 1 . 1 110 110 TYR N N 15 127.074 0.400 . 1 . . . . . 110 TYR N . 17390 1 1386 . 1 . 1 111 111 ASN H H 1 8.513 0.020 . 1 . . . . . 111 ASN H . 17390 1 1387 . 1 . 1 111 111 ASN HA H 1 5.355 0.020 . 1 . . . . . 111 ASN HA . 17390 1 1388 . 1 . 1 111 111 ASN HB2 H 1 2.203 0.020 . 2 . . . . . 111 ASN HB2 . 17390 1 1389 . 1 . 1 111 111 ASN HB3 H 1 2.857 0.020 . 2 . . . . . 111 ASN HB3 . 17390 1 1390 . 1 . 1 111 111 ASN HD21 H 1 6.937 0.020 . 2 . . . . . 111 ASN HD21 . 17390 1 1391 . 1 . 1 111 111 ASN HD22 H 1 6.651 0.020 . 2 . . . . . 111 ASN HD22 . 17390 1 1392 . 1 . 1 111 111 ASN CA C 13 50.638 0.400 . 1 . . . . . 111 ASN CA . 17390 1 1393 . 1 . 1 111 111 ASN CB C 13 41.170 0.400 . 1 . . . . . 111 ASN CB . 17390 1 1394 . 1 . 1 111 111 ASN N N 15 125.445 0.400 . 1 . . . . . 111 ASN N . 17390 1 1395 . 1 . 1 111 111 ASN ND2 N 15 107.679 0.400 . 1 . . . . . 111 ASN ND2 . 17390 1 1396 . 1 . 1 112 112 ASN H H 1 7.872 0.020 . 1 . . . . . 112 ASN H . 17390 1 1397 . 1 . 1 112 112 ASN HA H 1 4.505 0.020 . 1 . . . . . 112 ASN HA . 17390 1 1398 . 1 . 1 112 112 ASN HB2 H 1 2.339 0.020 . 2 . . . . . 112 ASN HB2 . 17390 1 1399 . 1 . 1 112 112 ASN HB3 H 1 2.342 0.020 . 2 . . . . . 112 ASN HB3 . 17390 1 1400 . 1 . 1 112 112 ASN HD21 H 1 7.220 0.020 . 2 . . . . . 112 ASN HD21 . 17390 1 1401 . 1 . 1 112 112 ASN HD22 H 1 7.019 0.020 . 2 . . . . . 112 ASN HD22 . 17390 1 1402 . 1 . 1 112 112 ASN CA C 13 53.262 0.400 . 1 . . . . . 112 ASN CA . 17390 1 1403 . 1 . 1 112 112 ASN CB C 13 41.627 0.400 . 1 . . . . . 112 ASN CB . 17390 1 1404 . 1 . 1 112 112 ASN N N 15 123.225 0.400 . 1 . . . . . 112 ASN N . 17390 1 1405 . 1 . 1 112 112 ASN ND2 N 15 112.854 0.400 . 1 . . . . . 112 ASN ND2 . 17390 1 1406 . 1 . 1 113 113 LYS H H 1 8.775 0.020 . 1 . . . . . 113 LYS H . 17390 1 1407 . 1 . 1 113 113 LYS HA H 1 4.204 0.020 . 1 . . . . . 113 LYS HA . 17390 1 1408 . 1 . 1 113 113 LYS HB2 H 1 1.868 0.020 . 2 . . . . . 113 LYS HB2 . 17390 1 1409 . 1 . 1 113 113 LYS HB3 H 1 1.908 0.020 . 2 . . . . . 113 LYS HB3 . 17390 1 1410 . 1 . 1 113 113 LYS HG2 H 1 1.497 0.020 . 2 . . . . . 113 LYS HG2 . 17390 1 1411 . 1 . 1 113 113 LYS HG3 H 1 1.498 0.020 . 2 . . . . . 113 LYS HG3 . 17390 1 1412 . 1 . 1 113 113 LYS HD2 H 1 1.722 0.020 . 2 . . . . . 113 LYS HD2 . 17390 1 1413 . 1 . 1 113 113 LYS HD3 H 1 1.722 0.020 . 2 . . . . . 113 LYS HD3 . 17390 1 1414 . 1 . 1 113 113 LYS HE2 H 1 3.032 0.020 . 2 . . . . . 113 LYS HE2 . 17390 1 1415 . 1 . 1 113 113 LYS HE3 H 1 3.037 0.020 . 2 . . . . . 113 LYS HE3 . 17390 1 1416 . 1 . 1 113 113 LYS CA C 13 57.642 0.400 . 1 . . . . . 113 LYS CA . 17390 1 1417 . 1 . 1 113 113 LYS CB C 13 32.426 0.400 . 1 . . . . . 113 LYS CB . 17390 1 1418 . 1 . 1 113 113 LYS CG C 13 24.554 0.400 . 1 . . . . . 113 LYS CG . 17390 1 1419 . 1 . 1 113 113 LYS CD C 13 28.957 0.400 . 1 . . . . . 113 LYS CD . 17390 1 1420 . 1 . 1 113 113 LYS CE C 13 41.766 0.400 . 1 . . . . . 113 LYS CE . 17390 1 1421 . 1 . 1 113 113 LYS N N 15 125.465 0.400 . 1 . . . . . 113 LYS N . 17390 1 1422 . 1 . 1 114 114 ASP H H 1 8.660 0.020 . 1 . . . . . 114 ASP H . 17390 1 1423 . 1 . 1 114 114 ASP HA H 1 4.683 0.020 . 1 . . . . . 114 ASP HA . 17390 1 1424 . 1 . 1 114 114 ASP HB2 H 1 2.791 0.020 . 2 . . . . . 114 ASP HB2 . 17390 1 1425 . 1 . 1 114 114 ASP HB3 H 1 2.579 0.020 . 2 . . . . . 114 ASP HB3 . 17390 1 1426 . 1 . 1 114 114 ASP CA C 13 54.000 0.400 . 1 . . . . . 114 ASP CA . 17390 1 1427 . 1 . 1 114 114 ASP CB C 13 42.188 0.400 . 1 . . . . . 114 ASP CB . 17390 1 1428 . 1 . 1 114 114 ASP N N 15 121.513 0.400 . 1 . . . . . 114 ASP N . 17390 1 1429 . 1 . 1 115 115 ASP H H 1 8.671 0.020 . 1 . . . . . 115 ASP H . 17390 1 1430 . 1 . 1 115 115 ASP HA H 1 4.259 0.020 . 1 . . . . . 115 ASP HA . 17390 1 1431 . 1 . 1 115 115 ASP HB2 H 1 2.704 0.020 . 2 . . . . . 115 ASP HB2 . 17390 1 1432 . 1 . 1 115 115 ASP HB3 H 1 2.704 0.020 . 2 . . . . . 115 ASP HB3 . 17390 1 1433 . 1 . 1 115 115 ASP CA C 13 56.555 0.400 . 1 . . . . . 115 ASP CA . 17390 1 1434 . 1 . 1 115 115 ASP CB C 13 41.337 0.400 . 1 . . . . . 115 ASP CB . 17390 1 1435 . 1 . 1 115 115 ASP N N 15 125.873 0.400 . 1 . . . . . 115 ASP N . 17390 1 1436 . 1 . 1 116 116 ASP H H 1 8.387 0.020 . 1 . . . . . 116 ASP H . 17390 1 1437 . 1 . 1 116 116 ASP HA H 1 4.451 0.020 . 1 . . . . . 116 ASP HA . 17390 1 1438 . 1 . 1 116 116 ASP HB2 H 1 2.787 0.020 . 2 . . . . . 116 ASP HB2 . 17390 1 1439 . 1 . 1 116 116 ASP HB3 H 1 2.662 0.020 . 2 . . . . . 116 ASP HB3 . 17390 1 1440 . 1 . 1 116 116 ASP CA C 13 56.554 0.400 . 1 . . . . . 116 ASP CA . 17390 1 1441 . 1 . 1 116 116 ASP CB C 13 40.028 0.400 . 1 . . . . . 116 ASP CB . 17390 1 1442 . 1 . 1 116 116 ASP N N 15 119.627 0.400 . 1 . . . . . 116 ASP N . 17390 1 1443 . 1 . 1 117 117 ARG H H 1 8.127 0.020 . 1 . . . . . 117 ARG H . 17390 1 1444 . 1 . 1 117 117 ARG HA H 1 4.219 0.020 . 1 . . . . . 117 ARG HA . 17390 1 1445 . 1 . 1 117 117 ARG HB2 H 1 1.891 0.020 . 2 . . . . . 117 ARG HB2 . 17390 1 1446 . 1 . 1 117 117 ARG HB3 H 1 2.124 0.020 . 2 . . . . . 117 ARG HB3 . 17390 1 1447 . 1 . 1 117 117 ARG HG2 H 1 1.774 0.020 . 2 . . . . . 117 ARG HG2 . 17390 1 1448 . 1 . 1 117 117 ARG HG3 H 1 1.773 0.020 . 2 . . . . . 117 ARG HG3 . 17390 1 1449 . 1 . 1 117 117 ARG HD2 H 1 3.260 0.020 . 2 . . . . . 117 ARG HD2 . 17390 1 1450 . 1 . 1 117 117 ARG HD3 H 1 3.260 0.020 . 2 . . . . . 117 ARG HD3 . 17390 1 1451 . 1 . 1 117 117 ARG CA C 13 57.356 0.400 . 1 . . . . . 117 ARG CA . 17390 1 1452 . 1 . 1 117 117 ARG CB C 13 29.800 0.400 . 1 . . . . . 117 ARG CB . 17390 1 1453 . 1 . 1 117 117 ARG CG C 13 26.502 0.400 . 1 . . . . . 117 ARG CG . 17390 1 1454 . 1 . 1 117 117 ARG CD C 13 42.385 0.400 . 1 . . . . . 117 ARG CD . 17390 1 1455 . 1 . 1 117 117 ARG N N 15 119.806 0.400 . 1 . . . . . 117 ARG N . 17390 1 1456 . 1 . 1 118 118 ARG H H 1 8.031 0.020 . 1 . . . . . 118 ARG H . 17390 1 1457 . 1 . 1 118 118 ARG HA H 1 4.117 0.020 . 1 . . . . . 118 ARG HA . 17390 1 1458 . 1 . 1 118 118 ARG HB2 H 1 1.918 0.020 . 2 . . . . . 118 ARG HB2 . 17390 1 1459 . 1 . 1 118 118 ARG HB3 H 1 2.100 0.020 . 2 . . . . . 118 ARG HB3 . 17390 1 1460 . 1 . 1 118 118 ARG HG2 H 1 1.393 0.020 . 2 . . . . . 118 ARG HG2 . 17390 1 1461 . 1 . 1 118 118 ARG HG3 H 1 1.368 0.020 . 2 . . . . . 118 ARG HG3 . 17390 1 1462 . 1 . 1 118 118 ARG HD2 H 1 3.091 0.020 . 2 . . . . . 118 ARG HD2 . 17390 1 1463 . 1 . 1 118 118 ARG HD3 H 1 3.572 0.020 . 2 . . . . . 118 ARG HD3 . 17390 1 1464 . 1 . 1 118 118 ARG CA C 13 60.000 0.400 . 1 . . . . . 118 ARG CA . 17390 1 1465 . 1 . 1 118 118 ARG CB C 13 29.682 0.400 . 1 . . . . . 118 ARG CB . 17390 1 1466 . 1 . 1 118 118 ARG CG C 13 28.820 0.400 . 1 . . . . . 118 ARG CG . 17390 1 1467 . 1 . 1 118 118 ARG CD C 13 43.100 0.400 . 1 . . . . . 118 ARG CD . 17390 1 1468 . 1 . 1 118 118 ARG N N 15 118.741 0.400 . 1 . . . . . 118 ARG N . 17390 1 1469 . 1 . 1 119 119 LYS HA H 1 4.045 0.020 . 1 . . . . . 119 LYS HA . 17390 1 1470 . 1 . 1 119 119 LYS HB2 H 1 1.899 0.020 . 2 . . . . . 119 LYS HB2 . 17390 1 1471 . 1 . 1 119 119 LYS HB3 H 1 1.898 0.020 . 2 . . . . . 119 LYS HB3 . 17390 1 1472 . 1 . 1 119 119 LYS HG2 H 1 1.573 0.020 . 2 . . . . . 119 LYS HG2 . 17390 1 1473 . 1 . 1 119 119 LYS HG3 H 1 1.412 0.020 . 2 . . . . . 119 LYS HG3 . 17390 1 1474 . 1 . 1 119 119 LYS HD2 H 1 1.702 0.020 . 2 . . . . . 119 LYS HD2 . 17390 1 1475 . 1 . 1 119 119 LYS HD3 H 1 1.701 0.020 . 2 . . . . . 119 LYS HD3 . 17390 1 1476 . 1 . 1 119 119 LYS HE2 H 1 2.979 0.020 . 2 . . . . . 119 LYS HE2 . 17390 1 1477 . 1 . 1 119 119 LYS HE3 H 1 2.979 0.020 . 2 . . . . . 119 LYS HE3 . 17390 1 1478 . 1 . 1 119 119 LYS CA C 13 58.748 0.400 . 1 . . . . . 119 LYS CA . 17390 1 1479 . 1 . 1 119 119 LYS CB C 13 31.936 0.400 . 1 . . . . . 119 LYS CB . 17390 1 1480 . 1 . 1 119 119 LYS CG C 13 24.892 0.400 . 1 . . . . . 119 LYS CG . 17390 1 1481 . 1 . 1 119 119 LYS CD C 13 29.048 0.400 . 1 . . . . . 119 LYS CD . 17390 1 1482 . 1 . 1 119 119 LYS CE C 13 41.774 0.400 . 1 . . . . . 119 LYS CE . 17390 1 1483 . 1 . 1 120 120 GLU H H 1 8.129 0.020 . 1 . . . . . 120 GLU H . 17390 1 1484 . 1 . 1 120 120 GLU HA H 1 4.035 0.020 . 1 . . . . . 120 GLU HA . 17390 1 1485 . 1 . 1 120 120 GLU HB2 H 1 1.970 0.020 . 2 . . . . . 120 GLU HB2 . 17390 1 1486 . 1 . 1 120 120 GLU HB3 H 1 2.034 0.020 . 2 . . . . . 120 GLU HB3 . 17390 1 1487 . 1 . 1 120 120 GLU HG2 H 1 2.359 0.020 . 2 . . . . . 120 GLU HG2 . 17390 1 1488 . 1 . 1 120 120 GLU HG3 H 1 2.160 0.020 . 2 . . . . . 120 GLU HG3 . 17390 1 1489 . 1 . 1 120 120 GLU CA C 13 58.213 0.400 . 1 . . . . . 120 GLU CA . 17390 1 1490 . 1 . 1 120 120 GLU CB C 13 29.564 0.400 . 1 . . . . . 120 GLU CB . 17390 1 1491 . 1 . 1 120 120 GLU CG C 13 35.879 0.400 . 1 . . . . . 120 GLU CG . 17390 1 1492 . 1 . 1 120 120 GLU N N 15 119.256 0.400 . 1 . . . . . 120 GLU N . 17390 1 1493 . 1 . 1 121 121 ALA H H 1 7.874 0.020 . 1 . . . . . 121 ALA H . 17390 1 1494 . 1 . 1 121 121 ALA HA H 1 3.792 0.020 . 1 . . . . . 121 ALA HA . 17390 1 1495 . 1 . 1 121 121 ALA HB1 H 1 1.032 0.020 . 1 . . . . . 121 ALA HB . 17390 1 1496 . 1 . 1 121 121 ALA HB2 H 1 1.032 0.020 . 1 . . . . . 121 ALA HB . 17390 1 1497 . 1 . 1 121 121 ALA HB3 H 1 1.032 0.020 . 1 . . . . . 121 ALA HB . 17390 1 1498 . 1 . 1 121 121 ALA CA C 13 54.047 0.400 . 1 . . . . . 121 ALA CA . 17390 1 1499 . 1 . 1 121 121 ALA CB C 13 17.640 0.400 . 1 . . . . . 121 ALA CB . 17390 1 1500 . 1 . 1 121 121 ALA N N 15 121.658 0.400 . 1 . . . . . 121 ALA N . 17390 1 1501 . 1 . 1 122 122 GLN H H 1 7.813 0.020 . 1 . . . . . 122 GLN H . 17390 1 1502 . 1 . 1 122 122 GLN HA H 1 3.912 0.020 . 1 . . . . . 122 GLN HA . 17390 1 1503 . 1 . 1 122 122 GLN HB2 H 1 2.138 0.020 . 2 . . . . . 122 GLN HB2 . 17390 1 1504 . 1 . 1 122 122 GLN HB3 H 1 2.137 0.020 . 2 . . . . . 122 GLN HB3 . 17390 1 1505 . 1 . 1 122 122 GLN HG2 H 1 2.376 0.020 . 2 . . . . . 122 GLN HG2 . 17390 1 1506 . 1 . 1 122 122 GLN HG3 H 1 2.488 0.020 . 2 . . . . . 122 GLN HG3 . 17390 1 1507 . 1 . 1 122 122 GLN HE21 H 1 7.469 0.020 . 2 . . . . . 122 GLN HE21 . 17390 1 1508 . 1 . 1 122 122 GLN HE22 H 1 6.918 0.020 . 2 . . . . . 122 GLN HE22 . 17390 1 1509 . 1 . 1 122 122 GLN CA C 13 57.961 0.400 . 1 . . . . . 122 GLN CA . 17390 1 1510 . 1 . 1 122 122 GLN CB C 13 28.695 0.400 . 1 . . . . . 122 GLN CB . 17390 1 1511 . 1 . 1 122 122 GLN CG C 13 33.879 0.400 . 1 . . . . . 122 GLN CG . 17390 1 1512 . 1 . 1 122 122 GLN N N 15 115.417 0.400 . 1 . . . . . 122 GLN N . 17390 1 1513 . 1 . 1 122 122 GLN NE2 N 15 111.614 0.400 . 1 . . . . . 122 GLN NE2 . 17390 1 1514 . 1 . 1 123 123 GLN H H 1 7.750 0.020 . 1 . . . . . 123 GLN H . 17390 1 1515 . 1 . 1 123 123 GLN HA H 1 4.140 0.020 . 1 . . . . . 123 GLN HA . 17390 1 1516 . 1 . 1 123 123 GLN HB2 H 1 2.064 0.020 . 2 . . . . . 123 GLN HB2 . 17390 1 1517 . 1 . 1 123 123 GLN HB3 H 1 2.064 0.020 . 2 . . . . . 123 GLN HB3 . 17390 1 1518 . 1 . 1 123 123 GLN HG2 H 1 2.390 0.020 . 2 . . . . . 123 GLN HG2 . 17390 1 1519 . 1 . 1 123 123 GLN HG3 H 1 2.393 0.020 . 2 . . . . . 123 GLN HG3 . 17390 1 1520 . 1 . 1 123 123 GLN HE21 H 1 7.461 0.020 . 2 . . . . . 123 GLN HE21 . 17390 1 1521 . 1 . 1 123 123 GLN HE22 H 1 6.815 0.020 . 2 . . . . . 123 GLN HE22 . 17390 1 1522 . 1 . 1 123 123 GLN CA C 13 56.938 0.400 . 1 . . . . . 123 GLN CA . 17390 1 1523 . 1 . 1 123 123 GLN CB C 13 28.909 0.400 . 1 . . . . . 123 GLN CB . 17390 1 1524 . 1 . 1 123 123 GLN CG C 13 33.611 0.400 . 1 . . . . . 123 GLN CG . 17390 1 1525 . 1 . 1 123 123 GLN N N 15 116.531 0.400 . 1 . . . . . 123 GLN N . 17390 1 1526 . 1 . 1 123 123 GLN NE2 N 15 111.594 0.400 . 1 . . . . . 123 GLN NE2 . 17390 1 1527 . 1 . 1 124 124 GLU H H 1 8.239 0.020 . 1 . . . . . 124 GLU H . 17390 1 1528 . 1 . 1 124 124 GLU HA H 1 3.962 0.020 . 1 . . . . . 124 GLU HA . 17390 1 1529 . 1 . 1 124 124 GLU HB2 H 1 1.303 0.020 . 2 . . . . . 124 GLU HB2 . 17390 1 1530 . 1 . 1 124 124 GLU HB3 H 1 1.528 0.020 . 2 . . . . . 124 GLU HB3 . 17390 1 1531 . 1 . 1 124 124 GLU HG2 H 1 1.762 0.020 . 2 . . . . . 124 GLU HG2 . 17390 1 1532 . 1 . 1 124 124 GLU HG3 H 1 1.910 0.020 . 2 . . . . . 124 GLU HG3 . 17390 1 1533 . 1 . 1 124 124 GLU CA C 13 57.694 0.400 . 1 . . . . . 124 GLU CA . 17390 1 1534 . 1 . 1 124 124 GLU CB C 13 29.721 0.400 . 1 . . . . . 124 GLU CB . 17390 1 1535 . 1 . 1 124 124 GLU CG C 13 35.719 0.400 . 1 . . . . . 124 GLU CG . 17390 1 1536 . 1 . 1 124 124 GLU N N 15 118.712 0.400 . 1 . . . . . 124 GLU N . 17390 1 1537 . 1 . 1 125 125 PHE H H 1 7.631 0.020 . 1 . . . . . 125 PHE H . 17390 1 1538 . 1 . 1 125 125 PHE HA H 1 4.755 0.020 . 1 . . . . . 125 PHE HA . 17390 1 1539 . 1 . 1 125 125 PHE HB2 H 1 3.131 0.020 . 2 . . . . . 125 PHE HB2 . 17390 1 1540 . 1 . 1 125 125 PHE HB3 H 1 2.811 0.020 . 2 . . . . . 125 PHE HB3 . 17390 1 1541 . 1 . 1 125 125 PHE HD1 H 1 7.114 0.020 . 1 . . . . . 125 PHE HD1 . 17390 1 1542 . 1 . 1 125 125 PHE HD2 H 1 7.114 0.020 . 1 . . . . . 125 PHE HD2 . 17390 1 1543 . 1 . 1 125 125 PHE HE1 H 1 6.959 0.020 . 1 . . . . . 125 PHE HE1 . 17390 1 1544 . 1 . 1 125 125 PHE HE2 H 1 6.959 0.020 . 1 . . . . . 125 PHE HE2 . 17390 1 1545 . 1 . 1 125 125 PHE HZ H 1 7.035 0.020 . 1 . . . . . 125 PHE HZ . 17390 1 1546 . 1 . 1 125 125 PHE CA C 13 56.546 0.400 . 1 . . . . . 125 PHE CA . 17390 1 1547 . 1 . 1 125 125 PHE CB C 13 38.582 0.400 . 1 . . . . . 125 PHE CB . 17390 1 1548 . 1 . 1 125 125 PHE CD1 C 13 131.380 0.400 . 1 . . . . . 125 PHE CD1 . 17390 1 1549 . 1 . 1 125 125 PHE CD2 C 13 131.412 0.400 . 1 . . . . . 125 PHE CD2 . 17390 1 1550 . 1 . 1 125 125 PHE CE1 C 13 130.336 0.400 . 1 . . . . . 125 PHE CE1 . 17390 1 1551 . 1 . 1 125 125 PHE CE2 C 13 130.413 0.400 . 1 . . . . . 125 PHE CE2 . 17390 1 1552 . 1 . 1 125 125 PHE CZ C 13 129.231 0.400 . 1 . . . . . 125 PHE CZ . 17390 1 1553 . 1 . 1 125 125 PHE N N 15 114.852 0.400 . 1 . . . . . 125 PHE N . 17390 1 1554 . 1 . 1 126 126 ARG H H 1 7.362 0.020 . 1 . . . . . 126 ARG H . 17390 1 1555 . 1 . 1 126 126 ARG HA H 1 4.346 0.020 . 1 . . . . . 126 ARG HA . 17390 1 1556 . 1 . 1 126 126 ARG HB2 H 1 1.930 0.020 . 2 . . . . . 126 ARG HB2 . 17390 1 1557 . 1 . 1 126 126 ARG HB3 H 1 1.892 0.020 . 2 . . . . . 126 ARG HB3 . 17390 1 1558 . 1 . 1 126 126 ARG HG2 H 1 1.813 0.020 . 2 . . . . . 126 ARG HG2 . 17390 1 1559 . 1 . 1 126 126 ARG HG3 H 1 1.680 0.020 . 2 . . . . . 126 ARG HG3 . 17390 1 1560 . 1 . 1 126 126 ARG HD2 H 1 3.282 0.020 . 2 . . . . . 126 ARG HD2 . 17390 1 1561 . 1 . 1 126 126 ARG HD3 H 1 3.282 0.020 . 2 . . . . . 126 ARG HD3 . 17390 1 1562 . 1 . 1 126 126 ARG CA C 13 57.138 0.400 . 1 . . . . . 126 ARG CA . 17390 1 1563 . 1 . 1 126 126 ARG CB C 13 30.083 0.400 . 1 . . . . . 126 ARG CB . 17390 1 1564 . 1 . 1 126 126 ARG CG C 13 27.074 0.400 . 1 . . . . . 126 ARG CG . 17390 1 1565 . 1 . 1 126 126 ARG CD C 13 42.840 0.400 . 1 . . . . . 126 ARG CD . 17390 1 1566 . 1 . 1 126 126 ARG N N 15 119.676 0.400 . 1 . . . . . 126 ARG N . 17390 1 1567 . 1 . 1 127 127 SER H H 1 8.344 0.020 . 1 . . . . . 127 SER H . 17390 1 1568 . 1 . 1 127 127 SER HA H 1 4.532 0.020 . 1 . . . . . 127 SER HA . 17390 1 1569 . 1 . 1 127 127 SER HB2 H 1 3.946 0.020 . 2 . . . . . 127 SER HB2 . 17390 1 1570 . 1 . 1 127 127 SER HB3 H 1 3.800 0.020 . 2 . . . . . 127 SER HB3 . 17390 1 1571 . 1 . 1 127 127 SER CA C 13 57.713 0.400 . 1 . . . . . 127 SER CA . 17390 1 1572 . 1 . 1 127 127 SER CB C 13 63.806 0.400 . 1 . . . . . 127 SER CB . 17390 1 1573 . 1 . 1 127 127 SER N N 15 118.562 0.400 . 1 . . . . . 127 SER N . 17390 1 1574 . 1 . 1 128 128 ASP H H 1 8.469 0.020 . 1 . . . . . 128 ASP H . 17390 1 1575 . 1 . 1 128 128 ASP HA H 1 4.530 0.020 . 1 . . . . . 128 ASP HA . 17390 1 1576 . 1 . 1 128 128 ASP HB2 H 1 2.698 0.020 . 2 . . . . . 128 ASP HB2 . 17390 1 1577 . 1 . 1 128 128 ASP HB3 H 1 2.622 0.020 . 2 . . . . . 128 ASP HB3 . 17390 1 1578 . 1 . 1 128 128 ASP CA C 13 55.894 0.400 . 1 . . . . . 128 ASP CA . 17390 1 1579 . 1 . 1 128 128 ASP CB C 13 40.076 0.400 . 1 . . . . . 128 ASP CB . 17390 1 1580 . 1 . 1 128 128 ASP N N 15 121.409 0.400 . 1 . . . . . 128 ASP N . 17390 1 1581 . 1 . 1 129 129 GLY H H 1 8.715 0.020 . 1 . . . . . 129 GLY H . 17390 1 1582 . 1 . 1 129 129 GLY HA2 H 1 3.859 0.020 . 2 . . . . . 129 GLY HA2 . 17390 1 1583 . 1 . 1 129 129 GLY HA3 H 1 4.131 0.020 . 2 . . . . . 129 GLY HA3 . 17390 1 1584 . 1 . 1 129 129 GLY CA C 13 45.692 0.400 . 1 . . . . . 129 GLY CA . 17390 1 1585 . 1 . 1 129 129 GLY N N 15 111.569 0.400 . 1 . . . . . 129 GLY N . 17390 1 1586 . 1 . 1 130 130 VAL H H 1 7.806 0.020 . 1 . . . . . 130 VAL H . 17390 1 1587 . 1 . 1 130 130 VAL HA H 1 4.714 0.020 . 1 . . . . . 130 VAL HA . 17390 1 1588 . 1 . 1 130 130 VAL HB H 1 2.115 0.020 . 1 . . . . . 130 VAL HB . 17390 1 1589 . 1 . 1 130 130 VAL HG11 H 1 0.859 0.020 . 2 . . . . . 130 VAL HG1 . 17390 1 1590 . 1 . 1 130 130 VAL HG12 H 1 0.859 0.020 . 2 . . . . . 130 VAL HG1 . 17390 1 1591 . 1 . 1 130 130 VAL HG13 H 1 0.859 0.020 . 2 . . . . . 130 VAL HG1 . 17390 1 1592 . 1 . 1 130 130 VAL HG21 H 1 0.794 0.020 . 2 . . . . . 130 VAL HG2 . 17390 1 1593 . 1 . 1 130 130 VAL HG22 H 1 0.794 0.020 . 2 . . . . . 130 VAL HG2 . 17390 1 1594 . 1 . 1 130 130 VAL HG23 H 1 0.794 0.020 . 2 . . . . . 130 VAL HG2 . 17390 1 1595 . 1 . 1 130 130 VAL CA C 13 61.211 0.400 . 1 . . . . . 130 VAL CA . 17390 1 1596 . 1 . 1 130 130 VAL CB C 13 34.267 0.400 . 1 . . . . . 130 VAL CB . 17390 1 1597 . 1 . 1 130 130 VAL CG1 C 13 21.229 0.400 . 1 . . . . . 130 VAL CG1 . 17390 1 1598 . 1 . 1 130 130 VAL CG2 C 13 21.472 0.400 . 1 . . . . . 130 VAL CG2 . 17390 1 1599 . 1 . 1 130 130 VAL N N 15 120.108 0.400 . 1 . . . . . 130 VAL N . 17390 1 1600 . 1 . 1 131 131 ASP H H 1 8.560 0.020 . 1 . . . . . 131 ASP H . 17390 1 1601 . 1 . 1 131 131 ASP HA H 1 4.919 0.020 . 1 . . . . . 131 ASP HA . 17390 1 1602 . 1 . 1 131 131 ASP HB2 H 1 2.634 0.020 . 2 . . . . . 131 ASP HB2 . 17390 1 1603 . 1 . 1 131 131 ASP HB3 H 1 2.430 0.020 . 2 . . . . . 131 ASP HB3 . 17390 1 1604 . 1 . 1 131 131 ASP CA C 13 52.928 0.400 . 1 . . . . . 131 ASP CA . 17390 1 1605 . 1 . 1 131 131 ASP CB C 13 43.122 0.400 . 1 . . . . . 131 ASP CB . 17390 1 1606 . 1 . 1 131 131 ASP N N 15 128.295 0.400 . 1 . . . . . 131 ASP N . 17390 1 1607 . 1 . 1 132 132 VAL H H 1 8.117 0.020 . 1 . . . . . 132 VAL H . 17390 1 1608 . 1 . 1 132 132 VAL HA H 1 4.731 0.020 . 1 . . . . . 132 VAL HA . 17390 1 1609 . 1 . 1 132 132 VAL HB H 1 1.905 0.020 . 1 . . . . . 132 VAL HB . 17390 1 1610 . 1 . 1 132 132 VAL HG11 H 1 0.728 0.020 . 2 . . . . . 132 VAL HG1 . 17390 1 1611 . 1 . 1 132 132 VAL HG12 H 1 0.728 0.020 . 2 . . . . . 132 VAL HG1 . 17390 1 1612 . 1 . 1 132 132 VAL HG13 H 1 0.728 0.020 . 2 . . . . . 132 VAL HG1 . 17390 1 1613 . 1 . 1 132 132 VAL HG21 H 1 0.738 0.020 . 2 . . . . . 132 VAL HG2 . 17390 1 1614 . 1 . 1 132 132 VAL HG22 H 1 0.738 0.020 . 2 . . . . . 132 VAL HG2 . 17390 1 1615 . 1 . 1 132 132 VAL HG23 H 1 0.738 0.020 . 2 . . . . . 132 VAL HG2 . 17390 1 1616 . 1 . 1 132 132 VAL CA C 13 60.208 0.400 . 1 . . . . . 132 VAL CA . 17390 1 1617 . 1 . 1 132 132 VAL CB C 13 33.791 0.400 . 1 . . . . . 132 VAL CB . 17390 1 1618 . 1 . 1 132 132 VAL CG1 C 13 20.774 0.400 . 1 . . . . . 132 VAL CG1 . 17390 1 1619 . 1 . 1 132 132 VAL CG2 C 13 20.591 0.400 . 1 . . . . . 132 VAL CG2 . 17390 1 1620 . 1 . 1 132 132 VAL N N 15 122.387 0.400 . 1 . . . . . 132 VAL N . 17390 1 1621 . 1 . 1 133 133 ARG H H 1 9.136 0.020 . 1 . . . . . 133 ARG H . 17390 1 1622 . 1 . 1 133 133 ARG HA H 1 4.873 0.020 . 1 . . . . . 133 ARG HA . 17390 1 1623 . 1 . 1 133 133 ARG HB2 H 1 1.821 0.020 . 2 . . . . . 133 ARG HB2 . 17390 1 1624 . 1 . 1 133 133 ARG HB3 H 1 1.816 0.020 . 2 . . . . . 133 ARG HB3 . 17390 1 1625 . 1 . 1 133 133 ARG HG2 H 1 1.694 0.020 . 2 . . . . . 133 ARG HG2 . 17390 1 1626 . 1 . 1 133 133 ARG HG3 H 1 1.492 0.020 . 2 . . . . . 133 ARG HG3 . 17390 1 1627 . 1 . 1 133 133 ARG HD2 H 1 3.287 0.020 . 2 . . . . . 133 ARG HD2 . 17390 1 1628 . 1 . 1 133 133 ARG HD3 H 1 3.219 0.020 . 2 . . . . . 133 ARG HD3 . 17390 1 1629 . 1 . 1 133 133 ARG CA C 13 52.856 0.400 . 1 . . . . . 133 ARG CA . 17390 1 1630 . 1 . 1 133 133 ARG CB C 13 31.125 0.400 . 1 . . . . . 133 ARG CB . 17390 1 1631 . 1 . 1 133 133 ARG CG C 13 26.578 0.400 . 1 . . . . . 133 ARG CG . 17390 1 1632 . 1 . 1 133 133 ARG CD C 13 42.202 0.400 . 1 . . . . . 133 ARG CD . 17390 1 1633 . 1 . 1 133 133 ARG N N 15 127.791 0.400 . 1 . . . . . 133 ARG N . 17390 1 1634 . 1 . 1 134 134 THR H H 1 8.753 0.020 . 1 . . . . . 134 THR H . 17390 1 1635 . 1 . 1 134 134 THR HA H 1 5.448 0.020 . 1 . . . . . 134 THR HA . 17390 1 1636 . 1 . 1 134 134 THR HB H 1 4.161 0.020 . 1 . . . . . 134 THR HB . 17390 1 1637 . 1 . 1 134 134 THR HG21 H 1 1.303 0.020 . 1 . . . . . 134 THR HG2 . 17390 1 1638 . 1 . 1 134 134 THR HG22 H 1 1.303 0.020 . 1 . . . . . 134 THR HG2 . 17390 1 1639 . 1 . 1 134 134 THR HG23 H 1 1.303 0.020 . 1 . . . . . 134 THR HG2 . 17390 1 1640 . 1 . 1 134 134 THR CA C 13 59.402 0.400 . 1 . . . . . 134 THR CA . 17390 1 1641 . 1 . 1 134 134 THR CB C 13 69.719 0.400 . 1 . . . . . 134 THR CB . 17390 1 1642 . 1 . 1 134 134 THR CG2 C 13 21.913 0.400 . 1 . . . . . 134 THR CG2 . 17390 1 1643 . 1 . 1 134 134 THR N N 15 115.746 0.400 . 1 . . . . . 134 THR N . 17390 1 1644 . 1 . 1 135 135 VAL H H 1 8.619 0.020 . 1 . . . . . 135 VAL H . 17390 1 1645 . 1 . 1 135 135 VAL HA H 1 4.863 0.020 . 1 . . . . . 135 VAL HA . 17390 1 1646 . 1 . 1 135 135 VAL HB H 1 2.214 0.020 . 1 . . . . . 135 VAL HB . 17390 1 1647 . 1 . 1 135 135 VAL HG11 H 1 0.707 0.020 . 2 . . . . . 135 VAL HG1 . 17390 1 1648 . 1 . 1 135 135 VAL HG12 H 1 0.707 0.020 . 2 . . . . . 135 VAL HG1 . 17390 1 1649 . 1 . 1 135 135 VAL HG13 H 1 0.707 0.020 . 2 . . . . . 135 VAL HG1 . 17390 1 1650 . 1 . 1 135 135 VAL HG21 H 1 0.819 0.020 . 2 . . . . . 135 VAL HG2 . 17390 1 1651 . 1 . 1 135 135 VAL HG22 H 1 0.819 0.020 . 2 . . . . . 135 VAL HG2 . 17390 1 1652 . 1 . 1 135 135 VAL HG23 H 1 0.819 0.020 . 2 . . . . . 135 VAL HG2 . 17390 1 1653 . 1 . 1 135 135 VAL CA C 13 58.403 0.400 . 1 . . . . . 135 VAL CA . 17390 1 1654 . 1 . 1 135 135 VAL CB C 13 35.385 0.400 . 1 . . . . . 135 VAL CB . 17390 1 1655 . 1 . 1 135 135 VAL CG1 C 13 18.795 0.400 . 1 . . . . . 135 VAL CG1 . 17390 1 1656 . 1 . 1 135 135 VAL CG2 C 13 22.594 0.400 . 1 . . . . . 135 VAL CG2 . 17390 1 1657 . 1 . 1 135 135 VAL N N 15 115.465 0.400 . 1 . . . . . 135 VAL N . 17390 1 1658 . 1 . 1 136 136 SER H H 1 9.162 0.020 . 1 . . . . . 136 SER H . 17390 1 1659 . 1 . 1 136 136 SER HA H 1 4.538 0.020 . 1 . . . . . 136 SER HA . 17390 1 1660 . 1 . 1 136 136 SER HB2 H 1 3.929 0.020 . 2 . . . . . 136 SER HB2 . 17390 1 1661 . 1 . 1 136 136 SER HB3 H 1 3.758 0.020 . 2 . . . . . 136 SER HB3 . 17390 1 1662 . 1 . 1 136 136 SER CA C 13 58.534 0.400 . 1 . . . . . 136 SER CA . 17390 1 1663 . 1 . 1 136 136 SER CB C 13 64.948 0.400 . 1 . . . . . 136 SER CB . 17390 1 1664 . 1 . 1 136 136 SER N N 15 117.636 0.400 . 1 . . . . . 136 SER N . 17390 1 1665 . 1 . 1 137 137 ASP H H 1 7.554 0.020 . 1 . . . . . 137 ASP H . 17390 1 1666 . 1 . 1 137 137 ASP HA H 1 4.753 0.020 . 1 . . . . . 137 ASP HA . 17390 1 1667 . 1 . 1 137 137 ASP HB2 H 1 2.931 0.020 . 2 . . . . . 137 ASP HB2 . 17390 1 1668 . 1 . 1 137 137 ASP HB3 H 1 2.819 0.020 . 2 . . . . . 137 ASP HB3 . 17390 1 1669 . 1 . 1 137 137 ASP CA C 13 52.761 0.400 . 1 . . . . . 137 ASP CA . 17390 1 1670 . 1 . 1 137 137 ASP CB C 13 43.264 0.400 . 1 . . . . . 137 ASP CB . 17390 1 1671 . 1 . 1 137 137 ASP N N 15 118.996 0.400 . 1 . . . . . 137 ASP N . 17390 1 1672 . 1 . 1 138 138 LYS H H 1 8.692 0.020 . 1 . . . . . 138 LYS H . 17390 1 1673 . 1 . 1 138 138 LYS HA H 1 3.804 0.020 . 1 . . . . . 138 LYS HA . 17390 1 1674 . 1 . 1 138 138 LYS HB2 H 1 1.815 0.020 . 2 . . . . . 138 LYS HB2 . 17390 1 1675 . 1 . 1 138 138 LYS HB3 H 1 1.812 0.020 . 2 . . . . . 138 LYS HB3 . 17390 1 1676 . 1 . 1 138 138 LYS HG2 H 1 1.393 0.020 . 2 . . . . . 138 LYS HG2 . 17390 1 1677 . 1 . 1 138 138 LYS HG3 H 1 1.369 0.020 . 2 . . . . . 138 LYS HG3 . 17390 1 1678 . 1 . 1 138 138 LYS HD2 H 1 1.614 0.020 . 2 . . . . . 138 LYS HD2 . 17390 1 1679 . 1 . 1 138 138 LYS HD3 H 1 1.610 0.020 . 2 . . . . . 138 LYS HD3 . 17390 1 1680 . 1 . 1 138 138 LYS HE2 H 1 2.942 0.020 . 2 . . . . . 138 LYS HE2 . 17390 1 1681 . 1 . 1 138 138 LYS HE3 H 1 2.936 0.020 . 2 . . . . . 138 LYS HE3 . 17390 1 1682 . 1 . 1 138 138 LYS CA C 13 59.487 0.400 . 1 . . . . . 138 LYS CA . 17390 1 1683 . 1 . 1 138 138 LYS CB C 13 32.101 0.400 . 1 . . . . . 138 LYS CB . 17390 1 1684 . 1 . 1 138 138 LYS CG C 13 23.967 0.400 . 1 . . . . . 138 LYS CG . 17390 1 1685 . 1 . 1 138 138 LYS CD C 13 29.184 0.400 . 1 . . . . . 138 LYS CD . 17390 1 1686 . 1 . 1 138 138 LYS CE C 13 41.788 0.400 . 1 . . . . . 138 LYS CE . 17390 1 1687 . 1 . 1 138 138 LYS N N 15 120.142 0.400 . 1 . . . . . 138 LYS N . 17390 1 1688 . 1 . 1 139 139 GLU H H 1 8.420 0.020 . 1 . . . . . 139 GLU H . 17390 1 1689 . 1 . 1 139 139 GLU HA H 1 4.002 0.020 . 1 . . . . . 139 GLU HA . 17390 1 1690 . 1 . 1 139 139 GLU HB2 H 1 2.152 0.020 . 2 . . . . . 139 GLU HB2 . 17390 1 1691 . 1 . 1 139 139 GLU HB3 H 1 2.021 0.020 . 2 . . . . . 139 GLU HB3 . 17390 1 1692 . 1 . 1 139 139 GLU HG2 H 1 2.326 0.020 . 2 . . . . . 139 GLU HG2 . 17390 1 1693 . 1 . 1 139 139 GLU HG3 H 1 2.329 0.020 . 2 . . . . . 139 GLU HG3 . 17390 1 1694 . 1 . 1 139 139 GLU CA C 13 59.735 0.400 . 1 . . . . . 139 GLU CA . 17390 1 1695 . 1 . 1 139 139 GLU CB C 13 28.211 0.400 . 1 . . . . . 139 GLU CB . 17390 1 1696 . 1 . 1 139 139 GLU CG C 13 36.386 0.400 . 1 . . . . . 139 GLU CG . 17390 1 1697 . 1 . 1 139 139 GLU N N 15 120.303 0.400 . 1 . . . . . 139 GLU N . 17390 1 1698 . 1 . 1 140 140 GLU H H 1 8.411 0.020 . 1 . . . . . 140 GLU H . 17390 1 1699 . 1 . 1 140 140 GLU HA H 1 4.116 0.020 . 1 . . . . . 140 GLU HA . 17390 1 1700 . 1 . 1 140 140 GLU HB2 H 1 2.115 0.020 . 2 . . . . . 140 GLU HB2 . 17390 1 1701 . 1 . 1 140 140 GLU HB3 H 1 2.198 0.020 . 2 . . . . . 140 GLU HB3 . 17390 1 1702 . 1 . 1 140 140 GLU HG2 H 1 2.326 0.020 . 2 . . . . . 140 GLU HG2 . 17390 1 1703 . 1 . 1 140 140 GLU HG3 H 1 2.640 0.020 . 2 . . . . . 140 GLU HG3 . 17390 1 1704 . 1 . 1 140 140 GLU CA C 13 58.646 0.400 . 1 . . . . . 140 GLU CA . 17390 1 1705 . 1 . 1 140 140 GLU CB C 13 30.101 0.400 . 1 . . . . . 140 GLU CB . 17390 1 1706 . 1 . 1 140 140 GLU CG C 13 36.493 0.400 . 1 . . . . . 140 GLU CG . 17390 1 1707 . 1 . 1 140 140 GLU N N 15 120.466 0.400 . 1 . . . . . 140 GLU N . 17390 1 1708 . 1 . 1 141 141 LEU H H 1 7.896 0.020 . 1 . . . . . 141 LEU H . 17390 1 1709 . 1 . 1 141 141 LEU HA H 1 3.849 0.020 . 1 . . . . . 141 LEU HA . 17390 1 1710 . 1 . 1 141 141 LEU HB2 H 1 2.027 0.020 . 2 . . . . . 141 LEU HB2 . 17390 1 1711 . 1 . 1 141 141 LEU HB3 H 1 1.573 0.020 . 2 . . . . . 141 LEU HB3 . 17390 1 1712 . 1 . 1 141 141 LEU HG H 1 1.495 0.020 . 1 . . . . . 141 LEU HG . 17390 1 1713 . 1 . 1 141 141 LEU HD11 H 1 0.787 0.020 . 2 . . . . . 141 LEU HD1 . 17390 1 1714 . 1 . 1 141 141 LEU HD12 H 1 0.787 0.020 . 2 . . . . . 141 LEU HD1 . 17390 1 1715 . 1 . 1 141 141 LEU HD13 H 1 0.787 0.020 . 2 . . . . . 141 LEU HD1 . 17390 1 1716 . 1 . 1 141 141 LEU HD21 H 1 0.767 0.020 . 2 . . . . . 141 LEU HD2 . 17390 1 1717 . 1 . 1 141 141 LEU HD22 H 1 0.767 0.020 . 2 . . . . . 141 LEU HD2 . 17390 1 1718 . 1 . 1 141 141 LEU HD23 H 1 0.767 0.020 . 2 . . . . . 141 LEU HD2 . 17390 1 1719 . 1 . 1 141 141 LEU CA C 13 59.644 0.400 . 1 . . . . . 141 LEU CA . 17390 1 1720 . 1 . 1 141 141 LEU CB C 13 41.775 0.400 . 1 . . . . . 141 LEU CB . 17390 1 1721 . 1 . 1 141 141 LEU CG C 13 28.016 0.400 . 1 . . . . . 141 LEU CG . 17390 1 1722 . 1 . 1 141 141 LEU CD1 C 13 25.300 0.400 . 1 . . . . . 141 LEU CD1 . 17390 1 1723 . 1 . 1 141 141 LEU CD2 C 13 24.909 0.400 . 1 . . . . . 141 LEU CD2 . 17390 1 1724 . 1 . 1 141 141 LEU N N 15 120.662 0.400 . 1 . . . . . 141 LEU N . 17390 1 1725 . 1 . 1 142 142 ILE H H 1 8.506 0.020 . 1 . . . . . 142 ILE H . 17390 1 1726 . 1 . 1 142 142 ILE HA H 1 3.498 0.020 . 1 . . . . . 142 ILE HA . 17390 1 1727 . 1 . 1 142 142 ILE HB H 1 2.027 0.020 . 1 . . . . . 142 ILE HB . 17390 1 1728 . 1 . 1 142 142 ILE HG12 H 1 1.267 0.020 . 2 . . . . . 142 ILE HG12 . 17390 1 1729 . 1 . 1 142 142 ILE HG13 H 1 1.631 0.020 . 2 . . . . . 142 ILE HG13 . 17390 1 1730 . 1 . 1 142 142 ILE HG21 H 1 0.848 0.020 . 1 . . . . . 142 ILE HG2 . 17390 1 1731 . 1 . 1 142 142 ILE HG22 H 1 0.848 0.020 . 1 . . . . . 142 ILE HG2 . 17390 1 1732 . 1 . 1 142 142 ILE HG23 H 1 0.848 0.020 . 1 . . . . . 142 ILE HG2 . 17390 1 1733 . 1 . 1 142 142 ILE HD11 H 1 0.730 0.020 . 1 . . . . . 142 ILE HD1 . 17390 1 1734 . 1 . 1 142 142 ILE HD12 H 1 0.730 0.020 . 1 . . . . . 142 ILE HD1 . 17390 1 1735 . 1 . 1 142 142 ILE HD13 H 1 0.730 0.020 . 1 . . . . . 142 ILE HD1 . 17390 1 1736 . 1 . 1 142 142 ILE CA C 13 63.853 0.400 . 1 . . . . . 142 ILE CA . 17390 1 1737 . 1 . 1 142 142 ILE CB C 13 36.290 0.400 . 1 . . . . . 142 ILE CB . 17390 1 1738 . 1 . 1 142 142 ILE CG1 C 13 28.697 0.400 . 1 . . . . . 142 ILE CG1 . 17390 1 1739 . 1 . 1 142 142 ILE CG2 C 13 17.074 0.400 . 1 . . . . . 142 ILE CG2 . 17390 1 1740 . 1 . 1 142 142 ILE CD1 C 13 11.733 0.400 . 1 . . . . . 142 ILE CD1 . 17390 1 1741 . 1 . 1 142 142 ILE N N 15 119.222 0.400 . 1 . . . . . 142 ILE N . 17390 1 1742 . 1 . 1 143 143 GLU H H 1 7.970 0.020 . 1 . . . . . 143 GLU H . 17390 1 1743 . 1 . 1 143 143 GLU HA H 1 4.107 0.020 . 1 . . . . . 143 GLU HA . 17390 1 1744 . 1 . 1 143 143 GLU HB2 H 1 2.181 0.020 . 2 . . . . . 143 GLU HB2 . 17390 1 1745 . 1 . 1 143 143 GLU HB3 H 1 2.089 0.020 . 2 . . . . . 143 GLU HB3 . 17390 1 1746 . 1 . 1 143 143 GLU HG2 H 1 2.387 0.020 . 2 . . . . . 143 GLU HG2 . 17390 1 1747 . 1 . 1 143 143 GLU HG3 H 1 2.226 0.020 . 2 . . . . . 143 GLU HG3 . 17390 1 1748 . 1 . 1 143 143 GLU CA C 13 59.140 0.400 . 1 . . . . . 143 GLU CA . 17390 1 1749 . 1 . 1 143 143 GLU CB C 13 28.521 0.400 . 1 . . . . . 143 GLU CB . 17390 1 1750 . 1 . 1 143 143 GLU CG C 13 35.240 0.400 . 1 . . . . . 143 GLU CG . 17390 1 1751 . 1 . 1 143 143 GLU N N 15 120.339 0.400 . 1 . . . . . 143 GLU N . 17390 1 1752 . 1 . 1 144 144 GLN H H 1 7.897 0.020 . 1 . . . . . 144 GLN H . 17390 1 1753 . 1 . 1 144 144 GLN HA H 1 4.027 0.020 . 1 . . . . . 144 GLN HA . 17390 1 1754 . 1 . 1 144 144 GLN HB2 H 1 2.315 0.020 . 2 . . . . . 144 GLN HB2 . 17390 1 1755 . 1 . 1 144 144 GLN HB3 H 1 2.316 0.020 . 2 . . . . . 144 GLN HB3 . 17390 1 1756 . 1 . 1 144 144 GLN HG2 H 1 2.157 0.020 . 2 . . . . . 144 GLN HG2 . 17390 1 1757 . 1 . 1 144 144 GLN HG3 H 1 2.748 0.020 . 2 . . . . . 144 GLN HG3 . 17390 1 1758 . 1 . 1 144 144 GLN HE21 H 1 7.653 0.020 . 2 . . . . . 144 GLN HE21 . 17390 1 1759 . 1 . 1 144 144 GLN HE22 H 1 6.883 0.020 . 2 . . . . . 144 GLN HE22 . 17390 1 1760 . 1 . 1 144 144 GLN CA C 13 58.045 0.400 . 1 . . . . . 144 GLN CA . 17390 1 1761 . 1 . 1 144 144 GLN CB C 13 27.436 0.400 . 1 . . . . . 144 GLN CB . 17390 1 1762 . 1 . 1 144 144 GLN CG C 13 33.332 0.400 . 1 . . . . . 144 GLN CG . 17390 1 1763 . 1 . 1 144 144 GLN N N 15 116.514 0.400 . 1 . . . . . 144 GLN N . 17390 1 1764 . 1 . 1 144 144 GLN NE2 N 15 113.007 0.400 . 1 . . . . . 144 GLN NE2 . 17390 1 1765 . 1 . 1 145 145 VAL H H 1 8.096 0.020 . 1 . . . . . 145 VAL H . 17390 1 1766 . 1 . 1 145 145 VAL HA H 1 3.308 0.020 . 1 . . . . . 145 VAL HA . 17390 1 1767 . 1 . 1 145 145 VAL HB H 1 2.268 0.020 . 1 . . . . . 145 VAL HB . 17390 1 1768 . 1 . 1 145 145 VAL HG11 H 1 0.769 0.020 . 2 . . . . . 145 VAL HG1 . 17390 1 1769 . 1 . 1 145 145 VAL HG12 H 1 0.769 0.020 . 2 . . . . . 145 VAL HG1 . 17390 1 1770 . 1 . 1 145 145 VAL HG13 H 1 0.769 0.020 . 2 . . . . . 145 VAL HG1 . 17390 1 1771 . 1 . 1 145 145 VAL HG21 H 1 1.004 0.020 . 2 . . . . . 145 VAL HG2 . 17390 1 1772 . 1 . 1 145 145 VAL HG22 H 1 1.004 0.020 . 2 . . . . . 145 VAL HG2 . 17390 1 1773 . 1 . 1 145 145 VAL HG23 H 1 1.004 0.020 . 2 . . . . . 145 VAL HG2 . 17390 1 1774 . 1 . 1 145 145 VAL CA C 13 66.138 0.400 . 1 . . . . . 145 VAL CA . 17390 1 1775 . 1 . 1 145 145 VAL CB C 13 31.006 0.400 . 1 . . . . . 145 VAL CB . 17390 1 1776 . 1 . 1 145 145 VAL CG1 C 13 21.610 0.400 . 1 . . . . . 145 VAL CG1 . 17390 1 1777 . 1 . 1 145 145 VAL CG2 C 13 22.514 0.400 . 1 . . . . . 145 VAL CG2 . 17390 1 1778 . 1 . 1 145 145 VAL N N 15 119.701 0.400 . 1 . . . . . 145 VAL N . 17390 1 1779 . 1 . 1 146 146 ARG H H 1 8.589 0.020 . 1 . . . . . 146 ARG H . 17390 1 1780 . 1 . 1 146 146 ARG HA H 1 3.758 0.020 . 1 . . . . . 146 ARG HA . 17390 1 1781 . 1 . 1 146 146 ARG HB2 H 1 1.898 0.020 . 2 . . . . . 146 ARG HB2 . 17390 1 1782 . 1 . 1 146 146 ARG HB3 H 1 1.806 0.020 . 2 . . . . . 146 ARG HB3 . 17390 1 1783 . 1 . 1 146 146 ARG HG2 H 1 1.502 0.020 . 2 . . . . . 146 ARG HG2 . 17390 1 1784 . 1 . 1 146 146 ARG HG3 H 1 1.760 0.020 . 2 . . . . . 146 ARG HG3 . 17390 1 1785 . 1 . 1 146 146 ARG HD2 H 1 3.098 0.020 . 2 . . . . . 146 ARG HD2 . 17390 1 1786 . 1 . 1 146 146 ARG HD3 H 1 3.097 0.020 . 2 . . . . . 146 ARG HD3 . 17390 1 1787 . 1 . 1 146 146 ARG HE H 1 7.334 0.020 . 1 . . . . . 146 ARG HE . 17390 1 1788 . 1 . 1 146 146 ARG CA C 13 60.044 0.400 . 1 . . . . . 146 ARG CA . 17390 1 1789 . 1 . 1 146 146 ARG CB C 13 30.056 0.400 . 1 . . . . . 146 ARG CB . 17390 1 1790 . 1 . 1 146 146 ARG CG C 13 27.952 0.400 . 1 . . . . . 146 ARG CG . 17390 1 1791 . 1 . 1 146 146 ARG CD C 13 43.515 0.400 . 1 . . . . . 146 ARG CD . 17390 1 1792 . 1 . 1 146 146 ARG N N 15 119.025 0.400 . 1 . . . . . 146 ARG N . 17390 1 1793 . 1 . 1 146 146 ARG NE N 15 84.779 0.400 . 1 . . . . . 146 ARG NE . 17390 1 1794 . 1 . 1 147 147 ARG H H 1 7.781 0.020 . 1 . . . . . 147 ARG H . 17390 1 1795 . 1 . 1 147 147 ARG HA H 1 3.930 0.020 . 1 . . . . . 147 ARG HA . 17390 1 1796 . 1 . 1 147 147 ARG HB2 H 1 1.874 0.020 . 2 . . . . . 147 ARG HB2 . 17390 1 1797 . 1 . 1 147 147 ARG HB3 H 1 1.817 0.020 . 2 . . . . . 147 ARG HB3 . 17390 1 1798 . 1 . 1 147 147 ARG HG2 H 1 1.542 0.020 . 2 . . . . . 147 ARG HG2 . 17390 1 1799 . 1 . 1 147 147 ARG HG3 H 1 1.866 0.020 . 2 . . . . . 147 ARG HG3 . 17390 1 1800 . 1 . 1 147 147 ARG HD2 H 1 3.105 0.020 . 2 . . . . . 147 ARG HD2 . 17390 1 1801 . 1 . 1 147 147 ARG HD3 H 1 3.205 0.020 . 2 . . . . . 147 ARG HD3 . 17390 1 1802 . 1 . 1 147 147 ARG CA C 13 58.949 0.400 . 1 . . . . . 147 ARG CA . 17390 1 1803 . 1 . 1 147 147 ARG CB C 13 29.959 0.400 . 1 . . . . . 147 ARG CB . 17390 1 1804 . 1 . 1 147 147 ARG CG C 13 27.636 0.400 . 1 . . . . . 147 ARG CG . 17390 1 1805 . 1 . 1 147 147 ARG CD C 13 43.627 0.400 . 1 . . . . . 147 ARG CD . 17390 1 1806 . 1 . 1 147 147 ARG N N 15 116.619 0.400 . 1 . . . . . 147 ARG N . 17390 1 1807 . 1 . 1 148 148 PHE H H 1 7.644 0.020 . 1 . . . . . 148 PHE H . 17390 1 1808 . 1 . 1 148 148 PHE HA H 1 4.124 0.020 . 1 . . . . . 148 PHE HA . 17390 1 1809 . 1 . 1 148 148 PHE HB2 H 1 2.700 0.020 . 2 . . . . . 148 PHE HB2 . 17390 1 1810 . 1 . 1 148 148 PHE HB3 H 1 2.390 0.020 . 2 . . . . . 148 PHE HB3 . 17390 1 1811 . 1 . 1 148 148 PHE HD1 H 1 6.653 0.020 . 1 . . . . . 148 PHE HD1 . 17390 1 1812 . 1 . 1 148 148 PHE HD2 H 1 6.653 0.020 . 1 . . . . . 148 PHE HD2 . 17390 1 1813 . 1 . 1 148 148 PHE HE1 H 1 7.112 0.020 . 1 . . . . . 148 PHE HE1 . 17390 1 1814 . 1 . 1 148 148 PHE HE2 H 1 7.112 0.020 . 1 . . . . . 148 PHE HE2 . 17390 1 1815 . 1 . 1 148 148 PHE HZ H 1 7.168 0.020 . 1 . . . . . 148 PHE HZ . 17390 1 1816 . 1 . 1 148 148 PHE CA C 13 59.772 0.400 . 1 . . . . . 148 PHE CA . 17390 1 1817 . 1 . 1 148 148 PHE CB C 13 38.813 0.400 . 1 . . . . . 148 PHE CB . 17390 1 1818 . 1 . 1 148 148 PHE CD1 C 13 131.260 0.400 . 1 . . . . . 148 PHE CD1 . 17390 1 1819 . 1 . 1 148 148 PHE CD2 C 13 131.330 0.400 . 1 . . . . . 148 PHE CD2 . 17390 1 1820 . 1 . 1 148 148 PHE CE1 C 13 131.247 0.400 . 1 . . . . . 148 PHE CE1 . 17390 1 1821 . 1 . 1 148 148 PHE CE2 C 13 131.211 0.400 . 1 . . . . . 148 PHE CE2 . 17390 1 1822 . 1 . 1 148 148 PHE CZ C 13 129.389 0.400 . 1 . . . . . 148 PHE CZ . 17390 1 1823 . 1 . 1 148 148 PHE N N 15 118.741 0.400 . 1 . . . . . 148 PHE N . 17390 1 1824 . 1 . 1 149 149 VAL H H 1 8.282 0.020 . 1 . . . . . 149 VAL H . 17390 1 1825 . 1 . 1 149 149 VAL HA H 1 3.458 0.020 . 1 . . . . . 149 VAL HA . 17390 1 1826 . 1 . 1 149 149 VAL HB H 1 2.076 0.020 . 1 . . . . . 149 VAL HB . 17390 1 1827 . 1 . 1 149 149 VAL HG11 H 1 0.928 0.020 . 2 . . . . . 149 VAL HG1 . 17390 1 1828 . 1 . 1 149 149 VAL HG12 H 1 0.928 0.020 . 2 . . . . . 149 VAL HG1 . 17390 1 1829 . 1 . 1 149 149 VAL HG13 H 1 0.928 0.020 . 2 . . . . . 149 VAL HG1 . 17390 1 1830 . 1 . 1 149 149 VAL HG21 H 1 0.881 0.020 . 2 . . . . . 149 VAL HG2 . 17390 1 1831 . 1 . 1 149 149 VAL HG22 H 1 0.881 0.020 . 2 . . . . . 149 VAL HG2 . 17390 1 1832 . 1 . 1 149 149 VAL HG23 H 1 0.881 0.020 . 2 . . . . . 149 VAL HG2 . 17390 1 1833 . 1 . 1 149 149 VAL CA C 13 65.281 0.400 . 1 . . . . . 149 VAL CA . 17390 1 1834 . 1 . 1 149 149 VAL CB C 13 31.149 0.400 . 1 . . . . . 149 VAL CB . 17390 1 1835 . 1 . 1 149 149 VAL CG1 C 13 22.511 0.400 . 1 . . . . . 149 VAL CG1 . 17390 1 1836 . 1 . 1 149 149 VAL CG2 C 13 21.796 0.400 . 1 . . . . . 149 VAL CG2 . 17390 1 1837 . 1 . 1 149 149 VAL N N 15 117.620 0.400 . 1 . . . . . 149 VAL N . 17390 1 1838 . 1 . 1 150 150 ARG H H 1 7.670 0.020 . 1 . . . . . 150 ARG H . 17390 1 1839 . 1 . 1 150 150 ARG HA H 1 4.084 0.020 . 1 . . . . . 150 ARG HA . 17390 1 1840 . 1 . 1 150 150 ARG HB2 H 1 1.852 0.020 . 2 . . . . . 150 ARG HB2 . 17390 1 1841 . 1 . 1 150 150 ARG HB3 H 1 1.798 0.020 . 2 . . . . . 150 ARG HB3 . 17390 1 1842 . 1 . 1 150 150 ARG HG2 H 1 1.607 0.020 . 2 . . . . . 150 ARG HG2 . 17390 1 1843 . 1 . 1 150 150 ARG HG3 H 1 1.728 0.020 . 2 . . . . . 150 ARG HG3 . 17390 1 1844 . 1 . 1 150 150 ARG HD2 H 1 3.154 0.020 . 2 . . . . . 150 ARG HD2 . 17390 1 1845 . 1 . 1 150 150 ARG HD3 H 1 3.150 0.020 . 2 . . . . . 150 ARG HD3 . 17390 1 1846 . 1 . 1 150 150 ARG CA C 13 57.830 0.400 . 1 . . . . . 150 ARG CA . 17390 1 1847 . 1 . 1 150 150 ARG CB C 13 29.768 0.400 . 1 . . . . . 150 ARG CB . 17390 1 1848 . 1 . 1 150 150 ARG CG C 13 27.218 0.400 . 1 . . . . . 150 ARG CG . 17390 1 1849 . 1 . 1 150 150 ARG CD C 13 43.427 0.400 . 1 . . . . . 150 ARG CD . 17390 1 1850 . 1 . 1 150 150 ARG N N 15 118.509 0.400 . 1 . . . . . 150 ARG N . 17390 1 1851 . 1 . 1 151 151 LYS H H 1 7.535 0.020 . 1 . . . . . 151 LYS H . 17390 1 1852 . 1 . 1 151 151 LYS HA H 1 4.131 0.020 . 1 . . . . . 151 LYS HA . 17390 1 1853 . 1 . 1 151 151 LYS HB2 H 1 1.818 0.020 . 2 . . . . . 151 LYS HB2 . 17390 1 1854 . 1 . 1 151 151 LYS HB3 H 1 1.747 0.020 . 2 . . . . . 151 LYS HB3 . 17390 1 1855 . 1 . 1 151 151 LYS HG2 H 1 1.398 0.020 . 2 . . . . . 151 LYS HG2 . 17390 1 1856 . 1 . 1 151 151 LYS HG3 H 1 1.311 0.020 . 2 . . . . . 151 LYS HG3 . 17390 1 1857 . 1 . 1 151 151 LYS HD2 H 1 1.582 0.020 . 2 . . . . . 151 LYS HD2 . 17390 1 1858 . 1 . 1 151 151 LYS HD3 H 1 1.581 0.020 . 2 . . . . . 151 LYS HD3 . 17390 1 1859 . 1 . 1 151 151 LYS HE2 H 1 2.903 0.020 . 2 . . . . . 151 LYS HE2 . 17390 1 1860 . 1 . 1 151 151 LYS HE3 H 1 2.902 0.020 . 2 . . . . . 151 LYS HE3 . 17390 1 1861 . 1 . 1 151 151 LYS CA C 13 57.236 0.400 . 1 . . . . . 151 LYS CA . 17390 1 1862 . 1 . 1 151 151 LYS CB C 13 32.097 0.400 . 1 . . . . . 151 LYS CB . 17390 1 1863 . 1 . 1 151 151 LYS CG C 13 24.560 0.400 . 1 . . . . . 151 LYS CG . 17390 1 1864 . 1 . 1 151 151 LYS CD C 13 29.004 0.400 . 1 . . . . . 151 LYS CD . 17390 1 1865 . 1 . 1 151 151 LYS CE C 13 41.853 0.400 . 1 . . . . . 151 LYS CE . 17390 1 1866 . 1 . 1 151 151 LYS N N 15 118.830 0.400 . 1 . . . . . 151 LYS N . 17390 1 1867 . 1 . 1 152 152 VAL H H 1 7.624 0.020 . 1 . . . . . 152 VAL H . 17390 1 1868 . 1 . 1 152 152 VAL HA H 1 3.841 0.020 . 1 . . . . . 152 VAL HA . 17390 1 1869 . 1 . 1 152 152 VAL HB H 1 1.926 0.020 . 1 . . . . . 152 VAL HB . 17390 1 1870 . 1 . 1 152 152 VAL HG11 H 1 0.710 0.020 . 2 . . . . . 152 VAL HG1 . 17390 1 1871 . 1 . 1 152 152 VAL HG12 H 1 0.710 0.020 . 2 . . . . . 152 VAL HG1 . 17390 1 1872 . 1 . 1 152 152 VAL HG13 H 1 0.710 0.020 . 2 . . . . . 152 VAL HG1 . 17390 1 1873 . 1 . 1 152 152 VAL HG21 H 1 0.808 0.020 . 2 . . . . . 152 VAL HG2 . 17390 1 1874 . 1 . 1 152 152 VAL HG22 H 1 0.808 0.020 . 2 . . . . . 152 VAL HG2 . 17390 1 1875 . 1 . 1 152 152 VAL HG23 H 1 0.808 0.020 . 2 . . . . . 152 VAL HG2 . 17390 1 1876 . 1 . 1 152 152 VAL CA C 13 63.638 0.400 . 1 . . . . . 152 VAL CA . 17390 1 1877 . 1 . 1 152 152 VAL CB C 13 31.751 0.400 . 1 . . . . . 152 VAL CB . 17390 1 1878 . 1 . 1 152 152 VAL CG1 C 13 21.275 0.400 . 1 . . . . . 152 VAL CG1 . 17390 1 1879 . 1 . 1 152 152 VAL CG2 C 13 21.353 0.400 . 1 . . . . . 152 VAL CG2 . 17390 1 1880 . 1 . 1 152 152 VAL N N 15 118.547 0.400 . 1 . . . . . 152 VAL N . 17390 1 1881 . 1 . 1 153 153 GLY H H 1 8.286 0.020 . 1 . . . . . 153 GLY H . 17390 1 1882 . 1 . 1 153 153 GLY HA2 H 1 3.958 0.020 . 2 . . . . . 153 GLY HA2 . 17390 1 1883 . 1 . 1 153 153 GLY HA3 H 1 3.959 0.020 . 2 . . . . . 153 GLY HA3 . 17390 1 1884 . 1 . 1 153 153 GLY CA C 13 45.317 0.400 . 1 . . . . . 153 GLY CA . 17390 1 1885 . 1 . 1 153 153 GLY N N 15 110.274 0.400 . 1 . . . . . 153 GLY N . 17390 1 1886 . 1 . 1 154 154 SER H H 1 7.894 0.020 . 1 . . . . . 154 SER H . 17390 1 1887 . 1 . 1 154 154 SER HA H 1 4.464 0.020 . 1 . . . . . 154 SER HA . 17390 1 1888 . 1 . 1 154 154 SER HB2 H 1 3.957 0.020 . 2 . . . . . 154 SER HB2 . 17390 1 1889 . 1 . 1 154 154 SER HB3 H 1 3.900 0.020 . 2 . . . . . 154 SER HB3 . 17390 1 1890 . 1 . 1 154 154 SER CA C 13 58.291 0.400 . 1 . . . . . 154 SER CA . 17390 1 1891 . 1 . 1 154 154 SER CB C 13 63.758 0.400 . 1 . . . . . 154 SER CB . 17390 1 1892 . 1 . 1 154 154 SER N N 15 114.698 0.400 . 1 . . . . . 154 SER N . 17390 1 1893 . 1 . 1 155 155 LEU H H 1 8.148 0.020 . 1 . . . . . 155 LEU H . 17390 1 1894 . 1 . 1 155 155 LEU HA H 1 4.294 0.020 . 1 . . . . . 155 LEU HA . 17390 1 1895 . 1 . 1 155 155 LEU HB2 H 1 1.671 0.020 . 2 . . . . . 155 LEU HB2 . 17390 1 1896 . 1 . 1 155 155 LEU HB3 H 1 1.550 0.020 . 2 . . . . . 155 LEU HB3 . 17390 1 1897 . 1 . 1 155 155 LEU HG H 1 1.674 0.020 . 1 . . . . . 155 LEU HG . 17390 1 1898 . 1 . 1 155 155 LEU HD11 H 1 0.922 0.020 . 2 . . . . . 155 LEU HD1 . 17390 1 1899 . 1 . 1 155 155 LEU HD12 H 1 0.922 0.020 . 2 . . . . . 155 LEU HD1 . 17390 1 1900 . 1 . 1 155 155 LEU HD13 H 1 0.922 0.020 . 2 . . . . . 155 LEU HD1 . 17390 1 1901 . 1 . 1 155 155 LEU HD21 H 1 0.863 0.020 . 2 . . . . . 155 LEU HD2 . 17390 1 1902 . 1 . 1 155 155 LEU HD22 H 1 0.863 0.020 . 2 . . . . . 155 LEU HD2 . 17390 1 1903 . 1 . 1 155 155 LEU HD23 H 1 0.863 0.020 . 2 . . . . . 155 LEU HD2 . 17390 1 1904 . 1 . 1 155 155 LEU CA C 13 55.426 0.400 . 1 . . . . . 155 LEU CA . 17390 1 1905 . 1 . 1 155 155 LEU CB C 13 41.811 0.400 . 1 . . . . . 155 LEU CB . 17390 1 1906 . 1 . 1 155 155 LEU CG C 13 26.668 0.400 . 1 . . . . . 155 LEU CG . 17390 1 1907 . 1 . 1 155 155 LEU CD1 C 13 24.778 0.400 . 1 . . . . . 155 LEU CD1 . 17390 1 1908 . 1 . 1 155 155 LEU CD2 C 13 23.225 0.400 . 1 . . . . . 155 LEU CD2 . 17390 1 1909 . 1 . 1 155 155 LEU N N 15 123.456 0.400 . 1 . . . . . 155 LEU N . 17390 1 1910 . 1 . 1 156 156 GLU H H 1 8.219 0.020 . 1 . . . . . 156 GLU H . 17390 1 1911 . 1 . 1 156 156 GLU HA H 1 4.178 0.020 . 1 . . . . . 156 GLU HA . 17390 1 1912 . 1 . 1 156 156 GLU HB2 H 1 1.891 0.020 . 2 . . . . . 156 GLU HB2 . 17390 1 1913 . 1 . 1 156 156 GLU HB3 H 1 1.904 0.020 . 2 . . . . . 156 GLU HB3 . 17390 1 1914 . 1 . 1 156 156 GLU HG2 H 1 2.149 0.020 . 2 . . . . . 156 GLU HG2 . 17390 1 1915 . 1 . 1 156 156 GLU HG3 H 1 2.213 0.020 . 2 . . . . . 156 GLU HG3 . 17390 1 1916 . 1 . 1 156 156 GLU CA C 13 56.568 0.400 . 1 . . . . . 156 GLU CA . 17390 1 1917 . 1 . 1 156 156 GLU CB C 13 29.950 0.400 . 1 . . . . . 156 GLU CB . 17390 1 1918 . 1 . 1 156 156 GLU CG C 13 35.839 0.400 . 1 . . . . . 156 GLU CG . 17390 1 1919 . 1 . 1 156 156 GLU N N 15 120.155 0.400 . 1 . . . . . 156 GLU N . 17390 1 1920 . 1 . 1 157 157 HIS H H 1 8.208 0.020 . 1 . . . . . 157 HIS H . 17390 1 1921 . 1 . 1 157 157 HIS HA H 1 4.573 0.020 . 1 . . . . . 157 HIS HA . 17390 1 1922 . 1 . 1 157 157 HIS HB2 H 1 3.089 0.020 . 2 . . . . . 157 HIS HB2 . 17390 1 1923 . 1 . 1 157 157 HIS HB3 H 1 3.088 0.020 . 2 . . . . . 157 HIS HB3 . 17390 1 1924 . 1 . 1 157 157 HIS HD2 H 1 7.129 0.020 . 1 . . . . . 157 HIS HD2 . 17390 1 1925 . 1 . 1 157 157 HIS HE1 H 1 8.080 0.020 . 1 . . . . . 157 HIS HE1 . 17390 1 1926 . 1 . 1 157 157 HIS CA C 13 55.735 0.400 . 1 . . . . . 157 HIS CA . 17390 1 1927 . 1 . 1 157 157 HIS CB C 13 29.853 0.400 . 1 . . . . . 157 HIS CB . 17390 1 1928 . 1 . 1 157 157 HIS CD2 C 13 119.840 0.400 . 1 . . . . . 157 HIS CD2 . 17390 1 1929 . 1 . 1 157 157 HIS N N 15 119.332 0.400 . 1 . . . . . 157 HIS N . 17390 1 1930 . 1 . 1 158 158 HIS H H 1 8.068 0.020 . 1 . . . . . 158 HIS H . 17390 1 1931 . 1 . 1 158 158 HIS HA H 1 4.424 0.020 . 1 . . . . . 158 HIS HA . 17390 1 1932 . 1 . 1 158 158 HIS HB2 H 1 3.082 0.020 . 2 . . . . . 158 HIS HB2 . 17390 1 1933 . 1 . 1 158 158 HIS HB3 H 1 3.206 0.020 . 2 . . . . . 158 HIS HB3 . 17390 1 1934 . 1 . 1 158 158 HIS HD2 H 1 7.009 0.020 . 1 . . . . . 158 HIS HD2 . 17390 1 1935 . 1 . 1 158 158 HIS CA C 13 57.002 0.400 . 1 . . . . . 158 HIS CA . 17390 1 1936 . 1 . 1 158 158 HIS CB C 13 30.000 0.400 . 1 . . . . . 158 HIS CB . 17390 1 1937 . 1 . 1 158 158 HIS CD2 C 13 119.840 0.400 . 1 . . . . . 158 HIS CD2 . 17390 1 1938 . 1 . 1 158 158 HIS N N 15 125.232 0.400 . 1 . . . . . 158 HIS N . 17390 1 stop_ save_